A0A087XFP6_POEFO Loading...

Cytosolic carboxypeptidase 6

Metallocarboxypeptidase that mediates protein deglutamylation of tubulin and non-tubulin target proteins. Catalyzes the removal of polyglutamate side chains present on the gamma-carboxyl group of glutamate residues within the C-terminal tail of tubulin protein. Specifically cleaves tubulin long-side-chains, while it is not able to remove the branching point glutamate. Also catalyzes the removal of polyglutamate residues from the carboxy-terminus of non-tubulin proteins such as MYLK. Mediates the deglutamylation of nucleotidyltransferase CGAS, leading to CGAS antiviral defense response activation. Involved in KLF4 deglutamylation which promotes KLF4 proteasome-mediated degradation, thereby negatively regulating cell pluripotency maintenance and embryogenesis.

AlphaFold DB , UniProt , Accession A0A087XFP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 493 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	28.8	Very low	239 Å²	239	186.6 Å²	186.6	100%	1.177	87%	0.873	S	S	*	*				0	72.5	0	-69.6	-177.5	-173.7	0	0	106.3
2	E	29.8	Very low	29.1	Very low	186 Å²	186	179.1 Å²	179.1	87%	0.869	87%	0.866	S	S	*	*				45.7	128.3	68.2	-88.3	-169.4	174.5	0	0	115.3
3	R	28.1	Very low	29.5	Very low	233 Å²	233	176.4 Å²	176.4	88%	0.879	86%	0.856	S	S	*	*			trans	102.6	126.1	176.5	-63	177.3	-176.6	-171.9	2.5	113.8
4	K	27.6	Very low	29.4	Very low	185 Å²	185	178.1 Å²	178.1	80%	0.804	86%	0.857	S	S	*	*			cis	-166.6	114.7	-2.1	-100	176.5	171.5	-170.5	0	103.6
5	M	26.3	Very low	29.4	Very low	164 Å²	164	176.3 Å²	176.3	81%	0.808	86%	0.862	S	S	*	*				32.3	120.7	93.2	-98.8	175.8	168.1	0	0	117.9
6	E	27.9	Very low	29.6	Very low	164 Å²	164	176.7 Å²	176.7	77%	0.766	86%	0.862	S	S	*	*			trans	66.8	111.4	147	-67.6	172.4	167.1	0	0	119.7
7	E	26.1	Very low	29.7	Very low	186 Å²	186	175.2 Å²	175.2	87%	0.869	86%	0.858	S	S	*	*			trans	-177.2	110.9	138.3	-106.3	170.9	-171.5	0	0	111.8
8	N	27.5	Very low	29.7	Very low	155 Å²	155	176.3 Å²	176.3	83%	0.829	86%	0.862	S	S	*	*			trans	152.1	53.1	141.1	-86.6	-36.8	0	0	0	113.5
9	T	28.6	Very low	30.1	Very low	143 Å²	143	172.2 Å²	172.2	88%	0.877	86%	0.859	S	S	*	*			trans	-114.1	34	163.8	-6.2	0	0	0	0	111.5
10	D	28	Very low	30.2	Very low	139 Å²	139	166.2 Å²	166.2	74%	0.743	84%	0.843	S	S	*	*			trans	-130.1	58.8	-170.6	-107.2	-14.2	0	0	0	114.2
11	R	29.7	Very low	30.3	Very low	259 Å²	259	161.7 Å²	161.7	98%	0.977	84%	0.837	S	S	*	*	S	Bend	trans	-135.4	18.1	164.3	-91.2	-166.7	179.3	179.8	0.8	115.8
12	A	32	Very low	30.6	Very low	96 Å²	96	157.7 Å²	157.7	79%	0.793	82%	0.816	S	S	*	*	S	Bend	trans	-119.1	1.1	178.4	0	0	0	0	0	115.3
13	I	33.9	Very low	31.2	Very low	144 Å²	144	155.4 Å²	155.4	74%	0.738	81%	0.805	S	S	*	*			trans	-133.6	91.5	-177.9	-52.8	176.3	0	0	0	109
14	K	28.7	Very low	32	Very low	200 Å²	200	149.7 Å²	149.7	87%	0.87	80%	0.801	S	S	*	*			trans	-179.3	81.7	151.8	-103.4	168.9	-173	178.6	0	109.3
15	T	30.1	Very low	33.4	Very low	152 Å²	152	143.2 Å²	143.2	93%	0.933	78%	0.775	S	S	*	*			trans	-156.6	57.3	149.9	-6.7	0	0	0	0	108.6
16	E	32.2	Very low	35.2	Very low	182 Å²	182	137.6 Å²	137.6	85%	0.85	76%	0.759	S	S	*	*			trans	-116.2	124.5	158.1	-83	-173.8	169.8	0	0	107.9
17	N	31.3	Very low	38.1	Very low	151 Å²	151	132.4 Å²	132.4	81%	0.807	75%	0.749	S	S	*	*			trans	121	80.1	162.4	-69.2	-15.3	0	0	0	114.4
18	E	29.4	Very low	41.4	Very low	196 Å²	196	125.2 Å²	125.2	92%	0.916	72%	0.717	S	S	*	*				-153.8	68.2	126.6	-104.6	174.3	-156.6	0	0	107	G20	E18-G20 PolarHBondContact O-N 3.42Å
19	A	37.7	Very low	44.7	Very low	98 Å²	98	118.3 Å²	118.3	81%	0.81	68%	0.68	S	S	*	*			trans	-74.2	73	168.8	0	0	0	0	0	108.9	G21	A19-G21 PolarHBondContact O-N 3.39Å; A19-G21 VanDerWaalsContact O-N 3.16Å
20	G	31.3	Very low	48	Very low	52 Å²	52	116.9 Å²	116.9	54%	0.536	67%	0.667	S	S	.	*			trans	-71.1	98.5	162.6	0	0	0	0	0	108.8	E18 E22	E18-G20 PolarHBondContact O-N 3.42Å; G20-E22 PolarHBondContact O-N 2.65Å
21	G	33.3	Very low	51.3	Low	71 Å²	71	114.9 Å²	114.9	73%	0.732	65%	0.652	S	S	*	*			trans	42.1	59.5	161.6	0	0	0	0	0	116.4	A19 E23	A19-G21 PolarHBondContact O-N 3.39Å; A19-G21 VanDerWaalsContact O-N 3.16Å; G21-E23 PolarHBondContact O-N 2.85Å
22	E	42.5	Very low	54.6	Low	156 Å²	156	105.5 Å²	105.5	73%	0.729	62%	0.621	S	S	*	*			trans	-71.9	89.6	152.6	-79	-166.7	165.5	0	0	106.4	G20 S24	G20-E22 PolarHBondContact O-N 2.65Å; E22-S24 PolarHBondContact O-N 3.35Å
23	E	43.9	Very low	57.7	Low	138 Å²	138	103.8 Å²	103.8	65%	0.645	60%	0.601	S	S	*	*			trans	-47	120.7	151.5	-84.8	-178.1	155.4	0	0	105.7	G21 L25 R61	G21-E23 PolarHBondContact O-N 2.85Å; E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 PolarHBondContact O-N 3.4Å; E23-R61 IonicContact OE2-CZ 3.14Å; E23-R61 IonicContact OE2-NH1 2.71Å; E23-R61 PolarHBondContact OE2-NH1 3.43Å
24	S	44.1	Very low	60.6	Low	113 Å²	113	97.9 Å²	97.9	79%	0.79	57%	0.57	S	S	*	*			trans	-51.4	104.3	174.4	56	0	0	0	0	106.7	E22 G26	E22-S24 PolarHBondContact O-N 3.35Å; S24-G26 PolarHBondContact O-N 3.1Å
25	L	57.3	Low	63.7	Low	49 Å²	49	90.8 Å²	90.8	26%	0.257	54%	0.544	S	S	.	.			trans	-52	111.2	173.3	-82.6	160.9	0	0	0	104.9	E23 R61 F73	E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 PolarHBondContact O-N 3.4Å; L25-R61 HydrophobicContact CD2-CB 3.42Å; L25-R61 VanDerWaalsContact CD2-CB 3.42Å; L25-R61 HydrophobicContact CD2-CG 4.36Å; L25-F73 HydrophobicContact CD2-CB 3.88Å
26	G	64.6	Low	66.6	Low	45 Å²	45	85.4 Å²	85.4	46%	0.464	51%	0.512	S	S	.	.			trans	-63.7	-164.5	-175.3	0	0	0	0	0	111.2	S24	S24-G26 PolarHBondContact O-N 3.1Å
27	G	87.3	Confident	69.3	Low	55 Å²	55	81.7 Å²	81.7	57%	0.567	50%	0.503	S	S	*	.	S	Bend	trans	-58	-168.2	166.4	0	0	0	0	0	112.4
28	N	96.5	Very high	72.1	Confident	35 Å²	35	79.5 Å²	79.5	19%	0.187	51%	0.506	C	S	.	.	S	Bend	trans	-61.6	149.9	173.1	-72.4	-19.4	0	0	0	111.1	N30 A52 G57 L59 R75	N28-N30 PolarHBondContact O-N 3.06Å; N28-A52 HydrophobicContact CB-CB 3.88Å; N28-A52 WeakPolarHBondContact CB-O 3.48Å; N28-A52 PolarHBondContact ND2-O 3.48Å; N28-G57 PolarHBondContact ND2-O 3.25Å; N28-L59 CarbonylContact C-O 3.56Å; N28-L59 VanDerWaalsContact CA-O 3.28Å; N28-L59 WeakPolarHBondContact CA-O 3.34Å; N28-R75 WeakPolarHBondContact OD1-CD 3.32Å; N28-R75 PolarHBondContact OD1-NE 3.46Å; N28-R75 VanDerWaalsContact OD1-NE 3.11Å
29	V	97.4	Very high	75.1	Confident	11 Å²	11	73 Å²	73	7%	0.067	47%	0.474	C	S	.	.			trans	-59.6	137.2	168.8	-60.9	0	0	0	0	109.7	L32 F50 A52 L59 V62	V29-L32 HydrophobicContact CB-CB 4.02Å; V29-L32 HydrophobicContact CB-CD2 4.25Å; V29-L32 HydrophobicContact CG1-CB 4.49Å; V29-L32 HydrophobicContact CG1-CD2 3.8Å; V29-F50 HydrophobicContact CG2-CB 4.09Å; V29-A52 HydrophobicContact CG2-CB 4.18Å; V29-A52 PolarHBondContact O-N 3.5Å; V29-L59 HydrophobicContact CG2-CB 4.13Å; V29-L59 HydrophobicContact CG2-CD2 3.94Å; V29-L59 HydrophobicContact CG2-CG 4.05Å; V29-L59 PolarHBondContact N-O 2.68Å; V29-V62 HydrophobicContact CG1-CG2 4.48Å
30	N	97.5	Very high	77.6	Confident	113 Å²	113	75 Å²	75	60%	0.604	48%	0.476	S	S	*	.			trans	-123.7	105.8	-178.2	-174.2	-7	0	0	0	109	N28 L32 D51 C53	N28-N30 PolarHBondContact O-N 3.06Å; N30-L32 PolarHBondContact O-N 3.23Å; N30-D51 WeakPolarHBondContact CA-OD1 3.43Å; N30-C53 HydrophobicContact CB-CB 4.31Å
31	K	97.4	Very high	80.6	Confident	97 Å²	97	74.3 Å²	74.3	42%	0.422	47%	0.469	S	S	.	.	S	Bend	trans	41.9	43.2	-177	-62.3	-66.4	-175.5	177.8	0	113	T33 I49 F50 D51 E92	K31-T33 PolarHBondContact O-N 3.31Å; K31-T33 VanDerWaalsContact O-N 3.15Å; K31-I49 HydrophobicContact CB-CG2 4.19Å; K31-I49 HydrophobicContact CD-CG2 4.1Å; K31-F50 CarbonylContact C-O 3.58Å; K31-F50 WeakPolarHBondContact CA-O 3.49Å; K31-F50 PolarHBondContact N-O 3.42Å; K31-D51 HydrophobicContact CD-CB 4.16Å; K31-D51 PolarHBondContact N-OD1 3.19Å; K31-E92 WeakPolarHBondContact CD-OE1 3.32Å; K31-E92 IonicContact NZ-OE1 3.82Å; K31-E92 PolarHBondContact NZ-OE1 3.44Å; K31-E92 IonicContact NZ-OE2 2.74Å; K31-E92 PolarHBondContact NZ-OE2 3.41Å
32	L	97.4	Very high	83.5	Confident	61 Å²	61	75.6 Å²	75.6	32%	0.319	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	109.8	-178.1	175.4	64	0	0	0	109.1	V29 N30 I34 I49 F50 V62	V29-L32 HydrophobicContact CB-CB 4.02Å; V29-L32 HydrophobicContact CB-CD2 4.25Å; V29-L32 HydrophobicContact CG1-CB 4.49Å; V29-L32 HydrophobicContact CG1-CD2 3.8Å; N30-L32 PolarHBondContact O-N 3.23Å; L32-I34 HydrophobicContact CD1-CD1 4.41Å; L32-I34 HydrophobicContact CD2-CD1 3.94Å; L32-I34 HydrophobicContact CG-CD1 3.89Å; L32-I34 HydrophobicContact CG-CG1 4.49Å; L32-I49 CarbonylContact O-C 3.59Å; L32-I49 WeakPolarHBondContact O-CA 3.3Å; L32-F50 PolarHBondContact N-O 3.09Å; L32-F50 PolarHBondContact O-N 3.42Å; L32-V62 HydrophobicContact CD2-CB 4.02Å; L32-V62 HydrophobicContact CD2-CG2 4.28Å
33	T	97.1	Very high	85.9	Confident	61 Å²	61	72.5 Å²	72.5	37%	0.374	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.4	176	-57.6	0	0	0	0	109.5	K31 T35 L43 I49	K31-T33 PolarHBondContact O-N 3.31Å; K31-T33 VanDerWaalsContact O-N 3.15Å; T33-T35 HydrophobicContact CG2-CG2 4.11Å; T33-L43 HydrophobicContact CG2-CD1 3.48Å; T33-L43 VanDerWaalsContact CG2-CD1 3.48Å; T33-I49 HydrophobicContact CG2-CG1 4.29Å
34	I	95.3	Very high	88.3	Confident	19 Å²	19	73.2 Å²	73.2	10%	0.097	45%	0.449	C	S	.	.			trans	-105.6	121.8	174.4	-57.7	-62.5	0	0	0	109.5	L32 L48 F50 V62 Y64 F70	L32-I34 HydrophobicContact CD1-CD1 4.41Å; L32-I34 HydrophobicContact CD2-CD1 3.94Å; L32-I34 HydrophobicContact CG-CD1 3.89Å; L32-I34 HydrophobicContact CG-CG1 4.49Å; I34-L48 PolarHBondContact N-O 2.95Å; I34-F50 HydrophobicContact CB-CE2 4.33Å; I34-F50 HydrophobicContact CG1-CD2 3.79Å; I34-F50 HydrophobicContact CG1-CE2 3.74Å; I34-V62 HydrophobicContact CD1-CB 4.2Å; I34-V62 HydrophobicContact CD1-CG1 4.09Å; I34-V62 HydrophobicContact CG1-CB 4.42Å; I34-V62 HydrophobicContact CG1-CG1 3.93Å; I34-Y64 HydrophobicContact CG2-CD2 3.52Å; I34-Y64 HydrophobicContact CG2-CE2 4.49Å; I34-Y64 HydrophobicContact CG2-CG 4.15Å; I34-F70 HydrophobicContact CB-CE1 4.33Å; I34-F70 HydrophobicContact CG2-CD1 4.11Å; I34-F70 HydrophobicContact CG2-CE1 3.73Å
35	T	93.4	Very high	90.7	Very high	52 Å²	52	71.6 Å²	71.6	32%	0.319	43%	0.428	S	S	.	.			trans	-122.6	154.3	174.8	57.8	0	0	0	0	110.5	T33 Y39 H47	T33-T35 HydrophobicContact CG2-CG2 4.11Å; T35-Y39 HydrophobicContact CG2-CD1 4.25Å; T35-H47 HydrophobicContact CG2-CB 4.17Å
36	P	91.4	Very high	92.5	Very high	39 Å²	39	69.9 Å²	69.9	25%	0.253	42%	0.421	S	S	.	.			trans	-53.9	146	173.2	-24.2	33	0	0	0	112	A38 Y39	P36-A38 PolarHBondContact O-N 2.87Å; P36-Y39 WeakPolarHBondContact O-CB 3.29Å; P36-Y39 PolarHBondContact O-N 3.41Å; P36-Y39 VanDerWaalsContact O-N 3.1Å
37	P	90.3	Very high	94	Very high	104 Å²	104	68.9 Å²	68.9	68%	0.675	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	138.5	175.1	-26.2	34	0	0	0	111.5	Y39 Y64	P37-Y39 PolarHBondContact O-N 2.76Å; P37-Y64 VanDerWaalsContact CD-CE1 3.47Å; P37-Y64 HydrophobicContact CG-CD1 4.12Å; P37-Y64 HydrophobicContact CG-CE1 4.39Å
38	A	88.9	Confident	94.5	Very high	104 Å²	104	66.2 Å²	66.2	86%	0.86	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	8.5	-177	0	0	0	0	0	116.6	P36 T40	P36-A38 PolarHBondContact O-N 2.87Å; A38-T40 PolarHBondContact O-N 3.19Å
39	Y	92.3	Very high	94.6	Very high	61 Å²	61	65.5 Å²	65.5	24%	0.239	37%	0.373	C	S	.	.			trans	-70.6	124.8	171	-174.7	-97.1	0	0	0	111.7	T35 P36 P37 G41 P42 R44 H47	T35-Y39 HydrophobicContact CG2-CD1 4.25Å; P36-Y39 WeakPolarHBondContact O-CB 3.29Å; P36-Y39 PolarHBondContact O-N 3.41Å; P36-Y39 VanDerWaalsContact O-N 3.1Å; P37-Y39 PolarHBondContact O-N 2.76Å; Y39-G41 WeakPolarHBondContact CE1-O 3.27Å; Y39-G41 VanDerWaalsContact CZ-CA 3.49Å; Y39-G41 WeakPolarHBondContact OH-CA 3.38Å; Y39-P42 WeakPolarHBondContact CE1-O 3.23Å; Y39-P42 PolarHBondContact OH-O 3.41Å; Y39-R44 WeakPolarHBondContact OH-CD 3.35Å; Y39-R44 PolarHBondContact OH-NE 2.83Å; Y39-H47 AromaticContact CD1-CE1 3.81Å; Y39-H47 AromaticContact CE1-CE1 3.38Å; Y39-H47 WeakPolarHBondContact CE1-CE1 3.48Å; Y39-H47 AromaticContact CZ-CE1 3.55Å
40	T	90.7	Very high	94.6	Very high	140 Å²	140	65 Å²	65	86%	0.859	37%	0.37	S	S	*	.			trans	-121.7	4.7	-178.7	54.7	0	0	0	0	114	A38	A38-T40 PolarHBondContact O-N 3.19Å
41	G	93.6	Very high	94.7	Very high	37 Å²	37	60.2 Å²	60.2	38%	0.381	35%	0.345	S	S	.	.	S	Bend	trans	-79.4	-179.6	179.9	0	0	0	0	0	113.9	Y39	Y39-G41 WeakPolarHBondContact CE1-O 3.27Å; Y39-G41 VanDerWaalsContact CZ-CA 3.49Å; Y39-G41 WeakPolarHBondContact OH-CA 3.38Å
42	P	94.4	Very high	94.7	Very high	98 Å²	98	55.6 Å²	55.6	64%	0.636	32%	0.324	S	S	*	.			trans	-66.3	155.3	173.7	29.4	-35.2	0	0	0	111.4	Y39 R44	Y39-P42 WeakPolarHBondContact CE1-O 3.23Å; Y39-P42 PolarHBondContact OH-O 3.41Å; P42-R44 PolarHBondContact O-N 2.86Å
43	L	94	Very high	94.7	Very high	91 Å²	91	55.8 Å²	55.8	48%	0.476	33%	0.33	S	S	.	.			trans	-56.5	132.1	174.9	-174	68.1	0	0	0	111	T33 H47 I49	T33-L43 HydrophobicContact CG2-CD1 3.48Å; T33-L43 VanDerWaalsContact CG2-CD1 3.48Å; L43-H47 HydrophobicContact CD1-CB 3.49Å; L43-H47 VanDerWaalsContact CD1-CB 3.49Å; L43-I49 HydrophobicContact CD2-CD1 4.05Å
44	R	94.4	Very high	94.8	Very high	152 Å²	152	55.8 Å²	55.8	57%	0.574	33%	0.325	S	S	*	.			trans	-119.4	155.6	178.1	-62.6	-178.9	-178	-178.9	-0.4	110.3	Y39 P42 G46 H47 N93	Y39-R44 WeakPolarHBondContact OH-CD 3.35Å; Y39-R44 PolarHBondContact OH-NE 2.83Å; P42-R44 PolarHBondContact O-N 2.86Å; R44-G46 PolarHBondContact O-N 3.5Å; R44-H47 PolarHBondContact N-ND1 3.33Å; R44-H47 WeakPolarHBondContact O-CB 3.21Å; R44-H47 PolarHBondContact O-N 3.24Å; R44-H47 VanDerWaalsContact O-N 3.09Å; R44-N93 PolarHBondContact O-ND2 3.01Å
45	K	94.6	Very high	94.9	Very high	80 Å²	80	56.5 Å²	56.5	35%	0.348	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	131.4	168.4	-71.8	-72.1	-167.8	171.8	0	109.5	V94 R95 E161 D162	K45-V94 WeakPolarHBondContact CD-O 3.14Å; K45-R95 HydrophobicContact CB-CB 4.28Å; K45-R95 HydrophobicContact CB-CG 4.46Å; K45-E161 HydrophobicContact CD-CB 4.38Å; K45-E161 PolarHBondContact NZ-O 3.35Å; K45-D162 IonicContact NZ-OD1 3.07Å; K45-D162 PolarHBondContact NZ-OD1 2.78Å
46	G	93.6	Very high	95.1	Very high	12 Å²	12	54.2 Å²	54.2	12%	0.124	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	-11.8	-174.7	0	0	0	0	0	114.9	R44 L48 N93 Q98	R44-G46 PolarHBondContact O-N 3.5Å; G46-L48 PolarHBondContact O-N 2.97Å; G46-L48 VanDerWaalsContact O-N 3.11Å; G46-N93 WeakPolarHBondContact CA-O 3.2Å; G46-N93 PolarHBondContact N-O 3.1Å; G46-Q98 VanDerWaalsContact CA-OE1 3.24Å; G46-Q98 PolarHBondContact O-NE2 3.22Å
47	H	95.9	Very high	95.5	Very high	24 Å²	24	52.3 Å²	52.3	11%	0.111	30%	0.302	C	S	.	.	S	Bend	trans	-77.7	92	164.2	-63.4	172.4	0	0	0	108.5	T35 Y39 L43 R44 I49 N93	T35-H47 HydrophobicContact CG2-CB 4.17Å; Y39-H47 AromaticContact CD1-CE1 3.81Å; Y39-H47 AromaticContact CE1-CE1 3.38Å; Y39-H47 WeakPolarHBondContact CE1-CE1 3.48Å; Y39-H47 AromaticContact CZ-CE1 3.55Å; L43-H47 HydrophobicContact CD1-CB 3.49Å; L43-H47 VanDerWaalsContact CD1-CB 3.49Å; R44-H47 PolarHBondContact N-ND1 3.33Å; R44-H47 WeakPolarHBondContact O-CB 3.21Å; R44-H47 PolarHBondContact O-N 3.24Å; R44-H47 VanDerWaalsContact O-N 3.09Å; H47-I49 PolarHBondContact O-N 3.25Å; H47-N93 PolarHBondContact O-ND2 2.58Å
48	L	97.9	Very high	95.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.27	C	S	.	.			trans	-60.6	137.9	-169.7	-60.6	-170.9	0	0	0	111.9	I34 G46 F50 F70 V91 V94 V100 F102 F158	I34-L48 PolarHBondContact N-O 2.95Å; G46-L48 PolarHBondContact O-N 2.97Å; G46-L48 VanDerWaalsContact O-N 3.11Å; L48-F50 HydrophobicContact CB-CD2 4.28Å; L48-F50 HydrophobicContact CB-CE2 3.58Å; L48-F50 HydrophobicContact CB-CZ 4.11Å; L48-F50 HydrophobicContact CD1-CE2 4.21Å; L48-F50 HydrophobicContact CD1-CZ 3.93Å; L48-F70 HydrophobicContact CD1-CD2 4.43Å; L48-F70 HydrophobicContact CD1-CE1 4.28Å; L48-F70 HydrophobicContact CD1-CE2 3.81Å; L48-F70 HydrophobicContact CD1-CZ 3.72Å; L48-F70 HydrophobicContact CG-CZ 4.24Å; L48-V91 HydrophobicContact CB-CG1 4.07Å; L48-V91 HydrophobicContact CD1-CG1 4.06Å; L48-V91 HydrophobicContact CD2-CG1 3.94Å; L48-V91 HydrophobicContact CG-CG1 4.26Å; L48-V94 HydrophobicContact CD2-CB 4.34Å; L48-V94 HydrophobicContact CD2-CG1 3.87Å; L48-V100 HydrophobicContact CD1-CG1 4.11Å; L48-F102 HydrophobicContact CD1-CE1 4.02Å; L48-F102 HydrophobicContact CD1-CZ 3.91Å; L48-F158 HydrophobicContact CD1-CE2 4.36Å; L48-F158 HydrophobicContact CD2-CE2 4.12Å
49	I	98.4	Very high	96.3	Very high	19 Å²	19	42.5 Å²	42.5	10%	0.097	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.3	173.5	-58.6	176.5	0	0	0	108.4	K31 L32 T33 L43 H47 V91 E92 N93	K31-I49 HydrophobicContact CB-CG2 4.19Å; K31-I49 HydrophobicContact CD-CG2 4.1Å; L32-I49 CarbonylContact O-C 3.59Å; L32-I49 WeakPolarHBondContact O-CA 3.3Å; T33-I49 HydrophobicContact CG2-CG1 4.29Å; L43-I49 HydrophobicContact CD2-CD1 4.05Å; H47-I49 PolarHBondContact O-N 3.25Å; I49-V91 CarbonylContact O-C 3.4Å; I49-V91 VanDerWaalsContact O-CA 3.31Å; I49-V91 WeakPolarHBondContact O-CA 3.38Å; I49-E92 HydrophobicContact CB-CG 3.63Å; I49-E92 HydrophobicContact CD1-CG 4.32Å; I49-E92 HydrophobicContact CG1-CG 4.47Å; I49-E92 HydrophobicContact CG2-CG 3.96Å; I49-E92 PolarHBondContact N-O 3.4Å; I49-E92 PolarHBondContact O-N 2.93Å; I49-N93 HydrophobicContact CD1-CB 3.72Å; I49-N93 HydrophobicContact CG1-CB 3.84Å
50	F	98.7	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.4	179.9	-64.3	-100.8	0	0	0	110.9	V29 K31 L32 I34 L48 L59 V62 F70 L72 F89 T90 V91 F102	V29-F50 HydrophobicContact CG2-CB 4.09Å; K31-F50 CarbonylContact C-O 3.58Å; K31-F50 WeakPolarHBondContact CA-O 3.49Å; K31-F50 PolarHBondContact N-O 3.42Å; L32-F50 PolarHBondContact N-O 3.09Å; L32-F50 PolarHBondContact O-N 3.42Å; I34-F50 HydrophobicContact CB-CE2 4.33Å; I34-F50 HydrophobicContact CG1-CD2 3.79Å; I34-F50 HydrophobicContact CG1-CE2 3.74Å; L48-F50 HydrophobicContact CB-CD2 4.28Å; L48-F50 HydrophobicContact CB-CE2 3.58Å; L48-F50 HydrophobicContact CB-CZ 4.11Å; L48-F50 HydrophobicContact CD1-CE2 4.21Å; L48-F50 HydrophobicContact CD1-CZ 3.93Å; F50-L59 HydrophobicContact CB-CD2 4.39Å; F50-L59 HydrophobicContact CD1-CD2 4.02Å; F50-V62 HydrophobicContact CB-CG2 4.15Å; F50-V62 HydrophobicContact CD1-CG2 3.96Å; F50-V62 HydrophobicContact CD2-CB 4.5Å; F50-V62 HydrophobicContact CD2-CG1 4.08Å; F50-V62 HydrophobicContact CD2-CG2 4.24Å; F50-V62 HydrophobicContact CE1-CG1 4.31Å; F50-V62 HydrophobicContact CE1-CG2 4.4Å; F50-V62 HydrophobicContact CE2-CG1 3.8Å; F50-V62 HydrophobicContact CG-CG1 4.45Å; F50-V62 HydrophobicContact CG-CG2 3.86Å; F50-V62 HydrophobicContact CZ-CG1 3.91Å; F50-F70 HydrophobicContact CE2-CD1 4.4Å; F50-F70 HydrophobicContact CZ-CD1 4.28Å; F50-F70 HydrophobicContact CZ-CG 4.41Å; F50-L72 HydrophobicContact CE1-CD2 4Å; F50-F89 HydrophobicContact CD1-CD2 4.15Å; F50-F89 HydrophobicContact CD1-CE2 4.23Å; F50-F89 HydrophobicContact CE1-CE2 4.3Å; F50-T90 WeakPolarHBondContact CA-O 3.29Å; F50-V91 HydrophobicContact CD1-CG2 3.81Å; F50-V91 HydrophobicContact CE1-CG2 3.75Å; F50-F102 HydrophobicContact CE1-CD1 4.36Å; F50-F102 AromaticContact CE1-CE1 3.74Å; F50-F102 HydrophobicContact CE1-CE1 3.74Å; F50-F102 HydrophobicContact CE1-CZ 4.09Å; F50-F102 HydrophobicContact CZ-CD1 4.45Å; F50-F102 AromaticContact CZ-CE1 3.63Å; F50-F102 HydrophobicContact CZ-CE1 3.63Å; F50-F102 HydrophobicContact CZ-CZ 4.16Å
51	D	98.7	Very high	96.9	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.07	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.5	174.1	-171.9	80	0	0	0	111.2	N30 K31 C53 F54 F89 T90	N30-D51 WeakPolarHBondContact CA-OD1 3.43Å; K31-D51 HydrophobicContact CD-CB 4.16Å; K31-D51 PolarHBondContact N-OD1 3.19Å; D51-C53 PolarHBondContact OD2-N 3.4Å; D51-C53 VanDerWaalsContact OD2-N 3.13Å; D51-F54 WeakPolarHBondContact O-CE1 3.45Å; D51-F54 WeakPolarHBondContact OD2-CD1 3.32Å; D51-F89 CarbonylContact O-C 3.57Å; D51-F89 VanDerWaalsContact O-CA 3.31Å; D51-F89 WeakPolarHBondContact O-CA 3.43Å; D51-F89 WeakPolarHBondContact O-CB 3.29Å; D51-T90 WeakPolarHBondContact CB-OG1 3.29Å; D51-T90 PolarHBondContact N-O 3.31Å; D51-T90 PolarHBondContact O-N 2.88Å; D51-T90 PolarHBondContact O-OG1 2.94Å
52	A	98.6	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.			trans	-137.7	17.4	170.5	0	0	0	0	0	111.2	N28 V29 F54 G57 L59 F89	N28-A52 HydrophobicContact CB-CB 3.88Å; N28-A52 WeakPolarHBondContact CB-O 3.48Å; N28-A52 PolarHBondContact ND2-O 3.48Å; V29-A52 HydrophobicContact CG2-CB 4.18Å; V29-A52 PolarHBondContact O-N 3.5Å; A52-F54 PolarHBondContact O-N 2.95Å; A52-G57 WeakPolarHBondContact O-CA 3.34Å; A52-L59 HydrophobicContact CB-CB 3.83Å; A52-F89 HydrophobicContact CB-CB 4.16Å
53	C	97.3	Very high	97.2	Very high	66 Å²	66	33.1 Å²	33.1	45%	0.446	16%	0.161	S	C	.	.			trans	-86.6	54.6	-177.7	-85.4	0	0	0	0	111.9	N30 D51	N30-C53 HydrophobicContact CB-CB 4.31Å; D51-C53 PolarHBondContact OD2-N 3.4Å; D51-C53 VanDerWaalsContact OD2-N 3.13Å
54	F	98.1	Very high	97.3	Very high	60 Å²	60	31.4 Å²	31.4	26%	0.263	15%	0.148	S	C	.	.	S	Bend	trans	-143	170.5	177.6	51.7	-101.9	0	0	0	110.8	D51 A52 S56 G57 T90	D51-F54 WeakPolarHBondContact O-CE1 3.45Å; D51-F54 WeakPolarHBondContact OD2-CD1 3.32Å; A52-F54 PolarHBondContact O-N 2.95Å; F54-S56 PolarHBondContact O-N 3.26Å; F54-G57 WeakPolarHBondContact O-CA 3.43Å; F54-G57 PolarHBondContact O-N 2.99Å; F54-T90 HydrophobicContact CE1-CG2 3.84Å; F54-T90 HydrophobicContact CZ-CG2 4.12Å
55	E	98.1	Very high	97.4	Very high	34 Å²	34	28.1 Å²	28.1	16%	0.159	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	129.4	-179.7	-175.4	-176.7	-169.1	0	0	112.2	G57 T174 Y175 T176 Y279	E55-G57 PolarHBondContact O-N 3.36Å; E55-G57 VanDerWaalsContact O-N 3.16Å; E55-T174 HydrophobicContact CG-CG2 4.34Å; E55-T174 WeakPolarHBondContact OE1-CB 3.44Å; E55-T174 WeakPolarHBondContact OE2-CB 3.13Å; E55-T174 PolarHBondContact OE2-OG1 3.44Å; E55-Y175 VanDerWaalsContact OE1-CA 3.3Å; E55-Y175 WeakPolarHBondContact OE1-CA 3.39Å; E55-Y175 VanDerWaalsContact OE1-CB 3.26Å; E55-Y175 WeakPolarHBondContact OE1-CB 3.43Å; E55-Y175 PolarHBondContact OE1-N 3.27Å; E55-T176 VanDerWaalsContact CD-OG1 3.24Å; E55-T176 PolarHBondContact OE1-N 2.97Å; E55-T176 PolarHBondContact OE1-OG1 3.47Å; E55-T176 WeakPolarHBondContact OE2-CB 3.26Å; E55-T176 PolarHBondContact OE2-OG1 2.88Å; E55-Y279 HydrophobicContact CB-CD2 4.38Å; E55-Y279 HydrophobicContact CB-CE2 4.31Å; E55-Y279 HydrophobicContact CG-CD2 3.66Å; E55-Y279 HydrophobicContact CG-CE2 4.04Å; E55-Y279 HydrophobicContact CG-CG 4.2Å
56	S	98.3	Very high	97.3	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.028	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	11.3	-175.2	-54.4	0	0	0	0	114.7	F54 W86 N88 V278 Y279	F54-S56 PolarHBondContact O-N 3.26Å; S56-W86 PolarHBondContact O-NE1 3.44Å; S56-N88 VanDerWaalsContact O-CB 3.29Å; S56-N88 WeakPolarHBondContact O-CB 3.35Å; S56-N88 PolarHBondContact O-ND2 3.44Å; S56-N88 VanDerWaalsContact O-ND2 3.1Å; S56-V278 WeakPolarHBondContact CA-O 3.47Å; S56-V278 WeakPolarHBondContact CB-O 3.4Å; S56-V278 PolarHBondContact OG-O 2.9Å; S56-Y279 PolarHBondContact N-O 2.86Å
57	G	98.5	Very high	97.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.			trans	-68.4	140.8	172.8	0	0	0	0	0	111.7	N28 A52 F54 E55 N88	N28-G57 PolarHBondContact ND2-O 3.25Å; A52-G57 WeakPolarHBondContact O-CA 3.34Å; F54-G57 WeakPolarHBondContact O-CA 3.43Å; F54-G57 PolarHBondContact O-N 2.99Å; E55-G57 PolarHBondContact O-N 3.36Å; E55-G57 VanDerWaalsContact O-N 3.16Å; G57-N88 CarbonylContact C-O 3.54Å; G57-N88 VanDerWaalsContact CA-O 3.27Å; G57-N88 WeakPolarHBondContact CA-O 3.35Å
58	N	98.6	Very high	97.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-154	110.3	174.1	-173	-30.5	0	0	0	110.4	I74 R75 W86 F87 N88 G281	N58-I74 WeakPolarHBondContact OD1-CG2 3.27Å; N58-R75 PolarHBondContact ND2-O 2.86Å; N58-R75 VanDerWaalsContact OD1-CB 3.27Å; N58-R75 WeakPolarHBondContact OD1-CB 3.29Å; N58-R75 PolarHBondContact OD1-N 3.28Å; N58-R75 PolarHBondContact OD1-O 3.48Å; N58-W86 VanDerWaalsContact CG-O 3.26Å; N58-W86 PolarHBondContact ND2-O 3.41Å; N58-F87 VanDerWaalsContact O-CA 3.32Å; N58-F87 WeakPolarHBondContact O-CA 3.38Å; N58-N88 PolarHBondContact N-O 3.07Å; N58-N88 PolarHBondContact O-N 2.88Å; N58-G281 WeakPolarHBondContact CB-O 3.45Å; N58-G281 PolarHBondContact ND2-O 3.29Å
59	L	98.4	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.			trans	-163.6	120.6	164.6	178.6	63.6	0	0	0	106.5	N28 V29 F50 A52 V62 L72 F89	N28-L59 CarbonylContact C-O 3.56Å; N28-L59 VanDerWaalsContact CA-O 3.28Å; N28-L59 WeakPolarHBondContact CA-O 3.34Å; V29-L59 HydrophobicContact CG2-CB 4.13Å; V29-L59 HydrophobicContact CG2-CD2 3.94Å; V29-L59 HydrophobicContact CG2-CG 4.05Å; V29-L59 PolarHBondContact N-O 2.68Å; F50-L59 HydrophobicContact CB-CD2 4.39Å; F50-L59 HydrophobicContact CD1-CD2 4.02Å; A52-L59 HydrophobicContact CB-CB 3.83Å; L59-V62 HydrophobicContact CD2-CG2 3.7Å; L59-V62 HydrophobicContact CG-CG2 4.19Å; L59-L72 HydrophobicContact CD1-CB 3.86Å; L59-F89 HydrophobicContact CB-CB 3.87Å; L59-F89 HydrophobicContact CB-CD1 4.4Å; L59-F89 HydrophobicContact CB-CG 4.34Å; L59-F89 HydrophobicContact CD2-CB 3.75Å; L59-F89 HydrophobicContact CD2-CD1 4.06Å; L59-F89 HydrophobicContact CD2-CD2 3.92Å; L59-F89 HydrophobicContact CD2-CG 3.66Å; L59-F89 HydrophobicContact CG-CB 4.46Å
60	G	97.3	Very high	97	Very high	10 Å²	10	37.2 Å²	37.2	10%	0.103	19%	0.189	C	C	.	.			trans	-96.5	-29.5	-170.6	0	0	0	0	0	114.6	F73	G60-F73 PolarHBondContact N-O 2.98Å
61	R	96.9	Very high	97	Very high	82 Å²	82	37.7 Å²	37.7	31%	0.309	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	152	-179.6	170.1	175.6	162.1	178.3	-12.7	110.6	E23 L25 D63 F73	E23-R61 IonicContact OE2-CZ 3.14Å; E23-R61 IonicContact OE2-NH1 2.71Å; E23-R61 PolarHBondContact OE2-NH1 3.43Å; L25-R61 HydrophobicContact CD2-CB 3.42Å; L25-R61 VanDerWaalsContact CD2-CB 3.42Å; L25-R61 HydrophobicContact CD2-CG 4.36Å; R61-D63 IonicContact CZ-OD1 3.46Å; R61-D63 IonicContact CZ-OD2 3.9Å; R61-D63 IonicContact NE-OD1 2.72Å; R61-D63 PolarHBondContact NE-OD1 3.35Å; R61-D63 IonicContact NE-OD2 3.49Å; R61-D63 PolarHBondContact NE-OD2 3.19Å; R61-D63 VanDerWaalsContact NH2-CG 3.31Å; R61-D63 IonicContact NH2-OD1 3.4Å; R61-D63 PolarHBondContact NH2-OD1 3.32Å; R61-D63 VanDerWaalsContact NH2-OD1 3.14Å; R61-D63 IonicContact NH2-OD2 3.82Å; R61-D63 PolarHBondContact NH2-OD2 2.99Å; R61-F73 HydrophobicContact CB-CB 4.08Å; R61-F73 HydrophobicContact CB-CD2 4.27Å; R61-F73 HydrophobicContact CB-CG 4.45Å; R61-F73 HydrophobicContact CG-CD2 4.08Å; R61-F73 PolarHBondContact N-O 3.24Å; R61-F73 PolarHBondContact O-N 3.37Å
62	V	97.9	Very high	97	Very high	9 Å²	9	37.1 Å²	37.1	6%	0.055	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124.1	176.3	-179.8	0	0	0	0	108.4	V29 L32 I34 F50 L59 F70 D71 L72	V29-V62 HydrophobicContact CG1-CG2 4.48Å; L32-V62 HydrophobicContact CD2-CB 4.02Å; L32-V62 HydrophobicContact CD2-CG2 4.28Å; I34-V62 HydrophobicContact CD1-CB 4.2Å; I34-V62 HydrophobicContact CD1-CG1 4.09Å; I34-V62 HydrophobicContact CG1-CB 4.42Å; I34-V62 HydrophobicContact CG1-CG1 3.93Å; F50-V62 HydrophobicContact CB-CG2 4.15Å; F50-V62 HydrophobicContact CD1-CG2 3.96Å; F50-V62 HydrophobicContact CD2-CB 4.5Å; F50-V62 HydrophobicContact CD2-CG1 4.08Å; F50-V62 HydrophobicContact CD2-CG2 4.24Å; F50-V62 HydrophobicContact CE1-CG1 4.31Å; F50-V62 HydrophobicContact CE1-CG2 4.4Å; F50-V62 HydrophobicContact CE2-CG1 3.8Å; F50-V62 HydrophobicContact CG-CG1 4.45Å; F50-V62 HydrophobicContact CG-CG2 3.86Å; F50-V62 HydrophobicContact CZ-CG1 3.91Å; L59-V62 HydrophobicContact CD2-CG2 3.7Å; L59-V62 HydrophobicContact CG-CG2 4.19Å; V62-F70 HydrophobicContact CG1-CB 4.32Å; V62-F70 HydrophobicContact CG1-CD1 4.35Å; V62-D71 CarbonylContact C-O 3.47Å; V62-D71 WeakPolarHBondContact CA-O 3.49Å; V62-L72 HydrophobicContact CB-CD2 4.17Å; V62-L72 HydrophobicContact CG1-CD2 3.69Å; V62-L72 HydrophobicContact CG2-CD2 3.75Å
63	D	96.5	Very high	96.9	Very high	39 Å²	39	39 Å²	39	21%	0.209	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.8	175.6	-69.2	-8	0	0	0	110.1	R61 I65 F70 D71 F73	R61-D63 IonicContact CZ-OD1 3.46Å; R61-D63 IonicContact CZ-OD2 3.9Å; R61-D63 IonicContact NE-OD1 2.72Å; R61-D63 PolarHBondContact NE-OD1 3.35Å; R61-D63 IonicContact NE-OD2 3.49Å; R61-D63 PolarHBondContact NE-OD2 3.19Å; R61-D63 VanDerWaalsContact NH2-CG 3.31Å; R61-D63 IonicContact NH2-OD1 3.4Å; R61-D63 PolarHBondContact NH2-OD1 3.32Å; R61-D63 VanDerWaalsContact NH2-OD1 3.14Å; R61-D63 IonicContact NH2-OD2 3.82Å; R61-D63 PolarHBondContact NH2-OD2 2.99Å; D63-I65 HydrophobicContact CB-CD1 4.3Å; D63-F70 VanDerWaalsContact O-CA 3.31Å; D63-F70 WeakPolarHBondContact O-CA 3.43Å; D63-D71 HydrophobicContact CB-CB 4.16Å; D63-D71 PolarHBondContact N-O 2.83Å; D63-D71 PolarHBondContact O-N 2.83Å; D63-F73 HydrophobicContact CB-CE2 4.31Å; D63-F73 VanDerWaalsContact OD2-CE2 3.29Å; D63-F73 WeakPolarHBondContact OD2-CE2 3.31Å
64	Y	96.5	Very high	96.9	Very high	54 Å²	54	35.9 Å²	35.9	21%	0.212	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	115.4	172	-174.7	-90	0	0	0	109.7	I34 P37 G66 D67 F70	I34-Y64 HydrophobicContact CG2-CD2 3.52Å; I34-Y64 HydrophobicContact CG2-CE2 4.49Å; I34-Y64 HydrophobicContact CG2-CG 4.15Å; P37-Y64 VanDerWaalsContact CD-CE1 3.47Å; P37-Y64 HydrophobicContact CG-CD1 4.12Å; P37-Y64 HydrophobicContact CG-CE1 4.39Å; Y64-G66 VanDerWaalsContact CZ-C 3.42Å; Y64-D67 VanDerWaalsContact OH-CA 3.28Å; Y64-D67 WeakPolarHBondContact OH-CA 3.43Å; Y64-D67 PolarHBondContact OH-N 2.88Å; Y64-D67 PolarHBondContact OH-OD1 2.72Å; Y64-F70 HydrophobicContact CD2-CD1 4.32Å; Y64-F70 AromaticContact CD2-CE1 3.77Å; Y64-F70 HydrophobicContact CD2-CE1 3.77Å; Y64-F70 HydrophobicContact CD2-CZ 4.44Å; Y64-F70 HydrophobicContact CE2-CE1 4.24Å
65	I	95.9	Very high	96.8	Very high	84 Å²	84	34.2 Å²	34.2	43%	0.431	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-41.1	177.1	-53.3	-54.2	0	0	0	110.1	D63 E69 D71	D63-I65 HydrophobicContact CB-CD1 4.3Å; I65-E69 HydrophobicContact CB-CB 4.09Å; I65-E69 HydrophobicContact CB-CG 3.93Å; I65-E69 WeakPolarHBondContact CB-O 3.31Å; I65-E69 HydrophobicContact CG1-CG 4.38Å; I65-E69 HydrophobicContact CG2-CB 4.39Å; I65-E69 HydrophobicContact CG2-CG 4.1Å; I65-E69 PolarHBondContact N-O 2.99Å; I65-D71 HydrophobicContact CD1-CB 4.09Å; I65-D71 HydrophobicContact CG1-CB 4.1Å
66	G	93.9	Very high	96.7	Very high	22 Å²	22	33.7 Å²	33.7	23%	0.227	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	-178.2	174.1	0	0	0	0	0	111.4	Y64 F68 E69	Y64-G66 VanDerWaalsContact CZ-C 3.42Å; G66-F68 PolarHBondContact O-N 3.44Å; G66-E69 PolarHBondContact N-O 3.4Å; G66-E69 VanDerWaalsContact N-O 3.12Å; G66-E69 PolarHBondContact O-N 3.16Å; G66-E69 VanDerWaalsContact O-O 3.14Å
67	D	89.8	Confident	96.7	Very high	105 Å²	105	33.6 Å²	33.6	56%	0.561	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-22.2	-174.4	-64.2	7.3	0	0	0	114.3	Y64	Y64-D67 VanDerWaalsContact OH-CA 3.28Å; Y64-D67 WeakPolarHBondContact OH-CA 3.43Å; Y64-D67 PolarHBondContact OH-N 2.88Å; Y64-D67 PolarHBondContact OH-OD1 2.72Å
68	F	94.5	Very high	96.6	Very high	122 Å²	122	35 Å²	35	54%	0.535	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	5.2	-177.9	-48.1	-65.3	0	0	0	113.3	G66 R99 V100 I101	G66-F68 PolarHBondContact O-N 3.44Å; F68-R99 VanDerWaalsContact CD1-O 3.23Å; F68-R99 WeakPolarHBondContact CD1-O 3.49Å; F68-V100 CarbonylContact O-C 3.58Å; F68-V100 VanDerWaalsContact O-CA 3.29Å; F68-V100 WeakPolarHBondContact O-CA 3.35Å; F68-I101 PolarHBondContact O-N 3.16Å
69	E	97.3	Very high	96.4	Very high	73 Å²	73	39.5 Å²	39.5	34%	0.341	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.9	-170.5	-172	171.3	-165.2	0	0	112	I65 G66 N103	I65-E69 HydrophobicContact CB-CB 4.09Å; I65-E69 HydrophobicContact CB-CG 3.93Å; I65-E69 WeakPolarHBondContact CB-O 3.31Å; I65-E69 HydrophobicContact CG1-CG 4.38Å; I65-E69 HydrophobicContact CG2-CB 4.39Å; I65-E69 HydrophobicContact CG2-CG 4.1Å; I65-E69 PolarHBondContact N-O 2.99Å; G66-E69 PolarHBondContact N-O 3.4Å; G66-E69 VanDerWaalsContact N-O 3.12Å; G66-E69 PolarHBondContact O-N 3.16Å; G66-E69 VanDerWaalsContact O-O 3.14Å; E69-N103 WeakPolarHBondContact CG-ND2 3.32Å; E69-N103 PolarHBondContact OE1-ND2 3.06Å
70	F	98.1	Very high	96.2	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	131.4	-177.7	-50.6	-101.5	0	0	0	110.7	I34 L48 F50 V62 D63 Y64 L72 V100 I101 F102 N103	I34-F70 HydrophobicContact CB-CE1 4.33Å; I34-F70 HydrophobicContact CG2-CD1 4.11Å; I34-F70 HydrophobicContact CG2-CE1 3.73Å; L48-F70 HydrophobicContact CD1-CD2 4.43Å; L48-F70 HydrophobicContact CD1-CE1 4.28Å; L48-F70 HydrophobicContact CD1-CE2 3.81Å; L48-F70 HydrophobicContact CD1-CZ 3.72Å; L48-F70 HydrophobicContact CG-CZ 4.24Å; F50-F70 HydrophobicContact CE2-CD1 4.4Å; F50-F70 HydrophobicContact CZ-CD1 4.28Å; F50-F70 HydrophobicContact CZ-CG 4.41Å; V62-F70 HydrophobicContact CG1-CB 4.32Å; V62-F70 HydrophobicContact CG1-CD1 4.35Å; D63-F70 VanDerWaalsContact O-CA 3.31Å; D63-F70 WeakPolarHBondContact O-CA 3.43Å; Y64-F70 HydrophobicContact CD2-CD1 4.32Å; Y64-F70 AromaticContact CD2-CE1 3.77Å; Y64-F70 HydrophobicContact CD2-CE1 3.77Å; Y64-F70 HydrophobicContact CD2-CZ 4.44Å; Y64-F70 HydrophobicContact CE2-CE1 4.24Å; F70-L72 HydrophobicContact CB-CD2 4.29Å; F70-V100 HydrophobicContact CD2-CB 4.41Å; F70-V100 HydrophobicContact CE2-CB 4.16Å; F70-V100 HydrophobicContact CE2-CG1 3.79Å; F70-I101 PolarHBondContact N-O 3.09Å; F70-F102 HydrophobicContact CB-CD1 4Å; F70-F102 HydrophobicContact CB-CE1 4.27Å; F70-F102 HydrophobicContact CD2-CD1 4.04Å; F70-F102 AromaticContact CD2-CE1 3.72Å; F70-F102 HydrophobicContact CD2-CE1 3.72Å; F70-F102 HydrophobicContact CE2-CE1 4.39Å; F70-F102 HydrophobicContact CG-CD1 4.31Å; F70-F102 HydrophobicContact CG-CE1 4.12Å; F70-N103 PolarHBondContact O-N 2.83Å
71	D	97.8	Very high	96	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.053	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.7	172.1	-77	-4.5	0	0	0	110	V62 D63 I65 F73 N103 V105 H146	V62-D71 CarbonylContact C-O 3.47Å; V62-D71 WeakPolarHBondContact CA-O 3.49Å; D63-D71 HydrophobicContact CB-CB 4.16Å; D63-D71 PolarHBondContact N-O 2.83Å; D63-D71 PolarHBondContact O-N 2.83Å; I65-D71 HydrophobicContact CD1-CB 4.09Å; I65-D71 HydrophobicContact CG1-CB 4.1Å; D71-F73 HydrophobicContact CB-CE2 4.02Å; D71-N103 VanDerWaalsContact OD1-CB 3.24Å; D71-N103 WeakPolarHBondContact OD1-CB 3.39Å; D71-N103 PolarHBondContact OD1-ND2 2.87Å; D71-V105 HydrophobicContact CB-CG1 4.1Å; D71-H146 IonicContact OD2-CE1 3.93Å; D71-H146 PolarHBondContact OD2-CE1 3.36Å; D71-H146 IonicContact OD2-NE2 3.57Å
72	L	98	Very high	95.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.9	-175.5	-55	-168.3	0	0	0	109.5	F50 L59 V62 F70 F89 F102 N103 I104 V105	F50-L72 HydrophobicContact CE1-CD2 4Å; L59-L72 HydrophobicContact CD1-CB 3.86Å; V62-L72 HydrophobicContact CB-CD2 4.17Å; V62-L72 HydrophobicContact CG1-CD2 3.69Å; V62-L72 HydrophobicContact CG2-CD2 3.75Å; F70-L72 HydrophobicContact CB-CD2 4.29Å; L72-F89 HydrophobicContact CD1-CE1 3.94Å; L72-F89 HydrophobicContact CD1-CE2 4.12Å; L72-F89 HydrophobicContact CD1-CZ 3.47Å; L72-F89 VanDerWaalsContact CD1-CZ 3.47Å; L72-F102 HydrophobicContact CD1-CB 3.77Å; L72-F102 HydrophobicContact CD1-CD1 4.09Å; L72-F102 HydrophobicContact CD1-CG 4.02Å; L72-F102 HydrophobicContact CD2-CD1 4.39Å; L72-F102 HydrophobicContact CG-CB 4.35Å; L72-F102 HydrophobicContact CG-CD1 4.44Å; L72-N103 PolarHBondContact N-O 2.81Å; L72-I104 HydrophobicContact CB-CD1 3.61Å; L72-I104 HydrophobicContact CD1-CD1 3.79Å; L72-I104 HydrophobicContact CG-CD1 4.22Å; L72-V105 PolarHBondContact O-N 3.13Å
73	F	97.2	Very high	95.5	Very high	40 Å²	40	51.8 Å²	51.8	18%	0.175	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.2	-179.8	-63.8	-100.8	0	0	0	110	L25 G60 R61 D63 D71 R75 V105 N106	L25-F73 HydrophobicContact CD2-CB 3.88Å; G60-F73 PolarHBondContact N-O 2.98Å; R61-F73 HydrophobicContact CB-CB 4.08Å; R61-F73 HydrophobicContact CB-CD2 4.27Å; R61-F73 HydrophobicContact CB-CG 4.45Å; R61-F73 HydrophobicContact CG-CD2 4.08Å; R61-F73 PolarHBondContact N-O 3.24Å; R61-F73 PolarHBondContact O-N 3.37Å; D63-F73 HydrophobicContact CB-CE2 4.31Å; D63-F73 VanDerWaalsContact OD2-CE2 3.29Å; D63-F73 WeakPolarHBondContact OD2-CE2 3.31Å; D71-F73 HydrophobicContact CB-CE2 4.02Å; F73-R75 PolarHBondContact O-N 2.97Å; F73-V105 HydrophobicContact CD1-CG2 3.73Å; F73-V105 HydrophobicContact CD2-CG2 4.26Å; F73-V105 HydrophobicContact CE1-CG2 3.41Å; F73-V105 VanDerWaalsContact CE1-CG2 3.41Å; F73-V105 HydrophobicContact CE2-CG2 3.96Å; F73-V105 HydrophobicContact CG-CG2 4.15Å; F73-V105 HydrophobicContact CZ-CG2 3.54Å; F73-N106 HydrophobicContact CD1-CB 4.26Å
74	I	97.1	Very high	95.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-64.4	132.7	173.2	-59.6	-179.3	0	0	0	108.9	N58 R84 W86 F87 I104 N106 F107	N58-I74 WeakPolarHBondContact OD1-CG2 3.27Å; I74-R84 HydrophobicContact CB-CB 4.25Å; I74-R84 HydrophobicContact CG2-CB 4.2Å; I74-W86 VanDerWaalsContact CG2-O 3.26Å; I74-W86 WeakPolarHBondContact CG2-O 3.37Å; I74-F87 HydrophobicContact CD1-CB 4.31Å; I74-F87 HydrophobicContact CD1-CD1 4.14Å; I74-F87 HydrophobicContact CG1-CB 4.21Å; I74-I104 HydrophobicContact CD1-CG2 3.59Å; I74-I104 HydrophobicContact CG1-CG2 3.79Å; I74-N106 WeakPolarHBondContact CB-OD1 3.2Å; I74-N106 PolarHBondContact N-ND2 2.88Å; I74-N106 PolarHBondContact N-OD1 3.19Å; I74-N106 PolarHBondContact O-ND2 2.91Å; I74-F107 HydrophobicContact CD1-CD1 4.18Å; I74-F107 HydrophobicContact CD1-CE1 3.93Å; I74-F107 HydrophobicContact CD1-CZ 4.25Å
75	R	96.9	Very high	95.3	Very high	25 Å²	25	49.3 Å²	49.3	9%	0.094	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-67.5	130	171.2	-174.4	-171.3	63.8	82.7	-0.5	108.4	N28 N58 F73 T78 L280 N282	N28-R75 WeakPolarHBondContact OD1-CD 3.32Å; N28-R75 PolarHBondContact OD1-NE 3.46Å; N28-R75 VanDerWaalsContact OD1-NE 3.11Å; N58-R75 PolarHBondContact ND2-O 2.86Å; N58-R75 VanDerWaalsContact OD1-CB 3.27Å; N58-R75 WeakPolarHBondContact OD1-CB 3.29Å; N58-R75 PolarHBondContact OD1-N 3.28Å; N58-R75 PolarHBondContact OD1-O 3.48Å; F73-R75 PolarHBondContact O-N 2.97Å; R75-T78 PolarHBondContact NH1-OG1 2.91Å; R75-T78 VanDerWaalsContact NH1-OG1 3.12Å; R75-L280 PolarHBondContact NH2-O 2.99Å; R75-N282 PolarHBondContact NH2-OD1 2.87Å
76	P	96.4	Very high	95.4	Very high	23 Å²	23	45.6 Å²	45.6	15%	0.149	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-59.7	156	174.9	26	-32.8	0	0	0	111.1	T78 F83 R84	P76-T78 PolarHBondContact O-N 2.83Å; P76-F83 WeakPolarHBondContact CA-O 3.42Å; P76-R84 HydrophobicContact CB-CG 4.22Å
77	D	97.1	Very high	95.6	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-50.7	141.8	169.5	-83	15.9	0	0	0	111	C79 N80 F83 N282 Y283 R284 C285	D77-C79 PolarHBondContact O-N 2.81Å; D77-N80 HydrophobicContact CB-CB 4.16Å; D77-N80 PolarHBondContact N-O 2.86Å; D77-N80 CarbonylContact O-C 3.42Å; D77-N80 PolarHBondContact O-N 3.03Å; D77-F83 HydrophobicContact CB-CB 4.15Å; D77-F83 PolarHBondContact N-O 3.05Å; D77-N282 HydrophobicContact CB-CB 4.4Å; D77-N282 WeakPolarHBondContact OD1-CA 3.36Å; D77-Y283 PolarHBondContact OD1-N 3.02Å; D77-Y283 PolarHBondContact OD2-N 3.25Å; D77-R284 WeakPolarHBondContact OD2-CA 3.47Å; D77-R284 PolarHBondContact OD2-N 3.15Å; D77-C285 HydrophobicContact CB-CB 4.14Å; D77-C285 PolarHBondContact OD2-N 3.16Å
78	T	95.9	Very high	96.1	Very high	29 Å²	29	39.6 Å²	39.6	18%	0.178	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	129.9	-179.4	-49.2	0	0	0	0	110.3	R75 P76 N80 N282 L287 G289	R75-T78 PolarHBondContact NH1-OG1 2.91Å; R75-T78 VanDerWaalsContact NH1-OG1 3.12Å; P76-T78 PolarHBondContact O-N 2.83Å; T78-N80 PolarHBondContact O-N 3.45Å; T78-N80 VanDerWaalsContact O-N 3.1Å; T78-N282 PolarHBondContact N-OD1 3.25Å; T78-N282 PolarHBondContact OG1-OD1 3.28Å; T78-L287 HydrophobicContact CG2-CD1 4.07Å; T78-G289 VanDerWaalsContact O-CA 3.26Å; T78-G289 WeakPolarHBondContact O-CA 3.45Å; T78-G289 PolarHBondContact O-N 3.16Å
79	C	95	Very high	96.3	Very high	95 Å²	95	33.8 Å²	33.8	64%	0.642	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	18.9	-174.5	-60.3	0	0	0	0	114.8	D77	D77-C79 PolarHBondContact O-N 2.81Å
80	N	94.6	Very high	96.3	Very high	27 Å²	27	31.1 Å²	31.1	14%	0.144	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-147.6	103.1	177.4	-163.6	-47.2	0	0	0	113	D77 T78 R82 C285 G289	D77-N80 HydrophobicContact CB-CB 4.16Å; D77-N80 PolarHBondContact N-O 2.86Å; D77-N80 CarbonylContact O-C 3.42Å; D77-N80 PolarHBondContact O-N 3.03Å; T78-N80 PolarHBondContact O-N 3.45Å; T78-N80 VanDerWaalsContact O-N 3.1Å; N80-R82 PolarHBondContact O-N 3.35Å; N80-R82 VanDerWaalsContact O-N 3.12Å; N80-R82 WeakPolarHBondContact OD1-CB 3.46Å; N80-R82 PolarHBondContact OD1-N 2.93Å; N80-R82 VanDerWaalsContact OD1-N 3.1Å; N80-C285 HydrophobicContact CB-CB 4.42Å; N80-C285 PolarHBondContact ND2-SG 3.05Å; N80-C285 VanDerWaalsContact ND2-SG 3.45Å; N80-G289 PolarHBondContact ND2-O 3.09Å
81	P	92.3	Very high	96.4	Very high	87 Å²	87	31 Å²	31	57%	0.565	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-5.8	-175.3	30.6	-36.2	0	0	0	114.4	R84	P81-R84 VanDerWaalsContact O-CZ 3.29Å; P81-R84 PolarHBondContact O-NE 2.56Å; P81-R84 VanDerWaalsContact O-NE 3.15Å; P81-R84 PolarHBondContact O-NH2 2.82Å
82	R	91.4	Very high	96.4	Very high	197 Å²	197	32.5 Å²	32.5	74%	0.743	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-27	-171.3	-62.4	179.5	172.6	167.2	-1.3	113.6	N80 S108	N80-R82 PolarHBondContact O-N 3.35Å; N80-R82 VanDerWaalsContact O-N 3.12Å; N80-R82 WeakPolarHBondContact OD1-CB 3.46Å; N80-R82 PolarHBondContact OD1-N 2.93Å; N80-R82 VanDerWaalsContact OD1-N 3.1Å; R82-S108 WeakPolarHBondContact O-CB 3.44Å; R82-S108 PolarHBondContact O-OG 3.1Å
83	F	93.4	Very high	96.4	Very high	48 Å²	48	33.9 Å²	33.9	21%	0.211	17%	0.17	C	C	.	.			trans	-105.8	117.8	-171.4	-60.3	-65.7	0	0	0	111.5	P76 D77 R284 C285	P76-F83 WeakPolarHBondContact CA-O 3.42Å; D77-F83 HydrophobicContact CB-CB 4.15Å; D77-F83 PolarHBondContact N-O 3.05Å; F83-R284 HydrophobicContact CB-CB 4.38Å; F83-R284 HydrophobicContact CD1-CB 4.19Å; F83-R284 HydrophobicContact CD2-CB 4.06Å; F83-R284 HydrophobicContact CE2-CB 4.45Å; F83-R284 HydrophobicContact CG-CB 3.93Å; F83-R284 HydrophobicContact CZ-CG 4.49Å; F83-C285 VanDerWaalsContact CD2-SG 3.52Å
84	R	94.2	Very high	96.4	Very high	39 Å²	39	32 Å²	32	15%	0.147	16%	0.162	C	C	.	.			trans	-142	90.5	179.9	-63.6	169.2	-146.6	-110.3	7.5	108	I74 P76 P81 N106 F107 S108	I74-R84 HydrophobicContact CB-CB 4.25Å; I74-R84 HydrophobicContact CG2-CB 4.2Å; P76-R84 HydrophobicContact CB-CG 4.22Å; P81-R84 VanDerWaalsContact O-CZ 3.29Å; P81-R84 PolarHBondContact O-NE 2.56Å; P81-R84 VanDerWaalsContact O-NE 3.15Å; P81-R84 PolarHBondContact O-NH2 2.82Å; R84-N106 VanDerWaalsContact CB-O 3.28Å; R84-N106 WeakPolarHBondContact CB-O 3.38Å; R84-N106 WeakPolarHBondContact CD-O 3.31Å; R84-F107 WeakPolarHBondContact O-CA 3.42Å; R84-S108 PolarHBondContact N-OG 3.08Å; R84-S108 PolarHBondContact O-N 2.66Å; R84-S108 PolarHBondContact O-OG 3.36Å
85	V	94.9	Very high	96.3	Very high	2 Å²	2	38 Å²	38	1%	0.012	19%	0.185	C	C	.	.			trans	-141.7	-49.7	-176.1	-175	0	0	0	0	111.7	F87 F107 K109 Y169 Y283	V85-F87 PolarHBondContact O-N 2.83Å; V85-F107 HydrophobicContact CB-CE1 4.47Å; V85-F107 HydrophobicContact CG1-CD1 4.48Å; V85-F107 HydrophobicContact CG1-CE1 4.12Å; V85-F107 WeakPolarHBondContact O-CE1 3.47Å; V85-K109 HydrophobicContact CG2-CD 4.28Å; V85-K109 HydrophobicContact CG2-CG 3.88Å; V85-Y169 HydrophobicContact CG1-CD2 4.45Å; V85-Y169 HydrophobicContact CG1-CE1 4.27Å; V85-Y169 HydrophobicContact CG1-CE2 3.9Å; V85-Y169 WeakPolarHBondContact O-CD2 3.3Å; V85-Y283 HydrophobicContact CB-CD1 3.82Å; V85-Y283 HydrophobicContact CB-CD2 3.61Å; V85-Y283 HydrophobicContact CB-CE1 4.16Å; V85-Y283 HydrophobicContact CB-CE2 4.02Å; V85-Y283 HydrophobicContact CB-CG 3.57Å; V85-Y283 HydrophobicContact CG1-CD2 3.83Å; V85-Y283 HydrophobicContact CG1-CE2 3.8Å; V85-Y283 HydrophobicContact CG1-CG 4.29Å; V85-Y283 HydrophobicContact CG2-CD1 3.67Å; V85-Y283 HydrophobicContact CG2-CD2 4.35Å; V85-Y283 HydrophobicContact CG2-CE1 3.84Å; V85-Y283 HydrophobicContact CG2-CG 3.99Å
86	W	97.8	Very high	96.2	Very high	6 Å²	6	42 Å²	42	2%	0.023	20%	0.204	C	C	.	.			trans	-73.7	127.8	179.3	177.6	-99	0	0	0	110.3	S56 N58 I74 N88 Y169 C170 P172 G281 Y283	S56-W86 PolarHBondContact O-NE1 3.44Å; N58-W86 VanDerWaalsContact CG-O 3.26Å; N58-W86 PolarHBondContact ND2-O 3.41Å; I74-W86 VanDerWaalsContact CG2-O 3.26Å; I74-W86 WeakPolarHBondContact CG2-O 3.37Å; W86-N88 HydrophobicContact CZ2-CB 3.96Å; W86-Y169 HydrophobicContact CE3-CD1 4.13Å; W86-Y169 HydrophobicContact CE3-CG 4.45Å; W86-Y169 HydrophobicContact CZ3-CD1 4.46Å; W86-C170 WeakPolarHBondContact CH2-O 3.49Å; W86-C170 HydrophobicContact CZ3-CB 4.37Å; W86-P172 HydrophobicContact CH2-CB 4.2Å; W86-P172 HydrophobicContact CH2-CG 4.06Å; W86-P172 HydrophobicContact CZ2-CB 4.23Å; W86-P172 HydrophobicContact CZ2-CG 4.2Å; W86-G281 VanDerWaalsContact CD1-O 3.3Å; W86-Y283 HydrophobicContact CB-CD2 4.32Å
87	F	98.5	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.			trans	-128.8	148.1	166.8	63.6	-96.5	0	0	0	109.4	N58 I74 V85 F89 I104 F107 P120 M152 A168 Y169	N58-F87 VanDerWaalsContact O-CA 3.32Å; N58-F87 WeakPolarHBondContact O-CA 3.38Å; I74-F87 HydrophobicContact CD1-CB 4.31Å; I74-F87 HydrophobicContact CD1-CD1 4.14Å; I74-F87 HydrophobicContact CG1-CB 4.21Å; V85-F87 PolarHBondContact O-N 2.83Å; F87-F89 HydrophobicContact CD2-CD1 4.06Å; F87-F89 AromaticContact CD2-CE1 3.76Å; F87-F89 HydrophobicContact CD2-CE1 3.76Å; F87-F89 HydrophobicContact CE2-CE1 4.29Å; F87-I104 HydrophobicContact CD1-CG1 4.43Å; F87-I104 HydrophobicContact CE1-CG1 4.31Å; F87-F107 HydrophobicContact CD1-CZ 4.29Å; F87-F107 HydrophobicContact CE1-CZ 4.05Å; F87-P120 HydrophobicContact CE2-CB 4.22Å; F87-P120 HydrophobicContact CZ-CB 3.84Å; F87-P120 HydrophobicContact CZ-CG 3.9Å; F87-M152 HydrophobicContact CE1-CE 3.62Å; F87-M152 HydrophobicContact CZ-CE 3.67Å; F87-A168 VanDerWaalsContact O-CA 3.31Å; F87-A168 WeakPolarHBondContact O-CA 3.15Å; F87-Y169 HydrophobicContact CD1-CD2 4.26Å; F87-Y169 AromaticContact CE1-CD2 3.85Å; F87-Y169 HydrophobicContact CE1-CD2 3.85Å; F87-Y169 HydrophobicContact CE1-CG 4.38Å; F87-Y169 PolarHBondContact O-N 3.12Å
88	N	98.8	Very high	96.1	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.011	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	110	176.1	-179.2	12.1	0	0	0	108.1	S56 G57 N58 W86 Q166 F167 A168	S56-N88 VanDerWaalsContact O-CB 3.29Å; S56-N88 WeakPolarHBondContact O-CB 3.35Å; S56-N88 PolarHBondContact O-ND2 3.44Å; S56-N88 VanDerWaalsContact O-ND2 3.1Å; G57-N88 CarbonylContact C-O 3.54Å; G57-N88 VanDerWaalsContact CA-O 3.27Å; G57-N88 WeakPolarHBondContact CA-O 3.35Å; N58-N88 PolarHBondContact N-O 3.07Å; N58-N88 PolarHBondContact O-N 2.88Å; W86-N88 HydrophobicContact CZ2-CB 3.96Å; N88-Q166 PolarHBondContact OD1-NE2 3.12Å; N88-F167 VanDerWaalsContact CA-O 3.28Å; N88-F167 WeakPolarHBondContact CA-O 3.26Å; N88-A168 HydrophobicContact CB-CB 4.23Å
89	F	98.9	Very high	96.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	159.5	-173.6	64.1	-89.4	0	0	0	110.6	F50 D51 A52 L59 L72 F87 V91 F154 Q166 F167	F50-F89 HydrophobicContact CD1-CD2 4.15Å; F50-F89 HydrophobicContact CD1-CE2 4.23Å; F50-F89 HydrophobicContact CE1-CE2 4.3Å; D51-F89 CarbonylContact O-C 3.57Å; D51-F89 VanDerWaalsContact O-CA 3.31Å; D51-F89 WeakPolarHBondContact O-CA 3.43Å; D51-F89 WeakPolarHBondContact O-CB 3.29Å; A52-F89 HydrophobicContact CB-CB 4.16Å; L59-F89 HydrophobicContact CB-CB 3.87Å; L59-F89 HydrophobicContact CB-CD1 4.4Å; L59-F89 HydrophobicContact CB-CG 4.34Å; L59-F89 HydrophobicContact CD2-CB 3.75Å; L59-F89 HydrophobicContact CD2-CD1 4.06Å; L59-F89 HydrophobicContact CD2-CD2 3.92Å; L59-F89 HydrophobicContact CD2-CG 3.66Å; L59-F89 HydrophobicContact CG-CB 4.46Å; L72-F89 HydrophobicContact CD1-CE1 3.94Å; L72-F89 HydrophobicContact CD1-CE2 4.12Å; L72-F89 HydrophobicContact CD1-CZ 3.47Å; L72-F89 VanDerWaalsContact CD1-CZ 3.47Å; F87-F89 HydrophobicContact CD2-CD1 4.06Å; F87-F89 AromaticContact CD2-CE1 3.76Å; F87-F89 HydrophobicContact CD2-CE1 3.76Å; F87-F89 HydrophobicContact CE2-CE1 4.29Å; F89-V91 HydrophobicContact CD2-CG2 3.85Å; F89-V91 HydrophobicContact CE2-CG2 3.64Å; F89-F154 HydrophobicContact CZ-CZ 4.22Å; F89-Q166 CarbonylContact O-C 3.56Å; F89-Q166 WeakPolarHBondContact O-CA 3.05Å; F89-Q166 WeakPolarHBondContact O-CG 3.37Å; F89-F167 HydrophobicContact CD2-CD2 4.43Å; F89-F167 HydrophobicContact CE1-CB 4.03Å; F89-F167 HydrophobicContact CE2-CB 4.2Å; F89-F167 AromaticContact CE2-CD2 3.81Å; F89-F167 HydrophobicContact CE2-CD2 3.81Å; F89-F167 HydrophobicContact CE2-CG 4.34Å; F89-F167 HydrophobicContact CZ-CB 3.84Å; F89-F167 HydrophobicContact CZ-CD2 4.16Å; F89-F167 HydrophobicContact CZ-CG 4.24Å; F89-F167 PolarHBondContact N-O 2.83Å; F89-F167 PolarHBondContact O-N 3.13Å
90	T	98.9	Very high	96.4	Very high	17 Å²	17	49 Å²	49	10%	0.104	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	150.4	172.9	55.4	0	0	0	0	111.4	F50 D51 F54 V164 Y165 Q166	F50-T90 WeakPolarHBondContact CA-O 3.29Å; D51-T90 WeakPolarHBondContact CB-OG1 3.29Å; D51-T90 PolarHBondContact N-O 3.31Å; D51-T90 PolarHBondContact O-N 2.88Å; D51-T90 PolarHBondContact O-OG1 2.94Å; F54-T90 HydrophobicContact CE1-CG2 3.84Å; F54-T90 HydrophobicContact CZ-CG2 4.12Å; T90-V164 HydrophobicContact CG2-CG1 3.97Å; T90-Y165 CarbonylContact C-O 3.52Å; T90-Y165 WeakPolarHBondContact CA-O 3.4Å; T90-Q166 HydrophobicContact CG2-CB 3.92Å; T90-Q166 HydrophobicContact CG2-CG 3.74Å
91	V	98.8	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.9	171.6	-173.6	0	0	0	0	108.2	L48 I49 F50 F89 V94 F102 F158 Y165 F167	L48-V91 HydrophobicContact CB-CG1 4.07Å; L48-V91 HydrophobicContact CD1-CG1 4.06Å; L48-V91 HydrophobicContact CD2-CG1 3.94Å; L48-V91 HydrophobicContact CG-CG1 4.26Å; I49-V91 CarbonylContact O-C 3.4Å; I49-V91 VanDerWaalsContact O-CA 3.31Å; I49-V91 WeakPolarHBondContact O-CA 3.38Å; F50-V91 HydrophobicContact CD1-CG2 3.81Å; F50-V91 HydrophobicContact CE1-CG2 3.75Å; F89-V91 HydrophobicContact CD2-CG2 3.85Å; F89-V91 HydrophobicContact CE2-CG2 3.64Å; V91-V94 HydrophobicContact CG1-CG1 4.03Å; V91-F102 HydrophobicContact CG2-CE2 4.44Å; V91-F102 HydrophobicContact CG2-CZ 4.18Å; V91-F158 HydrophobicContact CB-CZ 4.5Å; V91-F158 HydrophobicContact CG1-CE1 4.43Å; V91-F158 HydrophobicContact CG1-CZ 4Å; V91-Y165 PolarHBondContact N-O 3.46Å; V91-Y165 PolarHBondContact O-N 3.17Å; V91-F167 HydrophobicContact CB-CE2 4.42Å; V91-F167 HydrophobicContact CG2-CD2 4.19Å; V91-F167 HydrophobicContact CG2-CE2 4.03Å
92	E	98.1	Very high	96.9	Very high	43 Å²	43	46.9 Å²	46.9	20%	0.201	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	-178.3	175.6	71.2	-173.8	-175.3	0	0	111.3	K31 I49 V94 V164	K31-E92 WeakPolarHBondContact CD-OE1 3.32Å; K31-E92 IonicContact NZ-OE1 3.82Å; K31-E92 PolarHBondContact NZ-OE1 3.44Å; K31-E92 IonicContact NZ-OE2 2.74Å; K31-E92 PolarHBondContact NZ-OE2 3.41Å; I49-E92 HydrophobicContact CB-CG 3.63Å; I49-E92 HydrophobicContact CD1-CG 4.32Å; I49-E92 HydrophobicContact CG1-CG 4.47Å; I49-E92 HydrophobicContact CG2-CG 3.96Å; I49-E92 PolarHBondContact N-O 3.4Å; I49-E92 PolarHBondContact O-N 2.93Å; E92-V94 PolarHBondContact O-N 3.48Å; E92-V164 HydrophobicContact CB-CB 4.42Å; E92-V164 HydrophobicContact CB-CG1 4.24Å; E92-V164 HydrophobicContact CB-CG2 3.87Å
93	N	97.6	Very high	97.2	Very high	29 Å²	29	37.6 Å²	37.6	16%	0.155	17%	0.171	C	C	.	.	S	Bend	trans	57	34	-173.3	-166.7	48.3	0	0	0	113.1	R44 G46 H47 I49	R44-N93 PolarHBondContact O-ND2 3.01Å; G46-N93 WeakPolarHBondContact CA-O 3.2Å; G46-N93 PolarHBondContact N-O 3.1Å; H47-N93 PolarHBondContact O-ND2 2.58Å; I49-N93 HydrophobicContact CD1-CB 3.72Å; I49-N93 HydrophobicContact CG1-CB 3.84Å
94	V	97.1	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.161	C	C	.	.			trans	-74.2	158.5	178.5	-54.1	0	0	0	0	110.8	K45 L48 V91 E92 F158 R160 Y165	K45-V94 WeakPolarHBondContact CD-O 3.14Å; L48-V94 HydrophobicContact CD2-CB 4.34Å; L48-V94 HydrophobicContact CD2-CG1 3.87Å; V91-V94 HydrophobicContact CG1-CG1 4.03Å; E92-V94 PolarHBondContact O-N 3.48Å; V94-F158 HydrophobicContact CB-CB 3.99Å; V94-F158 HydrophobicContact CB-CD1 3.95Å; V94-F158 HydrophobicContact CB-CD2 3.99Å; V94-F158 HydrophobicContact CB-CE1 4.43Å; V94-F158 HydrophobicContact CB-CE2 4.45Å; V94-F158 HydrophobicContact CB-CG 3.71Å; V94-F158 HydrophobicContact CG1-CD1 3.55Å; V94-F158 HydrophobicContact CG1-CD2 4Å; V94-F158 HydrophobicContact CG1-CE1 3.58Å; V94-F158 HydrophobicContact CG1-CE2 4.01Å; V94-F158 HydrophobicContact CG1-CG 3.77Å; V94-F158 HydrophobicContact CG1-CZ 3.81Å; V94-F158 HydrophobicContact CG2-CB 4.01Å; V94-F158 HydrophobicContact CG2-CD1 4.19Å; V94-F158 HydrophobicContact CG2-CG 4.13Å; V94-R160 WeakPolarHBondContact CG2-O 3.5Å; V94-Y165 HydrophobicContact CG1-CD2 4.36Å; V94-Y165 HydrophobicContact CG2-CD2 4.38Å; V94-Y165 HydrophobicContact CG2-CE2 3.92Å
95	R	95.9	Very high	97.4	Very high	127 Å²	127	33.7 Å²	33.7	48%	0.479	16%	0.155	S	C	.	.			trans	-106.5	145.4	168.7	-170.4	179.9	67.5	-166.2	-1.9	110.2	K45 Q98 E161	K45-R95 HydrophobicContact CB-CB 4.28Å; K45-R95 HydrophobicContact CB-CG 4.46Å; R95-Q98 HydrophobicContact CB-CB 4.12Å; R95-Q98 WeakPolarHBondContact O-CB 3.38Å; R95-Q98 PolarHBondContact O-N 3.3Å; R95-Q98 VanDerWaalsContact O-N 3.08Å; R95-E161 WeakPolarHBondContact CA-OE1 3.26Å; R95-E161 WeakPolarHBondContact CG-OE1 3.42Å
96	E	95.3	Very high	97.4	Very high	109 Å²	109	34.6 Å²	34.6	51%	0.509	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	141.2	178.8	-169.1	177.9	175.1	0	0	108.3	Q98 E161	E96-Q98 PolarHBondContact O-N 3.28Å; E96-E161 HydrophobicContact CB-CG 3.68Å; E96-E161 PolarHBondContact N-OE1 3.45Å
97	T	95.4	Very high	97	Very high	98 Å²	98	35.1 Å²	35.1	60%	0.601	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	3.2	-174	76.1	0	0	0	0	115.3	R99 F158	T97-R99 PolarHBondContact O-N 3.02Å; T97-F158 WeakPolarHBondContact CA-O 3.43Å; T97-F158 PolarHBondContact N-O 3.43Å
98	Q	96.3	Very high	96.6	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.065	18%	0.179	C	C	.	.			trans	-63.9	123.9	174.1	-176.3	-178.5	14.1	0	0	109.6	G46 R95 E96 V100 C157 F158	G46-Q98 VanDerWaalsContact CA-OE1 3.24Å; G46-Q98 PolarHBondContact O-NE2 3.22Å; R95-Q98 HydrophobicContact CB-CB 4.12Å; R95-Q98 WeakPolarHBondContact O-CB 3.38Å; R95-Q98 PolarHBondContact O-N 3.3Å; R95-Q98 VanDerWaalsContact O-N 3.08Å; E96-Q98 PolarHBondContact O-N 3.28Å; Q98-V100 HydrophobicContact CG-CG1 4.16Å; Q98-C157 WeakPolarHBondContact O-CA 3.24Å; Q98-F158 HydrophobicContact CB-CD2 4.11Å; Q98-F158 HydrophobicContact CG-CD2 4.34Å; Q98-F158 WeakPolarHBondContact O-CD2 3.26Å; Q98-F158 PolarHBondContact O-N 3.35Å
99	R	97.6	Very high	95.9	Very high	183 Å²	183	40 Å²	40	69%	0.691	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	136	178	-61.6	-178.1	-175.7	-155	1.1	109.2	F68 T97 F156 C157	F68-R99 VanDerWaalsContact CD1-O 3.23Å; F68-R99 WeakPolarHBondContact CD1-O 3.49Å; T97-R99 PolarHBondContact O-N 3.02Å; R99-F156 CarbonylContact C-O 3.59Å; R99-F156 WeakPolarHBondContact CA-O 3.31Å; R99-C157 HydrophobicContact CG-CB 4.29Å
100	V	98.1	Very high	95	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.9	179.1	-61.5	0	0	0	0	110.9	L48 F68 F70 Q98 F102 A155 F156 F158	L48-V100 HydrophobicContact CD1-CG1 4.11Å; F68-V100 CarbonylContact O-C 3.58Å; F68-V100 VanDerWaalsContact O-CA 3.29Å; F68-V100 WeakPolarHBondContact O-CA 3.35Å; F70-V100 HydrophobicContact CD2-CB 4.41Å; F70-V100 HydrophobicContact CE2-CB 4.16Å; F70-V100 HydrophobicContact CE2-CG1 3.79Å; Q98-V100 HydrophobicContact CG-CG1 4.16Å; V100-F102 HydrophobicContact CB-CE1 4.29Å; V100-F102 HydrophobicContact CB-CZ 4.23Å; V100-F102 HydrophobicContact CG2-CD2 4.08Å; V100-F102 HydrophobicContact CG2-CE1 4.02Å; V100-F102 HydrophobicContact CG2-CE2 3.53Å; V100-F102 HydrophobicContact CG2-CZ 3.5Å; V100-A155 CarbonylContact O-C 3.48Å; V100-A155 WeakPolarHBondContact O-CA 3.34Å; V100-F156 HydrophobicContact CG2-CB 4.13Å; V100-F156 PolarHBondContact N-O 3.17Å; V100-F156 PolarHBondContact O-N 3.26Å; V100-F158 HydrophobicContact CB-CE2 4.4Å; V100-F158 HydrophobicContact CG1-CE2 3.92Å; V100-F158 HydrophobicContact CG2-CD2 4.43Å; V100-F158 HydrophobicContact CG2-CE2 3.54Å; V100-F158 HydrophobicContact CG2-CZ 3.96Å
101	I	98.4	Very high	94.3	Very high	68 Å²	68	51.1 Å²	51.1	35%	0.349	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.5	168.5	-57.5	177.3	0	0	0	106.3	F68 F70 N103	F68-I101 PolarHBondContact O-N 3.16Å; F70-I101 PolarHBondContact N-O 3.09Å; I101-N103 WeakPolarHBondContact CG2-OD1 3.42Å
102	F	98.6	Very high	93.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.4	173.1	-67.4	-46	0	0	0	109.2	L48 F50 F70 L72 V91 V100 S153 F154 F158 F167	L48-F102 HydrophobicContact CD1-CE1 4.02Å; L48-F102 HydrophobicContact CD1-CZ 3.91Å; F50-F102 HydrophobicContact CE1-CD1 4.36Å; F50-F102 AromaticContact CE1-CE1 3.74Å; F50-F102 HydrophobicContact CE1-CE1 3.74Å; F50-F102 HydrophobicContact CE1-CZ 4.09Å; F50-F102 HydrophobicContact CZ-CD1 4.45Å; F50-F102 AromaticContact CZ-CE1 3.63Å; F50-F102 HydrophobicContact CZ-CE1 3.63Å; F50-F102 HydrophobicContact CZ-CZ 4.16Å; F70-F102 HydrophobicContact CB-CD1 4Å; F70-F102 HydrophobicContact CB-CE1 4.27Å; F70-F102 HydrophobicContact CD2-CD1 4.04Å; F70-F102 AromaticContact CD2-CE1 3.72Å; F70-F102 HydrophobicContact CD2-CE1 3.72Å; F70-F102 HydrophobicContact CE2-CE1 4.39Å; F70-F102 HydrophobicContact CG-CD1 4.31Å; F70-F102 HydrophobicContact CG-CE1 4.12Å; L72-F102 HydrophobicContact CD1-CB 3.77Å; L72-F102 HydrophobicContact CD1-CD1 4.09Å; L72-F102 HydrophobicContact CD1-CG 4.02Å; L72-F102 HydrophobicContact CD2-CD1 4.39Å; L72-F102 HydrophobicContact CG-CB 4.35Å; L72-F102 HydrophobicContact CG-CD1 4.44Å; V91-F102 HydrophobicContact CG2-CE2 4.44Å; V91-F102 HydrophobicContact CG2-CZ 4.18Å; V100-F102 HydrophobicContact CB-CE1 4.29Å; V100-F102 HydrophobicContact CB-CZ 4.23Å; V100-F102 HydrophobicContact CG2-CD2 4.08Å; V100-F102 HydrophobicContact CG2-CE1 4.02Å; V100-F102 HydrophobicContact CG2-CE2 3.53Å; V100-F102 HydrophobicContact CG2-CZ 3.5Å; F102-S153 CarbonylContact O-C 3.19Å; F102-S153 VanDerWaalsContact O-CA 3.26Å; F102-S153 WeakPolarHBondContact O-CA 3.35Å; F102-F154 HydrophobicContact CB-CD1 4.16Å; F102-F154 HydrophobicContact CB-CD2 4.49Å; F102-F154 HydrophobicContact CB-CE1 3.67Å; F102-F154 HydrophobicContact CB-CE2 4.08Å; F102-F154 HydrophobicContact CB-CZ 3.63Å; F102-F154 HydrophobicContact CD2-CD2 4.29Å; F102-F154 HydrophobicContact CD2-CE1 4.5Å; F102-F154 AromaticContact CD2-CE2 3.49Å; F102-F154 HydrophobicContact CD2-CE2 3.49Å; F102-F154 VanDerWaalsContact CD2-CE2 3.49Å; F102-F154 AromaticContact CD2-CZ 3.61Å; F102-F154 HydrophobicContact CD2-CZ 3.61Å; F102-F154 HydrophobicContact CE2-CE2 4.44Å; F102-F154 HydrophobicContact CG-CE2 4.26Å; F102-F154 HydrophobicContact CG-CZ 4.05Å; F102-F154 PolarHBondContact N-O 3.21Å; F102-F154 PolarHBondContact O-N 3.41Å; F102-F158 HydrophobicContact CE2-CZ 4.17Å; F102-F158 HydrophobicContact CZ-CZ 4.1Å; F102-F167 HydrophobicContact CE2-CE2 4.24Å; F102-F167 HydrophobicContact CE2-CZ 4.37Å
103	N	97.9	Very high	93.5	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	111.6	-180	-60.1	-38.5	0	0	0	109.8	E69 F70 D71 L72 I101 V105 V151 S153	E69-N103 WeakPolarHBondContact CG-ND2 3.32Å; E69-N103 PolarHBondContact OE1-ND2 3.06Å; F70-N103 PolarHBondContact O-N 2.83Å; D71-N103 VanDerWaalsContact OD1-CB 3.24Å; D71-N103 WeakPolarHBondContact OD1-CB 3.39Å; D71-N103 PolarHBondContact OD1-ND2 2.87Å; L72-N103 PolarHBondContact N-O 2.81Å; I101-N103 WeakPolarHBondContact CG2-OD1 3.42Å; N103-V105 HydrophobicContact CB-CG1 3.85Å; N103-V105 PolarHBondContact O-N 3.44Å; N103-V151 HydrophobicContact CB-CG1 3.99Å; N103-S153 VanDerWaalsContact OD1-CB 3.22Å; N103-S153 WeakPolarHBondContact OD1-CB 3.47Å; N103-S153 PolarHBondContact OD1-OG 3.36Å
104	I	97.1	Very high	93.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	106.8	166.3	-52.8	-51.8	0	0	0	108.5	L72 I74 F87 F107 V151 M152	L72-I104 HydrophobicContact CB-CD1 3.61Å; L72-I104 HydrophobicContact CD1-CD1 3.79Å; L72-I104 HydrophobicContact CG-CD1 4.22Å; I74-I104 HydrophobicContact CD1-CG2 3.59Å; I74-I104 HydrophobicContact CG1-CG2 3.79Å; F87-I104 HydrophobicContact CD1-CG1 4.43Å; F87-I104 HydrophobicContact CE1-CG1 4.31Å; I104-F107 HydrophobicContact CB-CD2 4.09Å; I104-F107 HydrophobicContact CB-CE2 3.72Å; I104-F107 HydrophobicContact CG1-CE2 4.28Å; I104-F107 HydrophobicContact CG2-CD2 3.58Å; I104-F107 HydrophobicContact CG2-CE2 3.42Å; I104-F107 VanDerWaalsContact CG2-CE2 3.42Å; I104-F107 HydrophobicContact CG2-CG 4.28Å; I104-F107 HydrophobicContact CG2-CZ 4.01Å; I104-V151 WeakPolarHBondContact O-CA 2.91Å; I104-M152 HydrophobicContact CB-CB 4.35Å; I104-M152 HydrophobicContact CB-CE 4.32Å; I104-M152 HydrophobicContact CG1-CE 3.56Å; I104-M152 PolarHBondContact N-O 2.83Å; I104-M152 PolarHBondContact O-N 2.91Å
105	V	96.1	Very high	92.9	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.024	26%	0.262	C	S	.	.			trans	-100.5	-11.7	-166.3	-61	0	0	0	0	115.4	D71 L72 F73 N103 V151	D71-V105 HydrophobicContact CB-CG1 4.1Å; L72-V105 PolarHBondContact O-N 3.13Å; F73-V105 HydrophobicContact CD1-CG2 3.73Å; F73-V105 HydrophobicContact CD2-CG2 4.26Å; F73-V105 HydrophobicContact CE1-CG2 3.41Å; F73-V105 VanDerWaalsContact CE1-CG2 3.41Å; F73-V105 HydrophobicContact CE2-CG2 3.96Å; F73-V105 HydrophobicContact CG-CG2 4.15Å; F73-V105 HydrophobicContact CZ-CG2 3.54Å; N103-V105 HydrophobicContact CB-CG1 3.85Å; N103-V105 PolarHBondContact O-N 3.44Å; V105-V151 HydrophobicContact CG1-CG1 4.16Å; V105-V151 HydrophobicContact CG1-CG2 4.34Å
106	N	93.4	Very high	92.6	Very high	22 Å²	22	56 Å²	56	12%	0.118	27%	0.268	C	S	.	.			trans	-122	32.8	-170.6	74.3	-17.8	0	0	0	114.5	F73 I74 R84 S108	F73-N106 HydrophobicContact CD1-CB 4.26Å; I74-N106 WeakPolarHBondContact CB-OD1 3.2Å; I74-N106 PolarHBondContact N-ND2 2.88Å; I74-N106 PolarHBondContact N-OD1 3.19Å; I74-N106 PolarHBondContact O-ND2 2.91Å; R84-N106 VanDerWaalsContact CB-O 3.28Å; R84-N106 WeakPolarHBondContact CB-O 3.38Å; R84-N106 WeakPolarHBondContact CD-O 3.31Å; N106-S108 PolarHBondContact O-N 3.39Å
107	F	90.3	Very high	92.4	Very high	17 Å²	17	51.8 Å²	51.8	8%	0.075	25%	0.254	C	S	.	.			trans	-57.9	129.1	174.7	-94.4	-63.4	0	0	0	112	I74 R84 V85 F87 I104 K109 Y114 M152 Y169	I74-F107 HydrophobicContact CD1-CD1 4.18Å; I74-F107 HydrophobicContact CD1-CE1 3.93Å; I74-F107 HydrophobicContact CD1-CZ 4.25Å; R84-F107 WeakPolarHBondContact O-CA 3.42Å; V85-F107 HydrophobicContact CB-CE1 4.47Å; V85-F107 HydrophobicContact CG1-CD1 4.48Å; V85-F107 HydrophobicContact CG1-CE1 4.12Å; V85-F107 WeakPolarHBondContact O-CE1 3.47Å; F87-F107 HydrophobicContact CD1-CZ 4.29Å; F87-F107 HydrophobicContact CE1-CZ 4.05Å; I104-F107 HydrophobicContact CB-CD2 4.09Å; I104-F107 HydrophobicContact CB-CE2 3.72Å; I104-F107 HydrophobicContact CG1-CE2 4.28Å; I104-F107 HydrophobicContact CG2-CD2 3.58Å; I104-F107 HydrophobicContact CG2-CE2 3.42Å; I104-F107 VanDerWaalsContact CG2-CE2 3.42Å; I104-F107 HydrophobicContact CG2-CG 4.28Å; I104-F107 HydrophobicContact CG2-CZ 4.01Å; F107-K109 VanDerWaalsContact C-N 3.32Å; F107-Y114 HydrophobicContact CE2-CE2 4.31Å; F107-Y114 AromaticContact CZ-CE2 3.99Å; F107-Y114 HydrophobicContact CZ-CE2 3.99Å; F107-M152 HydrophobicContact CD2-CB 4.01Å; F107-M152 HydrophobicContact CE2-CB 3.53Å; F107-M152 HydrophobicContact CE2-CE 4.09Å; F107-M152 HydrophobicContact CE2-CG 4.31Å; F107-M152 HydrophobicContact CZ-CE 4.33Å; F107-Y169 HydrophobicContact CE1-CD2 4.3Å; F107-Y169 HydrophobicContact CE1-CE2 4.14Å; F107-Y169 HydrophobicContact CZ-CD2 4.26Å; F107-Y169 HydrophobicContact CZ-CE2 4.29Å
108	S	89.5	Confident	92.4	Very high	49 Å²	49	47.2 Å²	47.2	34%	0.343	23%	0.225	S	C	.	.	S	Bend	trans	-83.3	-7.7	177	72.5	0	0	0	0	113.6	R82 R84 N106	R82-S108 WeakPolarHBondContact O-CB 3.44Å; R82-S108 PolarHBondContact O-OG 3.1Å; R84-S108 PolarHBondContact N-OG 3.08Å; R84-S108 PolarHBondContact O-N 2.66Å; R84-S108 PolarHBondContact O-OG 3.36Å; N106-S108 PolarHBondContact O-N 3.39Å
109	K	84.4	Confident	92.5	Very high	55 Å²	55	46.6 Å²	46.6	24%	0.239	22%	0.223	C	C	.	.			trans	-100.7	130.4	177.5	-75.1	-161.6	-178.9	-166	0	111.2	V85 F107 Y140 Y283 S335	V85-K109 HydrophobicContact CG2-CD 4.28Å; V85-K109 HydrophobicContact CG2-CG 3.88Å; F107-K109 VanDerWaalsContact C-N 3.32Å; K109-Y140 PolarHBondContact O-OH 3.45Å; K109-Y140 VanDerWaalsContact O-OH 3.12Å; K109-Y283 VanDerWaalsContact CE-OH 3.29Å; K109-Y283 WeakPolarHBondContact CE-OH 3.38Å; K109-Y283 PolarHBondContact NZ-OH 3.03Å; K109-S335 WeakPolarHBondContact CD-OG 3.24Å; K109-S335 PolarHBondContact NZ-OG 2.96Å
110	T	79.7	Confident	92.5	Very high	98 Å²	98	37.9 Å²	37.9	60%	0.601	19%	0.19	S	C	*	.	S	Bend	trans	-87.5	-26	178.3	55.2	0	0	0	0	113.4	Y150	T110-Y150 WeakPolarHBondContact O-CE2 3.33Å
111	K	84.5	Confident	92.5	Very high	153 Å²	153	37.8 Å²	37.8	67%	0.665	19%	0.189	S	C	*	.			trans	-109.3	130.1	175.6	-64.3	-174.7	-179	-176.5	0	109.6	T336	K111-T336 HydrophobicContact CB-CG2 3.73Å; K111-T336 WeakPolarHBondContact O-CG2 3.47Å
112	S	88.2	Confident	92.5	Very high	16 Å²	16	35.4 Å²	35.4	11%	0.112	18%	0.178	C	C	.	.			trans	-151.1	149.4	177.4	-177	0	0	0	0	110.9	Y114	S112-Y114 PolarHBondContact O-N 3.07Å; S112-Y114 WeakPolarHBondContact OG-CD2 3.16Å; S112-Y114 PolarHBondContact OG-N 2.92Å
113	L	92.6	Very high	92.5	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.042	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-68.9	-1.6	170.3	-68.6	167.9	0	0	0	113.5	R115 E116 G117 M118 S335 M337 L338 S407 Y409	L113-R115 PolarHBondContact O-N 3.14Å; L113-E116 HydrophobicContact CD2-CB 4.16Å; L113-E116 HydrophobicContact CD2-CG 3.98Å; L113-E116 CarbonylContact O-C 3.53Å; L113-E116 WeakPolarHBondContact O-CA 3.46Å; L113-E116 PolarHBondContact O-N 3.26Å; L113-G117 PolarHBondContact O-N 2.96Å; L113-M118 VanDerWaalsContact C-CB 3.41Å; L113-M118 HydrophobicContact CB-CB 3.84Å; L113-M118 HydrophobicContact CB-SD 4.08Å; L113-M118 WeakPolarHBondContact O-CB 3.35Å; L113-M118 PolarHBondContact O-N 3.41Å; L113-S335 WeakPolarHBondContact CG-O 3.28Å; L113-S335 PolarHBondContact N-O 3.35Å; L113-S335 VanDerWaalsContact N-O 3.13Å; L113-M337 WeakPolarHBondContact CD1-O 3.24Å; L113-L338 HydrophobicContact CD1-CD2 4.18Å; L113-L338 HydrophobicContact CD2-CD2 4.18Å; L113-L338 HydrophobicContact CD2-CG 4.33Å; L113-S407 VanDerWaalsContact CD1-OG 3.31Å; L113-S407 WeakPolarHBondContact CD1-OG 3.31Å; L113-Y409 HydrophobicContact CB-CD1 4.28Å
114	Y	92.2	Very high	92.5	Very high	12 Å²	12	38.3 Å²	38.3	5%	0.047	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-56.9	-27.7	170.2	-74	-61.3	0	0	0	112.3	F107 S112 E116 M118 P120 V138 Y140 M152 Y169	F107-Y114 HydrophobicContact CE2-CE2 4.31Å; F107-Y114 AromaticContact CZ-CE2 3.99Å; F107-Y114 HydrophobicContact CZ-CE2 3.99Å; S112-Y114 PolarHBondContact O-N 3.07Å; S112-Y114 WeakPolarHBondContact OG-CD2 3.16Å; S112-Y114 PolarHBondContact OG-N 2.92Å; Y114-E116 VanDerWaalsContact C-N 3.25Å; Y114-E116 PolarHBondContact O-N 3.47Å; Y114-M118 HydrophobicContact CD1-CB 4.13Å; Y114-M118 HydrophobicContact CD1-CG 4.22Å; Y114-M118 WeakPolarHBondContact CD1-O 3.26Å; Y114-M118 HydrophobicContact CE1-CB 4.49Å; Y114-M118 HydrophobicContact CE1-CE 4.41Å; Y114-M118 HydrophobicContact CE1-CG 4.09Å; Y114-P120 HydrophobicContact CE1-CG 4.31Å; Y114-V138 HydrophobicContact CD1-CG1 4.11Å; Y114-Y140 HydrophobicContact CD2-CD2 4.14Å; Y114-Y140 HydrophobicContact CD2-CE2 4.33Å; Y114-Y140 HydrophobicContact CG-CD2 4.37Å; Y114-M152 HydrophobicContact CD1-CG 4.04Å; Y114-M152 HydrophobicContact CD2-CG 4.03Å; Y114-M152 HydrophobicContact CE1-CE 4.43Å; Y114-M152 HydrophobicContact CE1-CG 4.13Å; Y114-M152 HydrophobicContact CE1-SD 4.35Å; Y114-M152 HydrophobicContact CE2-CG 4.09Å; Y114-M152 HydrophobicContact CG-CG 4.06Å; Y114-Y169 HydrophobicContact CE2-CD2 4.45Å; Y114-Y169 AromaticContact CE2-CE2 3.85Å; Y114-Y169 HydrophobicContact CE2-CE2 3.85Å; Y114-Y169 AromaticContact CZ-CE2 3.97Å; Y114-Y169 WeakPolarHBondContact OH-CD2 3.44Å; Y114-Y169 WeakPolarHBondContact OH-CE2 3.38Å
115	R	88.6	Confident	92.6	Very high	135 Å²	135	42.4 Å²	42.4	51%	0.509	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-70.8	-20.8	172	-65	-175.3	171.6	172.5	-7.9	114.3	L113 Y140 Y150	L113-R115 PolarHBondContact O-N 3.14Å; R115-Y140 HydrophobicContact CG-CD1 3.64Å; R115-Y140 HydrophobicContact CG-CE1 4.3Å; R115-Y150 PolarHBondContact NH2-OH 3.44Å
116	E	90.4	Very high	92.6	Very high	131 Å²	131	44.5 Å²	44.5	61%	0.612	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-104.3	13.7	-176.6	-54.1	-60.9	156.2	0	0	111.4	L113 Y114 Y409	L113-E116 HydrophobicContact CD2-CB 4.16Å; L113-E116 HydrophobicContact CD2-CG 3.98Å; L113-E116 CarbonylContact O-C 3.53Å; L113-E116 WeakPolarHBondContact O-CA 3.46Å; L113-E116 PolarHBondContact O-N 3.26Å; Y114-E116 VanDerWaalsContact C-N 3.25Å; Y114-E116 PolarHBondContact O-N 3.47Å; E116-Y409 WeakPolarHBondContact O-CE1 3.43Å; E116-Y409 PolarHBondContact O-OH 2.92Å
117	G	91.9	Very high	92.8	Very high	20 Å²	20	48.1 Å²	48.1	21%	0.206	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	8.3	177.5	0	0	0	0	0	115.8	L113 P135 Y409	L113-G117 PolarHBondContact O-N 2.96Å; G117-P135 WeakPolarHBondContact O-CG 3.31Å; G117-Y409 VanDerWaalsContact C-CZ 3.45Å; G117-Y409 WeakPolarHBondContact O-CE2 3.24Å; G117-Y409 PolarHBondContact O-OH 3.17Å
118	M	95.4	Very high	93	Very high	1 Å²	1	52 Å²	52	1%	0.005	27%	0.269	C	S	.	.			trans	-56.5	145.6	166.9	-176.9	176.9	163.4	0	0	110	L113 Y114 Y169 F408 Y409	L113-M118 VanDerWaalsContact C-CB 3.41Å; L113-M118 HydrophobicContact CB-CB 3.84Å; L113-M118 HydrophobicContact CB-SD 4.08Å; L113-M118 WeakPolarHBondContact O-CB 3.35Å; L113-M118 PolarHBondContact O-N 3.41Å; Y114-M118 HydrophobicContact CD1-CB 4.13Å; Y114-M118 HydrophobicContact CD1-CG 4.22Å; Y114-M118 WeakPolarHBondContact CD1-O 3.26Å; Y114-M118 HydrophobicContact CE1-CB 4.49Å; Y114-M118 HydrophobicContact CE1-CE 4.41Å; Y114-M118 HydrophobicContact CE1-CG 4.09Å; M118-Y169 HydrophobicContact CE-CE1 4.04Å; M118-Y169 HydrophobicContact CE-CE2 3.99Å; M118-F408 HydrophobicContact CE-CB 3.76Å; M118-F408 HydrophobicContact SD-CB 4.08Å; M118-Y409 HydrophobicContact CB-CD1 4.1Å; M118-Y409 HydrophobicContact CB-CD2 3.99Å; M118-Y409 HydrophobicContact CB-CG 3.7Å; M118-Y409 HydrophobicContact CG-CD2 4.3Å; M118-Y409 HydrophobicContact CG-CG 4.13Å
119	S	97.1	Very high	93.4	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.007	28%	0.281	C	S	.	.			trans	-141.7	153.5	176.8	60.6	0	0	0	0	112	R132 L133	S119-R132 PolarHBondContact O-NH1 3.42Å; S119-L133 WeakPolarHBondContact CB-O 3.36Å; S119-L133 PolarHBondContact OG-O 2.96Å
120	P	97.9	Very high	94	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.			trans	-59.7	166.7	169.4	-20.2	34	0	0	0	111.9	F87 Y114 R132 L133 M152 F154 A168	F87-P120 HydrophobicContact CE2-CB 4.22Å; F87-P120 HydrophobicContact CZ-CB 3.84Å; F87-P120 HydrophobicContact CZ-CG 3.9Å; Y114-P120 HydrophobicContact CE1-CG 4.31Å; P120-R132 WeakPolarHBondContact O-CA 3.36Å; P120-L133 HydrophobicContact CB-CD1 4.07Å; P120-L133 HydrophobicContact CG-CD1 4.22Å; P120-L133 PolarHBondContact O-N 3.05Å; P120-M152 HydrophobicContact CG-CE 3.7Å; P120-M152 HydrophobicContact CG-SD 3.95Å; P120-F154 HydrophobicContact CG-CD1 4.34Å; P120-A168 WeakPolarHBondContact CB-O 3.41Å
121	V	98.6	Very high	94.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.7	172.5	-64.5	0	0	0	0	111	W130 Q131 R132 F167 A168 Y171	V121-W130 HydrophobicContact CB-CE3 3.79Å; V121-W130 HydrophobicContact CB-CZ3 4.37Å; V121-W130 HydrophobicContact CG2-CD2 4.17Å; V121-W130 HydrophobicContact CG2-CE3 3.47Å; V121-W130 VanDerWaalsContact CG2-CE3 3.47Å; V121-W130 HydrophobicContact CG2-CZ3 3.75Å; V121-Q131 CarbonylContact C-O 3.59Å; V121-Q131 WeakPolarHBondContact CA-O 3.44Å; V121-R132 HydrophobicContact CG1-CG 3.84Å; V121-F167 WeakPolarHBondContact O-CA 3.31Å; V121-A168 HydrophobicContact CG2-CB 3.97Å; V121-A168 WeakPolarHBondContact CG2-O 3.36Å; V121-A168 PolarHBondContact N-O 2.87Å; V121-A168 PolarHBondContact O-N 3.02Å; V121-Y171 HydrophobicContact CG1-CD1 3.98Å; V121-Y171 HydrophobicContact CG1-CE1 3.68Å; V121-Y171 HydrophobicContact CG1-CG 4.5Å
122	V	98.7	Very high	95.5	Very high	18 Å²	18	50.4 Å²	50.4	11%	0.109	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.2	176.4	65	0	0	0	0	110.5	Q131 L133 F156 Y165 Q166 F167	V122-Q131 PolarHBondContact N-O 2.73Å; V122-Q131 PolarHBondContact O-N 2.97Å; V122-L133 HydrophobicContact CB-CD2 4.08Å; V122-L133 HydrophobicContact CG1-CD2 3.57Å; V122-L133 HydrophobicContact CG1-CG 4.31Å; V122-F156 HydrophobicContact CG1-CE2 4.24Å; V122-F156 HydrophobicContact CG2-CE2 4.1Å; V122-F156 HydrophobicContact CG2-CZ 4.11Å; V122-Y165 HydrophobicContact CG2-CD1 4.38Å; V122-Q166 CarbonylContact C-O 3.6Å; V122-Q166 VanDerWaalsContact CA-O 3.25Å; V122-Q166 WeakPolarHBondContact CA-O 3.32Å; V122-F167 HydrophobicContact CB-CD1 3.83Å; V122-F167 HydrophobicContact CB-CE1 3.86Å; V122-F167 HydrophobicContact CG2-CD1 3.69Å; V122-F167 HydrophobicContact CG2-CE1 3.39Å; V122-F167 HydrophobicContact CG2-CG 4.4Å; V122-F167 HydrophobicContact CG2-CZ 3.87Å
123	K	98.3	Very high	95.9	Very high	60 Å²	60	49.9 Å²	49.9	26%	0.261	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	169.5	161.9	65.6	167.4	-177.2	166.7	0	109.3	R127 P128 W130 Y165 Q166	K123-R127 WeakPolarHBondContact CB-O 3.32Å; K123-P128 WeakPolarHBondContact CD-O 3.45Å; K123-W130 HydrophobicContact CB-CD2 4.14Å; K123-W130 HydrophobicContact CB-CE3 4.05Å; K123-W130 HydrophobicContact CB-CZ3 4.5Å; K123-W130 HydrophobicContact CD-CD2 3.98Å; K123-W130 HydrophobicContact CD-CE3 4.45Å; K123-W130 HydrophobicContact CD-CG 4.48Å; K123-W130 HydrophobicContact CD-CH2 4.37Å; K123-W130 HydrophobicContact CD-CZ2 3.84Å; K123-W130 VanDerWaalsContact CE-CZ2 3.49Å; K123-W130 HydrophobicContact CG-CD2 3.91Å; K123-W130 HydrophobicContact CG-CE3 3.87Å; K123-W130 HydrophobicContact CG-CH2 4.01Å; K123-W130 HydrophobicContact CG-CZ2 3.99Å; K123-W130 HydrophobicContact CG-CZ3 3.93Å; K123-Y165 CarbonylContact O-C 3.53Å; K123-Y165 WeakPolarHBondContact O-CA 3.18Å; K123-Q166 HydrophobicContact CG-CB 4Å; K123-Q166 PolarHBondContact N-O 3.1Å; K123-Q166 PolarHBondContact O-N 3.27Å
124	S	98.2	Very high	96.1	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.035	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	171.4	170.1	70.1	0	0	0	0	111.5	S126 R127 D163 V164	S124-S126 VanDerWaalsContact C-N 3.32Å; S124-S126 PolarHBondContact O-N 2.98Å; S124-R127 PolarHBondContact N-O 3.31Å; S124-R127 CarbonylContact O-C 3.52Å; S124-R127 PolarHBondContact O-N 3Å; S124-R127 VanDerWaalsContact O-N 3.15Å; S124-R127 PolarHBondContact OG-N 2.97Å; S124-D163 WeakPolarHBondContact CB-OD2 3.33Å; S124-D163 PolarHBondContact OG-OD2 3.19Å; S124-V164 CarbonylContact C-O 3.54Å; S124-V164 WeakPolarHBondContact CA-O 3.47Å
125	T	97.7	Very high	96.2	Very high	86 Å²	86	54.9 Å²	54.9	53%	0.528	28%	0.278	S	S	.	.	S	Bend	trans	-55.3	-44.1	175.1	34	0	0	0	0	112.6	D163 V164	T125-D163 WeakPolarHBondContact OG1-CA 3.28Å; T125-D163 VanDerWaalsContact OG1-CG 3.28Å; T125-D163 PolarHBondContact OG1-OD1 2.95Å; T125-V164 HydrophobicContact CG2-CB 3.94Å; T125-V164 HydrophobicContact CG2-CG2 4.27Å; T125-V164 PolarHBondContact N-O 2.92Å; T125-V164 VanDerWaalsContact N-O 3.13Å; T125-V164 PolarHBondContact OG1-N 3.16Å
126	S	97	Very high	96.6	Very high	47 Å²	47	56.4 Å²	56.4	33%	0.329	29%	0.289	S	S	.	.	S	Bend	trans	-77.7	-21.3	175.9	73.3	0	0	0	0	114.3	S124 P128 R160 D163	S124-S126 VanDerWaalsContact C-N 3.32Å; S124-S126 PolarHBondContact O-N 2.98Å; S126-P128 WeakPolarHBondContact O-CD 3.49Å; S126-R160 WeakPolarHBondContact OG-CD 3.4Å; S126-D163 VanDerWaalsContact CB-OD1 3.25Å; S126-D163 WeakPolarHBondContact CB-OD1 3.31Å; S126-D163 WeakPolarHBondContact CB-OD2 3.49Å; S126-D163 PolarHBondContact N-OD1 3.49Å; S126-D163 PolarHBondContact OG-OD1 3.45Å; S126-D163 PolarHBondContact OG-OD2 2.62Å
127	R	96.9	Very high	96.9	Very high	99 Å²	99	52.5 Å²	52.5	37%	0.374	27%	0.272	S	S	.	.			trans	-124.4	80.6	177.7	-67.4	174.3	-65.9	-144.6	-6.3	110.2	K123 S124 K129 D159	K123-R127 WeakPolarHBondContact CB-O 3.32Å; S124-R127 PolarHBondContact N-O 3.31Å; S124-R127 CarbonylContact O-C 3.52Å; S124-R127 PolarHBondContact O-N 3Å; S124-R127 VanDerWaalsContact O-N 3.15Å; S124-R127 PolarHBondContact OG-N 2.97Å; R127-K129 PolarHBondContact O-N 3.38Å; R127-D159 IonicContact CZ-OD1 3.66Å; R127-D159 IonicContact CZ-OD2 3.27Å; R127-D159 VanDerWaalsContact CZ-OD2 3.27Å; R127-D159 IonicContact NH1-OD1 3.79Å; R127-D159 IonicContact NH1-OD2 2.65Å; R127-D159 PolarHBondContact NH1-OD2 3.08Å; R127-D159 VanDerWaalsContact NH2-CG 3.28Å; R127-D159 IonicContact NH2-OD1 2.68Å; R127-D159 PolarHBondContact NH2-OD1 3.26Å; R127-D159 IonicContact NH2-OD2 3.06Å; R127-D159 PolarHBondContact NH2-OD2 2.87Å
128	P	95.7	Very high	97.1	Very high	97 Å²	97	52.3 Å²	52.3	63%	0.63	27%	0.267	S	S	*	.			trans	-73.9	-10.1	-169.6	28.8	-36.5	0	0	0	114.3	K123 S126	K123-P128 WeakPolarHBondContact CD-O 3.45Å; S126-P128 WeakPolarHBondContact O-CD 3.49Å
129	K	96.9	Very high	97.1	Very high	138 Å²	138	58.3 Å²	58.3	60%	0.6	29%	0.29	S	S	*	.	S	Bend	trans	-81.4	126.7	177.5	-174.3	172.2	-176.4	170.1	0	110.3	R127 E425	R127-K129 PolarHBondContact O-N 3.38Å; K129-E425 IonicContact NZ-OE1 3.99Å
130	W	98	Very high	96.9	Very high	26 Å²	26	59.5 Å²	59.5	10%	0.098	30%	0.295	C	S	.	.			trans	-62.4	135.9	173.7	-69.9	106.8	0	0	0	112.2	V121 K123 Q166 A168 Y171 P172	V121-W130 HydrophobicContact CB-CE3 3.79Å; V121-W130 HydrophobicContact CB-CZ3 4.37Å; V121-W130 HydrophobicContact CG2-CD2 4.17Å; V121-W130 HydrophobicContact CG2-CE3 3.47Å; V121-W130 VanDerWaalsContact CG2-CE3 3.47Å; V121-W130 HydrophobicContact CG2-CZ3 3.75Å; K123-W130 HydrophobicContact CB-CD2 4.14Å; K123-W130 HydrophobicContact CB-CE3 4.05Å; K123-W130 HydrophobicContact CB-CZ3 4.5Å; K123-W130 HydrophobicContact CD-CD2 3.98Å; K123-W130 HydrophobicContact CD-CE3 4.45Å; K123-W130 HydrophobicContact CD-CG 4.48Å; K123-W130 HydrophobicContact CD-CH2 4.37Å; K123-W130 HydrophobicContact CD-CZ2 3.84Å; K123-W130 VanDerWaalsContact CE-CZ2 3.49Å; K123-W130 HydrophobicContact CG-CD2 3.91Å; K123-W130 HydrophobicContact CG-CE3 3.87Å; K123-W130 HydrophobicContact CG-CH2 4.01Å; K123-W130 HydrophobicContact CG-CZ2 3.99Å; K123-W130 HydrophobicContact CG-CZ3 3.93Å; W130-Q166 HydrophobicContact CH2-CB 4Å; W130-Q166 HydrophobicContact CH2-CG 3.68Å; W130-Q166 HydrophobicContact CZ2-CG 4.36Å; W130-Q166 HydrophobicContact CZ3-CB 4.49Å; W130-Q166 WeakPolarHBondContact CZ3-O 3.2Å; W130-A168 HydrophobicContact CH2-CB 3.89Å; W130-A168 HydrophobicContact CZ3-CB 4.05Å; W130-Y171 HydrophobicContact CB-CD1 3.57Å; W130-Y171 HydrophobicContact CB-CE1 3.87Å; W130-Y171 HydrophobicContact CG-CD1 4.16Å; W130-P172 VanDerWaalsContact CE2-CD 3.48Å; W130-P172 HydrophobicContact CH2-CG 3.95Å; W130-P172 VanDerWaalsContact CZ2-CD 3.43Å; W130-P172 HydrophobicContact CZ2-CG 3.54Å
131	Q	96.9	Very high	96.6	Very high	119 Å²	119	64.1 Å²	64.1	56%	0.556	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.1	175.2	-65	-176.7	-19.3	0	0	109.8	V121 V122	V121-Q131 CarbonylContact C-O 3.59Å; V121-Q131 WeakPolarHBondContact CA-O 3.44Å; V122-Q131 PolarHBondContact N-O 2.73Å; V122-Q131 PolarHBondContact O-N 2.97Å
132	R	97.4	Very high	96.1	Very high	40 Å²	40	71.5 Å²	71.5	15%	0.151	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	138	171.7	-76.3	-172.5	-175.5	-80.2	3.6	109.9	S119 P120 V121 F408 Y409 Y422	S119-R132 PolarHBondContact O-NH1 3.42Å; P120-R132 WeakPolarHBondContact O-CA 3.36Å; V121-R132 HydrophobicContact CG1-CG 3.84Å; R132-F408 PolarHBondContact NH2-O 3.32Å; R132-Y409 PolarHBondContact NH2-O 3.26Å; R132-Y422 PolarHBondContact NE-O 2.95Å; R132-Y422 PolarHBondContact NH2-O 2.81Å
133	L	97.9	Very high	95.6	Very high	5 Å²	5	71.2 Å²	71.2	3%	0.026	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-61.6	145.6	169.6	-69.5	176.6	0	0	0	109.8	S119 P120 V122 P135 V138 F154 F156	S119-L133 WeakPolarHBondContact CB-O 3.36Å; S119-L133 PolarHBondContact OG-O 2.96Å; P120-L133 HydrophobicContact CB-CD1 4.07Å; P120-L133 HydrophobicContact CG-CD1 4.22Å; P120-L133 PolarHBondContact O-N 3.05Å; V122-L133 HydrophobicContact CB-CD2 4.08Å; V122-L133 HydrophobicContact CG1-CD2 3.57Å; V122-L133 HydrophobicContact CG1-CG 4.31Å; L133-P135 WeakPolarHBondContact O-CD 3.43Å; L133-V138 HydrophobicContact CB-CG2 4.22Å; L133-F154 HydrophobicContact CD1-CB 4.09Å; L133-F154 HydrophobicContact CD1-CD2 3.38Å; L133-F154 HydrophobicContact CD1-CE2 3.91Å; L133-F154 HydrophobicContact CD1-CG 3.86Å; L133-F156 HydrophobicContact CD2-CD2 3.72Å; L133-F156 HydrophobicContact CD2-CE2 3.8Å
134	P	96.4	Very high	94.9	Very high	58 Å²	58	72.8 Å²	72.8	38%	0.377	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-55.6	126.2	173.9	-25.1	34.7	0	0	0	110.3	K136 N137	P134-K136 HydrophobicContact CB-CG 4.03Å; P134-K136 PolarHBondContact O-N 3.39Å; P134-K136 VanDerWaalsContact O-N 3.1Å; P134-N137 WeakPolarHBondContact O-CB 3.44Å; P134-N137 PolarHBondContact O-N 2.74Å
135	P	94.9	Very high	94.2	Very high	67 Å²	67	79.4 Å²	79.4	44%	0.435	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-56.6	-32	-177.4	-28.5	35.6	0	0	0	113.5	G117 L133 N137 V138	G117-P135 WeakPolarHBondContact O-CG 3.31Å; L133-P135 WeakPolarHBondContact O-CD 3.43Å; P135-N137 PolarHBondContact O-N 2.9Å; P135-N137 VanDerWaalsContact O-N 3.13Å; P135-V138 PolarHBondContact O-N 2.83Å
136	K	95.5	Very high	93.4	Very high	167 Å²	167	77.6 Å²	77.6	73%	0.726	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-61.8	-17	175.6	66.5	176	-174.9	178	0	114.7	P134 Y139	P134-K136 HydrophobicContact CB-CG 4.03Å; P134-K136 PolarHBondContact O-N 3.39Å; P134-K136 VanDerWaalsContact O-N 3.1Å; K136-Y139 PolarHBondContact O-OH 2.86Å
137	N	97.3	Very high	92.7	Very high	49 Å²	49	84 Å²	84	26%	0.262	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-98.1	2.2	177.4	-68.5	14.8	0	0	0	112.2	P134 P135 F154 A155	P134-N137 WeakPolarHBondContact O-CB 3.44Å; P134-N137 PolarHBondContact O-N 2.74Å; P135-N137 PolarHBondContact O-N 2.9Å; P135-N137 VanDerWaalsContact O-N 3.13Å; N137-F154 CarbonylContact O-C 3.58Å; N137-F154 VanDerWaalsContact O-CA 3.23Å; N137-F154 WeakPolarHBondContact O-CA 2.97Å; N137-A155 PolarHBondContact ND2-O 3.08Å; N137-A155 PolarHBondContact O-N 3.4Å
138	V	97.3	Very high	91.8	Very high	15 Å²	15	87.5 Å²	87.5	9%	0.091	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.3	-176.3	-176.1	0	0	0	0	109.2	Y114 L133 P135 M152 S153 F154	Y114-V138 HydrophobicContact CD1-CG1 4.11Å; L133-V138 HydrophobicContact CB-CG2 4.22Å; P135-V138 PolarHBondContact O-N 2.83Å; V138-M152 HydrophobicContact CG1-CG 4.2Å; V138-M152 HydrophobicContact CG1-SD 3.92Å; V138-S153 CarbonylContact C-O 3.51Å; V138-S153 WeakPolarHBondContact CA-O 3.23Å; V138-F154 HydrophobicContact CG2-CB 4.02Å
139	Y	94.5	Very high	91.3	Very high	128 Å²	128	86.4 Å²	86.4	50%	0.502	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.9	-176.3	-51.2	-81.9	0	0	0	109.3	K136 M152 S153	K136-Y139 PolarHBondContact O-OH 2.86Å; Y139-M152 CarbonylContact O-C 3.6Å; Y139-M152 VanDerWaalsContact O-CA 3.3Å; Y139-M152 WeakPolarHBondContact O-CA 3.5Å; Y139-S153 PolarHBondContact N-O 3.13Å; Y139-S153 PolarHBondContact O-N 2.68Å
140	Y	93	Very high	90.9	Very high	26 Å²	26	82 Å²	82	10%	0.102	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	105.7	178.1	-173.6	-102.7	0	0	0	111	K109 Y114 R115 Y150 V151 M152	K109-Y140 PolarHBondContact O-OH 3.45Å; K109-Y140 VanDerWaalsContact O-OH 3.12Å; Y114-Y140 HydrophobicContact CD2-CD2 4.14Å; Y114-Y140 HydrophobicContact CD2-CE2 4.33Å; Y114-Y140 HydrophobicContact CG-CD2 4.37Å; R115-Y140 HydrophobicContact CG-CD1 3.64Å; R115-Y140 HydrophobicContact CG-CE1 4.3Å; Y140-Y150 HydrophobicContact CD1-CD1 4.27Å; Y140-Y150 AromaticContact CE1-CD1 3.7Å; Y140-Y150 HydrophobicContact CE1-CD1 3.7Å; Y140-Y150 HydrophobicContact CE1-CE1 4.35Å; Y140-Y150 AromaticContact CE1-CG 3.94Å; Y140-Y150 HydrophobicContact CE1-CG 3.94Å; Y140-Y150 HydrophobicContact CE2-CG 4.43Å; Y140-Y150 AromaticContact CZ-CD1 3.92Å; Y140-Y150 AromaticContact CZ-CG 3.7Å; Y140-Y150 VanDerWaalsContact OH-CB 3.27Å; Y140-Y150 WeakPolarHBondContact OH-CB 3.42Å; Y140-V151 WeakPolarHBondContact CA-O 3.45Å; Y140-M152 HydrophobicContact CD2-CB 3.84Å; Y140-M152 HydrophobicContact CD2-CG 4.26Å; Y140-M152 HydrophobicContact CE2-CB 4.41Å
141	Y	91.1	Very high	90.7	Very high	97 Å²	97	80.8 Å²	80.8	38%	0.38	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	165	-167.7	60.8	-83.1	0	0	0	111.5	C143 Y150 V151 S153	Y141-C143 HydrophobicContact CD2-CB 4.33Å; Y141-C143 HydrophobicContact CE2-CB 3.97Å; Y141-Y150 CarbonylContact O-C 3.43Å; Y141-Y150 WeakPolarHBondContact O-CA 3.42Å; Y141-Y150 WeakPolarHBondContact O-CD1 3.36Å; Y141-V151 HydrophobicContact CE1-CB 4.44Å; Y141-V151 HydrophobicContact CE1-CG1 4.45Å; Y141-V151 HydrophobicContact CE2-CB 4.36Å; Y141-V151 PolarHBondContact N-O 2.9Å; Y141-V151 VanDerWaalsContact N-O 3.09Å; Y141-V151 PolarHBondContact O-N 2.81Å; Y141-S153 WeakPolarHBondContact CE1-OG 3.32Å; Y141-S153 PolarHBondContact OH-OG 3.06Å
142	R	88.9	Confident	90.6	Very high	154 Å²	154	75.1 Å²	75.1	58%	0.581	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	118.9	176.7	-164.1	177.9	-171.9	-176.3	-1.6	108.3	R148 N149 Y150	R142-R148 VanDerWaalsContact CG-O 3.24Å; R142-R148 WeakPolarHBondContact CG-O 3.43Å; R142-R148 PolarHBondContact NE-O 3.24Å; R142-N149 WeakPolarHBondContact CA-O 3.35Å; R142-Y150 HydrophobicContact CB-CD1 4.28Å; R142-Y150 HydrophobicContact CB-CE1 3.91Å; R142-Y150 HydrophobicContact CG-CE1 4.44Å
143	C	87.3	Confident	90.6	Very high	13 Å²	13	73.4 Å²	73.4	9%	0.088	34%	0.338	C	S	.	.			trans	-102.3	118.6	-177.7	-173	0	0	0	0	110.8	Y141 D145 H146 R148 N149 V151	Y141-C143 HydrophobicContact CD2-CB 4.33Å; Y141-C143 HydrophobicContact CE2-CB 3.97Å; C143-D145 VanDerWaalsContact C-N 3.27Å; C143-D145 PolarHBondContact O-N 3.26Å; C143-H146 HydrophobicContact CB-CB 4.36Å; C143-H146 PolarHBondContact O-N 3.4Å; C143-H146 VanDerWaalsContact SG-CD2 3.56Å; C143-R148 WeakPolarHBondContact O-CA 3.02Å; C143-R148 PolarHBondContact O-N 2.84Å; C143-R148 VanDerWaalsContact O-N 3.1Å; C143-N149 PolarHBondContact N-O 2.86Å; C143-V151 HydrophobicContact CB-CB 4.41Å; C143-V151 HydrophobicContact CB-CG2 3.49Å; C143-V151 VanDerWaalsContact CB-CG2 3.49Å
144	P	84.4	Confident	90.6	Very high	93 Å²	93	73.1 Å²	73.1	60%	0.604	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-40.8	175.6	-25.1	35.4	0	0	0	113.1	H146 R147 R148	P144-H146 VanDerWaalsContact C-N 3.28Å; P144-H146 PolarHBondContact O-N 3.42Å; P144-R147 PolarHBondContact O-N 2.77Å; P144-R148 PolarHBondContact O-N 2.91Å
145	D	82.5	Confident	90.7	Very high	144 Å²	144	71.8 Å²	71.8	77%	0.77	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-26	-174.3	-55.4	-39.2	0	0	0	112.5	C143 R147	C143-D145 VanDerWaalsContact C-N 3.27Å; C143-D145 PolarHBondContact O-N 3.26Å; D145-R147 VanDerWaalsContact C-N 3.34Å; D145-R147 PolarHBondContact O-N 3.45Å
146	H	82.2	Confident	90.9	Very high	47 Å²	47	69.9 Å²	69.9	22%	0.218	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	51.1	172.1	-60.2	-63.2	0	0	0	112.3	D71 C143 P144 R148 N149 V151	D71-H146 IonicContact OD2-CE1 3.93Å; D71-H146 PolarHBondContact OD2-CE1 3.36Å; D71-H146 IonicContact OD2-NE2 3.57Å; C143-H146 HydrophobicContact CB-CB 4.36Å; C143-H146 PolarHBondContact O-N 3.4Å; C143-H146 VanDerWaalsContact SG-CD2 3.56Å; P144-H146 VanDerWaalsContact C-N 3.28Å; P144-H146 PolarHBondContact O-N 3.42Å; H146-R148 PolarHBondContact O-N 3.08Å; H146-R148 VanDerWaalsContact O-N 3.11Å; H146-N149 WeakPolarHBondContact O-CB 2.65Å; H146-N149 PolarHBondContact O-N 3.3Å; H146-N149 PolarHBondContact O-ND2 2.94Å; H146-V151 HydrophobicContact CB-CG2 4.31Å
147	R	81.4	Confident	91	Very high	182 Å²	182	64.8 Å²	64.8	69%	0.687	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	32	178.3	-55.3	-179.2	-177.2	172.6	0.9	113.3	P144 D145 N149	P144-R147 PolarHBondContact O-N 2.77Å; D145-R147 VanDerWaalsContact C-N 3.34Å; D145-R147 PolarHBondContact O-N 3.45Å; R147-N149 PolarHBondContact O-N 2.99Å
148	R	78.6	Confident	91	Very high	173 Å²	173	62.5 Å²	62.5	65%	0.653	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	24.8	-174.2	-56	178.4	173.6	178.9	-2.3	114	R142 C143 P144 H146	R142-R148 VanDerWaalsContact CG-O 3.24Å; R142-R148 WeakPolarHBondContact CG-O 3.43Å; R142-R148 PolarHBondContact NE-O 3.24Å; C143-R148 WeakPolarHBondContact O-CA 3.02Å; C143-R148 PolarHBondContact O-N 2.84Å; C143-R148 VanDerWaalsContact O-N 3.1Å; P144-R148 PolarHBondContact O-N 2.91Å; H146-R148 PolarHBondContact O-N 3.08Å; H146-R148 VanDerWaalsContact O-N 3.11Å
149	N	84.6	Confident	90.9	Very high	73 Å²	73	64.6 Å²	64.6	39%	0.39	30%	0.299	S	S	.	.			trans	-72.9	164.7	170.9	-70.1	-30.9	0	0	0	111.2	R142 C143 H146 R147	R142-N149 WeakPolarHBondContact CA-O 3.35Å; C143-N149 PolarHBondContact N-O 2.86Å; H146-N149 WeakPolarHBondContact O-CB 2.65Å; H146-N149 PolarHBondContact O-N 3.3Å; H146-N149 PolarHBondContact O-ND2 2.94Å; R147-N149 PolarHBondContact O-N 2.99Å
150	Y	88.7	Confident	91	Very high	46 Å²	46	65 Å²	65	18%	0.18	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	131.5	169.1	-76.5	-72.2	0	0	0	110.5	T110 R115 Y140 Y141 R142	T110-Y150 WeakPolarHBondContact O-CE2 3.33Å; R115-Y150 PolarHBondContact NH2-OH 3.44Å; Y140-Y150 HydrophobicContact CD1-CD1 4.27Å; Y140-Y150 AromaticContact CE1-CD1 3.7Å; Y140-Y150 HydrophobicContact CE1-CD1 3.7Å; Y140-Y150 HydrophobicContact CE1-CE1 4.35Å; Y140-Y150 AromaticContact CE1-CG 3.94Å; Y140-Y150 HydrophobicContact CE1-CG 3.94Å; Y140-Y150 HydrophobicContact CE2-CG 4.43Å; Y140-Y150 AromaticContact CZ-CD1 3.92Å; Y140-Y150 AromaticContact CZ-CG 3.7Å; Y140-Y150 VanDerWaalsContact OH-CB 3.27Å; Y140-Y150 WeakPolarHBondContact OH-CB 3.42Å; Y141-Y150 CarbonylContact O-C 3.43Å; Y141-Y150 WeakPolarHBondContact O-CA 3.42Å; Y141-Y150 WeakPolarHBondContact O-CD1 3.36Å; R142-Y150 HydrophobicContact CB-CD1 4.28Å; R142-Y150 HydrophobicContact CB-CE1 3.91Å; R142-Y150 HydrophobicContact CG-CE1 4.44Å
151	V	93.7	Very high	91.1	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135	174.1	-178.5	0	0	0	0	108.3	N103 I104 V105 Y140 Y141 C143 H146	N103-V151 HydrophobicContact CB-CG1 3.99Å; I104-V151 WeakPolarHBondContact O-CA 2.91Å; V105-V151 HydrophobicContact CG1-CG1 4.16Å; V105-V151 HydrophobicContact CG1-CG2 4.34Å; Y140-V151 WeakPolarHBondContact CA-O 3.45Å; Y141-V151 HydrophobicContact CE1-CB 4.44Å; Y141-V151 HydrophobicContact CE1-CG1 4.45Å; Y141-V151 HydrophobicContact CE2-CB 4.36Å; Y141-V151 PolarHBondContact N-O 2.9Å; Y141-V151 VanDerWaalsContact N-O 3.09Å; Y141-V151 PolarHBondContact O-N 2.81Å; C143-V151 HydrophobicContact CB-CB 4.41Å; C143-V151 HydrophobicContact CB-CG2 3.49Å; C143-V151 VanDerWaalsContact CB-CG2 3.49Å; H146-V151 HydrophobicContact CB-CG2 4.31Å
152	M	95.8	Very high	91.3	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112	167.9	-170.8	-88.6	-67.6	0	0	108.6	F87 I104 F107 Y114 P120 V138 Y139 Y140 F154	F87-M152 HydrophobicContact CE1-CE 3.62Å; F87-M152 HydrophobicContact CZ-CE 3.67Å; I104-M152 HydrophobicContact CB-CB 4.35Å; I104-M152 HydrophobicContact CB-CE 4.32Å; I104-M152 HydrophobicContact CG1-CE 3.56Å; I104-M152 PolarHBondContact N-O 2.83Å; I104-M152 PolarHBondContact O-N 2.91Å; F107-M152 HydrophobicContact CD2-CB 4.01Å; F107-M152 HydrophobicContact CE2-CB 3.53Å; F107-M152 HydrophobicContact CE2-CE 4.09Å; F107-M152 HydrophobicContact CE2-CG 4.31Å; F107-M152 HydrophobicContact CZ-CE 4.33Å; Y114-M152 HydrophobicContact CD1-CG 4.04Å; Y114-M152 HydrophobicContact CD2-CG 4.03Å; Y114-M152 HydrophobicContact CE1-CE 4.43Å; Y114-M152 HydrophobicContact CE1-CG 4.13Å; Y114-M152 HydrophobicContact CE1-SD 4.35Å; Y114-M152 HydrophobicContact CE2-CG 4.09Å; Y114-M152 HydrophobicContact CG-CG 4.06Å; P120-M152 HydrophobicContact CG-CE 3.7Å; P120-M152 HydrophobicContact CG-SD 3.95Å; V138-M152 HydrophobicContact CG1-CG 4.2Å; V138-M152 HydrophobicContact CG1-SD 3.92Å; Y139-M152 CarbonylContact O-C 3.6Å; Y139-M152 VanDerWaalsContact O-CA 3.3Å; Y139-M152 WeakPolarHBondContact O-CA 3.5Å; Y140-M152 HydrophobicContact CD2-CB 3.84Å; Y140-M152 HydrophobicContact CD2-CG 4.26Å; Y140-M152 HydrophobicContact CE2-CB 4.41Å; M152-F154 HydrophobicContact CE-CD1 4.17Å; M152-F154 HydrophobicContact CE-CE1 4.41Å; M152-F154 HydrophobicContact SD-CD1 3.83Å
153	S	96.8	Very high	91.8	Very high	4 Å²	4	62.2 Å²	62.2	3%	0.028	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.3	179.4	-54	0	0	0	0	109.7	F102 N103 V138 Y139 Y141	F102-S153 CarbonylContact O-C 3.19Å; F102-S153 VanDerWaalsContact O-CA 3.26Å; F102-S153 WeakPolarHBondContact O-CA 3.35Å; N103-S153 VanDerWaalsContact OD1-CB 3.22Å; N103-S153 WeakPolarHBondContact OD1-CB 3.47Å; N103-S153 PolarHBondContact OD1-OG 3.36Å; V138-S153 CarbonylContact C-O 3.51Å; V138-S153 WeakPolarHBondContact CA-O 3.23Å; Y139-S153 PolarHBondContact N-O 3.13Å; Y139-S153 PolarHBondContact O-N 2.68Å; Y141-S153 WeakPolarHBondContact CE1-OG 3.32Å; Y141-S153 PolarHBondContact OH-OG 3.06Å
154	F	98.4	Very high	92.3	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.1	169.1	63.4	-84.1	0	0	0	112.2	F89 F102 P120 L133 N137 V138 M152 F167	F89-F154 HydrophobicContact CZ-CZ 4.22Å; F102-F154 HydrophobicContact CB-CD1 4.16Å; F102-F154 HydrophobicContact CB-CD2 4.49Å; F102-F154 HydrophobicContact CB-CE1 3.67Å; F102-F154 HydrophobicContact CB-CE2 4.08Å; F102-F154 HydrophobicContact CB-CZ 3.63Å; F102-F154 HydrophobicContact CD2-CD2 4.29Å; F102-F154 HydrophobicContact CD2-CE1 4.5Å; F102-F154 AromaticContact CD2-CE2 3.49Å; F102-F154 HydrophobicContact CD2-CE2 3.49Å; F102-F154 VanDerWaalsContact CD2-CE2 3.49Å; F102-F154 AromaticContact CD2-CZ 3.61Å; F102-F154 HydrophobicContact CD2-CZ 3.61Å; F102-F154 HydrophobicContact CE2-CE2 4.44Å; F102-F154 HydrophobicContact CG-CE2 4.26Å; F102-F154 HydrophobicContact CG-CZ 4.05Å; F102-F154 PolarHBondContact N-O 3.21Å; F102-F154 PolarHBondContact O-N 3.41Å; P120-F154 HydrophobicContact CG-CD1 4.34Å; L133-F154 HydrophobicContact CD1-CB 4.09Å; L133-F154 HydrophobicContact CD1-CD2 3.38Å; L133-F154 HydrophobicContact CD1-CE2 3.91Å; L133-F154 HydrophobicContact CD1-CG 3.86Å; N137-F154 CarbonylContact O-C 3.58Å; N137-F154 VanDerWaalsContact O-CA 3.23Å; N137-F154 WeakPolarHBondContact O-CA 2.97Å; V138-F154 HydrophobicContact CG2-CB 4.02Å; M152-F154 HydrophobicContact CE-CD1 4.17Å; M152-F154 HydrophobicContact CE-CE1 4.41Å; M152-F154 HydrophobicContact SD-CD1 3.83Å; F154-F167 AromaticContact CE2-CD1 3.64Å; F154-F167 HydrophobicContact CE2-CD1 3.64Å; F154-F167 AromaticContact CE2-CE1 3.78Å; F154-F167 HydrophobicContact CE2-CE1 3.78Å; F154-F167 HydrophobicContact CE2-CG 4.26Å; F154-F167 HydrophobicContact CZ-CD1 4.07Å; F154-F167 HydrophobicContact CZ-CG 4.29Å
155	A	98.3	Very high	93	Very high	30 Å²	30	59.1 Å²	59.1	25%	0.248	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131	176.2	0	0	0	0	0	110.3	V100 N137	V100-A155 CarbonylContact O-C 3.48Å; V100-A155 WeakPolarHBondContact O-CA 3.34Å; N137-A155 PolarHBondContact ND2-O 3.08Å; N137-A155 PolarHBondContact O-N 3.4Å
156	F	98.4	Very high	93.8	Very high	26 Å²	26	53.8 Å²	53.8	11%	0.114	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.9	-179.8	-162.6	-100.2	0	0	0	111.2	R99 V100 V122 L133 F158 Y165 F167	R99-F156 CarbonylContact C-O 3.59Å; R99-F156 WeakPolarHBondContact CA-O 3.31Å; V100-F156 HydrophobicContact CG2-CB 4.13Å; V100-F156 PolarHBondContact N-O 3.17Å; V100-F156 PolarHBondContact O-N 3.26Å; V122-F156 HydrophobicContact CG1-CE2 4.24Å; V122-F156 HydrophobicContact CG2-CE2 4.1Å; V122-F156 HydrophobicContact CG2-CZ 4.11Å; L133-F156 HydrophobicContact CD2-CD2 3.72Å; L133-F156 HydrophobicContact CD2-CE2 3.8Å; F156-F158 AromaticContact CD1-CD1 3.66Å; F156-F158 HydrophobicContact CD1-CD1 3.66Å; F156-F158 AromaticContact CD1-CE1 3.59Å; F156-F158 HydrophobicContact CD1-CE1 3.59Å; F156-F158 HydrophobicContact CD1-CE2 4.5Å; F156-F158 HydrophobicContact CD1-CG 4.15Å; F156-F158 HydrophobicContact CD1-CZ 4.04Å; F156-F158 AromaticContact CE1-CD1 3.49Å; F156-F158 HydrophobicContact CE1-CD1 3.49Å; F156-F158 VanDerWaalsContact CE1-CD1 3.49Å; F156-F158 AromaticContact CE1-CE1 3.69Å; F156-F158 HydrophobicContact CE1-CE1 3.69Å; F156-F158 HydrophobicContact CE1-CG 4.22Å; F156-Y165 AromaticContact CE1-CD1 3.62Å; F156-Y165 HydrophobicContact CE1-CD1 3.62Å; F156-Y165 AromaticContact CE1-CE1 3.72Å; F156-Y165 HydrophobicContact CE1-CE1 3.72Å; F156-Y165 HydrophobicContact CE1-CG 4.34Å; F156-Y165 AromaticContact CZ-CD1 3.65Å; F156-Y165 HydrophobicContact CZ-CD1 3.65Å; F156-Y165 AromaticContact CZ-CE1 3.78Å; F156-Y165 HydrophobicContact CZ-CE1 3.78Å; F156-F167 HydrophobicContact CD1-CE1 4.34Å; F156-F167 AromaticContact CD1-CZ 3.81Å; F156-F167 HydrophobicContact CD1-CZ 3.81Å; F156-F167 AromaticContact CD2-CE1 3.78Å; F156-F167 HydrophobicContact CD2-CE1 3.78Å; F156-F167 HydrophobicContact CD2-CZ 4.1Å; F156-F167 HydrophobicContact CE1-CE1 4.46Å; F156-F167 AromaticContact CE1-CZ 3.91Å; F156-F167 HydrophobicContact CE1-CZ 3.91Å; F156-F167 AromaticContact CE2-CE1 3.92Å; F156-F167 HydrophobicContact CE2-CE1 3.92Å; F156-F167 HydrophobicContact CE2-CZ 4.2Å; F156-F167 AromaticContact CG-CE1 4Å; F156-F167 HydrophobicContact CG-CE1 4Å; F156-F167 AromaticContact CG-CZ 3.9Å; F156-F167 HydrophobicContact CG-CZ 3.9Å; F156-F167 HydrophobicContact CZ-CE1 4.26Å; F156-F167 HydrophobicContact CZ-CZ 4.1Å
157	C	98	Very high	94.5	Very high	61 Å²	61	51.6 Å²	51.6	41%	0.412	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.4	174.9	-177.1	0	0	0	0	107.8	Q98 R99	Q98-C157 WeakPolarHBondContact O-CA 3.24Å; R99-C157 HydrophobicContact CG-CB 4.29Å
158	F	97.9	Very high	95.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.			trans	-71.4	140.8	175.4	-59.9	-72.4	0	0	0	110	L48 V91 V94 T97 Q98 V100 F102 F156 Y165 F167	L48-F158 HydrophobicContact CD1-CE2 4.36Å; L48-F158 HydrophobicContact CD2-CE2 4.12Å; V91-F158 HydrophobicContact CB-CZ 4.5Å; V91-F158 HydrophobicContact CG1-CE1 4.43Å; V91-F158 HydrophobicContact CG1-CZ 4Å; V94-F158 HydrophobicContact CB-CB 3.99Å; V94-F158 HydrophobicContact CB-CD1 3.95Å; V94-F158 HydrophobicContact CB-CD2 3.99Å; V94-F158 HydrophobicContact CB-CE1 4.43Å; V94-F158 HydrophobicContact CB-CE2 4.45Å; V94-F158 HydrophobicContact CB-CG 3.71Å; V94-F158 HydrophobicContact CG1-CD1 3.55Å; V94-F158 HydrophobicContact CG1-CD2 4Å; V94-F158 HydrophobicContact CG1-CE1 3.58Å; V94-F158 HydrophobicContact CG1-CE2 4.01Å; V94-F158 HydrophobicContact CG1-CG 3.77Å; V94-F158 HydrophobicContact CG1-CZ 3.81Å; V94-F158 HydrophobicContact CG2-CB 4.01Å; V94-F158 HydrophobicContact CG2-CD1 4.19Å; V94-F158 HydrophobicContact CG2-CG 4.13Å; T97-F158 WeakPolarHBondContact CA-O 3.43Å; T97-F158 PolarHBondContact N-O 3.43Å; Q98-F158 HydrophobicContact CB-CD2 4.11Å; Q98-F158 HydrophobicContact CG-CD2 4.34Å; Q98-F158 WeakPolarHBondContact O-CD2 3.26Å; Q98-F158 PolarHBondContact O-N 3.35Å; V100-F158 HydrophobicContact CB-CE2 4.4Å; V100-F158 HydrophobicContact CG1-CE2 3.92Å; V100-F158 HydrophobicContact CG2-CD2 4.43Å; V100-F158 HydrophobicContact CG2-CE2 3.54Å; V100-F158 HydrophobicContact CG2-CZ 3.96Å; F102-F158 HydrophobicContact CE2-CZ 4.17Å; F102-F158 HydrophobicContact CZ-CZ 4.1Å; F156-F158 AromaticContact CD1-CD1 3.66Å; F156-F158 HydrophobicContact CD1-CD1 3.66Å; F156-F158 AromaticContact CD1-CE1 3.59Å; F156-F158 HydrophobicContact CD1-CE1 3.59Å; F156-F158 HydrophobicContact CD1-CE2 4.5Å; F156-F158 HydrophobicContact CD1-CG 4.15Å; F156-F158 HydrophobicContact CD1-CZ 4.04Å; F156-F158 AromaticContact CE1-CD1 3.49Å; F156-F158 HydrophobicContact CE1-CD1 3.49Å; F156-F158 VanDerWaalsContact CE1-CD1 3.49Å; F156-F158 AromaticContact CE1-CE1 3.69Å; F156-F158 HydrophobicContact CE1-CE1 3.69Å; F156-F158 HydrophobicContact CE1-CG 4.22Å; F158-Y165 HydrophobicContact CD1-CD1 4.22Å; F158-Y165 AromaticContact CD1-CD2 3.63Å; F158-Y165 HydrophobicContact CD1-CD2 3.63Å; F158-Y165 HydrophobicContact CD1-CE1 4.24Å; F158-Y165 AromaticContact CD1-CE2 3.69Å; F158-Y165 HydrophobicContact CD1-CE2 3.69Å; F158-Y165 AromaticContact CD1-CG 3.91Å; F158-Y165 HydrophobicContact CD1-CG 3.91Å; F158-Y165 AromaticContact CD1-CZ 3.98Å; F158-Y165 HydrophobicContact CE1-CD1 4.47Å; F158-Y165 AromaticContact CE1-CD2 3.92Å; F158-Y165 HydrophobicContact CE1-CD2 3.92Å; F158-Y165 HydrophobicContact CE1-CE2 4.43Å; F158-Y165 AromaticContact CE1-CG 3.94Å; F158-Y165 HydrophobicContact CE1-CG 3.94Å; F158-F167 HydrophobicContact CE1-CE2 4.49Å; F158-F167 HydrophobicContact CE1-CZ 4.37Å
159	D	95.6	Very high	96.3	Very high	60 Å²	60	34.8 Å²	34.8	32%	0.321	18%	0.178	S	C	.	.			trans	-128.4	-4	-172.8	65.7	-34.1	0	0	0	113.4	R127 Y165	R127-D159 IonicContact CZ-OD1 3.66Å; R127-D159 IonicContact CZ-OD2 3.27Å; R127-D159 VanDerWaalsContact CZ-OD2 3.27Å; R127-D159 IonicContact NH1-OD1 3.79Å; R127-D159 IonicContact NH1-OD2 2.65Å; R127-D159 PolarHBondContact NH1-OD2 3.08Å; R127-D159 VanDerWaalsContact NH2-CG 3.28Å; R127-D159 IonicContact NH2-OD1 2.68Å; R127-D159 PolarHBondContact NH2-OD1 3.26Å; R127-D159 IonicContact NH2-OD2 3.06Å; R127-D159 PolarHBondContact NH2-OD2 2.87Å; D159-Y165 PolarHBondContact N-OH 3.24Å; D159-Y165 PolarHBondContact OD1-OH 2.88Å
160	R	95.8	Very high	96.9	Very high	137 Å²	137	31.3 Å²	31.3	52%	0.517	16%	0.16	S	C	.	.			trans	-144.8	117.9	175.2	-66.4	-170	175.4	-146.7	-3.6	110.8	V94 S126 D162 D163 Y165	V94-R160 WeakPolarHBondContact CG2-O 3.5Å; S126-R160 WeakPolarHBondContact OG-CD 3.4Å; R160-D162 VanDerWaalsContact C-N 3.3Å; R160-D162 PolarHBondContact O-N 3.06Å; R160-D163 HydrophobicContact CB-CB 3.94Å; R160-D163 PolarHBondContact O-N 2.9Å; R160-Y165 PolarHBondContact N-OH 3.06Å
161	E	95.6	Very high	97.4	Very high	62 Å²	62	29.9 Å²	29.9	29%	0.29	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-25.1	-174.9	-56.1	-154.8	152.8	0	0	114.9	K45 R95 E96 D163	K45-E161 HydrophobicContact CD-CB 4.38Å; K45-E161 PolarHBondContact NZ-O 3.35Å; R95-E161 WeakPolarHBondContact CA-OE1 3.26Å; R95-E161 WeakPolarHBondContact CG-OE1 3.42Å; E96-E161 HydrophobicContact CB-CG 3.68Å; E96-E161 PolarHBondContact N-OE1 3.45Å; E161-D163 VanDerWaalsContact C-N 3.35Å
162	D	95.6	Very high	97.6	Very high	143 Å²	143	30.3 Å²	30.3	77%	0.765	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.7	-178.7	-60.6	-36.4	0	0	0	112.4	K45 R160	K45-D162 IonicContact NZ-OD1 3.07Å; K45-D162 PolarHBondContact NZ-OD1 2.78Å; R160-D162 VanDerWaalsContact C-N 3.3Å; R160-D162 PolarHBondContact O-N 3.06Å
163	D	97.5	Very high	97.8	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.07	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-83.9	142.3	178.3	-94.9	-1.3	0	0	0	112.2	S124 T125 S126 R160 E161 Y165	S124-D163 WeakPolarHBondContact CB-OD2 3.33Å; S124-D163 PolarHBondContact OG-OD2 3.19Å; T125-D163 WeakPolarHBondContact OG1-CA 3.28Å; T125-D163 VanDerWaalsContact OG1-CG 3.28Å; T125-D163 PolarHBondContact OG1-OD1 2.95Å; S126-D163 VanDerWaalsContact CB-OD1 3.25Å; S126-D163 WeakPolarHBondContact CB-OD1 3.31Å; S126-D163 WeakPolarHBondContact CB-OD2 3.49Å; S126-D163 PolarHBondContact N-OD1 3.49Å; S126-D163 PolarHBondContact OG-OD1 3.45Å; S126-D163 PolarHBondContact OG-OD2 2.62Å; R160-D163 HydrophobicContact CB-CB 3.94Å; R160-D163 PolarHBondContact O-N 2.9Å; E161-D163 VanDerWaalsContact C-N 3.35Å; D163-Y165 HydrophobicContact CB-CD2 4.1Å; D163-Y165 HydrophobicContact CB-CE2 3.51Å
164	V	98.5	Very high	97.9	Very high	40 Å²	40	31.7 Å²	31.7	24%	0.242	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-95	121	161	-177.1	0	0	0	0	107.8	T90 E92 S124 T125	T90-V164 HydrophobicContact CG2-CG1 3.97Å; E92-V164 HydrophobicContact CB-CB 4.42Å; E92-V164 HydrophobicContact CB-CG1 4.24Å; E92-V164 HydrophobicContact CB-CG2 3.87Å; S124-V164 CarbonylContact C-O 3.54Å; S124-V164 WeakPolarHBondContact CA-O 3.47Å; T125-V164 HydrophobicContact CG2-CB 3.94Å; T125-V164 HydrophobicContact CG2-CG2 4.27Å; T125-V164 PolarHBondContact N-O 2.92Å; T125-V164 VanDerWaalsContact N-O 3.13Å; T125-V164 PolarHBondContact OG1-N 3.16Å
165	Y	98.8	Very high	97.9	Very high	1 Å²	1	33 Å²	33	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	132.1	178.9	-67.6	-103.1	0	0	0	109.3	T90 V91 V94 V122 K123 F156 F158 D159 R160 D163	T90-Y165 CarbonylContact C-O 3.52Å; T90-Y165 WeakPolarHBondContact CA-O 3.4Å; V91-Y165 PolarHBondContact N-O 3.46Å; V91-Y165 PolarHBondContact O-N 3.17Å; V94-Y165 HydrophobicContact CG1-CD2 4.36Å; V94-Y165 HydrophobicContact CG2-CD2 4.38Å; V94-Y165 HydrophobicContact CG2-CE2 3.92Å; V122-Y165 HydrophobicContact CG2-CD1 4.38Å; K123-Y165 CarbonylContact O-C 3.53Å; K123-Y165 WeakPolarHBondContact O-CA 3.18Å; F156-Y165 AromaticContact CE1-CD1 3.62Å; F156-Y165 HydrophobicContact CE1-CD1 3.62Å; F156-Y165 AromaticContact CE1-CE1 3.72Å; F156-Y165 HydrophobicContact CE1-CE1 3.72Å; F156-Y165 HydrophobicContact CE1-CG 4.34Å; F156-Y165 AromaticContact CZ-CD1 3.65Å; F156-Y165 HydrophobicContact CZ-CD1 3.65Å; F156-Y165 AromaticContact CZ-CE1 3.78Å; F156-Y165 HydrophobicContact CZ-CE1 3.78Å; F158-Y165 HydrophobicContact CD1-CD1 4.22Å; F158-Y165 AromaticContact CD1-CD2 3.63Å; F158-Y165 HydrophobicContact CD1-CD2 3.63Å; F158-Y165 HydrophobicContact CD1-CE1 4.24Å; F158-Y165 AromaticContact CD1-CE2 3.69Å; F158-Y165 HydrophobicContact CD1-CE2 3.69Å; F158-Y165 AromaticContact CD1-CG 3.91Å; F158-Y165 HydrophobicContact CD1-CG 3.91Å; F158-Y165 AromaticContact CD1-CZ 3.98Å; F158-Y165 HydrophobicContact CE1-CD1 4.47Å; F158-Y165 AromaticContact CE1-CD2 3.92Å; F158-Y165 HydrophobicContact CE1-CD2 3.92Å; F158-Y165 HydrophobicContact CE1-CE2 4.43Å; F158-Y165 AromaticContact CE1-CG 3.94Å; F158-Y165 HydrophobicContact CE1-CG 3.94Å; D159-Y165 PolarHBondContact N-OH 3.24Å; D159-Y165 PolarHBondContact OD1-OH 2.88Å; R160-Y165 PolarHBondContact N-OH 3.06Å; D163-Y165 HydrophobicContact CB-CD2 4.1Å; D163-Y165 HydrophobicContact CB-CE2 3.51Å
166	Q	98.9	Very high	97.9	Very high	32 Å²	32	34.2 Å²	34.2	15%	0.15	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.9	175.8	-164.5	177.8	-2.3	0	0	109.7	N88 F89 T90 V122 K123 W130	N88-Q166 PolarHBondContact OD1-NE2 3.12Å; F89-Q166 CarbonylContact O-C 3.56Å; F89-Q166 WeakPolarHBondContact O-CA 3.05Å; F89-Q166 WeakPolarHBondContact O-CG 3.37Å; T90-Q166 HydrophobicContact CG2-CB 3.92Å; T90-Q166 HydrophobicContact CG2-CG 3.74Å; V122-Q166 CarbonylContact C-O 3.6Å; V122-Q166 VanDerWaalsContact CA-O 3.25Å; V122-Q166 WeakPolarHBondContact CA-O 3.32Å; K123-Q166 HydrophobicContact CG-CB 4Å; K123-Q166 PolarHBondContact N-O 3.1Å; K123-Q166 PolarHBondContact O-N 3.27Å; W130-Q166 HydrophobicContact CH2-CB 4Å; W130-Q166 HydrophobicContact CH2-CG 3.68Å; W130-Q166 HydrophobicContact CZ2-CG 4.36Å; W130-Q166 HydrophobicContact CZ3-CB 4.49Å; W130-Q166 WeakPolarHBondContact CZ3-O 3.2Å
167	F	98.9	Very high	97.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138	177.8	-59.7	-88.7	0	0	0	109.9	N88 F89 V91 F102 V121 V122 F154 F156 F158	N88-F167 VanDerWaalsContact CA-O 3.28Å; N88-F167 WeakPolarHBondContact CA-O 3.26Å; F89-F167 HydrophobicContact CD2-CD2 4.43Å; F89-F167 HydrophobicContact CE1-CB 4.03Å; F89-F167 HydrophobicContact CE2-CB 4.2Å; F89-F167 AromaticContact CE2-CD2 3.81Å; F89-F167 HydrophobicContact CE2-CD2 3.81Å; F89-F167 HydrophobicContact CE2-CG 4.34Å; F89-F167 HydrophobicContact CZ-CB 3.84Å; F89-F167 HydrophobicContact CZ-CD2 4.16Å; F89-F167 HydrophobicContact CZ-CG 4.24Å; F89-F167 PolarHBondContact N-O 2.83Å; F89-F167 PolarHBondContact O-N 3.13Å; V91-F167 HydrophobicContact CB-CE2 4.42Å; V91-F167 HydrophobicContact CG2-CD2 4.19Å; V91-F167 HydrophobicContact CG2-CE2 4.03Å; F102-F167 HydrophobicContact CE2-CE2 4.24Å; F102-F167 HydrophobicContact CE2-CZ 4.37Å; V121-F167 WeakPolarHBondContact O-CA 3.31Å; V122-F167 HydrophobicContact CB-CD1 3.83Å; V122-F167 HydrophobicContact CB-CE1 3.86Å; V122-F167 HydrophobicContact CG2-CD1 3.69Å; V122-F167 HydrophobicContact CG2-CE1 3.39Å; V122-F167 HydrophobicContact CG2-CG 4.4Å; V122-F167 HydrophobicContact CG2-CZ 3.87Å; F154-F167 AromaticContact CE2-CD1 3.64Å; F154-F167 HydrophobicContact CE2-CD1 3.64Å; F154-F167 AromaticContact CE2-CE1 3.78Å; F154-F167 HydrophobicContact CE2-CE1 3.78Å; F154-F167 HydrophobicContact CE2-CG 4.26Å; F154-F167 HydrophobicContact CZ-CD1 4.07Å; F154-F167 HydrophobicContact CZ-CG 4.29Å; F156-F167 HydrophobicContact CD1-CE1 4.34Å; F156-F167 AromaticContact CD1-CZ 3.81Å; F156-F167 HydrophobicContact CD1-CZ 3.81Å; F156-F167 AromaticContact CD2-CE1 3.78Å; F156-F167 HydrophobicContact CD2-CE1 3.78Å; F156-F167 HydrophobicContact CD2-CZ 4.1Å; F156-F167 HydrophobicContact CE1-CE1 4.46Å; F156-F167 AromaticContact CE1-CZ 3.91Å; F156-F167 HydrophobicContact CE1-CZ 3.91Å; F156-F167 AromaticContact CE2-CE1 3.92Å; F156-F167 HydrophobicContact CE2-CE1 3.92Å; F156-F167 HydrophobicContact CE2-CZ 4.2Å; F156-F167 AromaticContact CG-CE1 4Å; F156-F167 HydrophobicContact CG-CE1 4Å; F156-F167 AromaticContact CG-CZ 3.9Å; F156-F167 HydrophobicContact CG-CZ 3.9Å; F156-F167 HydrophobicContact CZ-CE1 4.26Å; F156-F167 HydrophobicContact CZ-CZ 4.1Å; F158-F167 HydrophobicContact CE1-CE2 4.49Å; F158-F167 HydrophobicContact CE1-CZ 4.37Å
168	A	98.8	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.9	176.9	0	0	0	0	0	112.9	F87 N88 P120 V121 W130 C170 P172	F87-A168 VanDerWaalsContact O-CA 3.31Å; F87-A168 WeakPolarHBondContact O-CA 3.15Å; N88-A168 HydrophobicContact CB-CB 4.23Å; P120-A168 WeakPolarHBondContact CB-O 3.41Å; V121-A168 HydrophobicContact CG2-CB 3.97Å; V121-A168 WeakPolarHBondContact CG2-O 3.36Å; V121-A168 PolarHBondContact N-O 2.87Å; V121-A168 PolarHBondContact O-N 3.02Å; W130-A168 HydrophobicContact CH2-CB 3.89Å; W130-A168 HydrophobicContact CZ3-CB 4.05Å; A168-C170 VanDerWaalsContact C-N 3.3Å; A168-C170 WeakPolarHBondContact CB-O 3.34Å; A168-C170 PolarHBondContact O-N 3.39Å; A168-P172 HydrophobicContact CB-CG 3.72Å
169	Y	98.3	Very high	98	Very high	3 Å²	3	36 Å²	36	1%	0.012	17%	0.174	C	C	.	.	S	Bend	trans	-58.6	-41.2	178	177.6	-101.1	0	0	0	112.5	V85 W86 F87 F107 Y114 M118 F408	V85-Y169 HydrophobicContact CG1-CD2 4.45Å; V85-Y169 HydrophobicContact CG1-CE1 4.27Å; V85-Y169 HydrophobicContact CG1-CE2 3.9Å; V85-Y169 WeakPolarHBondContact O-CD2 3.3Å; W86-Y169 HydrophobicContact CE3-CD1 4.13Å; W86-Y169 HydrophobicContact CE3-CG 4.45Å; W86-Y169 HydrophobicContact CZ3-CD1 4.46Å; F87-Y169 HydrophobicContact CD1-CD2 4.26Å; F87-Y169 AromaticContact CE1-CD2 3.85Å; F87-Y169 HydrophobicContact CE1-CD2 3.85Å; F87-Y169 HydrophobicContact CE1-CG 4.38Å; F87-Y169 PolarHBondContact O-N 3.12Å; F107-Y169 HydrophobicContact CE1-CD2 4.3Å; F107-Y169 HydrophobicContact CE1-CE2 4.14Å; F107-Y169 HydrophobicContact CZ-CD2 4.26Å; F107-Y169 HydrophobicContact CZ-CE2 4.29Å; Y114-Y169 HydrophobicContact CE2-CD2 4.45Å; Y114-Y169 AromaticContact CE2-CE2 3.85Å; Y114-Y169 HydrophobicContact CE2-CE2 3.85Å; Y114-Y169 AromaticContact CZ-CE2 3.97Å; Y114-Y169 WeakPolarHBondContact OH-CD2 3.44Å; Y114-Y169 WeakPolarHBondContact OH-CE2 3.38Å; M118-Y169 HydrophobicContact CE-CE1 4.04Å; M118-Y169 HydrophobicContact CE-CE2 3.99Å; Y169-F408 HydrophobicContact CD1-CD1 4.18Å; Y169-F408 HydrophobicContact CD1-CE1 4.06Å; Y169-F408 AromaticContact CE1-CD1 3.64Å; Y169-F408 HydrophobicContact CE1-CD1 3.64Å; Y169-F408 HydrophobicContact CE1-CD2 4.24Å; Y169-F408 AromaticContact CE1-CE1 3.66Å; Y169-F408 HydrophobicContact CE1-CE1 3.66Å; Y169-F408 HydrophobicContact CE1-CE2 4.27Å; Y169-F408 AromaticContact CE1-CG 3.91Å; Y169-F408 HydrophobicContact CE1-CG 3.91Å; Y169-F408 AromaticContact CE1-CZ 3.97Å; Y169-F408 HydrophobicContact CE1-CZ 3.97Å
170	C	98	Very high	98.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-151.5	176.5	172.2	-163.9	0	0	0	0	108.7	W86 A168 P172 F408	W86-C170 WeakPolarHBondContact CH2-O 3.49Å; W86-C170 HydrophobicContact CZ3-CB 4.37Å; A168-C170 VanDerWaalsContact C-N 3.3Å; A168-C170 WeakPolarHBondContact CB-O 3.34Å; A168-C170 PolarHBondContact O-N 3.39Å; C170-P172 WeakPolarHBondContact O-CD 3.36Å; C170-P172 VanDerWaalsContact O-N 3.11Å; C170-F408 HydrophobicContact CB-CD1 3.81Å; C170-F408 HydrophobicContact CB-CE1 4.23Å
171	Y	98.4	Very high	98.3	Very high	15 Å²	15	34 Å²	34	6%	0.059	17%	0.167	C	C	.	.			trans	-54	115.7	178.9	-50.3	-78.2	0	0	0	110.9	V121 W130 S238 Y422 E424 Y427	V121-Y171 HydrophobicContact CG1-CD1 3.98Å; V121-Y171 HydrophobicContact CG1-CE1 3.68Å; V121-Y171 HydrophobicContact CG1-CG 4.5Å; W130-Y171 HydrophobicContact CB-CD1 3.57Å; W130-Y171 HydrophobicContact CB-CE1 3.87Å; W130-Y171 HydrophobicContact CG-CD1 4.16Å; Y171-S238 WeakPolarHBondContact O-CB 3.4Å; Y171-S238 PolarHBondContact O-OG 3.49Å; Y171-Y422 VanDerWaalsContact CE2-O 3.28Å; Y171-Y422 WeakPolarHBondContact CE2-O 3.08Å; Y171-Y422 PolarHBondContact OH-O 3.35Å; Y171-E424 HydrophobicContact CD1-CG 3.88Å; Y171-E424 HydrophobicContact CD2-CG 4.39Å; Y171-E424 HydrophobicContact CE1-CG 4.49Å; Y171-E424 HydrophobicContact CG-CG 3.83Å; Y171-Y427 HydrophobicContact CD2-CD2 4.43Å; Y171-Y427 AromaticContact CD2-CE2 3.92Å; Y171-Y427 HydrophobicContact CD2-CE2 3.92Å; Y171-Y427 HydrophobicContact CE2-CE2 4.04Å
172	P	98.4	Very high	98.5	Very high	9 Å²	9	31.2 Å²	31.2	6%	0.058	15%	0.154	C	C	.	.			trans	-67.8	137.5	178.5	-22.8	36.2	0	0	0	111.8	W86 W130 A168 C170	W86-P172 HydrophobicContact CH2-CB 4.2Å; W86-P172 HydrophobicContact CH2-CG 4.06Å; W86-P172 HydrophobicContact CZ2-CB 4.23Å; W86-P172 HydrophobicContact CZ2-CG 4.2Å; W130-P172 VanDerWaalsContact CE2-CD 3.48Å; W130-P172 HydrophobicContact CH2-CG 3.95Å; W130-P172 VanDerWaalsContact CZ2-CD 3.43Å; W130-P172 HydrophobicContact CZ2-CG 3.54Å; A168-P172 HydrophobicContact CB-CG 3.72Å; C170-P172 WeakPolarHBondContact O-CD 3.36Å; C170-P172 VanDerWaalsContact O-N 3.11Å
173	Y	98.8	Very high	98.6	Very high	4 Å²	4	26 Å²	26	2%	0.016	13%	0.131	C	C	.	.			trans	-125.6	96.8	169.4	-162	-61.8	0	0	0	107.6	R177 L178 F242 Q245 M272	Y173-R177 HydrophobicContact CE1-CB 4.44Å; Y173-R177 HydrophobicContact CE1-CG 4.2Å; Y173-L178 HydrophobicContact CE1-CB 3.82Å; Y173-L178 HydrophobicContact CE1-CD1 4.23Å; Y173-F242 AromaticContact CD2-CD1 3.92Å; Y173-F242 HydrophobicContact CD2-CD1 3.92Å; Y173-F242 HydrophobicContact CD2-CD2 4.05Å; Y173-F242 AromaticContact CD2-CE1 3.75Å; Y173-F242 HydrophobicContact CD2-CE1 3.75Å; Y173-F242 AromaticContact CD2-CE2 3.9Å; Y173-F242 HydrophobicContact CD2-CE2 3.9Å; Y173-F242 HydrophobicContact CD2-CG 4.07Å; Y173-F242 AromaticContact CD2-CZ 3.75Å; Y173-F242 HydrophobicContact CD2-CZ 3.75Å; Y173-F242 HydrophobicContact CE2-CD1 4.24Å; Y173-F242 HydrophobicContact CE2-CE1 4.28Å; Y173-F242 HydrophobicContact CG-CE2 4.45Å; Y173-F242 HydrophobicContact CG-CZ 4.47Å; Y173-Q245 PolarHBondContact OH-OE1 3.16Å; Y173-M272 HydrophobicContact CD1-CE 4.31Å
174	T	98.8	Very high	98.7	Very high	30 Å²	30	27.4 Å²	27.4	18%	0.184	14%	0.142	C	C	.	.			trans	-79.9	162.4	-173.1	76.2	0	0	0	0	112	E55 T176 R177 L178	E55-T174 HydrophobicContact CG-CG2 4.34Å; E55-T174 WeakPolarHBondContact OE1-CB 3.44Å; E55-T174 WeakPolarHBondContact OE2-CB 3.13Å; E55-T174 PolarHBondContact OE2-OG1 3.44Å; T174-T176 VanDerWaalsContact C-N 3.33Å; T174-R177 PolarHBondContact O-N 3.04Å; T174-R177 PolarHBondContact OG1-N 3.05Å; T174-L178 PolarHBondContact O-N 2.92Å; T174-L178 VanDerWaalsContact O-N 3.11Å
175	Y	98.8	Very high	98.7	Very high	26 Å²	26	25.7 Å²	25.7	10%	0.102	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-40.1	174.6	169.8	-97	0	0	0	110.3	E55 R177 L178 Q179 R205 R206 M272 P275	E55-Y175 VanDerWaalsContact OE1-CA 3.3Å; E55-Y175 WeakPolarHBondContact OE1-CA 3.39Å; E55-Y175 VanDerWaalsContact OE1-CB 3.26Å; E55-Y175 WeakPolarHBondContact OE1-CB 3.43Å; E55-Y175 PolarHBondContact OE1-N 3.27Å; Y175-R177 VanDerWaalsContact C-N 3.34Å; Y175-R177 PolarHBondContact O-N 3.41Å; Y175-L178 WeakPolarHBondContact O-CB 3.45Å; Y175-L178 PolarHBondContact O-N 2.9Å; Y175-L178 VanDerWaalsContact O-N 3.11Å; Y175-Q179 HydrophobicContact CD1-CG 4.04Å; Y175-Q179 HydrophobicContact CD2-CG 4.39Å; Y175-Q179 HydrophobicContact CE1-CG 3.56Å; Y175-Q179 HydrophobicContact CE2-CG 3.96Å; Y175-Q179 HydrophobicContact CG-CG 4.43Å; Y175-Q179 WeakPolarHBondContact O-CG 3.34Å; Y175-Q179 PolarHBondContact O-N 3.48Å; Y175-R205 HydrophobicContact CE1-CB 4.23Å; Y175-R205 HydrophobicContact CE1-CG 4.21Å; Y175-R205 HydrophobicContact CE2-CB 4.15Å; Y175-R206 WeakPolarHBondContact OH-CB 3.24Å; Y175-R206 PolarHBondContact OH-N 2.81Å; Y175-M272 HydrophobicContact CD2-SD 3.75Å; Y175-M272 HydrophobicContact CG-SD 4.34Å; Y175-P275 HydrophobicContact CD2-CB 3.51Å; Y175-P275 HydrophobicContact CE2-CB 3.67Å; Y175-P275 HydrophobicContact CG-CB 4.34Å
176	T	98.8	Very high	98.6	Very high	57 Å²	57	30.6 Å²	30.6	35%	0.35	15%	0.154	S	C	.	.	H	α-helix	trans	-60	-41.7	174.3	-53.2	0	0	0	0	112	E55 T174 L178 Q179 H180	E55-T176 VanDerWaalsContact CD-OG1 3.24Å; E55-T176 PolarHBondContact OE1-N 2.97Å; E55-T176 PolarHBondContact OE1-OG1 3.47Å; E55-T176 WeakPolarHBondContact OE2-CB 3.26Å; E55-T176 PolarHBondContact OE2-OG1 2.88Å; T174-T176 VanDerWaalsContact C-N 3.33Å; T176-L178 VanDerWaalsContact C-N 3.33Å; T176-L178 PolarHBondContact O-N 2.91Å; T176-Q179 PolarHBondContact O-N 2.93Å; T176-H180 WeakPolarHBondContact CG2-NE2 3.3Å; T176-H180 PolarHBondContact O-CD2 3.48Å; T176-H180 PolarHBondContact O-N 2.95Å
177	R	98.7	Very high	98.5	Very high	83 Å²	83	38.7 Å²	38.7	31%	0.313	18%	0.183	S	C	.	.	H	α-helix	trans	-57.8	-45.7	173.1	-179.7	179.5	179.9	163.3	4	111	Y173 T174 Y175 H180 Y181 E424	Y173-R177 HydrophobicContact CE1-CB 4.44Å; Y173-R177 HydrophobicContact CE1-CG 4.2Å; T174-R177 PolarHBondContact O-N 3.04Å; T174-R177 PolarHBondContact OG1-N 3.05Å; Y175-R177 VanDerWaalsContact C-N 3.34Å; Y175-R177 PolarHBondContact O-N 3.41Å; R177-H180 PolarHBondContact O-N 3.3Å; R177-Y181 WeakPolarHBondContact O-CB 3.45Å; R177-Y181 PolarHBondContact O-N 3.17Å; R177-E424 IonicContact CZ-OE2 3.73Å; R177-E424 IonicContact NH1-OE1 3.35Å; R177-E424 IonicContact NH1-OE2 3.34Å; R177-E424 PolarHBondContact NH1-OE2 2.84Å; R177-E424 VanDerWaalsContact NH1-OE2 3.15Å; R177-E424 IonicContact NH2-OE2 2.81Å; R177-E424 PolarHBondContact NH2-OE2 2.98Å
178	L	98.9	Very high	98.5	Very high	7 Å²	7	44 Å²	44	4%	0.037	20%	0.203	C	C	.	.	H	α-helix	trans	-58.9	-50	176	-178.2	60.7	0	0	0	111.2	Y173 T174 Y175 T176 H180 Y181 L182 P271 M272	Y173-L178 HydrophobicContact CE1-CB 3.82Å; Y173-L178 HydrophobicContact CE1-CD1 4.23Å; T174-L178 PolarHBondContact O-N 2.92Å; T174-L178 VanDerWaalsContact O-N 3.11Å; Y175-L178 WeakPolarHBondContact O-CB 3.45Å; Y175-L178 PolarHBondContact O-N 2.9Å; Y175-L178 VanDerWaalsContact O-N 3.11Å; T176-L178 VanDerWaalsContact C-N 3.33Å; T176-L178 PolarHBondContact O-N 2.91Å; L178-H180 VanDerWaalsContact C-N 3.33Å; L178-H180 PolarHBondContact O-N 3.09Å; L178-Y181 HydrophobicContact CD1-CD1 4.29Å; L178-Y181 WeakPolarHBondContact O-CB 3.43Å; L178-Y181 PolarHBondContact O-N 2.86Å; L178-Y181 VanDerWaalsContact O-N 3.15Å; L178-L182 HydrophobicContact CD1-CD1 4.02Å; L178-L182 HydrophobicContact CD1-CD2 4.21Å; L178-L182 HydrophobicContact CD1-CG 3.89Å; L178-L182 HydrophobicContact CD2-CD1 4.47Å; L178-L182 HydrophobicContact CG-CD1 3.95Å; L178-L182 HydrophobicContact CG-CG 4.16Å; L178-L182 WeakPolarHBondContact O-CG 3.49Å; L178-L182 PolarHBondContact O-N 2.98Å; L178-P271 HydrophobicContact CD1-CB 3.8Å; L178-P271 HydrophobicContact CD1-CG 4.44Å; L178-P271 HydrophobicContact CD2-CB 4.08Å; L178-M272 HydrophobicContact CB-CE 4.19Å; L178-M272 HydrophobicContact CD2-CB 3.44Å; L178-M272 VanDerWaalsContact CD2-CB 3.44Å; L178-M272 HydrophobicContact CD2-CE 3.96Å; L178-M272 HydrophobicContact CD2-CG 4.36Å; L178-M272 HydrophobicContact CD2-SD 4.05Å
179	Q	98.9	Very high	98.4	Very high	34 Å²	34	50.8 Å²	50.8	16%	0.159	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-42.2	-177.3	-68.3	-57.9	-58.9	0	0	112	Y175 T176 A183 D208	Y175-Q179 HydrophobicContact CD1-CG 4.04Å; Y175-Q179 HydrophobicContact CD2-CG 4.39Å; Y175-Q179 HydrophobicContact CE1-CG 3.56Å; Y175-Q179 HydrophobicContact CE2-CG 3.96Å; Y175-Q179 HydrophobicContact CG-CG 4.43Å; Y175-Q179 WeakPolarHBondContact O-CG 3.34Å; Y175-Q179 PolarHBondContact O-N 3.48Å; T176-Q179 PolarHBondContact O-N 2.93Å; Q179-A183 VanDerWaalsContact O-CB 3.24Å; Q179-A183 WeakPolarHBondContact O-CB 3.35Å; Q179-A183 PolarHBondContact O-N 3.47Å; Q179-D208 PolarHBondContact NE2-OD2 2.99Å; Q179-D208 PolarHBondContact OE1-OD2 3.17Å
180	H	98.8	Very high	98.3	Very high	131 Å²	131	51.8 Å²	51.8	61%	0.606	25%	0.245	S	C	*	.	H	α-helix	trans	-64.4	-42.7	174.2	-74.8	-55.8	0	0	0	112.6	T176 R177 L178 A183 S184	T176-H180 WeakPolarHBondContact CG2-NE2 3.3Å; T176-H180 PolarHBondContact O-CD2 3.48Å; T176-H180 PolarHBondContact O-N 2.95Å; R177-H180 PolarHBondContact O-N 3.3Å; L178-H180 VanDerWaalsContact C-N 3.33Å; L178-H180 PolarHBondContact O-N 3.09Å; H180-A183 PolarHBondContact O-N 2.97Å; H180-S184 WeakPolarHBondContact O-CB 3.19Å; H180-S184 PolarHBondContact O-N 2.77Å
181	Y	98.9	Very high	98.3	Very high	25 Å²	25	57 Å²	57	10%	0.098	28%	0.279	C	S	.	.	H	α-helix	trans	-59.2	-51	175.5	168	-111.2	0	0	0	111.3	R177 L178 A183 S184 L185 Q245 I248 D249	R177-Y181 WeakPolarHBondContact O-CB 3.45Å; R177-Y181 PolarHBondContact O-N 3.17Å; L178-Y181 HydrophobicContact CD1-CD1 4.29Å; L178-Y181 WeakPolarHBondContact O-CB 3.43Å; L178-Y181 PolarHBondContact O-N 2.86Å; L178-Y181 VanDerWaalsContact O-N 3.15Å; Y181-A183 PolarHBondContact O-N 3.08Å; Y181-S184 WeakPolarHBondContact O-CB 3.43Å; Y181-S184 PolarHBondContact O-N 2.63Å; Y181-S184 VanDerWaalsContact O-N 3.1Å; Y181-S184 PolarHBondContact O-OG 3.1Å; Y181-L185 HydrophobicContact CE1-CD1 3.83Å; Y181-L185 HydrophobicContact CE2-CD1 4.1Å; Y181-L185 HydrophobicContact CE2-CD2 4.33Å; Y181-L185 HydrophobicContact CE2-CG 4.14Å; Y181-L185 PolarHBondContact O-N 3.06Å; Y181-L185 VanDerWaalsContact O-N 3.08Å; Y181-Q245 HydrophobicContact CE1-CG 3.94Å; Y181-Q245 HydrophobicContact CE2-CG 3.98Å; Y181-I248 HydrophobicContact CE1-CD1 4.27Å; Y181-I248 HydrophobicContact CE1-CG2 4.29Å; Y181-I248 VanDerWaalsContact OH-CG2 3.24Å; Y181-I248 WeakPolarHBondContact OH-CG2 3.35Å; Y181-D249 WeakPolarHBondContact CE2-OD1 3.24Å; Y181-D249 PolarHBondContact OH-OD1 3.15Å
182	L	98.8	Very high	98.2	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-40.3	179.5	-62.8	-175.2	0	0	0	112.4	L178 S184 L185 E186 D208 L210 P271	L178-L182 HydrophobicContact CD1-CD1 4.02Å; L178-L182 HydrophobicContact CD1-CD2 4.21Å; L178-L182 HydrophobicContact CD1-CG 3.89Å; L178-L182 HydrophobicContact CD2-CD1 4.47Å; L178-L182 HydrophobicContact CG-CD1 3.95Å; L178-L182 HydrophobicContact CG-CG 4.16Å; L178-L182 WeakPolarHBondContact O-CG 3.49Å; L178-L182 PolarHBondContact O-N 2.98Å; L182-S184 VanDerWaalsContact C-N 3.28Å; L182-S184 PolarHBondContact O-N 2.9Å; L182-L185 HydrophobicContact CD2-CD1 4.48Å; L182-L185 PolarHBondContact O-N 3.38Å; L182-E186 WeakPolarHBondContact O-CB 3.48Å; L182-E186 PolarHBondContact O-N 3.34Å; L182-D208 HydrophobicContact CD1-CB 3.72Å; L182-L210 HydrophobicContact CD2-CD1 3.72Å; L182-L210 HydrophobicContact CD2-CD2 4.07Å; L182-L210 HydrophobicContact CD2-CG 4.36Å; L182-P271 HydrophobicContact CD1-CG 4.49Å
183	A	98.6	Very high	98.2	Very high	34 Å²	34	58.2 Å²	58.2	28%	0.281	29%	0.285	S	S	.	.	H	α-helix	trans	-63.7	-34.1	174	0	0	0	0	0	112	Q179 H180 Y181 R187	Q179-A183 VanDerWaalsContact O-CB 3.24Å; Q179-A183 WeakPolarHBondContact O-CB 3.35Å; Q179-A183 PolarHBondContact O-N 3.47Å; H180-A183 PolarHBondContact O-N 2.97Å; Y181-A183 PolarHBondContact O-N 3.08Å; A183-R187 WeakPolarHBondContact O-CG 3.28Å; A183-R187 PolarHBondContact O-N 2.86Å; A183-R187 VanDerWaalsContact O-N 3.1Å
184	S	98.6	Very high	98.2	Very high	42 Å²	42	63.8 Å²	63.8	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-66.1	-36.9	173.6	82	0	0	0	0	112.6	H180 Y181 L182	H180-S184 WeakPolarHBondContact O-CB 3.19Å; H180-S184 PolarHBondContact O-N 2.77Å; Y181-S184 WeakPolarHBondContact O-CB 3.43Å; Y181-S184 PolarHBondContact O-N 2.63Å; Y181-S184 VanDerWaalsContact O-N 3.1Å; Y181-S184 PolarHBondContact O-OG 3.1Å; L182-S184 VanDerWaalsContact C-N 3.28Å; L182-S184 PolarHBondContact O-N 2.9Å
185	L	98.1	Very high	98.2	Very high	5 Å²	5	64 Å²	64	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-70.1	-42.9	176.3	-68.9	-178.1	0	0	0	111.8	Y181 L182 R187 R188 L193 I248 V252	Y181-L185 HydrophobicContact CE1-CD1 3.83Å; Y181-L185 HydrophobicContact CE2-CD1 4.1Å; Y181-L185 HydrophobicContact CE2-CD2 4.33Å; Y181-L185 HydrophobicContact CE2-CG 4.14Å; Y181-L185 PolarHBondContact O-N 3.06Å; Y181-L185 VanDerWaalsContact O-N 3.08Å; L182-L185 HydrophobicContact CD2-CD1 4.48Å; L182-L185 PolarHBondContact O-N 3.38Å; L185-R187 VanDerWaalsContact C-N 3.33Å; L185-R187 PolarHBondContact O-N 3.42Å; L185-R188 VanDerWaalsContact O-CB 3.31Å; L185-R188 WeakPolarHBondContact O-CB 3.46Å; L185-R188 PolarHBondContact O-N 3.31Å; L185-R188 VanDerWaalsContact O-N 3.07Å; L185-L193 HydrophobicContact CB-CD2 3.75Å; L185-L193 HydrophobicContact CD1-CD2 4.41Å; L185-I248 HydrophobicContact CD1-CG2 3.62Å; L185-V252 HydrophobicContact CD2-CG2 4.09Å
186	E	96.6	Very high	98.2	Very high	103 Å²	103	65.4 Å²	65.4	48%	0.481	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-42.4	177.3	-174.6	167.7	-135.2	0	0	111.7	L182 R188 N189 R195	L182-E186 WeakPolarHBondContact O-CB 3.48Å; L182-E186 PolarHBondContact O-N 3.34Å; E186-R188 PolarHBondContact O-N 3.3Å; E186-R188 VanDerWaalsContact O-N 3.14Å; E186-N189 PolarHBondContact O-N 3.31Å; E186-R195 IonicContact OE2-NH1 3.6Å; E186-R195 PolarHBondContact OE2-NH1 3.38Å
187	R	97.9	Very high	98.2	Very high	203 Å²	203	66.6 Å²	66.6	77%	0.766	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.3	174.6	-77.1	-173	-62.6	141	-2.2	114.4	A183 L185 N189	A183-R187 WeakPolarHBondContact O-CG 3.28Å; A183-R187 PolarHBondContact O-N 2.86Å; A183-R187 VanDerWaalsContact O-N 3.1Å; L185-R187 VanDerWaalsContact C-N 3.33Å; L185-R187 PolarHBondContact O-N 3.42Å; R187-N189 PolarHBondContact O-N 2.63Å
188	R	97.9	Very high	98.2	Very high	111 Å²	111	64.5 Å²	64.5	42%	0.419	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.6	174.4	-65.4	170.3	59.6	-167.5	-7.3	112.6	L185 E186 L190 V252	L185-R188 VanDerWaalsContact O-CB 3.31Å; L185-R188 WeakPolarHBondContact O-CB 3.46Å; L185-R188 PolarHBondContact O-N 3.31Å; L185-R188 VanDerWaalsContact O-N 3.07Å; E186-R188 PolarHBondContact O-N 3.3Å; E186-R188 VanDerWaalsContact O-N 3.14Å; R188-L190 VanDerWaalsContact C-N 3.29Å; R188-L190 HydrophobicContact CB-CD1 4.41Å; R188-L190 HydrophobicContact CB-CD2 4.02Å; R188-L190 HydrophobicContact CB-CG 3.89Å; R188-L190 PolarHBondContact O-N 2.8Å; R188-V252 PolarHBondContact NH2-O 3.2Å
189	N	96.7	Very high	98.1	Very high	143 Å²	143	65 Å²	65	77%	0.765	32%	0.32	S	S	*	.			trans	49.4	47.1	177.6	-164.6	35	0	0	0	113.1	E186 R187	E186-N189 PolarHBondContact O-N 3.31Å; R187-N189 PolarHBondContact O-N 2.63Å
190	L	97.4	Very high	98.1	Very high	23 Å²	23	66.5 Å²	66.5	12%	0.12	33%	0.328	C	S	.	.			trans	-74.1	127.7	-178	-56.1	175	0	0	0	109.4	R188 Y192 L193 V252	R188-L190 VanDerWaalsContact C-N 3.29Å; R188-L190 HydrophobicContact CB-CD1 4.41Å; R188-L190 HydrophobicContact CB-CD2 4.02Å; R188-L190 HydrophobicContact CB-CG 3.89Å; R188-L190 PolarHBondContact O-N 2.8Å; L190-Y192 HydrophobicContact CB-CD2 4.2Å; L190-Y192 HydrophobicContact CB-CE1 4.44Å; L190-Y192 HydrophobicContact CB-CE2 3.82Å; L190-Y192 HydrophobicContact CD1-CE2 3.81Å; L190-Y192 HydrophobicContact CG-CE2 4.29Å; L190-Y192 PolarHBondContact O-N 2.87Å; L190-L193 HydrophobicContact CB-CB 4.12Å; L190-L193 HydrophobicContact CD1-CD2 4.49Å; L190-L193 PolarHBondContact O-N 3.41Å; L190-L193 VanDerWaalsContact O-N 3.16Å; L190-V252 HydrophobicContact CD1-CB 3.92Å
191	P	96.9	Very high	98.1	Very high	111 Å²	111	60.4 Å²	60.4	72%	0.721	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.2	-173.9	27.8	-36	0	0	0	114
192	Y	97.7	Very high	98.1	Very high	22 Å²	22	61.6 Å²	61.6	9%	0.086	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	10.8	-176.8	52	-108.1	0	0	0	113.5	L190 I212 T213 N214 V252 R262	L190-Y192 HydrophobicContact CB-CD2 4.2Å; L190-Y192 HydrophobicContact CB-CE1 4.44Å; L190-Y192 HydrophobicContact CB-CE2 3.82Å; L190-Y192 HydrophobicContact CD1-CE2 3.81Å; L190-Y192 HydrophobicContact CG-CE2 4.29Å; L190-Y192 PolarHBondContact O-N 2.87Å; Y192-I212 CarbonylContact O-C 3.57Å; Y192-I212 VanDerWaalsContact O-CA 3.26Å; Y192-I212 WeakPolarHBondContact O-CA 3.31Å; Y192-T213 CarbonylContact C-O 3.55Å; Y192-T213 WeakPolarHBondContact CA-O 3.35Å; Y192-T213 VanDerWaalsContact CB-O 3.24Å; Y192-T213 WeakPolarHBondContact CB-O 3.3Å; Y192-T213 PolarHBondContact O-N 3.15Å; Y192-N214 WeakPolarHBondContact CB-OD1 3.37Å; Y192-V252 HydrophobicContact CE2-CB 4.33Å; Y192-V252 PolarHBondContact OH-O 2.97Å; Y192-R262 VanDerWaalsContact CD2-CD 3.41Å
193	L	98.6	Very high	98	Very high	27 Å²	27	65.2 Å²	65.2	14%	0.141	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.8	174.7	172	66.9	0	0	0	108.9	L185 L190 L210 T211 I212 V252	L185-L193 HydrophobicContact CB-CD2 3.75Å; L185-L193 HydrophobicContact CD1-CD2 4.41Å; L190-L193 HydrophobicContact CB-CB 4.12Å; L190-L193 HydrophobicContact CD1-CD2 4.49Å; L190-L193 PolarHBondContact O-N 3.41Å; L190-L193 VanDerWaalsContact O-N 3.16Å; L193-L210 HydrophobicContact CD1-CB 4.28Å; L193-L210 HydrophobicContact CD1-CD2 4.4Å; L193-T211 WeakPolarHBondContact CA-O 3.41Å; L193-I212 HydrophobicContact CD1-CD1 4.22Å; L193-I212 HydrophobicContact CD1-CG1 3.6Å; L193-V252 HydrophobicContact CD1-CG1 4.44Å; L193-V252 HydrophobicContact CD2-CG1 4.37Å
194	K	98.3	Very high	98	Very high	120 Å²	120	69.8 Å²	69.8	52%	0.522	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126	169.5	-166.7	-172.9	-177.5	-164.1	0	109.2	E196 L210 T211	K194-E196 HydrophobicContact CD-CG 3.87Å; K194-E196 VanDerWaalsContact CE-OE1 3.23Å; K194-E196 WeakPolarHBondContact CE-OE1 3.32Å; K194-E196 HydrophobicContact CG-CG 3.9Å; K194-E196 IonicContact NZ-OE1 3.81Å; K194-E196 PolarHBondContact NZ-OE1 3.24Å; K194-L210 CarbonylContact O-C 3.53Å; K194-L210 WeakPolarHBondContact O-CA 3.32Å; K194-T211 PolarHBondContact N-O 3.39Å; K194-T211 PolarHBondContact O-N 3.35Å
195	R	98.4	Very high	98	Very high	36 Å²	36	69.3 Å²	69.3	14%	0.136	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.1	171	-179.2	-173.8	-179.9	-176	5.2	108.8	E186 D208 L210	E186-R195 IonicContact OE2-NH1 3.6Å; E186-R195 PolarHBondContact OE2-NH1 3.38Å; R195-D208 IonicContact CZ-OD1 3.48Å; R195-D208 IonicContact CZ-OD2 2.69Å; R195-D208 IonicContact NE-OD1 3.94Å; R195-D208 PolarHBondContact NE-OD1 3.36Å; R195-D208 IonicContact NE-OD2 3.52Å; R195-D208 VanDerWaalsContact NH2-CG 3.27Å; R195-D208 IonicContact NH2-OD1 3.1Å; R195-D208 PolarHBondContact NH2-OD1 3.46Å; R195-D208 VanDerWaalsContact NH2-OD1 3.09Å; R195-D208 IonicContact NH2-OD2 3.43Å; R195-D208 PolarHBondContact NH2-OD2 3.28Å; R195-L210 HydrophobicContact CB-CD2 3.9Å; R195-L210 HydrophobicContact CG-CD2 3.85Å
196	E	98.3	Very high	98	Very high	54 Å²	54	73.4 Å²	73.4	25%	0.252	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.4	-175.6	-61	178.1	101.2	0	0	110.4	K194 L198 D208 L209 T211 K268	K194-E196 HydrophobicContact CD-CG 3.87Å; K194-E196 VanDerWaalsContact CE-OE1 3.23Å; K194-E196 WeakPolarHBondContact CE-OE1 3.32Å; K194-E196 HydrophobicContact CG-CG 3.9Å; K194-E196 IonicContact NZ-OE1 3.81Å; K194-E196 PolarHBondContact NZ-OE1 3.24Å; E196-L198 PolarHBondContact O-N 2.9Å; E196-D208 WeakPolarHBondContact O-CA 3.06Å; E196-L209 HydrophobicContact CB-CB 4.46Å; E196-L209 PolarHBondContact N-O 3.07Å; E196-L209 PolarHBondContact O-N 2.87Å; E196-T211 PolarHBondContact OE2-OG1 3.43Å; E196-K268 IonicContact OE2-NZ 2.68Å
197	L	98.6	Very high	98.2	Very high	82 Å²	82	68.5 Å²	68.5	43%	0.429	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	103.9	166.7	-178.1	60.6	0	0	0	108.2	G199 L200 R206	L197-G199 WeakPolarHBondContact CD1-O 3.24Å; L197-L200 HydrophobicContact CD1-CD2 4.03Å; L197-L200 HydrophobicContact CD2-CD2 4.27Å; L197-R206 HydrophobicContact CD1-CB 3.71Å; L197-R206 HydrophobicContact CD1-CG 3.81Å
198	L	98.6	Very high	98.2	Very high	39 Å²	39	59.1 Å²	59.1	20%	0.204	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-31.4	177.9	-179.7	56.1	0	0	0	112.2	E196 L207 L209 V270 A309 V310 L313	E196-L198 PolarHBondContact O-N 2.9Å; L198-L207 HydrophobicContact CB-CD2 4.23Å; L198-L207 HydrophobicContact CB-CG 4.39Å; L198-L207 WeakPolarHBondContact CB-O 3.38Å; L198-L207 HydrophobicContact CD2-CD2 4.01Å; L198-L207 HydrophobicContact CG-CD2 4.13Å; L198-L207 PolarHBondContact N-O 3.11Å; L198-L209 HydrophobicContact CB-CB 3.95Å; L198-L209 HydrophobicContact CD2-CB 4.35Å; L198-V270 HydrophobicContact CD2-CG2 4.16Å; L198-A309 HydrophobicContact CG-CB 4.14Å; L198-V310 HydrophobicContact CD2-CG2 3.62Å; L198-L313 HydrophobicContact CD1-CB 4.25Å; L198-L313 HydrophobicContact CD1-CD2 3.84Å; L198-L313 HydrophobicContact CD2-CD2 4.06Å
199	G	98.3	Very high	98.2	Very high	19 Å²	19	54.1 Å²	54.1	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.6	-174.3	179.6	0	0	0	0	0	111.6	L197 L207	L197-G199 WeakPolarHBondContact CD1-O 3.24Å; G199-L207 VanDerWaalsContact O-CB 3.31Å; G199-L207 WeakPolarHBondContact O-CB 3.34Å; G199-L207 PolarHBondContact O-N 2.87Å
200	L	98.7	Very high	98.3	Very high	65 Å²	65	47.4 Å²	47.4	34%	0.34	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.6	177.7	-64.1	173.6	0	0	0	109.8	L197 Q204 R205 P305	L197-L200 HydrophobicContact CD1-CD2 4.03Å; L197-L200 HydrophobicContact CD2-CD2 4.27Å; L200-Q204 VanDerWaalsContact CD1-OE1 3.23Å; L200-R205 CarbonylContact C-O 3.57Å; L200-R205 WeakPolarHBondContact CA-O 2.96Å; L200-P305 VanDerWaalsContact O-CB 3.3Å; L200-P305 WeakPolarHBondContact O-CB 3.4Å; L200-P305 WeakPolarHBondContact O-CG 3.03Å
201	S	98.6	Very high	98.4	Very high	3 Å²	3	47 Å²	47	2%	0.021	24%	0.236	C	C	.	.			trans	-74.6	178	168.7	71.8	0	0	0	0	111.5	Q203 Q204 R205 D276	S201-Q203 VanDerWaalsContact C-N 3.27Å; S201-Q203 PolarHBondContact O-N 2.56Å; S201-Q204 PolarHBondContact O-N 3.27Å; S201-Q204 PolarHBondContact O-NE2 3.1Å; S201-R205 PolarHBondContact N-O 3.02Å; S201-R205 WeakPolarHBondContact OG-CA 3.45Å; S201-R205 WeakPolarHBondContact OG-CB 3.47Å; S201-R205 PolarHBondContact OG-N 3.27Å; S201-R205 PolarHBondContact OG-O 3.08Å; S201-D276 VanDerWaalsContact CB-CG 3.46Å; S201-D276 VanDerWaalsContact CB-OD1 3.29Å; S201-D276 WeakPolarHBondContact CB-OD1 3.33Å; S201-D276 WeakPolarHBondContact CB-OD2 3.28Å; S201-D276 PolarHBondContact OG-OD1 3.11Å; S201-D276 PolarHBondContact OG-OD2 3.4Å; S201-D276 VanDerWaalsContact OG-OD2 3.08Å
202	V	98.3	Very high	98.5	Very high	49 Å²	49	41.8 Å²	41.8	30%	0.297	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-41.8	178.2	177.9	0	0	0	0	110.3	Q204 D276 L287 M288 P305	V202-Q204 PolarHBondContact O-N 2.91Å; V202-D276 PolarHBondContact N-OD2 3.05Å; V202-L287 HydrophobicContact CB-CD2 4.03Å; V202-L287 HydrophobicContact CG1-CD2 3.63Å; V202-M288 HydrophobicContact CG1-CE 4.44Å; V202-P305 HydrophobicContact CG2-CG 3.91Å
203	Q	97.8	Very high	98.5	Very high	78 Å²	78	41.1 Å²	41.1	36%	0.364	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	24.3	174.8	-54.1	-166.9	-68.9	0	0	113.7	S201 R205 D276 L287	S201-Q203 VanDerWaalsContact C-N 3.27Å; S201-Q203 PolarHBondContact O-N 2.56Å; Q203-R205 VanDerWaalsContact CB-NH1 3.34Å; Q203-R205 PolarHBondContact O-N 2.67Å; Q203-D276 HydrophobicContact CG-CB 4.49Å; Q203-D276 PolarHBondContact N-OD2 3.25Å; Q203-L287 HydrophobicContact CG-CD2 3.34Å; Q203-L287 HydrophobicContact CG-CG 4.43Å
204	Q	98.2	Very high	98.5	Very high	130 Å²	130	41.4 Å²	41.4	61%	0.607	20%	0.202	S	C	*	.			trans	61.1	26.8	174.7	-52.3	-61	-60.8	0	0	114.4	L200 S201 V202	L200-Q204 VanDerWaalsContact CD1-OE1 3.23Å; S201-Q204 PolarHBondContact O-N 3.27Å; S201-Q204 PolarHBondContact O-NE2 3.1Å; V202-Q204 PolarHBondContact O-N 2.91Å
205	R	98.6	Very high	98.1	Very high	32 Å²	32	38.5 Å²	38.5	12%	0.121	20%	0.197	C	C	.	.			trans	-79.8	146.4	169.3	-62.6	-171.8	180	77.1	8.1	109.9	Y175 L200 S201 Q203 L207 P275 D276 Y279	Y175-R205 HydrophobicContact CE1-CB 4.23Å; Y175-R205 HydrophobicContact CE1-CG 4.21Å; Y175-R205 HydrophobicContact CE2-CB 4.15Å; L200-R205 CarbonylContact C-O 3.57Å; L200-R205 WeakPolarHBondContact CA-O 2.96Å; S201-R205 PolarHBondContact N-O 3.02Å; S201-R205 WeakPolarHBondContact OG-CA 3.45Å; S201-R205 WeakPolarHBondContact OG-CB 3.47Å; S201-R205 PolarHBondContact OG-N 3.27Å; S201-R205 PolarHBondContact OG-O 3.08Å; Q203-R205 VanDerWaalsContact CB-NH1 3.34Å; Q203-R205 PolarHBondContact O-N 2.67Å; R205-L207 PolarHBondContact O-N 3.16Å; R205-P275 HydrophobicContact CB-CB 3.95Å; R205-P275 HydrophobicContact CB-CG 4.08Å; R205-D276 IonicContact CZ-OD1 3.87Å; R205-D276 IonicContact NH1-OD1 3.44Å; R205-D276 PolarHBondContact NH1-OD1 3.48Å; R205-Y279 VanDerWaalsContact CZ-CB 3.46Å; R205-Y279 VanDerWaalsContact NH2-CE1 3.31Å
206	R	98.6	Very high	97.6	Very high	92 Å²	92	43.9 Å²	43.9	35%	0.347	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.9	-179.8	-62.9	179.5	61.5	91.6	-4.2	110.3	Y175 L197 D208	Y175-R206 WeakPolarHBondContact OH-CB 3.24Å; Y175-R206 PolarHBondContact OH-N 2.81Å; L197-R206 HydrophobicContact CD1-CB 3.71Å; L197-R206 HydrophobicContact CD1-CG 3.81Å; R206-D208 IonicContact CZ-OD1 3.82Å; R206-D208 IonicContact NE-OD1 3.19Å; R206-D208 PolarHBondContact NE-OD1 3.02Å; R206-D208 IonicContact NH2-OD1 3.76Å
207	L	98.8	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	100.7	159.5	-173.6	70.4	0	0	0	107.9	L198 G199 R205 V270 M272 L273 T306 A309 V310	L198-L207 HydrophobicContact CB-CD2 4.23Å; L198-L207 HydrophobicContact CB-CG 4.39Å; L198-L207 WeakPolarHBondContact CB-O 3.38Å; L198-L207 HydrophobicContact CD2-CD2 4.01Å; L198-L207 HydrophobicContact CG-CD2 4.13Å; L198-L207 PolarHBondContact N-O 3.11Å; G199-L207 VanDerWaalsContact O-CB 3.31Å; G199-L207 WeakPolarHBondContact O-CB 3.34Å; G199-L207 PolarHBondContact O-N 2.87Å; R205-L207 PolarHBondContact O-N 3.16Å; L207-V270 HydrophobicContact CD1-CG1 3.67Å; L207-V270 HydrophobicContact CG-CG1 4.24Å; L207-M272 WeakPolarHBondContact CD1-O 3.32Å; L207-L273 HydrophobicContact CD1-CD1 4.32Å; L207-T306 HydrophobicContact CB-CG2 4.29Å; L207-T306 HydrophobicContact CD1-CG2 4.04Å; L207-T306 HydrophobicContact CD2-CG2 4.18Å; L207-T306 WeakPolarHBondContact CD2-O 3.25Å; L207-T306 HydrophobicContact CG-CG2 4.42Å; L207-A309 HydrophobicContact CD2-CB 4.28Å; L207-V310 HydrophobicContact CD2-CG2 4Å
208	D	98.8	Very high	96.4	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.027	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	136.5	179	-69	-72.1	0	0	0	111.4	Q179 L182 R195 E196 R206 P271	Q179-D208 PolarHBondContact NE2-OD2 2.99Å; Q179-D208 PolarHBondContact OE1-OD2 3.17Å; L182-D208 HydrophobicContact CD1-CB 3.72Å; R195-D208 IonicContact CZ-OD1 3.48Å; R195-D208 IonicContact CZ-OD2 2.69Å; R195-D208 IonicContact NE-OD1 3.94Å; R195-D208 PolarHBondContact NE-OD1 3.36Å; R195-D208 IonicContact NE-OD2 3.52Å; R195-D208 VanDerWaalsContact NH2-CG 3.27Å; R195-D208 IonicContact NH2-OD1 3.1Å; R195-D208 PolarHBondContact NH2-OD1 3.46Å; R195-D208 VanDerWaalsContact NH2-OD1 3.09Å; R195-D208 IonicContact NH2-OD2 3.43Å; R195-D208 PolarHBondContact NH2-OD2 3.28Å; E196-D208 WeakPolarHBondContact O-CA 3.06Å; R206-D208 IonicContact CZ-OD1 3.82Å; R206-D208 IonicContact NE-OD1 3.19Å; R206-D208 PolarHBondContact NE-OD1 3.02Å; R206-D208 IonicContact NH2-OD1 3.76Å; D208-P271 WeakPolarHBondContact O-CD 3.5Å
209	L	98.9	Very high	95.7	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.2	167.4	172.9	70.9	0	0	0	108.7	E196 L198 F228 K268 V270 L313	E196-L209 HydrophobicContact CB-CB 4.46Å; E196-L209 PolarHBondContact N-O 3.07Å; E196-L209 PolarHBondContact O-N 2.87Å; L198-L209 HydrophobicContact CB-CB 3.95Å; L198-L209 HydrophobicContact CD2-CB 4.35Å; L209-F228 HydrophobicContact CD1-CZ 4.44Å; L209-K268 HydrophobicContact CD1-CB 4.14Å; L209-K268 HydrophobicContact CD1-CD 4.04Å; L209-K268 HydrophobicContact CD2-CD 4.15Å; L209-K268 HydrophobicContact CG-CD 4.32Å; L209-V270 HydrophobicContact CD1-CG2 3.95Å; L209-L313 HydrophobicContact CD1-CD2 4.13Å; L209-L313 HydrophobicContact CD2-CD2 3.52Å; L209-L313 HydrophobicContact CG-CD2 4.45Å
210	L	98.9	Very high	94.9	Very high	2 Å²	2	50 Å²	50	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.4	169.8	-52.1	-178.9	0	0	0	109.4	L182 L193 K194 R195 I248 K268 I269 P271	L182-L210 HydrophobicContact CD2-CD1 3.72Å; L182-L210 HydrophobicContact CD2-CD2 4.07Å; L182-L210 HydrophobicContact CD2-CG 4.36Å; L193-L210 HydrophobicContact CD1-CB 4.28Å; L193-L210 HydrophobicContact CD1-CD2 4.4Å; K194-L210 CarbonylContact O-C 3.53Å; K194-L210 WeakPolarHBondContact O-CA 3.32Å; R195-L210 HydrophobicContact CB-CD2 3.9Å; R195-L210 HydrophobicContact CG-CD2 3.85Å; L210-I248 HydrophobicContact CD1-CD1 3.65Å; L210-I248 HydrophobicContact CD1-CG1 3.99Å; L210-I248 HydrophobicContact CD1-CG2 4.05Å; L210-K268 CarbonylContact O-C 3.57Å; L210-K268 WeakPolarHBondContact O-CA 3.34Å; L210-I269 HydrophobicContact CB-CB 4.32Å; L210-I269 PolarHBondContact N-O 2.87Å; L210-I269 PolarHBondContact O-N 3.46Å; L210-P271 HydrophobicContact CD1-CG 4.12Å; L210-P271 HydrophobicContact CG-CG 4.35Å
211	T	98.8	Very high	94.2	Very high	16 Å²	16	56.7 Å²	56.7	10%	0.098	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.3	166.5	-52	0	0	0	0	108.2	L193 K194 E196 T213 I266 F267 K268	L193-T211 WeakPolarHBondContact CA-O 3.41Å; K194-T211 PolarHBondContact N-O 3.39Å; K194-T211 PolarHBondContact O-N 3.35Å; E196-T211 PolarHBondContact OE2-OG1 3.43Å; T211-T213 HydrophobicContact CG2-CG2 4.28Å; T211-I266 HydrophobicContact CG2-CG2 4.02Å; T211-F267 CarbonylContact C-O 3.46Å; T211-F267 VanDerWaalsContact CA-O 3.31Å; T211-F267 WeakPolarHBondContact CA-O 3.21Å; T211-K268 HydrophobicContact CG2-CD 4.17Å; T211-K268 WeakPolarHBondContact OG1-CD 3.47Å; T211-K268 WeakPolarHBondContact OG1-CE 3.45Å; T211-K268 PolarHBondContact OG1-NZ 2.86Å
212	I	98.8	Very high	93.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	108.9	179	-55.9	166.5	0	0	0	109.5	Y192 L193 I248 L251 V252 R262 F267 I269	Y192-I212 CarbonylContact O-C 3.57Å; Y192-I212 VanDerWaalsContact O-CA 3.26Å; Y192-I212 WeakPolarHBondContact O-CA 3.31Å; L193-I212 HydrophobicContact CD1-CD1 4.22Å; L193-I212 HydrophobicContact CD1-CG1 3.6Å; I212-I248 HydrophobicContact CD1-CG2 4.24Å; I212-L251 HydrophobicContact CD1-CB 4.03Å; I212-L251 HydrophobicContact CD1-CD1 4.34Å; I212-L251 HydrophobicContact CG2-CB 3.99Å; I212-V252 HydrophobicContact CD1-CG1 3.83Å; I212-V252 HydrophobicContact CG1-CG1 4.29Å; I212-V252 HydrophobicContact CG2-CG1 4.44Å; I212-R262 HydrophobicContact CG2-CG 4.03Å; I212-F267 HydrophobicContact CB-CB 4.28Å; I212-F267 PolarHBondContact N-O 3.1Å; I212-F267 PolarHBondContact O-N 2.73Å; I212-F267 VanDerWaalsContact O-N 3.08Å; I212-I269 HydrophobicContact CD1-CD1 4.1Å
213	T	98.4	Very high	93.1	Very high	9 Å²	9	67 Å²	67	6%	0.055	32%	0.315	C	S	.	.	S	Bend	trans	-173.9	156.1	-179.7	-163.3	0	0	0	0	110	Y192 T211 N217 V218 R262 V265 I266	Y192-T213 CarbonylContact C-O 3.55Å; Y192-T213 WeakPolarHBondContact CA-O 3.35Å; Y192-T213 VanDerWaalsContact CB-O 3.24Å; Y192-T213 WeakPolarHBondContact CB-O 3.3Å; Y192-T213 PolarHBondContact O-N 3.15Å; T211-T213 HydrophobicContact CG2-CG2 4.28Å; T213-N217 PolarHBondContact OG1-ND2 3.17Å; T213-V218 HydrophobicContact CG2-CG2 3.44Å; T213-V218 VanDerWaalsContact CG2-CG2 3.44Å; T213-R262 PolarHBondContact OG1-O 3.33Å; T213-R262 VanDerWaalsContact OG1-O 3.1Å; T213-V265 WeakPolarHBondContact CB-O 3.35Å; T213-V265 PolarHBondContact OG1-O 3.02Å; T213-I266 HydrophobicContact CG2-CG1 4.14Å; T213-I266 HydrophobicContact CG2-CG2 4.28Å
214	N	96.9	Very high	92.9	Very high	33 Å²	33	65.2 Å²	65.2	18%	0.176	31%	0.306	C	S	.	.			trans	-77.2	144.6	175.4	-75.7	-19.2	0	0	0	111	Y192 E216 N217 V218 R262 D263	Y192-N214 WeakPolarHBondContact CB-OD1 3.37Å; N214-E216 PolarHBondContact O-N 3.36Å; N214-N217 WeakPolarHBondContact O-CB 3.2Å; N214-N217 PolarHBondContact O-N 3.38Å; N214-N217 VanDerWaalsContact O-N 3.13Å; N214-V218 PolarHBondContact O-N 3.14Å; N214-R262 PolarHBondContact N-O 3.17Å; N214-D263 PolarHBondContact ND2-OD1 2.72Å
215	S	90.7	Very high	92.7	Very high	59 Å²	59	60.7 Å²	60.7	41%	0.413	29%	0.285	S	S	.	.	H	α-helix	trans	-62.1	-29.4	-176.7	66.3	0	0	0	0	113.8	V218 R219	S215-V218 PolarHBondContact O-N 2.99Å; S215-R219 WeakPolarHBondContact O-CG 3.32Å; S215-R219 PolarHBondContact O-N 3.45Å
216	E	88.1	Confident	92.7	Very high	148 Å²	148	59.3 Å²	59.3	69%	0.692	28%	0.28	S	S	*	.	H	α-helix	trans	-64.7	-39.6	175.8	-62.5	-169.9	149.3	0	0	112	N214 V218 R219 S220	N214-E216 PolarHBondContact O-N 3.36Å; E216-V218 VanDerWaalsContact C-N 3.3Å; E216-V218 PolarHBondContact O-N 3.29Å; E216-R219 PolarHBondContact O-N 3.42Å; E216-S220 PolarHBondContact O-N 3.03Å
217	N	88.6	Confident	92.7	Very high	16 Å²	16	55 Å²	55	9%	0.086	26%	0.263	C	S	.	.	H	α-helix	trans	-60	-43.5	175.1	-173.9	34.7	0	0	0	110.9	T213 N214 R219 S220 D263 V265	T213-N217 PolarHBondContact OG1-ND2 3.17Å; N214-N217 WeakPolarHBondContact O-CB 3.2Å; N214-N217 PolarHBondContact O-N 3.38Å; N214-N217 VanDerWaalsContact O-N 3.13Å; N217-R219 VanDerWaalsContact C-N 3.32Å; N217-R219 PolarHBondContact O-N 2.91Å; N217-S220 PolarHBondContact O-N 3.48Å; N217-S220 PolarHBondContact O-OG 3.37Å; N217-D263 WeakPolarHBondContact CB-O 3.47Å; N217-D263 VanDerWaalsContact CG-O 3.31Å; N217-D263 PolarHBondContact OD1-O 3.45Å; N217-V265 PolarHBondContact ND2-N 3.26Å
218	V	83.9	Confident	92.7	Very high	67 Å²	67	55 Å²	55	41%	0.406	26%	0.263	S	S	.	.	H	α-helix	trans	-65.4	-35.4	178.3	-177.2	0	0	0	0	112.2	T213 N214 S215 E216 K224	T213-V218 HydrophobicContact CG2-CG2 3.44Å; T213-V218 VanDerWaalsContact CG2-CG2 3.44Å; N214-V218 PolarHBondContact O-N 3.14Å; S215-V218 PolarHBondContact O-N 2.99Å; E216-V218 VanDerWaalsContact C-N 3.3Å; E216-V218 PolarHBondContact O-N 3.29Å; V218-K224 WeakPolarHBondContact O-CE 3.34Å; V218-K224 PolarHBondContact O-NZ 2.95Å
219	R	82.2	Confident	92.7	Very high	204 Å²	204	54.8 Å²	54.8	77%	0.77	26%	0.262	S	S	*	.	H	α-helix	trans	-82.4	-14.9	-179.8	-71	174.7	-178.5	173.7	1.1	113.7	S215 E216 N217	S215-R219 WeakPolarHBondContact O-CG 3.32Å; S215-R219 PolarHBondContact O-N 3.45Å; E216-R219 PolarHBondContact O-N 3.42Å; N217-R219 VanDerWaalsContact C-N 3.32Å; N217-R219 PolarHBondContact O-N 2.91Å
220	S	82	Confident	92.7	Very high	36 Å²	36	54.5 Å²	54.5	25%	0.252	26%	0.261	S	S	.	.	S	Bend	trans	-64.9	146.2	179.8	78.5	0	0	0	0	111.2	E216 N217 K222	E216-S220 PolarHBondContact O-N 3.03Å; N217-S220 PolarHBondContact O-N 3.48Å; N217-S220 PolarHBondContact O-OG 3.37Å; S220-K222 PolarHBondContact O-N 3.35Å
221	E	83.9	Confident	92.7	Very high	206 Å²	206	54.4 Å²	54.4	96%	0.963	26%	0.26	S	S	*	.	S	Bend	trans	-78.1	-2.2	172.1	-62.3	-175	168.3	0	0	112.3
222	K	86.1	Confident	92.7	Very high	149 Å²	149	53.9 Å²	53.9	65%	0.648	26%	0.257	S	S	*	.	S	Bend	trans	-72.1	151.6	176.9	-65	-177	178.3	-174.9	0	109.9	S220 K224	S220-K222 PolarHBondContact O-N 3.35Å; K222-K224 PolarHBondContact O-N 3.43Å
223	E	88.1	Confident	92.7	Very high	119 Å²	119	53.9 Å²	53.9	56%	0.556	26%	0.257	S	S	*	.			trans	-55.4	130	169	-175	-173.1	-120.4	0	0	110.3
224	K	92.7	Very high	92.7	Very high	40 Å²	40	53.9 Å²	53.9	17%	0.174	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	115.5	-173.8	-65.8	157.5	-170.4	159.8	0	110.2	V218 K222 I266 S322 V323 S324	V218-K224 WeakPolarHBondContact O-CE 3.34Å; V218-K224 PolarHBondContact O-NZ 2.95Å; K222-K224 PolarHBondContact O-N 3.43Å; K224-I266 HydrophobicContact CB-CD1 3.86Å; K224-I266 HydrophobicContact CD-CD1 4.13Å; K224-I266 HydrophobicContact CG-CD1 4.15Å; K224-S322 WeakPolarHBondContact CB-O 3.22Å; K224-S322 PolarHBondContact N-O 3.39Å; K224-V323 HydrophobicContact CB-CG2 4.44Å; K224-V323 HydrophobicContact CD-CG2 4.48Å; K224-V323 WeakPolarHBondContact O-CA 3.32Å; K224-S324 PolarHBondContact O-N 3.41Å
225	K	95.3	Very high	92.8	Very high	36 Å²	36	52.3 Å²	52.3	16%	0.157	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	129.1	175.3	-60.1	-177.5	174.3	-158	0	110.2	I266 E326 Y442 L447	K225-I266 PolarHBondContact O-N 3.16Å; K225-E326 WeakPolarHBondContact CD-OE1 3.46Å; K225-E326 IonicContact NZ-OE1 3.96Å; K225-Y442 HydrophobicContact CD-CD1 4.16Å; K225-Y442 HydrophobicContact CD-CE1 3.68Å; K225-L447 HydrophobicContact CD-CD1 4.08Å; K225-L447 VanDerWaalsContact NZ-CD1 3.34Å
226	L	97.5	Very high	93.1	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.8	-173.5	175.3	69.6	0	0	0	111.1	I266 K268 M317 V323 S324 L325 E326 F327	L226-I266 WeakPolarHBondContact CA-O 3.42Å; L226-I266 HydrophobicContact CD1-CB 3.95Å; L226-I266 HydrophobicContact CD1-CG2 3.81Å; L226-I266 WeakPolarHBondContact CD1-O 3.32Å; L226-K268 HydrophobicContact CD1-CB 4.18Å; L226-K268 HydrophobicContact CD1-CG 3.53Å; L226-M317 HydrophobicContact CD2-CB 3.88Å; L226-M317 HydrophobicContact CD2-CG 4.17Å; L226-M317 HydrophobicContact CD2-SD 3.61Å; L226-V323 HydrophobicContact CB-CG1 3.84Å; L226-V323 HydrophobicContact CD2-CG1 3.64Å; L226-V323 HydrophobicContact CG-CG1 4.37Å; L226-S324 PolarHBondContact N-O 3.48Å; L226-L325 HydrophobicContact CB-CD1 4.3Å; L226-L325 HydrophobicContact CD2-CB 4.23Å; L226-L325 HydrophobicContact CD2-CD1 3.57Å; L226-L325 HydrophobicContact CD2-CG 4.42Å; L226-L325 HydrophobicContact CG-CD1 3.68Å; L226-E326 PolarHBondContact O-N 2.99Å; L226-F327 PolarHBondContact O-N 3.2Å
227	V	98.7	Very high	93.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.3	170.2	178	0	0	0	0	108.3	L229 V265 I266 F267 K268 F327 F438	V227-L229 HydrophobicContact CG1-CD1 3.5Å; V227-L229 HydrophobicContact CG1-CG 4.34Å; V227-V265 HydrophobicContact CB-CG1 4.4Å; V227-V265 HydrophobicContact CG2-CG1 3.73Å; V227-I266 PolarHBondContact N-O 3.31Å; V227-F267 HydrophobicContact CB-CD1 3.76Å; V227-F267 HydrophobicContact CB-CE1 3.88Å; V227-F267 HydrophobicContact CG1-CD1 3.96Å; V227-F267 HydrophobicContact CG1-CE1 4.04Å; V227-F267 HydrophobicContact CG2-CD1 4.39Å; V227-F267 HydrophobicContact CG2-CE1 4.02Å; V227-F267 WeakPolarHBondContact O-CA 3.41Å; V227-K268 PolarHBondContact O-N 2.88Å; V227-F327 HydrophobicContact CB-CB 4.38Å; V227-F327 HydrophobicContact CG1-CB 3.94Å; V227-F327 HydrophobicContact CG2-CB 4.23Å; V227-F327 HydrophobicContact CG2-CD2 4.03Å; V227-F438 HydrophobicContact CB-CE1 4.45Å; V227-F438 HydrophobicContact CB-CZ 4.43Å; V227-F438 HydrophobicContact CG1-CE1 3.77Å; V227-F438 HydrophobicContact CG1-CE2 4Å; V227-F438 HydrophobicContact CG1-CZ 3.37Å; V227-F438 HydrophobicContact CG2-CD1 4.04Å; V227-F438 HydrophobicContact CG2-CE1 3.76Å; V227-F438 HydrophobicContact CG2-CZ 4.19Å
228	F	98.8	Very high	94.1	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126	176.9	-151.9	-71.1	0	0	0	110.6	L209 T230 K268 V270 V310 L313 I314 M317 L325 F327 Y328 I329	L209-F228 HydrophobicContact CD1-CZ 4.44Å; F228-T230 HydrophobicContact CD1-CG2 4.17Å; F228-T230 HydrophobicContact CE1-CG2 3.87Å; F228-K268 CarbonylContact C-O 3.56Å; F228-K268 WeakPolarHBondContact CA-O 3.39Å; F228-K268 HydrophobicContact CD2-CB 3.54Å; F228-K268 HydrophobicContact CD2-CG 4.3Å; F228-K268 HydrophobicContact CE2-CB 3.7Å; F228-K268 HydrophobicContact CE2-CG 4.38Å; F228-K268 HydrophobicContact CG-CB 4.13Å; F228-K268 HydrophobicContact CZ-CB 4.39Å; F228-V270 HydrophobicContact CE1-CG2 4.09Å; F228-V270 HydrophobicContact CZ-CG2 4.21Å; F228-V310 HydrophobicContact CE1-CG1 3.88Å; F228-V310 HydrophobicContact CZ-CG1 4.08Å; F228-L313 HydrophobicContact CE2-CD2 3.83Å; F228-L313 HydrophobicContact CE2-CG 4.22Å; F228-L313 HydrophobicContact CZ-CD2 4.02Å; F228-I314 HydrophobicContact CD1-CD1 3.96Å; F228-I314 HydrophobicContact CD1-CG1 4.16Å; F228-I314 HydrophobicContact CD2-CD1 4.48Å; F228-I314 HydrophobicContact CD2-CG1 3.79Å; F228-I314 HydrophobicContact CE1-CD1 3.95Å; F228-I314 HydrophobicContact CE1-CG1 4.09Å; F228-I314 HydrophobicContact CE2-CD1 4.46Å; F228-I314 HydrophobicContact CE2-CG1 3.7Å; F228-I314 HydrophobicContact CG-CD1 4.24Å; F228-I314 HydrophobicContact CG-CG1 4.03Å; F228-I314 HydrophobicContact CZ-CD1 4.21Å; F228-I314 HydrophobicContact CZ-CG1 3.86Å; F228-M317 HydrophobicContact CD2-SD 4.41Å; F228-M317 HydrophobicContact CE2-SD 4.32Å; F228-L325 HydrophobicContact CB-CD1 3.91Å; F228-F327 PolarHBondContact N-O 2.86Å; F228-Y328 HydrophobicContact CB-CD2 4.38Å; F228-Y328 HydrophobicContact CD1-CD2 4.22Å; F228-Y328 HydrophobicContact CD1-CE2 4.4Å; F228-Y328 CarbonylContact O-C 3.59Å; F228-Y328 VanDerWaalsContact O-CA 3.31Å; F228-Y328 WeakPolarHBondContact O-CA 3.42Å; F228-I329 PolarHBondContact O-N 3.02Å
229	L	98.9	Very high	94.8	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.8	175.7	-63.3	97.6	0	0	0	111.3	V227 V247 F267 K268 I269 V270 I329	V227-L229 HydrophobicContact CG1-CD1 3.5Å; V227-L229 HydrophobicContact CG1-CG 4.34Å; L229-V247 HydrophobicContact CD2-CG1 4.21Å; L229-V247 HydrophobicContact CD2-CG2 4.41Å; L229-F267 HydrophobicContact CD1-CD1 4.22Å; L229-K268 PolarHBondContact N-O 3.38Å; L229-I269 HydrophobicContact CB-CG1 4.36Å; L229-I269 HydrophobicContact CB-CG2 4.37Å; L229-I269 HydrophobicContact CD1-CD1 4.45Å; L229-I269 HydrophobicContact CD1-CG1 4.09Å; L229-I269 CarbonylContact O-C 3Å; L229-I269 WeakPolarHBondContact O-CA 3.34Å; L229-V270 PolarHBondContact O-N 3.46Å; L229-I329 WeakPolarHBondContact CA-O 3.29Å; L229-I329 HydrophobicContact CD2-CB 4.39Å; L229-I329 HydrophobicContact CG-CB 4.32Å
230	T	98.9	Very high	95.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.2	167.2	56.6	0	0	0	0	109.4	F228 V270 V310 Y328 I329 D330 V331	F228-T230 HydrophobicContact CD1-CG2 4.17Å; F228-T230 HydrophobicContact CE1-CG2 3.87Å; T230-V270 HydrophobicContact CG2-CB 4.29Å; T230-V310 HydrophobicContact CG2-CG1 4.03Å; T230-Y328 HydrophobicContact CG2-CE2 3.93Å; T230-Y328 PolarHBondContact OG1-OH 3.48Å; T230-Y328 VanDerWaalsContact OG1-OH 3.06Å; T230-I329 PolarHBondContact N-O 3.12Å; T230-D330 PolarHBondContact OG1-OD1 3.46Å; T230-V331 PolarHBondContact O-N 3.03Å
231	A	98.9	Very high	96.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	159.5	170.2	0	0	0	0	0	110.6	V233 C244 V270 M272 L273 V331	A231-V233 PolarHBondContact O-N 2.96Å; A231-C244 HydrophobicContact CB-CB 3.69Å; A231-V270 PolarHBondContact N-O 2.9Å; A231-M272 WeakPolarHBondContact O-CA 3.4Å; A231-L273 PolarHBondContact O-N 3.47Å; A231-V331 HydrophobicContact CB-CB 4.07Å
232	R	98.6	Very high	97.1	Very high	5 Å²	5	17.8 Å²	17.8	2%	0.019	8%	0.08	C	C	.	.			trans	64.5	40	164.5	-121.1	-53.3	-102.3	-111.1	10	115.1	H234 P235 S241 M272 N274 V278 V331	R232-H234 WeakPolarHBondContact CD-O 3.35Å; R232-P235 PolarHBondContact NH1-O 2.92Å; R232-P235 PolarHBondContact NH2-O 3.24Å; R232-S241 WeakPolarHBondContact CG-OG 3.35Å; R232-M272 HydrophobicContact CB-CB 4.42Å; R232-M272 HydrophobicContact CB-CG 4.28Å; R232-N274 PolarHBondContact O-N 3.12Å; R232-V278 VanDerWaalsContact CZ-CG2 3.41Å; R232-V331 PolarHBondContact N-O 3.06Å
233	V	98.7	Very high	97.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-67.1	-36.5	169.3	66.8	0	0	0	0	112.2	A231 L273 N274 L292 N293 H332	A231-V233 PolarHBondContact O-N 2.96Å; V233-L273 HydrophobicContact CB-CB 4.22Å; V233-L273 HydrophobicContact CB-CD2 3.89Å; V233-L273 HydrophobicContact CG2-CD2 3.8Å; V233-N274 VanDerWaalsContact O-CB 3.23Å; V233-N274 WeakPolarHBondContact O-CB 3.29Å; V233-N274 PolarHBondContact O-ND2 3.05Å; V233-L292 HydrophobicContact CG2-CB 3.46Å; V233-L292 VanDerWaalsContact CG2-CB 3.46Å; V233-L292 HydrophobicContact CG2-CD1 4.34Å; V233-N293 HydrophobicContact CG1-CB 4.05Å; V233-N293 HydrophobicContact CG2-CB 4.16Å; V233-H332 WeakPolarHBondContact CG1-CE1 3.29Å; V233-H332 VanDerWaalsContact CG1-NE2 3.25Å; V233-H332 WeakPolarHBondContact CG1-NE2 3.5Å
234	H	98.7	Very high	98.2	Very high	8 Å²	8	5.1 Å²	5.1	4%	0.037	2%	0.024	C	C	.	.	S	Bend	trans	-93.3	121.3	170.4	-59.7	146.1	0	0	0	111	R232 G236 E237 R284 D291 H332	R232-H234 WeakPolarHBondContact CD-O 3.35Å; H234-G236 VanDerWaalsContact C-N 3.3Å; H234-G236 PolarHBondContact O-N 3.13Å; H234-G236 VanDerWaalsContact O-N 3.16Å; H234-E237 HydrophobicContact CB-CB 4.39Å; H234-E237 VanDerWaalsContact CB-CD 3.47Å; H234-E237 HydrophobicContact CB-CG 3.92Å; H234-E237 IonicContact CE1-OE1 3.15Å; H234-E237 IonicContact CG-OE1 2.83Å; H234-E237 IonicContact CG-OE2 3.51Å; H234-E237 IonicContact ND1-OE1 3.97Å; H234-E237 PolarHBondContact ND1-OE1 3.23Å; H234-E237 IonicContact ND1-OE2 2.73Å; H234-E237 PolarHBondContact ND1-OE2 3.49Å; H234-E237 PolarHBondContact O-N 3.3Å; H234-R284 PolarHBondContact CE1-NH1 3.01Å; H234-R284 PolarHBondContact CE1-NH2 2.84Å; H234-R284 VanDerWaalsContact CE1-NH2 3.25Å; H234-R284 PolarHBondContact NE2-NH2 2.84Å; H234-D291 IonicContact CD2-OD1 3.18Å; H234-D291 IonicContact NE2-OD1 3.48Å; H234-D291 PolarHBondContact NE2-OD1 3.21Å; H234-D291 IonicContact NE2-OD2 3.78Å; H234-H332 AromaticContact CE1-CE1 3.27Å; H234-H332 PolarHBondContact CE1-CE1 3.07Å; H234-H332 AromaticContact CE1-ND1 3.58Å; H234-H332 AromaticContact CG-CE1 3.96Å; H234-H332 AromaticContact ND1-CE1 3.29Å; H234-H332 PolarHBondContact ND1-CE1 2.69Å; H234-H332 VanDerWaalsContact ND1-CE1 3.29Å; H234-H332 AromaticContact ND1-ND1 3.26Å; H234-H332 PolarHBondContact ND1-ND1 3.49Å; H234-H332 AromaticContact NE2-CE1 3.99Å
235	P	98.7	Very high	98.5	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.006	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.8	-173.3	-26	37.5	0	0	0	119	R232 N274 G277 N282 Y283 R284 C285	R232-P235 PolarHBondContact NH1-O 2.92Å; R232-P235 PolarHBondContact NH2-O 3.24Å; P235-N274 WeakPolarHBondContact CD-ND2 3.46Å; P235-N274 HydrophobicContact CG-CB 4.14Å; P235-N274 WeakPolarHBondContact CG-ND2 3.04Å; P235-G277 WeakPolarHBondContact CB-O 3.12Å; P235-N282 CarbonylContact C-O 3.49Å; P235-N282 HydrophobicContact CB-CB 4.07Å; P235-N282 VanDerWaalsContact CB-O 3.32Å; P235-N282 WeakPolarHBondContact CB-O 2.99Å; P235-N282 HydrophobicContact CG-CB 4.22Å; P235-Y283 CarbonylContact C-O 3.58Å; P235-R284 VanDerWaalsContact CD-C 3.45Å; P235-R284 WeakPolarHBondContact CD-O 3.15Å; P235-C285 WeakPolarHBondContact CG-O 3.26Å
236	G	98.1	Very high	98.7	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-13.7	174.9	0	0	0	0	0	112.4	H234 S238 N282 Y283 F408	H234-G236 VanDerWaalsContact C-N 3.3Å; H234-G236 PolarHBondContact O-N 3.13Å; H234-G236 VanDerWaalsContact O-N 3.16Å; G236-S238 PolarHBondContact O-N 3.1Å; G236-N282 PolarHBondContact N-O 3.17Å; G236-Y283 WeakPolarHBondContact CA-O 3.39Å; G236-Y283 VanDerWaalsContact N-C 3.32Å; G236-Y283 PolarHBondContact N-O 2.91Å; G236-F408 VanDerWaalsContact O-CE1 3.31Å; G236-F408 WeakPolarHBondContact O-CE1 3.37Å; G236-F408 WeakPolarHBondContact O-CZ 3.44Å
237	E	98.6	Very high	98.8	Very high	5 Å²	5	2.6 Å²	2.6	2%	0.023	1%	0.013	C	C	.	.			trans	-89.4	58.5	-170.3	-64	177	-168.6	0	0	110	H234 P239 A240 H332 S333 F408	H234-E237 HydrophobicContact CB-CB 4.39Å; H234-E237 VanDerWaalsContact CB-CD 3.47Å; H234-E237 HydrophobicContact CB-CG 3.92Å; H234-E237 IonicContact CE1-OE1 3.15Å; H234-E237 IonicContact CG-OE1 2.83Å; H234-E237 IonicContact CG-OE2 3.51Å; H234-E237 IonicContact ND1-OE1 3.97Å; H234-E237 PolarHBondContact ND1-OE1 3.23Å; H234-E237 IonicContact ND1-OE2 2.73Å; H234-E237 PolarHBondContact ND1-OE2 3.49Å; H234-E237 PolarHBondContact O-N 3.3Å; E237-P239 VanDerWaalsContact C-N 3.35Å; E237-A240 WeakPolarHBondContact O-CB 3.27Å; E237-A240 PolarHBondContact O-N 2.89Å; E237-H332 IonicContact OE2-CE1 3.95Å; E237-H332 IonicContact OE2-CG 2.86Å; E237-H332 IonicContact OE2-ND1 2.84Å; E237-H332 PolarHBondContact OE2-ND1 3.12Å; E237-S333 PolarHBondContact OE2-N 3.46Å; E237-S333 VanDerWaalsContact OE2-N 3.09Å; E237-F408 HydrophobicContact CB-CZ 4.25Å; E237-F408 HydrophobicContact CG-CE2 4.17Å; E237-F408 HydrophobicContact CG-CZ 3.82Å
238	S	98.6	Very high	98.8	Very high	1 Å²	1	2.6 Å²	2.6	1%	0.007	1%	0.013	C	C	.	.	H	α-helix	trans	-60.1	-30.1	178.5	61.5	0	0	0	0	115	Y171 G236 A240 S241 F242	Y171-S238 WeakPolarHBondContact O-CB 3.4Å; Y171-S238 PolarHBondContact O-OG 3.49Å; G236-S238 PolarHBondContact O-N 3.1Å; S238-A240 PolarHBondContact O-N 3.29Å; S238-S241 WeakPolarHBondContact O-CB 3.41Å; S238-S241 PolarHBondContact O-N 2.83Å; S238-F242 VanDerWaalsContact O-CD2 3.31Å; S238-F242 WeakPolarHBondContact O-CD2 3.49Å
239	P	98.8	Very high	98.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-55	-33.3	173.4	-27.1	36	0	0	0	113.8	E237 S241 F242 V243 S333 V406 F408 Y427	E237-P239 VanDerWaalsContact C-N 3.35Å; P239-S241 VanDerWaalsContact C-N 3.26Å; P239-S241 PolarHBondContact O-N 3.19Å; P239-F242 PolarHBondContact O-N 2.98Å; P239-F242 VanDerWaalsContact O-N 3.12Å; P239-V243 PolarHBondContact O-N 3.46Å; P239-S333 WeakPolarHBondContact CB-OG 3.46Å; P239-S333 WeakPolarHBondContact CD-OG 3.39Å; P239-V406 HydrophobicContact CB-CG1 3.76Å; P239-F408 HydrophobicContact CG-CD1 3.74Å; P239-F408 HydrophobicContact CG-CE1 3.96Å; P239-F408 HydrophobicContact CG-CG 4.49Å; P239-Y427 HydrophobicContact CB-CD1 3.99Å; P239-Y427 HydrophobicContact CB-CD2 4.24Å; P239-Y427 HydrophobicContact CB-CE1 3.65Å; P239-Y427 HydrophobicContact CB-CE2 3.91Å; P239-Y427 HydrophobicContact CB-CG 4.28Å; P239-Y427 HydrophobicContact CG-CE1 4.32Å; P239-Y427 HydrophobicContact CG-CE2 4.07Å
240	A	98.8	Very high	98.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-58.8	-35.5	175.8	0	0	0	0	0	112.9	E237 S238 V243 C244 V331 S333	E237-A240 WeakPolarHBondContact O-CB 3.27Å; E237-A240 PolarHBondContact O-N 2.89Å; S238-A240 PolarHBondContact O-N 3.29Å; A240-V243 PolarHBondContact O-N 3.27Å; A240-C244 VanDerWaalsContact O-CB 3.3Å; A240-C244 WeakPolarHBondContact O-CB 3.37Å; A240-C244 PolarHBondContact O-N 3.29Å; A240-V331 HydrophobicContact CB-CB 4.31Å; A240-V331 HydrophobicContact CB-CG1 3.85Å; A240-V331 WeakPolarHBondContact CB-O 3.31Å; A240-S333 PolarHBondContact N-OG 3.45Å
241	S	98.9	Very high	98.8	Very high	4 Å²	4	5.3 Å²	5.3	3%	0.028	3%	0.027	C	C	.	.	H	α-helix	trans	-67.3	-37.5	176.3	-65.5	0	0	0	0	112.3	R232 S238 P239 C244 Q245	R232-S241 WeakPolarHBondContact CG-OG 3.35Å; S238-S241 WeakPolarHBondContact O-CB 3.41Å; S238-S241 PolarHBondContact O-N 2.83Å; P239-S241 VanDerWaalsContact C-N 3.26Å; P239-S241 PolarHBondContact O-N 3.19Å; S241-C244 PolarHBondContact O-N 3.38Å; S241-Q245 WeakPolarHBondContact O-CB 3.5Å; S241-Q245 PolarHBondContact O-N 2.82Å
242	F	98.9	Very high	98.8	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-68.8	-42	175.6	-67	-81.2	0	0	0	111.8	Y173 S238 P239 Q245 G246 E424 Y427 M428	Y173-F242 AromaticContact CD2-CD1 3.92Å; Y173-F242 HydrophobicContact CD2-CD1 3.92Å; Y173-F242 HydrophobicContact CD2-CD2 4.05Å; Y173-F242 AromaticContact CD2-CE1 3.75Å; Y173-F242 HydrophobicContact CD2-CE1 3.75Å; Y173-F242 AromaticContact CD2-CE2 3.9Å; Y173-F242 HydrophobicContact CD2-CE2 3.9Å; Y173-F242 HydrophobicContact CD2-CG 4.07Å; Y173-F242 AromaticContact CD2-CZ 3.75Å; Y173-F242 HydrophobicContact CD2-CZ 3.75Å; Y173-F242 HydrophobicContact CE2-CD1 4.24Å; Y173-F242 HydrophobicContact CE2-CE1 4.28Å; Y173-F242 HydrophobicContact CG-CE2 4.45Å; Y173-F242 HydrophobicContact CG-CZ 4.47Å; S238-F242 VanDerWaalsContact O-CD2 3.31Å; S238-F242 WeakPolarHBondContact O-CD2 3.49Å; P239-F242 PolarHBondContact O-N 2.98Å; P239-F242 VanDerWaalsContact O-N 3.12Å; F242-Q245 PolarHBondContact O-N 2.57Å; F242-G246 PolarHBondContact O-N 3.1Å; F242-E424 HydrophobicContact CD1-CB 3.93Å; F242-E424 HydrophobicContact CD1-CG 4.23Å; F242-E424 HydrophobicContact CE1-CB 3.69Å; F242-E424 HydrophobicContact CE1-CG 3.55Å; F242-E424 VanDerWaalsContact CE1-OE2 3.26Å; F242-E424 WeakPolarHBondContact CE1-OE2 3.39Å; F242-E424 HydrophobicContact CZ-CB 4.34Å; F242-E424 HydrophobicContact CZ-CG 3.72Å; F242-Y427 VanDerWaalsContact CB-CB 3.49Å; F242-Y427 HydrophobicContact CB-CD2 4.48Å; F242-Y427 HydrophobicContact CB-CG 4.32Å; F242-M428 HydrophobicContact CB-CG 4.24Å; F242-M428 HydrophobicContact CD1-CG 4.47Å; F242-M428 WeakPolarHBondContact O-CA 3.36Å; F242-M428 VanDerWaalsContact O-CG 3.29Å; F242-M428 WeakPolarHBondContact O-CG 3.49Å
243	V	98.9	Very high	98.8	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-59.9	-47.3	173.1	174.9	0	0	0	0	110.3	P239 A240 Q245 G246 V247 V331 L404 V406 Y427 L430 G431	P239-V243 PolarHBondContact O-N 3.46Å; A240-V243 PolarHBondContact O-N 3.27Å; V243-Q245 PolarHBondContact O-N 3.21Å; V243-G246 PolarHBondContact O-N 2.69Å; V243-G246 VanDerWaalsContact O-N 3.12Å; V243-V247 PolarHBondContact O-N 3.42Å; V243-V331 HydrophobicContact CB-CG1 4.04Å; V243-V331 HydrophobicContact CG1-CG1 3.91Å; V243-L404 HydrophobicContact CG1-CD2 4.15Å; V243-V406 HydrophobicContact CG2-CB 4.44Å; V243-V406 HydrophobicContact CG2-CG1 3.97Å; V243-Y427 WeakPolarHBondContact CG2-O 3.4Å; V243-L430 HydrophobicContact CG2-CD2 4.24Å; V243-G431 VanDerWaalsContact O-CA 3.23Å; V243-G431 WeakPolarHBondContact O-CA 3.15Å
244	C	98.9	Very high	98.7	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.02	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-43.8	177.9	-171.9	0	0	0	0	112.2	A231 A240 S241 G246 V247 I248	A231-C244 HydrophobicContact CB-CB 3.69Å; A240-C244 VanDerWaalsContact O-CB 3.3Å; A240-C244 WeakPolarHBondContact O-CB 3.37Å; A240-C244 PolarHBondContact O-N 3.29Å; S241-C244 PolarHBondContact O-N 3.38Å; C244-G246 VanDerWaalsContact C-N 3.29Å; C244-G246 PolarHBondContact O-N 3.02Å; C244-V247 WeakPolarHBondContact O-CB 3.41Å; C244-V247 PolarHBondContact O-N 2.92Å; C244-V247 VanDerWaalsContact O-N 3.17Å; C244-I248 WeakPolarHBondContact O-CG1 3.29Å; C244-I248 PolarHBondContact O-N 2.93Å
245	Q	98.9	Very high	98.7	Very high	24 Å²	24	16.3 Å²	16.3	11%	0.112	8%	0.082	C	C	.	.	H	α-helix	trans	-59	-41.3	173.4	178.8	170.7	-25.9	0	0	111.6	Y173 Y181 S241 F242 V243 V247 I248 D249 M428	Y173-Q245 PolarHBondContact OH-OE1 3.16Å; Y181-Q245 HydrophobicContact CE1-CG 3.94Å; Y181-Q245 HydrophobicContact CE2-CG 3.98Å; S241-Q245 WeakPolarHBondContact O-CB 3.5Å; S241-Q245 PolarHBondContact O-N 2.82Å; F242-Q245 PolarHBondContact O-N 2.57Å; V243-Q245 PolarHBondContact O-N 3.21Å; Q245-V247 VanDerWaalsContact C-N 3.33Å; Q245-V247 PolarHBondContact O-N 3.24Å; Q245-I248 PolarHBondContact O-N 3.1Å; Q245-D249 WeakPolarHBondContact O-CB 3.45Å; Q245-D249 PolarHBondContact O-N 2.82Å; Q245-M428 HydrophobicContact CG-SD 4.29Å
246	G	98.9	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.8	-39.9	175.1	0	0	0	0	0	113.8	F242 V243 C244 F250 M428 K432	F242-G246 PolarHBondContact O-N 3.1Å; V243-G246 PolarHBondContact O-N 2.69Å; V243-G246 VanDerWaalsContact O-N 3.12Å; C244-G246 VanDerWaalsContact C-N 3.29Å; C244-G246 PolarHBondContact O-N 3.02Å; G246-F250 PolarHBondContact O-N 2.97Å; G246-F250 VanDerWaalsContact O-N 3.14Å; G246-M428 VanDerWaalsContact CA-O 3.3Å; G246-M428 WeakPolarHBondContact CA-O 3.48Å; G246-K432 VanDerWaalsContact O-CG 3.27Å; G246-K432 WeakPolarHBondContact O-CG 3.36Å
247	V	98.9	Very high	98.6	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-61	-51.4	172.8	172	0	0	0	0	110.1	L229 V243 C244 Q245 F250 L251 I269 G431 V434 A435	L229-V247 HydrophobicContact CD2-CG1 4.21Å; L229-V247 HydrophobicContact CD2-CG2 4.41Å; V243-V247 PolarHBondContact O-N 3.42Å; C244-V247 WeakPolarHBondContact O-CB 3.41Å; C244-V247 PolarHBondContact O-N 2.92Å; C244-V247 VanDerWaalsContact O-N 3.17Å; Q245-V247 VanDerWaalsContact C-N 3.33Å; Q245-V247 PolarHBondContact O-N 3.24Å; V247-F250 PolarHBondContact O-N 3.41Å; V247-L251 HydrophobicContact CG1-CD1 3.72Å; V247-L251 HydrophobicContact CG1-CG 4.4Å; V247-L251 WeakPolarHBondContact O-CG 3.39Å; V247-L251 PolarHBondContact O-N 3.45Å; V247-I269 HydrophobicContact CG1-CD1 4Å; V247-G431 VanDerWaalsContact CG2-O 3.22Å; V247-G431 WeakPolarHBondContact CG2-O 3.27Å; V247-V434 HydrophobicContact CG2-CB 4.26Å; V247-V434 HydrophobicContact CG2-CG1 4.28Å; V247-A435 HydrophobicContact CG1-CB 4.17Å
248	I	98.9	Very high	98.6	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-50.7	-178.8	-63.1	160.4	0	0	0	110.3	Y181 L185 L210 I212 C244 Q245 F250 L251 V252 I269 P271	Y181-I248 HydrophobicContact CE1-CD1 4.27Å; Y181-I248 HydrophobicContact CE1-CG2 4.29Å; Y181-I248 VanDerWaalsContact OH-CG2 3.24Å; Y181-I248 WeakPolarHBondContact OH-CG2 3.35Å; L185-I248 HydrophobicContact CD1-CG2 3.62Å; L210-I248 HydrophobicContact CD1-CD1 3.65Å; L210-I248 HydrophobicContact CD1-CG1 3.99Å; L210-I248 HydrophobicContact CD1-CG2 4.05Å; I212-I248 HydrophobicContact CD1-CG2 4.24Å; C244-I248 WeakPolarHBondContact O-CG1 3.29Å; C244-I248 PolarHBondContact O-N 2.93Å; Q245-I248 PolarHBondContact O-N 3.1Å; I248-F250 VanDerWaalsContact C-N 3.27Å; I248-F250 PolarHBondContact O-N 3.05Å; I248-L251 PolarHBondContact O-N 3.2Å; I248-L251 VanDerWaalsContact O-N 3.1Å; I248-V252 HydrophobicContact CG2-CG1 4.25Å; I248-V252 WeakPolarHBondContact O-CG1 3.17Å; I248-V252 WeakPolarHBondContact O-CG2 3.42Å; I248-V252 PolarHBondContact O-N 3.07Å; I248-I269 HydrophobicContact CD1-CG2 4.23Å; I248-I269 HydrophobicContact CG1-CD1 3.89Å; I248-I269 HydrophobicContact CG1-CG2 4.23Å; I248-P271 HydrophobicContact CD1-CB 4.34Å; I248-P271 HydrophobicContact CD1-CG 4Å
249	D	98.8	Very high	98.5	Very high	43 Å²	43	24.8 Å²	24.8	23%	0.23	13%	0.129	C	C	.	.	H	α-helix	trans	-56.4	-40.1	-179.5	-78.4	-14.1	0	0	0	112.1	Y181 Q245 S253	Y181-D249 WeakPolarHBondContact CE2-OD1 3.24Å; Y181-D249 PolarHBondContact OH-OD1 3.15Å; Q245-D249 WeakPolarHBondContact O-CB 3.45Å; Q245-D249 PolarHBondContact O-N 2.82Å; D249-S253 WeakPolarHBondContact O-CB 3.45Å; D249-S253 PolarHBondContact O-N 3.41Å
250	F	98.9	Very high	98.4	Very high	16 Å²	16	26.7 Å²	26.7	7%	0.07	14%	0.141	C	C	.	.	H	α-helix	trans	-66.3	-51	174.8	-177	-97.3	0	0	0	111.4	G246 V247 I248 V252 S253 H255 V257 A258 L261 K432 A435 R436	G246-F250 PolarHBondContact O-N 2.97Å; G246-F250 VanDerWaalsContact O-N 3.14Å; V247-F250 PolarHBondContact O-N 3.41Å; I248-F250 VanDerWaalsContact C-N 3.27Å; I248-F250 PolarHBondContact O-N 3.05Å; F250-V252 PolarHBondContact O-N 3.22Å; F250-S253 VanDerWaalsContact O-CB 3.31Å; F250-S253 WeakPolarHBondContact O-CB 3.23Å; F250-S253 PolarHBondContact O-N 3.15Å; F250-S253 PolarHBondContact O-OG 3.33Å; F250-H255 HydrophobicContact CE2-CB 4.32Å; F250-H255 AromaticContact CE2-CG 3.98Å; F250-V257 HydrophobicContact CE1-CG1 4.02Å; F250-V257 HydrophobicContact CZ-CB 3.94Å; F250-V257 HydrophobicContact CZ-CG1 3.75Å; F250-A258 HydrophobicContact CD1-CB 4.25Å; F250-A258 HydrophobicContact CE1-CB 4.09Å; F250-A258 WeakPolarHBondContact O-CB 3.47Å; F250-L261 HydrophobicContact CE1-CD1 4.12Å; F250-K432 HydrophobicContact CB-CB 4.27Å; F250-K432 HydrophobicContact CB-CG 4.11Å; F250-K432 HydrophobicContact CD2-CB 4.39Å; F250-A435 HydrophobicContact CB-CB 4.01Å; F250-A435 HydrophobicContact CD1-CB 3.43Å; F250-A435 VanDerWaalsContact CD1-CB 3.43Å; F250-A435 HydrophobicContact CE1-CB 4.17Å; F250-A435 HydrophobicContact CG-CB 3.99Å; F250-R436 HydrophobicContact CE1-CB 4.19Å; F250-R436 HydrophobicContact CE2-CB 4.3Å; F250-R436 HydrophobicContact CZ-CB 3.82Å; F250-R436 HydrophobicContact CZ-CG 4.14Å
251	L	98.9	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.1	-25.3	-176.2	-69.2	174.2	0	0	0	113.2	I212 V247 I248 L261 R262 F267 I269 A435	I212-L251 HydrophobicContact CD1-CB 4.03Å; I212-L251 HydrophobicContact CD1-CD1 4.34Å; I212-L251 HydrophobicContact CG2-CB 3.99Å; V247-L251 HydrophobicContact CG1-CD1 3.72Å; V247-L251 HydrophobicContact CG1-CG 4.4Å; V247-L251 WeakPolarHBondContact O-CG 3.39Å; V247-L251 PolarHBondContact O-N 3.45Å; I248-L251 PolarHBondContact O-N 3.2Å; I248-L251 VanDerWaalsContact O-N 3.1Å; L251-L261 HydrophobicContact CD2-CD1 4.21Å; L251-R262 WeakPolarHBondContact O-CD 3.3Å; L251-R262 PolarHBondContact O-NH1 2.94Å; L251-F267 HydrophobicContact CD1-CB 3.98Å; L251-F267 HydrophobicContact CD1-CD1 3.67Å; L251-F267 HydrophobicContact CD1-CD2 3.99Å; L251-F267 HydrophobicContact CD1-CE1 4.14Å; L251-F267 HydrophobicContact CD1-CE2 4.43Å; L251-F267 HydrophobicContact CD1-CG 3.59Å; L251-F267 HydrophobicContact CD1-CZ 4.5Å; L251-F267 HydrophobicContact CD2-CD1 4.42Å; L251-F267 HydrophobicContact CD2-CD2 3.92Å; L251-F267 HydrophobicContact CD2-CE1 4.16Å; L251-F267 HydrophobicContact CD2-CE2 3.64Å; L251-F267 HydrophobicContact CD2-CG 4.3Å; L251-F267 HydrophobicContact CD2-CZ 3.76Å; L251-I269 HydrophobicContact CD1-CD1 3.95Å; L251-A435 HydrophobicContact CD2-CB 4.3Å; L251-A435 HydrophobicContact CG-CB 4.18Å
252	V	98.6	Very high	98.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	5.4	175.2	-53.5	0	0	0	0	113.8	L185 R188 L190 Y192 L193 I212 I248 F250	L185-V252 HydrophobicContact CD2-CG2 4.09Å; R188-V252 PolarHBondContact NH2-O 3.2Å; L190-V252 HydrophobicContact CD1-CB 3.92Å; Y192-V252 HydrophobicContact CE2-CB 4.33Å; Y192-V252 PolarHBondContact OH-O 2.97Å; L193-V252 HydrophobicContact CD1-CG1 4.44Å; L193-V252 HydrophobicContact CD2-CG1 4.37Å; I212-V252 HydrophobicContact CD1-CG1 3.83Å; I212-V252 HydrophobicContact CG1-CG1 4.29Å; I212-V252 HydrophobicContact CG2-CG1 4.44Å; I248-V252 HydrophobicContact CG2-CG1 4.25Å; I248-V252 WeakPolarHBondContact O-CG1 3.17Å; I248-V252 WeakPolarHBondContact O-CG2 3.42Å; I248-V252 PolarHBondContact O-N 3.07Å; F250-V252 PolarHBondContact O-N 3.22Å
253	S	98.5	Very high	98.1	Very high	31 Å²	31	29.9 Å²	29.9	22%	0.217	16%	0.157	C	C	.	.	S	Bend	trans	-82.8	168.2	179.2	76.7	0	0	0	0	112.6	D249 F250 H255 R262	D249-S253 WeakPolarHBondContact O-CB 3.45Å; D249-S253 PolarHBondContact O-N 3.41Å; F250-S253 VanDerWaalsContact O-CB 3.31Å; F250-S253 WeakPolarHBondContact O-CB 3.23Å; F250-S253 PolarHBondContact O-N 3.15Å; F250-S253 PolarHBondContact O-OG 3.33Å; S253-H255 PolarHBondContact O-N 3.2Å; S253-H255 VanDerWaalsContact OG-CB 3.27Å; S253-H255 WeakPolarHBondContact OG-CB 3.22Å; S253-H255 PolarHBondContact OG-N 3.43Å; S253-R262 PolarHBondContact O-NH1 2.77Å; S253-R262 PolarHBondContact O-NH2 3.14Å
254	H	97.3	Very high	97.9	Very high	140 Å²	140	32.8 Å²	32.8	65%	0.648	17%	0.171	S	C	*	.			trans	-81	7.7	171.2	-60.7	-75.7	0	0	0	113.4	Q259	H254-Q259 PolarHBondContact O-NE2 2.67Å
255	H	98.2	Very high	97.9	Very high	72 Å²	72	32.7 Å²	32.7	33%	0.333	17%	0.17	S	C	.	.			trans	-60.9	133.2	179.9	-167.6	-77.9	0	0	0	110.3	F250 S253 V257 A258 Q259	F250-H255 HydrophobicContact CE2-CB 4.32Å; F250-H255 AromaticContact CE2-CG 3.98Å; S253-H255 PolarHBondContact O-N 3.2Å; S253-H255 VanDerWaalsContact OG-CB 3.27Å; S253-H255 WeakPolarHBondContact OG-CB 3.22Å; S253-H255 PolarHBondContact OG-N 3.43Å; H255-V257 VanDerWaalsContact C-N 3.28Å; H255-V257 VanDerWaalsContact CE1-CG2 3.49Å; H255-V257 WeakPolarHBondContact CE1-CG2 3.42Å; H255-V257 WeakPolarHBondContact ND1-CB 3.3Å; H255-V257 PolarHBondContact ND1-N 3.06Å; H255-V257 VanDerWaalsContact ND1-N 3.19Å; H255-V257 PolarHBondContact O-N 3.14Å; H255-A258 HydrophobicContact CB-CB 4.23Å; H255-A258 WeakPolarHBondContact O-CA 3.28Å; H255-A258 WeakPolarHBondContact O-CB 3.33Å; H255-A258 PolarHBondContact O-N 3.27Å; H255-Q259 PolarHBondContact O-N 3.29Å; H255-Q259 VanDerWaalsContact O-N 3.08Å
256	P	97.5	Very high	97.8	Very high	80 Å²	80	32.3 Å²	32.3	52%	0.519	17%	0.169	S	C	.	.	H	α-helix	trans	-55.6	-40.5	-177	-29.1	35.4	0	0	0	113.5	A258 Q259 V260	P256-A258 VanDerWaalsContact C-N 3.3Å; P256-A258 PolarHBondContact O-N 3.35Å; P256-Q259 WeakPolarHBondContact O-CB 3.38Å; P256-Q259 PolarHBondContact O-N 2.92Å; P256-Q259 VanDerWaalsContact O-N 3.16Å; P256-V260 WeakPolarHBondContact O-CG2 3.01Å; P256-V260 PolarHBondContact O-N 3.22Å
257	V	97.4	Very high	97.8	Very high	22 Å²	22	32.3 Å²	32.3	13%	0.133	17%	0.169	C	C	.	.	H	α-helix	trans	-58.4	-40.6	173.4	172.9	0	0	0	0	112.3	F250 H255 Q259 V260 L261 R436 L439	F250-V257 HydrophobicContact CE1-CG1 4.02Å; F250-V257 HydrophobicContact CZ-CB 3.94Å; F250-V257 HydrophobicContact CZ-CG1 3.75Å; H255-V257 VanDerWaalsContact C-N 3.28Å; H255-V257 VanDerWaalsContact CE1-CG2 3.49Å; H255-V257 WeakPolarHBondContact CE1-CG2 3.42Å; H255-V257 WeakPolarHBondContact ND1-CB 3.3Å; H255-V257 PolarHBondContact ND1-N 3.06Å; H255-V257 VanDerWaalsContact ND1-N 3.19Å; H255-V257 PolarHBondContact O-N 3.14Å; V257-Q259 VanDerWaalsContact C-N 3.34Å; V257-V260 PolarHBondContact O-N 2.68Å; V257-L261 HydrophobicContact CG1-CD1 4.01Å; V257-L261 HydrophobicContact CG1-CG 4.41Å; V257-L261 WeakPolarHBondContact O-CB 3.47Å; V257-L261 VanDerWaalsContact O-CG 3.28Å; V257-L261 WeakPolarHBondContact O-CG 3.35Å; V257-L261 PolarHBondContact O-N 3.16Å; V257-R436 HydrophobicContact CG1-CG 4.3Å; V257-L439 HydrophobicContact CB-CD2 3.98Å; V257-L439 HydrophobicContact CG1-CB 3.73Å; V257-L439 HydrophobicContact CG1-CD2 3.55Å; V257-L439 HydrophobicContact CG1-CG 4.23Å; V257-L439 HydrophobicContact CG2-CD2 3.61Å
258	A	98.3	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.4	-35.2	178.3	0	0	0	0	0	111.5	F250 H255 P256 L261 R262	F250-A258 HydrophobicContact CD1-CB 4.25Å; F250-A258 HydrophobicContact CE1-CB 4.09Å; F250-A258 WeakPolarHBondContact O-CB 3.47Å; H255-A258 HydrophobicContact CB-CB 4.23Å; H255-A258 WeakPolarHBondContact O-CA 3.28Å; H255-A258 WeakPolarHBondContact O-CB 3.33Å; H255-A258 PolarHBondContact O-N 3.27Å; P256-A258 VanDerWaalsContact C-N 3.3Å; P256-A258 PolarHBondContact O-N 3.35Å; A258-L261 PolarHBondContact O-N 2.75Å; A258-R262 VanDerWaalsContact O-CG 3.28Å; A258-R262 WeakPolarHBondContact O-CG 3.44Å; A258-R262 PolarHBondContact O-N 3.42Å
259	Q	97.6	Very high	97.8	Very high	83 Å²	83	33.4 Å²	33.4	39%	0.388	17%	0.173	S	C	.	.	H	α-helix	trans	-60.5	-53.9	172.7	-67	171	-5.7	0	0	110.9	H254 H255 P256 V257 L261 R262 D263	H254-Q259 PolarHBondContact O-NE2 2.67Å; H255-Q259 PolarHBondContact O-N 3.29Å; H255-Q259 VanDerWaalsContact O-N 3.08Å; P256-Q259 WeakPolarHBondContact O-CB 3.38Å; P256-Q259 PolarHBondContact O-N 2.92Å; P256-Q259 VanDerWaalsContact O-N 3.16Å; V257-Q259 VanDerWaalsContact C-N 3.34Å; Q259-L261 VanDerWaalsContact C-N 3.27Å; Q259-L261 PolarHBondContact O-N 3.27Å; Q259-R262 WeakPolarHBondContact O-CA 3.49Å; Q259-R262 WeakPolarHBondContact O-CB 3.42Å; Q259-R262 PolarHBondContact O-N 3.22Å; Q259-D263 PolarHBondContact O-N 3.19Å
260	V	96.4	Very high	97.8	Very high	40 Å²	40	31.4 Å²	31.4	24%	0.242	16%	0.162	C	C	.	.	H	α-helix	trans	-57.2	-41.3	178.8	175.5	0	0	0	0	111.7	P256 V257 D263 H264 L439	P256-V260 WeakPolarHBondContact O-CG2 3.01Å; P256-V260 PolarHBondContact O-N 3.22Å; V257-V260 PolarHBondContact O-N 2.68Å; V260-D263 PolarHBondContact O-N 3.21Å; V260-H264 PolarHBondContact O-N 2.79Å; V260-H264 PolarHBondContact O-ND1 3.03Å; V260-L439 HydrophobicContact CB-CD1 4.44Å; V260-L439 HydrophobicContact CG1-CD1 3.73Å
261	L	97.8	Very high	97.8	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-43.8	175.6	-75.1	172.8	0	0	0	111.8	F250 L251 V257 A258 Q259 D263 H264 V265 F267 A435 F438 L439 Y442	F250-L261 HydrophobicContact CE1-CD1 4.12Å; L251-L261 HydrophobicContact CD2-CD1 4.21Å; V257-L261 HydrophobicContact CG1-CD1 4.01Å; V257-L261 HydrophobicContact CG1-CG 4.41Å; V257-L261 WeakPolarHBondContact O-CB 3.47Å; V257-L261 VanDerWaalsContact O-CG 3.28Å; V257-L261 WeakPolarHBondContact O-CG 3.35Å; V257-L261 PolarHBondContact O-N 3.16Å; A258-L261 PolarHBondContact O-N 2.75Å; Q259-L261 VanDerWaalsContact C-N 3.27Å; Q259-L261 PolarHBondContact O-N 3.27Å; L261-D263 VanDerWaalsContact C-N 3.26Å; L261-D263 PolarHBondContact O-N 3.48Å; L261-H264 PolarHBondContact O-N 2.81Å; L261-V265 HydrophobicContact CD2-CG2 4.4Å; L261-V265 WeakPolarHBondContact O-CA 3.49Å; L261-V265 VanDerWaalsContact O-CB 3.31Å; L261-V265 WeakPolarHBondContact O-CB 3.27Å; L261-V265 PolarHBondContact O-N 2.91Å; L261-F267 HydrophobicContact CB-CE2 4.05Å; L261-F267 HydrophobicContact CB-CZ 4.34Å; L261-F267 HydrophobicContact CD1-CZ 4.49Å; L261-F267 HydrophobicContact CD2-CZ 4.36Å; L261-A435 VanDerWaalsContact CD1-O 3.32Å; L261-A435 WeakPolarHBondContact CD1-O 3.41Å; L261-F438 HydrophobicContact CD1-CB 4.48Å; L261-F438 HydrophobicContact CD2-CB 3.8Å; L261-L439 HydrophobicContact CD2-CB 4.18Å; L261-L439 HydrophobicContact CG-CB 4.39Å; L261-Y442 HydrophobicContact CD2-CD2 4.32Å
262	R	97.9	Very high	97.8	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.019	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-27.1	177.4	-70.8	-173.5	-55	-98.7	6.1	113.2	Y192 I212 T213 N214 L251 S253 A258 Q259 H264	Y192-R262 VanDerWaalsContact CD2-CD 3.41Å; I212-R262 HydrophobicContact CG2-CG 4.03Å; T213-R262 PolarHBondContact OG1-O 3.33Å; T213-R262 VanDerWaalsContact OG1-O 3.1Å; N214-R262 PolarHBondContact N-O 3.17Å; L251-R262 WeakPolarHBondContact O-CD 3.3Å; L251-R262 PolarHBondContact O-NH1 2.94Å; S253-R262 PolarHBondContact O-NH1 2.77Å; S253-R262 PolarHBondContact O-NH2 3.14Å; A258-R262 VanDerWaalsContact O-CG 3.28Å; A258-R262 WeakPolarHBondContact O-CG 3.44Å; A258-R262 PolarHBondContact O-N 3.42Å; Q259-R262 WeakPolarHBondContact O-CA 3.49Å; Q259-R262 WeakPolarHBondContact O-CB 3.42Å; Q259-R262 PolarHBondContact O-N 3.22Å; R262-H264 VanDerWaalsContact C-N 3.3Å
263	D	95.6	Very high	97.8	Very high	63 Å²	63	31.1 Å²	31.1	34%	0.337	16%	0.162	S	C	.	.	H	α-helix	trans	-70.9	-23.8	176.6	-67.2	-35.2	0	0	0	113.2	N214 N217 Q259 V260 L261	N214-D263 PolarHBondContact ND2-OD1 2.72Å; N217-D263 WeakPolarHBondContact CB-O 3.47Å; N217-D263 VanDerWaalsContact CG-O 3.31Å; N217-D263 PolarHBondContact OD1-O 3.45Å; Q259-D263 PolarHBondContact O-N 3.19Å; V260-D263 PolarHBondContact O-N 3.21Å; L261-D263 VanDerWaalsContact C-N 3.26Å; L261-D263 PolarHBondContact O-N 3.48Å
264	H	94.6	Very high	97.9	Very high	61 Å²	61	29.9 Å²	29.9	28%	0.282	15%	0.153	S	C	.	.	H	α-helix	trans	-127.2	-15.3	-169.4	-59.8	85.7	0	0	0	114.3	V260 L261 R262 L447	V260-H264 PolarHBondContact O-N 2.79Å; V260-H264 PolarHBondContact O-ND1 3.03Å; L261-H264 PolarHBondContact O-N 2.81Å; R262-H264 VanDerWaalsContact C-N 3.3Å; H264-L447 HydrophobicContact CB-CD2 4.43Å
265	V	97.3	Very high	97.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.1	-171.6	-171.5	0	0	0	0	109.7	T213 N217 V227 L261 F267 Y442	T213-V265 WeakPolarHBondContact CB-O 3.35Å; T213-V265 PolarHBondContact OG1-O 3.02Å; N217-V265 PolarHBondContact ND2-N 3.26Å; V227-V265 HydrophobicContact CB-CG1 4.4Å; V227-V265 HydrophobicContact CG2-CG1 3.73Å; L261-V265 HydrophobicContact CD2-CG2 4.4Å; L261-V265 WeakPolarHBondContact O-CA 3.49Å; L261-V265 VanDerWaalsContact O-CB 3.31Å; L261-V265 WeakPolarHBondContact O-CB 3.27Å; L261-V265 PolarHBondContact O-N 2.91Å; V265-F267 HydrophobicContact CB-CD2 4.37Å; V265-F267 HydrophobicContact CB-CE2 3.7Å; V265-F267 HydrophobicContact CB-CZ 4.08Å; V265-F267 HydrophobicContact CG1-CD2 4.15Å; V265-F267 HydrophobicContact CG1-CE1 4.24Å; V265-F267 HydrophobicContact CG1-CE2 3.67Å; V265-F267 HydrophobicContact CG1-CZ 3.72Å; V265-Y442 HydrophobicContact CG1-CE2 4.25Å; V265-Y442 HydrophobicContact CG2-CD2 3.84Å; V265-Y442 HydrophobicContact CG2-CE2 3.48Å; V265-Y442 VanDerWaalsContact CG2-CE2 3.48Å
266	I	98.4	Very high	97.9	Very high	16 Å²	16	20.1 Å²	20.1	8%	0.082	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.5	169.5	-54.1	-176.9	0	0	0	107.8	T211 T213 K224 K225 L226 V227 K268	T211-I266 HydrophobicContact CG2-CG2 4.02Å; T213-I266 HydrophobicContact CG2-CG1 4.14Å; T213-I266 HydrophobicContact CG2-CG2 4.28Å; K224-I266 HydrophobicContact CB-CD1 3.86Å; K224-I266 HydrophobicContact CD-CD1 4.13Å; K224-I266 HydrophobicContact CG-CD1 4.15Å; K225-I266 PolarHBondContact O-N 3.16Å; L226-I266 WeakPolarHBondContact CA-O 3.42Å; L226-I266 HydrophobicContact CD1-CB 3.95Å; L226-I266 HydrophobicContact CD1-CG2 3.81Å; L226-I266 WeakPolarHBondContact CD1-O 3.32Å; V227-I266 PolarHBondContact N-O 3.31Å; I266-K268 HydrophobicContact CG2-CG 4.44Å
267	F	98.8	Very high	98	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.7	171.3	-65.5	-90.5	0	0	0	109.8	T211 I212 V227 L229 L251 L261 V265 I269 F438	T211-F267 CarbonylContact C-O 3.46Å; T211-F267 VanDerWaalsContact CA-O 3.31Å; T211-F267 WeakPolarHBondContact CA-O 3.21Å; I212-F267 HydrophobicContact CB-CB 4.28Å; I212-F267 PolarHBondContact N-O 3.1Å; I212-F267 PolarHBondContact O-N 2.73Å; I212-F267 VanDerWaalsContact O-N 3.08Å; V227-F267 HydrophobicContact CB-CD1 3.76Å; V227-F267 HydrophobicContact CB-CE1 3.88Å; V227-F267 HydrophobicContact CG1-CD1 3.96Å; V227-F267 HydrophobicContact CG1-CE1 4.04Å; V227-F267 HydrophobicContact CG2-CD1 4.39Å; V227-F267 HydrophobicContact CG2-CE1 4.02Å; V227-F267 WeakPolarHBondContact O-CA 3.41Å; L229-F267 HydrophobicContact CD1-CD1 4.22Å; L251-F267 HydrophobicContact CD1-CB 3.98Å; L251-F267 HydrophobicContact CD1-CD1 3.67Å; L251-F267 HydrophobicContact CD1-CD2 3.99Å; L251-F267 HydrophobicContact CD1-CE1 4.14Å; L251-F267 HydrophobicContact CD1-CE2 4.43Å; L251-F267 HydrophobicContact CD1-CG 3.59Å; L251-F267 HydrophobicContact CD1-CZ 4.5Å; L251-F267 HydrophobicContact CD2-CD1 4.42Å; L251-F267 HydrophobicContact CD2-CD2 3.92Å; L251-F267 HydrophobicContact CD2-CE1 4.16Å; L251-F267 HydrophobicContact CD2-CE2 3.64Å; L251-F267 HydrophobicContact CD2-CG 4.3Å; L251-F267 HydrophobicContact CD2-CZ 3.76Å; L261-F267 HydrophobicContact CB-CE2 4.05Å; L261-F267 HydrophobicContact CB-CZ 4.34Å; L261-F267 HydrophobicContact CD1-CZ 4.49Å; L261-F267 HydrophobicContact CD2-CZ 4.36Å; V265-F267 HydrophobicContact CB-CD2 4.37Å; V265-F267 HydrophobicContact CB-CE2 3.7Å; V265-F267 HydrophobicContact CB-CZ 4.08Å; V265-F267 HydrophobicContact CG1-CD2 4.15Å; V265-F267 HydrophobicContact CG1-CE1 4.24Å; V265-F267 HydrophobicContact CG1-CE2 3.67Å; V265-F267 HydrophobicContact CG1-CZ 3.72Å; F267-I269 HydrophobicContact CB-CD1 4.45Å; F267-I269 HydrophobicContact CB-CG1 4.41Å; F267-F438 AromaticContact CE1-CD2 3.76Å; F267-F438 HydrophobicContact CE1-CD2 3.76Å; F267-F438 AromaticContact CE1-CE2 3.97Å; F267-F438 HydrophobicContact CE1-CE2 3.97Å; F267-F438 HydrophobicContact CE1-CG 4.24Å; F267-F438 HydrophobicContact CZ-CD2 4.25Å; F267-F438 HydrophobicContact CZ-CG 4.45Å
268	K	98.9	Very high	98.1	Very high	25 Å²	25	15.2 Å²	15.2	11%	0.109	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.6	170.6	-70.8	-72.8	179.4	167.8	0	108.4	E196 L209 L210 T211 L226 V227 F228 L229 I266 M317	E196-K268 IonicContact OE2-NZ 2.68Å; L209-K268 HydrophobicContact CD1-CB 4.14Å; L209-K268 HydrophobicContact CD1-CD 4.04Å; L209-K268 HydrophobicContact CD2-CD 4.15Å; L209-K268 HydrophobicContact CG-CD 4.32Å; L210-K268 CarbonylContact O-C 3.57Å; L210-K268 WeakPolarHBondContact O-CA 3.34Å; T211-K268 HydrophobicContact CG2-CD 4.17Å; T211-K268 WeakPolarHBondContact OG1-CD 3.47Å; T211-K268 WeakPolarHBondContact OG1-CE 3.45Å; T211-K268 PolarHBondContact OG1-NZ 2.86Å; L226-K268 HydrophobicContact CD1-CB 4.18Å; L226-K268 HydrophobicContact CD1-CG 3.53Å; V227-K268 PolarHBondContact O-N 2.88Å; F228-K268 CarbonylContact C-O 3.56Å; F228-K268 WeakPolarHBondContact CA-O 3.39Å; F228-K268 HydrophobicContact CD2-CB 3.54Å; F228-K268 HydrophobicContact CD2-CG 4.3Å; F228-K268 HydrophobicContact CE2-CB 3.7Å; F228-K268 HydrophobicContact CE2-CG 4.38Å; F228-K268 HydrophobicContact CG-CB 4.13Å; F228-K268 HydrophobicContact CZ-CB 4.39Å; L229-K268 PolarHBondContact N-O 3.38Å; I266-K268 HydrophobicContact CG2-CG 4.44Å; K268-M317 HydrophobicContact CD-CE 3.92Å; K268-M317 HydrophobicContact CG-CE 4.08Å; K268-M317 HydrophobicContact CG-SD 4.19Å
269	I	98.9	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.8	-172.6	-51.6	-178.6	0	0	0	110	L210 I212 L229 V247 I248 L251 F267 P271	L210-I269 HydrophobicContact CB-CB 4.32Å; L210-I269 PolarHBondContact N-O 2.87Å; L210-I269 PolarHBondContact O-N 3.46Å; I212-I269 HydrophobicContact CD1-CD1 4.1Å; L229-I269 HydrophobicContact CB-CG1 4.36Å; L229-I269 HydrophobicContact CB-CG2 4.37Å; L229-I269 HydrophobicContact CD1-CD1 4.45Å; L229-I269 HydrophobicContact CD1-CG1 4.09Å; L229-I269 CarbonylContact O-C 3Å; L229-I269 WeakPolarHBondContact O-CA 3.34Å; V247-I269 HydrophobicContact CG1-CD1 4Å; I248-I269 HydrophobicContact CD1-CG2 4.23Å; I248-I269 HydrophobicContact CG1-CD1 3.89Å; I248-I269 HydrophobicContact CG1-CG2 4.23Å; L251-I269 HydrophobicContact CD1-CD1 3.95Å; F267-I269 HydrophobicContact CB-CD1 4.45Å; F267-I269 HydrophobicContact CB-CG1 4.41Å; I269-P271 HydrophobicContact CG2-CG 4.31Å; I269-P271 WeakPolarHBondContact O-CD 3.36Å
270	V	98.9	Very high	98.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	98.4	169.3	179.9	0	0	0	0	108	L198 L207 L209 F228 L229 T230 A231 M272 L273 V310	L198-V270 HydrophobicContact CD2-CG2 4.16Å; L207-V270 HydrophobicContact CD1-CG1 3.67Å; L207-V270 HydrophobicContact CG-CG1 4.24Å; L209-V270 HydrophobicContact CD1-CG2 3.95Å; F228-V270 HydrophobicContact CE1-CG2 4.09Å; F228-V270 HydrophobicContact CZ-CG2 4.21Å; L229-V270 PolarHBondContact O-N 3.46Å; T230-V270 HydrophobicContact CG2-CB 4.29Å; A231-V270 PolarHBondContact N-O 2.9Å; V270-M272 VanDerWaalsContact C-N 3.26Å; V270-M272 PolarHBondContact O-N 3.03Å; V270-L273 HydrophobicContact CG1-CD1 4.04Å; V270-V310 HydrophobicContact CG1-CG2 4.29Å; V270-V310 HydrophobicContact CG2-CG2 3.91Å
271	P	98.8	Very high	98.2	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.032	8%	0.076	C	C	.	.	S	Bend	trans	-71.4	-18.3	-168.4	-19.2	32.5	0	0	0	114.7	L178 L182 D208 L210 I248 I269	L178-P271 HydrophobicContact CD1-CB 3.8Å; L178-P271 HydrophobicContact CD1-CG 4.44Å; L178-P271 HydrophobicContact CD2-CB 4.08Å; L182-P271 HydrophobicContact CD1-CG 4.49Å; D208-P271 WeakPolarHBondContact O-CD 3.5Å; L210-P271 HydrophobicContact CD1-CG 4.12Å; L210-P271 HydrophobicContact CG-CG 4.35Å; I248-P271 HydrophobicContact CD1-CB 4.34Å; I248-P271 HydrophobicContact CD1-CG 4Å; I269-P271 HydrophobicContact CG2-CG 4.31Å; I269-P271 WeakPolarHBondContact O-CD 3.36Å
272	M	98.9	Very high	98.2	Very high	7 Å²	7	16 Å²	16	3%	0.034	8%	0.075	C	C	.	.			trans	-154.1	99.6	-177.8	-177.2	176.6	-70.4	0	0	110.9	Y173 Y175 L178 L207 A231 R232 V270 P275 V278	Y173-M272 HydrophobicContact CD1-CE 4.31Å; Y175-M272 HydrophobicContact CD2-SD 3.75Å; Y175-M272 HydrophobicContact CG-SD 4.34Å; L178-M272 HydrophobicContact CB-CE 4.19Å; L178-M272 HydrophobicContact CD2-CB 3.44Å; L178-M272 VanDerWaalsContact CD2-CB 3.44Å; L178-M272 HydrophobicContact CD2-CE 3.96Å; L178-M272 HydrophobicContact CD2-CG 4.36Å; L178-M272 HydrophobicContact CD2-SD 4.05Å; L207-M272 WeakPolarHBondContact CD1-O 3.32Å; A231-M272 WeakPolarHBondContact O-CA 3.4Å; R232-M272 HydrophobicContact CB-CB 4.42Å; R232-M272 HydrophobicContact CB-CG 4.28Å; V270-M272 VanDerWaalsContact C-N 3.26Å; V270-M272 PolarHBondContact O-N 3.03Å; M272-P275 HydrophobicContact SD-CB 4.32Å; M272-V278 HydrophobicContact CE-CB 4.5Å; M272-V278 HydrophobicContact CE-CG1 3.98Å; M272-V278 HydrophobicContact CE-CG2 3.93Å; M272-V278 HydrophobicContact CG-CG2 3.69Å; M272-V278 HydrophobicContact SD-CB 3.98Å; M272-V278 HydrophobicContact SD-CG1 4.03Å; M272-V278 HydrophobicContact SD-CG2 3.35Å; M272-V278 WeakPolarHBondContact SD-CG2 3.44Å
273	L	98.7	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-75.8	-22.5	-176.3	-164.3	62.5	0	0	0	113.5	L207 A231 V233 V270 P275 W296 T306 L307 V310	L207-L273 HydrophobicContact CD1-CD1 4.32Å; A231-L273 PolarHBondContact O-N 3.47Å; V233-L273 HydrophobicContact CB-CB 4.22Å; V233-L273 HydrophobicContact CB-CD2 3.89Å; V233-L273 HydrophobicContact CG2-CD2 3.8Å; V270-L273 HydrophobicContact CG1-CD1 4.04Å; L273-P275 VanDerWaalsContact C-CD 3.46Å; L273-P275 WeakPolarHBondContact O-CD 3.44Å; L273-W296 HydrophobicContact CD2-CZ2 4.31Å; L273-T306 VanDerWaalsContact O-CB 3.27Å; L273-T306 WeakPolarHBondContact O-CB 3.5Å; L273-T306 PolarHBondContact O-OG1 2.92Å; L273-L307 HydrophobicContact CD2-CD1 4Å; L273-V310 HydrophobicContact CD1-CB 4.17Å; L273-V310 HydrophobicContact CD1-CG2 3.52Å
274	N	98.8	Very high	98.3	Very high	5 Å²	5	14.3 Å²	14.3	3%	0.027	6%	0.064	C	C	.	.			trans	-125	64.4	-176.6	-166.2	-11.5	0	0	0	112.9	R232 V233 P235 D276 G277 V278 S286 L292	R232-N274 PolarHBondContact O-N 3.12Å; V233-N274 VanDerWaalsContact O-CB 3.23Å; V233-N274 WeakPolarHBondContact O-CB 3.29Å; V233-N274 PolarHBondContact O-ND2 3.05Å; P235-N274 WeakPolarHBondContact CD-ND2 3.46Å; P235-N274 HydrophobicContact CG-CB 4.14Å; P235-N274 WeakPolarHBondContact CG-ND2 3.04Å; N274-D276 VanDerWaalsContact C-N 3.28Å; N274-D276 PolarHBondContact O-N 2.95Å; N274-G277 PolarHBondContact O-N 3.21Å; N274-G277 PolarHBondContact OD1-N 3.09Å; N274-G277 VanDerWaalsContact OD1-N 3.08Å; N274-V278 WeakPolarHBondContact O-CG2 3.24Å; N274-V278 PolarHBondContact O-N 3.42Å; N274-V278 VanDerWaalsContact O-N 3.14Å; N274-S286 PolarHBondContact ND2-N 3.38Å; N274-L292 HydrophobicContact CB-CD1 3.88Å
275	P	98.8	Very high	98.5	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-60.5	-33.3	-176.6	26.9	-36.5	0	0	0	113.3	Y175 R205 M272 L273 V278 Y279 T306	Y175-P275 HydrophobicContact CD2-CB 3.51Å; Y175-P275 HydrophobicContact CE2-CB 3.67Å; Y175-P275 HydrophobicContact CG-CB 4.34Å; R205-P275 HydrophobicContact CB-CB 3.95Å; R205-P275 HydrophobicContact CB-CG 4.08Å; M272-P275 HydrophobicContact SD-CB 4.32Å; L273-P275 VanDerWaalsContact C-CD 3.46Å; L273-P275 WeakPolarHBondContact O-CD 3.44Å; P275-V278 WeakPolarHBondContact O-CB 3.27Å; P275-V278 PolarHBondContact O-N 3.12Å; P275-Y279 PolarHBondContact O-N 3.37Å; P275-T306 HydrophobicContact CG-CG2 4.48Å
276	D	98.8	Very high	98.5	Very high	5 Å²	5	11.8 Å²	11.8	3%	0.027	5%	0.053	C	C	.	.	H	α-helix	trans	-69.1	-49.2	-180	-65.9	-12.2	0	0	0	111.9	S201 V202 Q203 R205 N274 V278 Y279 L280 L287	S201-D276 VanDerWaalsContact CB-CG 3.46Å; S201-D276 VanDerWaalsContact CB-OD1 3.29Å; S201-D276 WeakPolarHBondContact CB-OD1 3.33Å; S201-D276 WeakPolarHBondContact CB-OD2 3.28Å; S201-D276 PolarHBondContact OG-OD1 3.11Å; S201-D276 PolarHBondContact OG-OD2 3.4Å; S201-D276 VanDerWaalsContact OG-OD2 3.08Å; V202-D276 PolarHBondContact N-OD2 3.05Å; Q203-D276 HydrophobicContact CG-CB 4.49Å; Q203-D276 PolarHBondContact N-OD2 3.25Å; R205-D276 IonicContact CZ-OD1 3.87Å; R205-D276 IonicContact NH1-OD1 3.44Å; R205-D276 PolarHBondContact NH1-OD1 3.48Å; N274-D276 VanDerWaalsContact C-N 3.28Å; N274-D276 PolarHBondContact O-N 2.95Å; D276-V278 PolarHBondContact O-N 3.44Å; D276-Y279 PolarHBondContact O-N 2.84Å; D276-Y279 VanDerWaalsContact O-N 3.15Å; D276-L280 WeakPolarHBondContact O-CD1 3.4Å; D276-L280 VanDerWaalsContact O-CG 3.24Å; D276-L280 WeakPolarHBondContact O-CG 3.42Å; D276-L280 PolarHBondContact O-N 2.59Å; D276-L287 HydrophobicContact CB-CB 4.07Å
277	G	98.6	Very high	98.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.4	-32.3	176.4	0	0	0	0	0	112.1	P235 N274 G281 N282	P235-G277 WeakPolarHBondContact CB-O 3.12Å; N274-G277 PolarHBondContact O-N 3.21Å; N274-G277 PolarHBondContact OD1-N 3.09Å; N274-G277 VanDerWaalsContact OD1-N 3.08Å; G277-G281 PolarHBondContact O-N 3.45Å; G277-N282 PolarHBondContact O-N 3.41Å
278	V	98.8	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.5	-53	173.2	179.4	0	0	0	0	110.8	S56 R232 M272 N274 P275 D276 L280 G281	S56-V278 WeakPolarHBondContact CA-O 3.47Å; S56-V278 WeakPolarHBondContact CB-O 3.4Å; S56-V278 PolarHBondContact OG-O 2.9Å; R232-V278 VanDerWaalsContact CZ-CG2 3.41Å; M272-V278 HydrophobicContact CE-CB 4.5Å; M272-V278 HydrophobicContact CE-CG1 3.98Å; M272-V278 HydrophobicContact CE-CG2 3.93Å; M272-V278 HydrophobicContact CG-CG2 3.69Å; M272-V278 HydrophobicContact SD-CB 3.98Å; M272-V278 HydrophobicContact SD-CG1 4.03Å; M272-V278 HydrophobicContact SD-CG2 3.35Å; M272-V278 WeakPolarHBondContact SD-CG2 3.44Å; N274-V278 WeakPolarHBondContact O-CG2 3.24Å; N274-V278 PolarHBondContact O-N 3.42Å; N274-V278 VanDerWaalsContact O-N 3.14Å; P275-V278 WeakPolarHBondContact O-CB 3.27Å; P275-V278 PolarHBondContact O-N 3.12Å; D276-V278 PolarHBondContact O-N 3.44Å; V278-L280 VanDerWaalsContact C-N 3.26Å; V278-L280 PolarHBondContact O-N 2.66Å; V278-G281 PolarHBondContact O-N 3.11Å
279	Y	98.6	Very high	98.2	Very high	101 Å²	101	15.2 Å²	15.2	40%	0.396	7%	0.073	S	C	.	.	H	α-helix	trans	-62.1	-38.8	-175.2	-172.7	-84.7	0	0	0	111.5	E55 S56 R205 P275 D276 G281	E55-Y279 HydrophobicContact CB-CD2 4.38Å; E55-Y279 HydrophobicContact CB-CE2 4.31Å; E55-Y279 HydrophobicContact CG-CD2 3.66Å; E55-Y279 HydrophobicContact CG-CE2 4.04Å; E55-Y279 HydrophobicContact CG-CG 4.2Å; S56-Y279 PolarHBondContact N-O 2.86Å; R205-Y279 VanDerWaalsContact CZ-CB 3.46Å; R205-Y279 VanDerWaalsContact NH2-CE1 3.31Å; P275-Y279 PolarHBondContact O-N 3.37Å; D276-Y279 PolarHBondContact O-N 2.84Å; D276-Y279 VanDerWaalsContact O-N 3.15Å; Y279-G281 VanDerWaalsContact C-N 3.28Å; Y279-G281 PolarHBondContact O-N 3.28Å
280	L	98.2	Very high	98.1	Very high	39 Å²	39	19.1 Å²	19.1	20%	0.204	9%	0.09	C	C	.	.	H	α-helix	trans	-75.5	-12	-179.3	-63.6	164.2	0	0	0	113.9	R75 D276 V278 L287	R75-L280 PolarHBondContact NH2-O 2.99Å; D276-L280 WeakPolarHBondContact O-CD1 3.4Å; D276-L280 VanDerWaalsContact O-CG 3.24Å; D276-L280 WeakPolarHBondContact O-CG 3.42Å; D276-L280 PolarHBondContact O-N 2.59Å; V278-L280 VanDerWaalsContact C-N 3.26Å; V278-L280 PolarHBondContact O-N 2.66Å; L280-L287 HydrophobicContact CD1-CB 4.14Å; L280-L287 HydrophobicContact CD1-CD1 3.49Å; L280-L287 VanDerWaalsContact CD1-CD1 3.49Å; L280-L287 HydrophobicContact CD1-CG 4.4Å
281	G	98.3	Very high	98	Very high	1 Å²	1	20 Å²	20	1%	0.01	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	33.4	-173.5	0	0	0	0	0	113.2	N58 W86 G277 V278 Y279	N58-G281 WeakPolarHBondContact CB-O 3.45Å; N58-G281 PolarHBondContact ND2-O 3.29Å; W86-G281 VanDerWaalsContact CD1-O 3.3Å; G277-G281 PolarHBondContact O-N 3.45Å; V278-G281 PolarHBondContact O-N 3.11Å; Y279-G281 VanDerWaalsContact C-N 3.28Å; Y279-G281 PolarHBondContact O-N 3.28Å
282	N	98.4	Very high	97.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.			trans	-71.5	164.7	168.6	-71.5	-1.7	0	0	0	110.5	R75 D77 T78 P235 G236 G277 C285 S286	R75-N282 PolarHBondContact NH2-OD1 2.87Å; D77-N282 HydrophobicContact CB-CB 4.4Å; D77-N282 WeakPolarHBondContact OD1-CA 3.36Å; T78-N282 PolarHBondContact N-OD1 3.25Å; T78-N282 PolarHBondContact OG1-OD1 3.28Å; P235-N282 CarbonylContact C-O 3.49Å; P235-N282 HydrophobicContact CB-CB 4.07Å; P235-N282 VanDerWaalsContact CB-O 3.32Å; P235-N282 WeakPolarHBondContact CB-O 2.99Å; P235-N282 HydrophobicContact CG-CB 4.22Å; G236-N282 PolarHBondContact N-O 3.17Å; G277-N282 PolarHBondContact O-N 3.41Å; N282-C285 PolarHBondContact ND2-O 2.83Å; N282-S286 PolarHBondContact ND2-O 2.74Å
283	Y	97.8	Very high	97.9	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.008	9%	0.093	C	C	.	.	S	Bend	trans	-98.8	-41.5	171.8	172.5	-108.5	0	0	0	113	D77 V85 W86 K109 P235 G236 F408	D77-Y283 PolarHBondContact OD1-N 3.02Å; D77-Y283 PolarHBondContact OD2-N 3.25Å; V85-Y283 HydrophobicContact CB-CD1 3.82Å; V85-Y283 HydrophobicContact CB-CD2 3.61Å; V85-Y283 HydrophobicContact CB-CE1 4.16Å; V85-Y283 HydrophobicContact CB-CE2 4.02Å; V85-Y283 HydrophobicContact CB-CG 3.57Å; V85-Y283 HydrophobicContact CG1-CD2 3.83Å; V85-Y283 HydrophobicContact CG1-CE2 3.8Å; V85-Y283 HydrophobicContact CG1-CG 4.29Å; V85-Y283 HydrophobicContact CG2-CD1 3.67Å; V85-Y283 HydrophobicContact CG2-CD2 4.35Å; V85-Y283 HydrophobicContact CG2-CE1 3.84Å; V85-Y283 HydrophobicContact CG2-CG 3.99Å; W86-Y283 HydrophobicContact CB-CD2 4.32Å; K109-Y283 VanDerWaalsContact CE-OH 3.29Å; K109-Y283 WeakPolarHBondContact CE-OH 3.38Å; K109-Y283 PolarHBondContact NZ-OH 3.03Å; P235-Y283 CarbonylContact C-O 3.58Å; G236-Y283 WeakPolarHBondContact CA-O 3.39Å; G236-Y283 VanDerWaalsContact N-C 3.32Å; G236-Y283 PolarHBondContact N-O 2.91Å; Y283-F408 HydrophobicContact CE2-CZ 4.31Å
284	R	97.8	Very high	97.8	Very high	32 Å²	32	23.2 Å²	23.2	12%	0.121	11%	0.106	C	C	.	.	S	Bend	trans	-130.6	-38.3	-168.4	-163.4	175.4	-176	67	22.6	113.9	D77 F83 H234 P235 D291	D77-R284 WeakPolarHBondContact OD2-CA 3.47Å; D77-R284 PolarHBondContact OD2-N 3.15Å; F83-R284 HydrophobicContact CB-CB 4.38Å; F83-R284 HydrophobicContact CD1-CB 4.19Å; F83-R284 HydrophobicContact CD2-CB 4.06Å; F83-R284 HydrophobicContact CE2-CB 4.45Å; F83-R284 HydrophobicContact CG-CB 3.93Å; F83-R284 HydrophobicContact CZ-CG 4.49Å; H234-R284 PolarHBondContact CE1-NH1 3.01Å; H234-R284 PolarHBondContact CE1-NH2 2.84Å; H234-R284 VanDerWaalsContact CE1-NH2 3.25Å; H234-R284 PolarHBondContact NE2-NH2 2.84Å; P235-R284 VanDerWaalsContact CD-C 3.45Å; P235-R284 WeakPolarHBondContact CD-O 3.15Å; R284-D291 IonicContact CZ-OD2 3.78Å; R284-D291 IonicContact NE-OD2 3.82Å; R284-D291 PolarHBondContact NE-OD2 3.26Å; R284-D291 IonicContact NH2-OD1 3.76Å; R284-D291 IonicContact NH2-OD2 3.17Å; R284-D291 PolarHBondContact NH2-OD2 2.91Å
285	C	97.9	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.117	C	C	.	.			trans	-96.7	155.8	-167.2	-67.9	0	0	0	0	113.8	D77 N80 F83 P235 N282 G289 F290	D77-C285 HydrophobicContact CB-CB 4.14Å; D77-C285 PolarHBondContact OD2-N 3.16Å; N80-C285 HydrophobicContact CB-CB 4.42Å; N80-C285 PolarHBondContact ND2-SG 3.05Å; N80-C285 VanDerWaalsContact ND2-SG 3.45Å; F83-C285 VanDerWaalsContact CD2-SG 3.52Å; P235-C285 WeakPolarHBondContact CG-O 3.26Å; N282-C285 PolarHBondContact ND2-O 2.83Å; C285-G289 PolarHBondContact SG-O 3.38Å; C285-F290 CarbonylContact C-O 3.56Å; C285-F290 VanDerWaalsContact CA-O 3.26Å; C285-F290 WeakPolarHBondContact CA-O 3.29Å
286	S	97.6	Very high	97.6	Very high	8 Å²	8	25.5 Å²	25.5	6%	0.056	12%	0.117	C	C	.	.			trans	-65.1	178.2	164.6	70.7	0	0	0	0	111.9	N274 N282 M288 G289 F290	N274-S286 PolarHBondContact ND2-N 3.38Å; N282-S286 PolarHBondContact ND2-O 2.74Å; S286-M288 PolarHBondContact O-N 2.68Å; S286-M288 PolarHBondContact OG-N 3.2Å; S286-G289 PolarHBondContact O-N 2.72Å; S286-G289 VanDerWaalsContact O-N 3.08Å; S286-F290 PolarHBondContact N-O 3.32Å; S286-F290 PolarHBondContact OG-N 3.39Å
287	L	96.3	Very high	97.4	Very high	25 Å²	25	31.8 Å²	31.8	13%	0.131	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-39.6	172.5	171.7	65.6	0	0	0	112.1	T78 V202 Q203 D276 L280 G289	T78-L287 HydrophobicContact CG2-CD1 4.07Å; V202-L287 HydrophobicContact CB-CD2 4.03Å; V202-L287 HydrophobicContact CG1-CD2 3.63Å; Q203-L287 HydrophobicContact CG-CD2 3.34Å; Q203-L287 HydrophobicContact CG-CG 4.43Å; D276-L287 HydrophobicContact CB-CB 4.07Å; L280-L287 HydrophobicContact CD1-CB 4.14Å; L280-L287 HydrophobicContact CD1-CD1 3.49Å; L280-L287 VanDerWaalsContact CD1-CD1 3.49Å; L280-L287 HydrophobicContact CD1-CG 4.4Å; L287-G289 PolarHBondContact O-N 3.43Å
288	M	96.1	Very high	97.2	Very high	82 Å²	82	38.2 Å²	38.2	40%	0.404	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	7	-177.2	-62.7	-72.4	98.9	0	0	113.3	V202 S286 F290	V202-M288 HydrophobicContact CG1-CE 4.44Å; S286-M288 PolarHBondContact O-N 2.68Å; S286-M288 PolarHBondContact OG-N 3.2Å; M288-F290 HydrophobicContact CB-CD2 3.61Å; M288-F290 HydrophobicContact CB-CE2 3.7Å
289	G	96.7	Very high	97.1	Very high	7 Å²	7	38.4 Å²	38.4	7%	0.072	18%	0.182	C	C	.	.	S	Bend	trans	83.9	5.4	177.5	0	0	0	0	0	115.5	T78 N80 C285 S286 L287	T78-G289 VanDerWaalsContact O-CA 3.26Å; T78-G289 WeakPolarHBondContact O-CA 3.45Å; T78-G289 PolarHBondContact O-N 3.16Å; N80-G289 PolarHBondContact ND2-O 3.09Å; C285-G289 PolarHBondContact SG-O 3.38Å; S286-G289 PolarHBondContact O-N 2.72Å; S286-G289 VanDerWaalsContact O-N 3.08Å; L287-G289 PolarHBondContact O-N 3.43Å
290	F	97.1	Very high	97	Very high	81 Å²	81	35.7 Å²	35.7	36%	0.355	18%	0.177	S	C	.	.			trans	-87.3	136.9	-179.3	-62.5	-68.6	0	0	0	113	C285 S286 M288 L292 H295 A303 H304	C285-F290 CarbonylContact C-O 3.56Å; C285-F290 VanDerWaalsContact CA-O 3.26Å; C285-F290 WeakPolarHBondContact CA-O 3.29Å; S286-F290 PolarHBondContact N-O 3.32Å; S286-F290 PolarHBondContact OG-N 3.39Å; M288-F290 HydrophobicContact CB-CD2 3.61Å; M288-F290 HydrophobicContact CB-CE2 3.7Å; F290-L292 PolarHBondContact O-N 2.71Å; F290-H295 AromaticContact CD1-CE1 3.99Å; F290-H295 AromaticContact CD1-NE2 3.55Å; F290-A303 HydrophobicContact CD2-CB 4.46Å; F290-A303 HydrophobicContact CE2-CB 4.12Å; F290-H304 AromaticContact CD1-NE2 3.99Å; F290-H304 AromaticContact CD2-CD2 3.95Å; F290-H304 AromaticContact CD2-NE2 3.29Å; F290-H304 VanDerWaalsContact CD2-NE2 3.29Å; F290-H304 WeakPolarHBondContact CD2-NE2 3.41Å; F290-H304 AromaticContact CE2-NE2 3.96Å; F290-H304 AromaticContact CG-NE2 3.32Å; F290-H304 VanDerWaalsContact CG-NE2 3.32Å; F290-H304 WeakPolarHBondContact CG-NE2 3.43Å
291	D	97.3	Very high	96.9	Very high	18 Å²	18	37 Å²	37	10%	0.096	19%	0.188	C	C	.	.			trans	-76.7	96	164.9	179.2	-14.2	0	0	0	108.2	H234 R284 N293 R294 H295	H234-D291 IonicContact CD2-OD1 3.18Å; H234-D291 IonicContact NE2-OD1 3.48Å; H234-D291 PolarHBondContact NE2-OD1 3.21Å; H234-D291 IonicContact NE2-OD2 3.78Å; R284-D291 IonicContact CZ-OD2 3.78Å; R284-D291 IonicContact NE-OD2 3.82Å; R284-D291 PolarHBondContact NE-OD2 3.26Å; R284-D291 IonicContact NH2-OD1 3.76Å; R284-D291 IonicContact NH2-OD2 3.17Å; R284-D291 PolarHBondContact NH2-OD2 2.91Å; D291-N293 PolarHBondContact O-N 3.18Å; D291-N293 PolarHBondContact OD1-N 3.02Å; D291-N293 VanDerWaalsContact OD1-N 3.12Å; D291-R294 HydrophobicContact CB-CG 4.05Å; D291-R294 WeakPolarHBondContact O-CB 3.27Å; D291-R294 PolarHBondContact O-N 2.85Å; D291-R294 IonicContact OD1-NH1 3.81Å; D291-R294 IonicContact OD2-CZ 2.8Å; D291-R294 IonicContact OD2-NH1 2.73Å; D291-R294 PolarHBondContact OD2-NH1 3.26Å; D291-R294 IonicContact OD2-NH2 3.77Å; D291-H295 PolarHBondContact O-CD2 2.79Å; D291-H295 VanDerWaalsContact O-CD2 3.24Å
292	L	97.7	Very high	96.8	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-54.2	-30.9	-176	-66.3	-177.9	0	0	0	112.6	V233 N274 F290 R294 H295 H304 L307	V233-L292 HydrophobicContact CG2-CB 3.46Å; V233-L292 VanDerWaalsContact CG2-CB 3.46Å; V233-L292 HydrophobicContact CG2-CD1 4.34Å; N274-L292 HydrophobicContact CB-CD1 3.88Å; F290-L292 PolarHBondContact O-N 2.71Å; L292-R294 PolarHBondContact O-N 3.29Å; L292-H295 PolarHBondContact O-N 3.05Å; L292-H295 VanDerWaalsContact O-N 3.13Å; L292-H304 HydrophobicContact CD2-CB 4.07Å; L292-L307 HydrophobicContact CB-CD2 4.41Å; L292-L307 WeakPolarHBondContact O-CD2 3.32Å
293	N	97.5	Very high	96.7	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.032	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-80.2	24	176.6	-152.2	9	0	0	0	113	V233 D291 W296 D330 H332 T386 G387	V233-N293 HydrophobicContact CG1-CB 4.05Å; V233-N293 HydrophobicContact CG2-CB 4.16Å; D291-N293 PolarHBondContact O-N 3.18Å; D291-N293 PolarHBondContact OD1-N 3.02Å; D291-N293 VanDerWaalsContact OD1-N 3.12Å; N293-W296 PolarHBondContact OD1-NE1 3.02Å; N293-D330 PolarHBondContact ND2-OD2 2.75Å; N293-H332 PolarHBondContact ND2-CE1 2.8Å; N293-H332 PolarHBondContact ND2-NE2 2.81Å; N293-T386 WeakPolarHBondContact O-CA 3.14Å; N293-T386 VanDerWaalsContact O-CG2 3.29Å; N293-T386 WeakPolarHBondContact O-CG2 3.25Å; N293-T386 WeakPolarHBondContact OD1-CA 3.46Å; N293-T386 WeakPolarHBondContact OD1-CB 3.31Å; N293-G387 PolarHBondContact OD1-N 3.25Å
294	R	96.6	Very high	96.7	Very high	72 Å²	72	49 Å²	49	27%	0.272	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-121.9	-1.9	165.5	-61.2	-61.9	179.2	-68.3	-15	113.1	D291 L292 G385	D291-R294 HydrophobicContact CB-CG 4.05Å; D291-R294 WeakPolarHBondContact O-CB 3.27Å; D291-R294 PolarHBondContact O-N 2.85Å; D291-R294 IonicContact OD1-NH1 3.81Å; D291-R294 IonicContact OD2-CZ 2.8Å; D291-R294 IonicContact OD2-NH1 2.73Å; D291-R294 PolarHBondContact OD2-NH1 3.26Å; D291-R294 IonicContact OD2-NH2 3.77Å; L292-R294 PolarHBondContact O-N 3.29Å; R294-G385 CarbonylContact C-O 3.28Å; R294-G385 VanDerWaalsContact CA-O 3.32Å; R294-G385 WeakPolarHBondContact CA-O 3.2Å
295	H	96.1	Very high	96.7	Very high	54 Å²	54	48.8 Å²	48.8	25%	0.25	24%	0.241	C	C	.	.			trans	-115.3	16.8	-171.5	-69.8	-79	0	0	0	113.9	F290 D291 L292 Q297 D298 P299 H304 L307 G385	F290-H295 AromaticContact CD1-CE1 3.99Å; F290-H295 AromaticContact CD1-NE2 3.55Å; D291-H295 PolarHBondContact O-CD2 2.79Å; D291-H295 VanDerWaalsContact O-CD2 3.24Å; L292-H295 PolarHBondContact O-N 3.05Å; L292-H295 VanDerWaalsContact O-N 3.13Å; H295-Q297 PolarHBondContact O-N 3.49Å; H295-D298 CarbonylContact O-C 3.52Å; H295-D298 PolarHBondContact O-N 3.26Å; H295-P299 WeakPolarHBondContact O-CB 3.28Å; H295-P299 WeakPolarHBondContact O-CD 3.13Å; H295-H304 AromaticContact CD2-NE2 3.9Å; H295-H304 AromaticContact CG-CE1 3.63Å; H295-H304 AromaticContact CG-NE2 3.91Å; H295-H304 AromaticContact ND1-CE1 3.59Å; H295-L307 HydrophobicContact CB-CD2 3.86Å; H295-G385 PolarHBondContact N-O 2.71Å
296	W	97.1	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-64.4	-27.9	178.5	-80.6	87.9	0	0	0	113.5	L273 N293 L307 V310 K311 I314 Y328 G385 G387 F390 L391	L273-W296 HydrophobicContact CD2-CZ2 4.31Å; N293-W296 PolarHBondContact OD1-NE1 3.02Å; W296-L307 HydrophobicContact CD2-CD1 3.74Å; W296-L307 HydrophobicContact CE3-CD1 4.24Å; W296-L307 HydrophobicContact CG-CD1 4.21Å; W296-L307 HydrophobicContact CH2-CD1 4.1Å; W296-L307 HydrophobicContact CZ2-CD1 3.56Å; W296-L307 HydrophobicContact CZ3-CD1 4.41Å; W296-V310 HydrophobicContact CH2-CG1 3.91Å; W296-V310 HydrophobicContact CZ3-CG1 4.5Å; W296-K311 HydrophobicContact CE3-CB 4.44Å; W296-K311 HydrophobicContact CZ3-CB 4.27Å; W296-K311 WeakPolarHBondContact O-CD 3.26Å; W296-K311 PolarHBondContact O-NZ 3.15Å; W296-I314 HydrophobicContact CH2-CD1 4.23Å; W296-I314 HydrophobicContact CZ3-CD1 4.2Å; W296-Y328 AromaticContact CH2-CE2 3.99Å; W296-Y328 HydrophobicContact CH2-CE2 3.99Å; W296-Y328 AromaticContact CH2-CZ 3.9Å; W296-Y328 WeakPolarHBondContact CH2-OH 3.49Å; W296-Y328 HydrophobicContact CZ2-CE2 4.46Å; W296-Y328 AromaticContact CZ2-CZ 3.95Å; W296-Y328 WeakPolarHBondContact CZ2-OH 3.28Å; W296-G385 PolarHBondContact N-O 2.8Å; W296-G387 VanDerWaalsContact NE1-CA 3.26Å; W296-F390 HydrophobicContact CB-CB 3.76Å; W296-F390 HydrophobicContact CB-CD1 3.98Å; W296-F390 HydrophobicContact CB-CG 3.98Å; W296-F390 WeakPolarHBondContact O-CD1 3.44Å; W296-F390 WeakPolarHBondContact O-CE1 3.46Å; W296-L391 HydrophobicContact CE3-CD1 4.19Å; W296-L391 HydrophobicContact CE3-CD2 4.38Å; W296-L391 HydrophobicContact CE3-CG 4.19Å; W296-L391 HydrophobicContact CH2-CD1 4.17Å; W296-L391 HydrophobicContact CZ3-CD1 3.75Å; W296-L391 HydrophobicContact CZ3-CD2 4.32Å; W296-L391 HydrophobicContact CZ3-CG 4.19Å
297	Q	94.3	Very high	96.8	Very high	136 Å²	136	48.7 Å²	48.7	64%	0.636	24%	0.24	S	C	*	.	S	Bend	trans	-64.1	-45.7	-179.9	-174.2	174.7	-4	0	0	112.5	H295 K311 F390	H295-Q297 PolarHBondContact O-N 3.49Å; Q297-K311 PolarHBondContact O-NZ 2.8Å; Q297-F390 HydrophobicContact CB-CD2 4.02Å; Q297-F390 HydrophobicContact CB-CE2 4.2Å; Q297-F390 HydrophobicContact CG-CD2 4.29Å; Q297-F390 HydrophobicContact CG-CE2 4.14Å
298	D	94.7	Very high	96.9	Very high	135 Å²	135	50 Å²	50	72%	0.722	25%	0.245	S	C	*	.	S	Bend	trans	-146.7	77	-179.3	-171.5	24.1	0	0	0	111.1	H295 S300	H295-D298 CarbonylContact O-C 3.52Å; H295-D298 PolarHBondContact O-N 3.26Å; D298-S300 PolarHBondContact O-N 3.25Å
299	P	96.9	Very high	97	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.032	23%	0.233	C	C	.	.			trans	-77.1	115.7	179.4	29.9	-32.2	0	0	0	110.5	H295 H304 L307 H308 K311	H295-P299 WeakPolarHBondContact O-CB 3.28Å; H295-P299 WeakPolarHBondContact O-CD 3.13Å; P299-H304 HydrophobicContact CB-CB 4.18Å; P299-L307 HydrophobicContact CB-CB 4.25Å; P299-L307 HydrophobicContact CB-CD2 3.95Å; P299-L307 HydrophobicContact CB-CG 3.98Å; P299-H308 HydrophobicContact CB-CB 4.22Å; P299-H308 HydrophobicContact CG-CB 4.3Å; P299-H308 PolarHBondContact O-CD2 2.73Å; P299-K311 HydrophobicContact CG-CB 4.42Å; P299-K311 HydrophobicContact CG-CD 3.59Å
300	S	97.2	Very high	97.1	Very high	43 Å²	43	46.6 Å²	46.6	30%	0.301	23%	0.229	S	C	.	.			trans	-58.3	131.1	168.8	169.3	0	0	0	0	112.1	D298 W302 A303 H304	D298-S300 PolarHBondContact O-N 3.25Å; S300-W302 PolarHBondContact O-N 3.18Å; S300-W302 PolarHBondContact OG-N 3.16Å; S300-A303 PolarHBondContact OG-N 2.67Å; S300-H304 PolarHBondContact N-ND1 2.83Å; S300-H304 CarbonylContact O-C 3.52Å; S300-H304 VanDerWaalsContact O-C 3.28Å; S300-H304 VanDerWaalsContact O-CA 3.3Å; S300-H304 WeakPolarHBondContact O-CA 3.47Å; S300-H304 WeakPolarHBondContact O-CB 3.21Å; S300-H304 PolarHBondContact O-N 3.08Å
301	P	96.7	Very high	97.2	Very high	66 Å²	66	44 Å²	44	43%	0.429	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.6	175.7	27	-34.6	0	0	0	113.3	P305	P301-P305 WeakPolarHBondContact O-CA 3.31Å; P301-P305 VanDerWaalsContact O-CB 3.29Å; P301-P305 WeakPolarHBondContact O-CB 3.49Å
302	W	95.6	Very high	97.2	Very high	225 Å²	225	47.8 Å²	47.8	85%	0.852	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-42.2	179.4	-58.8	102.7	0	0	0	112.4	S300	S300-W302 PolarHBondContact O-N 3.18Å; S300-W302 PolarHBondContact OG-N 3.16Å
303	A	96.1	Very high	97.3	Very high	23 Å²	23	48.7 Å²	48.7	19%	0.19	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-29.3	-179.1	0	0	0	0	0	113.1	F290 S300	F290-A303 HydrophobicContact CD2-CB 4.46Å; F290-A303 HydrophobicContact CE2-CB 4.12Å; S300-A303 PolarHBondContact OG-N 2.67Å
304	H	97.7	Very high	97.3	Very high	9 Å²	9	48.4 Å²	48.4	4%	0.042	24%	0.238	C	C	.	.	S	Bend	trans	-130.3	47.4	-176.2	-41.4	123.5	0	0	0	111.8	F290 L292 H295 P299 S300 T306 L307 H308	F290-H304 AromaticContact CD1-NE2 3.99Å; F290-H304 AromaticContact CD2-CD2 3.95Å; F290-H304 AromaticContact CD2-NE2 3.29Å; F290-H304 VanDerWaalsContact CD2-NE2 3.29Å; F290-H304 WeakPolarHBondContact CD2-NE2 3.41Å; F290-H304 AromaticContact CE2-NE2 3.96Å; F290-H304 AromaticContact CG-NE2 3.32Å; F290-H304 VanDerWaalsContact CG-NE2 3.32Å; F290-H304 WeakPolarHBondContact CG-NE2 3.43Å; L292-H304 HydrophobicContact CD2-CB 4.07Å; H295-H304 AromaticContact CD2-NE2 3.9Å; H295-H304 AromaticContact CG-CE1 3.63Å; H295-H304 AromaticContact CG-NE2 3.91Å; H295-H304 AromaticContact ND1-CE1 3.59Å; P299-H304 HydrophobicContact CB-CB 4.18Å; S300-H304 PolarHBondContact N-ND1 2.83Å; S300-H304 CarbonylContact O-C 3.52Å; S300-H304 VanDerWaalsContact O-C 3.28Å; S300-H304 VanDerWaalsContact O-CA 3.3Å; S300-H304 WeakPolarHBondContact O-CA 3.47Å; S300-H304 WeakPolarHBondContact O-CB 3.21Å; S300-H304 PolarHBondContact O-N 3.08Å; H304-T306 PolarHBondContact O-N 3.44Å; H304-T306 VanDerWaalsContact O-N 3.12Å; H304-L307 HydrophobicContact CB-CB 4.05Å; H304-L307 HydrophobicContact CB-CD2 4.48Å; H304-L307 PolarHBondContact O-N 2.99Å; H304-L307 VanDerWaalsContact O-N 3.07Å; H304-H308 WeakPolarHBondContact O-CB 3.39Å; H304-H308 PolarHBondContact O-N 3.14Å
305	P	98.4	Very high	97.3	Very high	26 Å²	26	46.3 Å²	46.3	17%	0.169	23%	0.234	C	C	.	.	H	α-helix	trans	-56.6	-37	-170.7	22.6	-34.5	0	0	0	112.9	L200 V202 P301 A309	L200-P305 VanDerWaalsContact O-CB 3.3Å; L200-P305 WeakPolarHBondContact O-CB 3.4Å; L200-P305 WeakPolarHBondContact O-CG 3.03Å; V202-P305 HydrophobicContact CG2-CG 3.91Å; P301-P305 WeakPolarHBondContact O-CA 3.31Å; P301-P305 VanDerWaalsContact O-CB 3.29Å; P301-P305 WeakPolarHBondContact O-CB 3.49Å; P305-A309 WeakPolarHBondContact O-CB 3.45Å; P305-A309 PolarHBondContact O-N 3.13Å
306	T	98.6	Very high	97.4	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-68.5	-42.4	179.5	59.9	0	0	0	0	112.8	L207 L273 P275 H304 V310	L207-T306 HydrophobicContact CB-CG2 4.29Å; L207-T306 HydrophobicContact CD1-CG2 4.04Å; L207-T306 HydrophobicContact CD2-CG2 4.18Å; L207-T306 WeakPolarHBondContact CD2-O 3.25Å; L207-T306 HydrophobicContact CG-CG2 4.42Å; L273-T306 VanDerWaalsContact O-CB 3.27Å; L273-T306 WeakPolarHBondContact O-CB 3.5Å; L273-T306 PolarHBondContact O-OG1 2.92Å; P275-T306 HydrophobicContact CG-CG2 4.48Å; H304-T306 PolarHBondContact O-N 3.44Å; H304-T306 VanDerWaalsContact O-N 3.12Å; T306-V310 WeakPolarHBondContact O-CG2 3.5Å; T306-V310 PolarHBondContact O-N 3.1Å
307	L	98.3	Very high	97.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.9	-42.4	177.5	-172.9	64.4	0	0	0	111.2	L273 L292 H295 W296 P299 H304 V310 K311	L273-L307 HydrophobicContact CD2-CD1 4Å; L292-L307 HydrophobicContact CB-CD2 4.41Å; L292-L307 WeakPolarHBondContact O-CD2 3.32Å; H295-L307 HydrophobicContact CB-CD2 3.86Å; W296-L307 HydrophobicContact CD2-CD1 3.74Å; W296-L307 HydrophobicContact CE3-CD1 4.24Å; W296-L307 HydrophobicContact CG-CD1 4.21Å; W296-L307 HydrophobicContact CH2-CD1 4.1Å; W296-L307 HydrophobicContact CZ2-CD1 3.56Å; W296-L307 HydrophobicContact CZ3-CD1 4.41Å; P299-L307 HydrophobicContact CB-CB 4.25Å; P299-L307 HydrophobicContact CB-CD2 3.95Å; P299-L307 HydrophobicContact CB-CG 3.98Å; H304-L307 HydrophobicContact CB-CB 4.05Å; H304-L307 HydrophobicContact CB-CD2 4.48Å; H304-L307 PolarHBondContact O-N 2.99Å; H304-L307 VanDerWaalsContact O-N 3.07Å; L307-V310 PolarHBondContact O-N 2.84Å; L307-K311 WeakPolarHBondContact O-CB 3.5Å; L307-K311 PolarHBondContact O-N 2.73Å
308	H	98.6	Very high	97.3	Very high	52 Å²	52	46.5 Å²	46.5	24%	0.241	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-50.5	175.5	177.7	-90	0	0	0	111	P299 H304 V310 K311 Q312	P299-H308 HydrophobicContact CB-CB 4.22Å; P299-H308 HydrophobicContact CG-CB 4.3Å; P299-H308 PolarHBondContact O-CD2 2.73Å; H304-H308 WeakPolarHBondContact O-CB 3.39Å; H304-H308 PolarHBondContact O-N 3.14Å; H308-V310 PolarHBondContact O-N 3.15Å; H308-K311 PolarHBondContact O-N 3.31Å; H308-Q312 PolarHBondContact NE2-NE2 3.31Å; H308-Q312 WeakPolarHBondContact O-CG 3.31Å; H308-Q312 PolarHBondContact O-N 2.93Å
309	A	98.7	Very high	97.4	Very high	18 Å²	18	47 Å²	47	15%	0.149	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-43.3	-180	0	0	0	0	0	112.8	L198 L207 P305 L313	L198-A309 HydrophobicContact CG-CB 4.14Å; L207-A309 HydrophobicContact CD2-CB 4.28Å; P305-A309 WeakPolarHBondContact O-CB 3.45Å; P305-A309 PolarHBondContact O-N 3.13Å; A309-L313 PolarHBondContact O-N 3.47Å; A309-L313 VanDerWaalsContact O-N 3.09Å
310	V	98.7	Very high	97.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-44.5	176.4	171.8	0	0	0	0	111.9	L198 L207 F228 T230 V270 L273 W296 T306 L307 H308 Q312 L313 I314	L198-V310 HydrophobicContact CD2-CG2 3.62Å; L207-V310 HydrophobicContact CD2-CG2 4Å; F228-V310 HydrophobicContact CE1-CG1 3.88Å; F228-V310 HydrophobicContact CZ-CG1 4.08Å; T230-V310 HydrophobicContact CG2-CG1 4.03Å; V270-V310 HydrophobicContact CG1-CG2 4.29Å; V270-V310 HydrophobicContact CG2-CG2 3.91Å; L273-V310 HydrophobicContact CD1-CB 4.17Å; L273-V310 HydrophobicContact CD1-CG2 3.52Å; W296-V310 HydrophobicContact CH2-CG1 3.91Å; W296-V310 HydrophobicContact CZ3-CG1 4.5Å; T306-V310 WeakPolarHBondContact O-CG2 3.5Å; T306-V310 PolarHBondContact O-N 3.1Å; L307-V310 PolarHBondContact O-N 2.84Å; H308-V310 PolarHBondContact O-N 3.15Å; V310-Q312 PolarHBondContact O-N 3.49Å; V310-L313 PolarHBondContact O-N 2.79Å; V310-I314 HydrophobicContact CG1-CD1 3.75Å; V310-I314 HydrophobicContact CG1-CG1 4.41Å; V310-I314 WeakPolarHBondContact O-CG1 3.36Å; V310-I314 PolarHBondContact O-N 3.5Å
311	K	98.3	Very high	97	Very high	27 Å²	27	54 Å²	54	12%	0.117	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-47	177.4	178.5	-178.4	174	170.6	0	111.3	W296 Q297 P299 L307 H308 L313 I314 V315 F390	W296-K311 HydrophobicContact CE3-CB 4.44Å; W296-K311 HydrophobicContact CZ3-CB 4.27Å; W296-K311 WeakPolarHBondContact O-CD 3.26Å; W296-K311 PolarHBondContact O-NZ 3.15Å; Q297-K311 PolarHBondContact O-NZ 2.8Å; P299-K311 HydrophobicContact CG-CB 4.42Å; P299-K311 HydrophobicContact CG-CD 3.59Å; L307-K311 WeakPolarHBondContact O-CB 3.5Å; L307-K311 PolarHBondContact O-N 2.73Å; H308-K311 PolarHBondContact O-N 3.31Å; K311-L313 VanDerWaalsContact C-N 3.31Å; K311-L313 PolarHBondContact O-N 3.01Å; K311-I314 PolarHBondContact O-N 2.78Å; K311-V315 HydrophobicContact CG-CG2 4.36Å; K311-V315 WeakPolarHBondContact O-CG2 3.47Å; K311-V315 PolarHBondContact O-N 2.86Å; K311-F390 HydrophobicContact CD-CE1 4.24Å
312	Q	98.3	Very high	96.7	Very high	97 Å²	97	52.7 Å²	52.7	45%	0.453	27%	0.27	S	S	.	.	H	α-helix	trans	-59.2	-43.6	178.7	-69.3	-60.2	-22.2	0	0	111.4	H308 V310 I314 V315 Q316	H308-Q312 PolarHBondContact NE2-NE2 3.31Å; H308-Q312 WeakPolarHBondContact O-CG 3.31Å; H308-Q312 PolarHBondContact O-N 2.93Å; V310-Q312 PolarHBondContact O-N 3.49Å; Q312-I314 PolarHBondContact O-N 3.44Å; Q312-V315 PolarHBondContact O-N 3.46Å; Q312-Q316 VanDerWaalsContact O-CB 3.29Å; Q312-Q316 WeakPolarHBondContact O-CB 3.46Å; Q312-Q316 PolarHBondContact O-N 3.38Å
313	L	98.6	Very high	96.7	Very high	22 Å²	22	43.2 Å²	43.2	12%	0.115	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-44.7	177	-177.6	64.6	0	0	0	112.5	L198 L209 F228 A309 V310 K311 Q316 M317	L198-L313 HydrophobicContact CD1-CB 4.25Å; L198-L313 HydrophobicContact CD1-CD2 3.84Å; L198-L313 HydrophobicContact CD2-CD2 4.06Å; L209-L313 HydrophobicContact CD1-CD2 4.13Å; L209-L313 HydrophobicContact CD2-CD2 3.52Å; L209-L313 HydrophobicContact CG-CD2 4.45Å; F228-L313 HydrophobicContact CE2-CD2 3.83Å; F228-L313 HydrophobicContact CE2-CG 4.22Å; F228-L313 HydrophobicContact CZ-CD2 4.02Å; A309-L313 PolarHBondContact O-N 3.47Å; A309-L313 VanDerWaalsContact O-N 3.09Å; V310-L313 PolarHBondContact O-N 2.79Å; K311-L313 VanDerWaalsContact C-N 3.31Å; K311-L313 PolarHBondContact O-N 3.01Å; L313-Q316 PolarHBondContact O-N 2.84Å; L313-M317 HydrophobicContact CD1-CE 3.51Å; L313-M317 HydrophobicContact CD1-CG 4.46Å; L313-M317 HydrophobicContact CD1-SD 4.18Å; L313-M317 HydrophobicContact CD2-CE 4.26Å; L313-M317 HydrophobicContact CG-CE 3.88Å; L313-M317 HydrophobicContact CG-SD 4.03Å; L313-M317 WeakPolarHBondContact O-CB 3.46Å; L313-M317 VanDerWaalsContact O-CG 3.29Å; L313-M317 WeakPolarHBondContact O-CG 3.48Å; L313-M317 PolarHBondContact O-N 3.1Å
314	I	98.3	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-46.1	178.7	-71.2	170	0	0	0	110.5	F228 W296 V310 K311 Q312 M317 S318 L325 Y328 L391 L395	F228-I314 HydrophobicContact CD1-CD1 3.96Å; F228-I314 HydrophobicContact CD1-CG1 4.16Å; F228-I314 HydrophobicContact CD2-CD1 4.48Å; F228-I314 HydrophobicContact CD2-CG1 3.79Å; F228-I314 HydrophobicContact CE1-CD1 3.95Å; F228-I314 HydrophobicContact CE1-CG1 4.09Å; F228-I314 HydrophobicContact CE2-CD1 4.46Å; F228-I314 HydrophobicContact CE2-CG1 3.7Å; F228-I314 HydrophobicContact CG-CD1 4.24Å; F228-I314 HydrophobicContact CG-CG1 4.03Å; F228-I314 HydrophobicContact CZ-CD1 4.21Å; F228-I314 HydrophobicContact CZ-CG1 3.86Å; W296-I314 HydrophobicContact CH2-CD1 4.23Å; W296-I314 HydrophobicContact CZ3-CD1 4.2Å; V310-I314 HydrophobicContact CG1-CD1 3.75Å; V310-I314 HydrophobicContact CG1-CG1 4.41Å; V310-I314 WeakPolarHBondContact O-CG1 3.36Å; V310-I314 PolarHBondContact O-N 3.5Å; K311-I314 PolarHBondContact O-N 2.78Å; Q312-I314 PolarHBondContact O-N 3.44Å; I314-M317 PolarHBondContact O-N 3.46Å; I314-S318 PolarHBondContact O-N 2.9Å; I314-S318 PolarHBondContact O-OG 2.77Å; I314-L325 HydrophobicContact CG2-CD2 3.83Å; I314-Y328 HydrophobicContact CD1-CD2 3.82Å; I314-Y328 HydrophobicContact CD1-CE2 3.77Å; I314-L391 HydrophobicContact CD1-CD1 3.89Å; I314-L391 HydrophobicContact CG2-CD1 4.41Å; I314-L391 HydrophobicContact CG2-CD2 3.93Å; I314-L395 HydrophobicContact CG2-CD1 4.49Å; I314-L395 HydrophobicContact CG2-CD2 4.2Å
315	V	96.9	Very high	96.6	Very high	28 Å²	28	42.9 Å²	42.9	17%	0.17	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-42.5	178.7	171.7	0	0	0	0	111.4	K311 Q312 M317 S318 Q319 L394	K311-V315 HydrophobicContact CG-CG2 4.36Å; K311-V315 WeakPolarHBondContact O-CG2 3.47Å; K311-V315 PolarHBondContact O-N 2.86Å; Q312-V315 PolarHBondContact O-N 3.46Å; V315-M317 VanDerWaalsContact C-N 3.31Å; V315-M317 PolarHBondContact O-N 3.37Å; V315-S318 PolarHBondContact O-N 3.17Å; V315-S318 PolarHBondContact O-OG 2.97Å; V315-Q319 VanDerWaalsContact O-CG 3.27Å; V315-Q319 WeakPolarHBondContact O-CG 3.48Å; V315-Q319 PolarHBondContact O-N 2.99Å; V315-L394 HydrophobicContact CG2-CD2 3.81Å
316	Q	97.1	Very high	96.5	Very high	134 Å²	134	42.6 Å²	42.6	63%	0.626	23%	0.23	S	C	*	.	H	α-helix	trans	-60.3	-43.4	175.5	-178	-175.5	-3.8	0	0	111.2	Q312 L313 Q319 D320	Q312-Q316 VanDerWaalsContact O-CB 3.29Å; Q312-Q316 WeakPolarHBondContact O-CB 3.46Å; Q312-Q316 PolarHBondContact O-N 3.38Å; L313-Q316 PolarHBondContact O-N 2.84Å; Q316-Q319 PolarHBondContact O-N 2.65Å; Q316-D320 PolarHBondContact O-N 3.24Å
317	M	95.8	Very high	96.5	Very high	29 Å²	29	42.3 Å²	42.3	14%	0.143	23%	0.228	C	C	.	.	H	α-helix	trans	-69.5	-35.7	179.2	-74.2	175.5	172.3	0	0	112.9	L226 F228 K268 L313 I314 V315 Q319 D320	L226-M317 HydrophobicContact CD2-CB 3.88Å; L226-M317 HydrophobicContact CD2-CG 4.17Å; L226-M317 HydrophobicContact CD2-SD 3.61Å; F228-M317 HydrophobicContact CD2-SD 4.41Å; F228-M317 HydrophobicContact CE2-SD 4.32Å; K268-M317 HydrophobicContact CD-CE 3.92Å; K268-M317 HydrophobicContact CG-CE 4.08Å; K268-M317 HydrophobicContact CG-SD 4.19Å; L313-M317 HydrophobicContact CD1-CE 3.51Å; L313-M317 HydrophobicContact CD1-CG 4.46Å; L313-M317 HydrophobicContact CD1-SD 4.18Å; L313-M317 HydrophobicContact CD2-CE 4.26Å; L313-M317 HydrophobicContact CG-CE 3.88Å; L313-M317 HydrophobicContact CG-SD 4.03Å; L313-M317 WeakPolarHBondContact O-CB 3.46Å; L313-M317 VanDerWaalsContact O-CG 3.29Å; L313-M317 WeakPolarHBondContact O-CG 3.48Å; L313-M317 PolarHBondContact O-N 3.1Å; I314-M317 PolarHBondContact O-N 3.46Å; V315-M317 VanDerWaalsContact C-N 3.31Å; V315-M317 PolarHBondContact O-N 3.37Å; M317-Q319 PolarHBondContact O-N 3.45Å; M317-D320 PolarHBondContact O-N 3.42Å
318	S	94.9	Very high	96.5	Very high	31 Å²	31	42.4 Å²	42.4	22%	0.217	23%	0.228	C	C	.	.	H	α-helix	trans	-72.5	-18	177.8	68.8	0	0	0	0	113.2	I314 V315 L395	I314-S318 PolarHBondContact O-N 2.9Å; I314-S318 PolarHBondContact O-OG 2.77Å; V315-S318 PolarHBondContact O-N 3.17Å; V315-S318 PolarHBondContact O-OG 2.97Å; S318-L395 VanDerWaalsContact CB-CD2 3.47Å
319	Q	94.8	Very high	96.5	Very high	146 Å²	146	39.9 Å²	39.9	68%	0.682	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-10.1	176.5	-70.7	172.5	-7.9	0	0	112.9	V315 Q316 M317 P321	V315-Q319 VanDerWaalsContact O-CG 3.27Å; V315-Q319 WeakPolarHBondContact O-CG 3.48Å; V315-Q319 PolarHBondContact O-N 2.99Å; Q316-Q319 PolarHBondContact O-N 2.65Å; M317-Q319 PolarHBondContact O-N 3.45Å; Q319-P321 WeakPolarHBondContact O-CD 3.35Å
320	D	94	Very high	96.5	Very high	67 Å²	67	39 Å²	39	36%	0.358	21%	0.209	S	C	.	.			trans	-79.9	113.9	177.4	-176.8	-21.2	0	0	0	109.6	Q316 M317 S322 V323	Q316-D320 PolarHBondContact O-N 3.24Å; M317-D320 PolarHBondContact O-N 3.42Å; D320-S322 PolarHBondContact O-N 3.06Å; D320-S322 VanDerWaalsContact O-N 3.1Å; D320-S322 WeakPolarHBondContact OD1-CA 3.42Å; D320-S322 WeakPolarHBondContact OD1-CB 3.14Å; D320-S322 PolarHBondContact OD1-N 3.5Å; D320-S322 PolarHBondContact OD1-OG 3.12Å; D320-S322 PolarHBondContact OD2-OG 3.28Å; D320-V323 HydrophobicContact CB-CB 4.16Å; D320-V323 HydrophobicContact CB-CG2 4.05Å; D320-V323 PolarHBondContact O-N 2.87Å
321	P	91.9	Very high	96.5	Very high	128 Å²	128	39.2 Å²	39.2	83%	0.831	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-11.5	-177	29.9	-36.5	0	0	0	113.4	Q319 V323	Q319-P321 WeakPolarHBondContact O-CD 3.35Å; P321-V323 VanDerWaalsContact C-N 3.32Å
322	S	92.3	Very high	96.5	Very high	39 Å²	39	38 Å²	38	27%	0.273	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-3.1	173.6	76.2	0	0	0	0	113.2	K224 D320	K224-S322 WeakPolarHBondContact CB-O 3.22Å; K224-S322 PolarHBondContact N-O 3.39Å; D320-S322 PolarHBondContact O-N 3.06Å; D320-S322 VanDerWaalsContact O-N 3.1Å; D320-S322 WeakPolarHBondContact OD1-CA 3.42Å; D320-S322 WeakPolarHBondContact OD1-CB 3.14Å; D320-S322 PolarHBondContact OD1-N 3.5Å; D320-S322 PolarHBondContact OD1-OG 3.12Å; D320-S322 PolarHBondContact OD2-OG 3.28Å
323	V	93.9	Very high	96.5	Very high	26 Å²	26	33.5 Å²	33.5	16%	0.158	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126	-174.7	177.1	0	0	0	0	110.4	K224 L226 D320 P321	K224-V323 HydrophobicContact CB-CG2 4.44Å; K224-V323 HydrophobicContact CD-CG2 4.48Å; K224-V323 WeakPolarHBondContact O-CA 3.32Å; L226-V323 HydrophobicContact CB-CG1 3.84Å; L226-V323 HydrophobicContact CD2-CG1 3.64Å; L226-V323 HydrophobicContact CG-CG1 4.37Å; D320-V323 HydrophobicContact CB-CB 4.16Å; D320-V323 HydrophobicContact CB-CG2 4.05Å; D320-V323 PolarHBondContact O-N 2.87Å; P321-V323 VanDerWaalsContact C-N 3.32Å
324	S	94.9	Very high	96.4	Very high	16 Å²	16	34.1 Å²	34.1	11%	0.112	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	100	169.7	-176	0	0	0	0	109.2	K224 L226 E326	K224-S324 PolarHBondContact O-N 3.41Å; L226-S324 PolarHBondContact N-O 3.48Å; S324-E326 PolarHBondContact O-N 3.12Å; S324-E326 VanDerWaalsContact O-N 3.1Å
325	L	97	Very high	96.1	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	89.2	174.8	178	64.3	0	0	0	109.7	L226 F228 I314 L395 S399	L226-L325 HydrophobicContact CB-CD1 4.3Å; L226-L325 HydrophobicContact CD2-CB 4.23Å; L226-L325 HydrophobicContact CD2-CD1 3.57Å; L226-L325 HydrophobicContact CD2-CG 4.42Å; L226-L325 HydrophobicContact CG-CD1 3.68Å; F228-L325 HydrophobicContact CB-CD1 3.91Å; I314-L325 HydrophobicContact CG2-CD2 3.83Å; L325-L395 HydrophobicContact CD2-CD1 3.62Å; L325-L395 HydrophobicContact CD2-CD2 3.82Å; L325-L395 HydrophobicContact CD2-CG 4.37Å; L325-L395 HydrophobicContact CG-CD1 4.38Å; L325-S399 VanDerWaalsContact O-CB 3.26Å; L325-S399 WeakPolarHBondContact O-CB 3.39Å; L325-S399 PolarHBondContact O-OG 2.97Å
326	E	96.1	Very high	96	Very high	21 Å²	21	35.6 Å²	35.6	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-27.3	-173.8	-65.3	-174.5	-176.5	0	0	113.4	K225 L226 S324 Y400 Y442	K225-E326 WeakPolarHBondContact CD-OE1 3.46Å; K225-E326 IonicContact NZ-OE1 3.96Å; L226-E326 PolarHBondContact O-N 2.99Å; S324-E326 PolarHBondContact O-N 3.12Å; S324-E326 VanDerWaalsContact O-N 3.1Å; E326-Y400 PolarHBondContact O-N 3Å; E326-Y442 WeakPolarHBondContact OE2-CE1 3.43Å; E326-Y442 PolarHBondContact OE2-OH 2.9Å
327	F	98.2	Very high	95.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.1	-177	-71	-89.7	0	0	0	113	L226 V227 F228 F359 Y400 Y402 F438 Y441	L226-F327 PolarHBondContact O-N 3.2Å; V227-F327 HydrophobicContact CB-CB 4.38Å; V227-F327 HydrophobicContact CG1-CB 3.94Å; V227-F327 HydrophobicContact CG2-CB 4.23Å; V227-F327 HydrophobicContact CG2-CD2 4.03Å; F228-F327 PolarHBondContact N-O 2.86Å; F327-F359 HydrophobicContact CE1-CB 3.91Å; F327-F359 AromaticContact CE1-CD2 3.9Å; F327-F359 HydrophobicContact CE1-CD2 3.9Å; F327-F359 AromaticContact CE1-CG 3.9Å; F327-F359 HydrophobicContact CE1-CG 3.9Å; F327-F359 HydrophobicContact CZ-CB 4.23Å; F327-F359 AromaticContact CZ-CD2 3.9Å; F327-F359 HydrophobicContact CZ-CD2 3.9Å; F327-F359 HydrophobicContact CZ-CG 4.28Å; F327-Y400 WeakPolarHBondContact CA-O 3.38Å; F327-Y400 HydrophobicContact CE1-CD2 4.32Å; F327-Y400 HydrophobicContact CZ-CD2 4.4Å; F327-Y402 HydrophobicContact CD1-CD2 4.29Å; F327-Y402 AromaticContact CD1-CE2 3.84Å; F327-Y402 HydrophobicContact CD1-CE2 3.84Å; F327-Y402 AromaticContact CE1-CE2 3.86Å; F327-Y402 HydrophobicContact CE1-CE2 3.86Å; F327-F438 HydrophobicContact CB-CE1 4.4Å; F327-F438 HydrophobicContact CD1-CE1 4.19Å; F327-F438 HydrophobicContact CD2-CD1 4.35Å; F327-F438 AromaticContact CD2-CE1 3.79Å; F327-F438 HydrophobicContact CD2-CE1 3.79Å; F327-F438 HydrophobicContact CE1-CE1 4.39Å; F327-F438 HydrophobicContact CE2-CD1 4.23Å; F327-F438 AromaticContact CE2-CE1 3.99Å; F327-F438 HydrophobicContact CE2-CE1 3.99Å; F327-F438 AromaticContact CG-CE1 3.87Å; F327-F438 HydrophobicContact CG-CE1 3.87Å; F327-F438 HydrophobicContact CZ-CE1 4.28Å; F327-Y441 AromaticContact CE2-CD1 3.71Å; F327-Y441 HydrophobicContact CE2-CD1 3.71Å; F327-Y441 AromaticContact CE2-CE1 3.33Å; F327-Y441 HydrophobicContact CE2-CE1 3.33Å; F327-Y441 HydrophobicContact CE2-CE2 4.48Å; F327-Y441 HydrophobicContact CE2-CG 4.42Å; F327-Y441 AromaticContact CE2-CZ 3.76Å; F327-Y441 AromaticContact CZ-CD1 3.71Å; F327-Y441 HydrophobicContact CZ-CD1 3.71Å; F327-Y441 HydrophobicContact CZ-CD2 4Å; F327-Y441 AromaticContact CZ-CE1 3.4Å; F327-Y441 HydrophobicContact CZ-CE1 3.4Å; F327-Y441 VanDerWaalsContact CZ-CE1 3.4Å; F327-Y441 AromaticContact CZ-CE2 3.7Å; F327-Y441 HydrophobicContact CZ-CE2 3.7Å; F327-Y441 AromaticContact CZ-CG 4Å; F327-Y441 HydrophobicContact CZ-CG 4Å; F327-Y441 AromaticContact CZ-CZ 3.38Å
328	Y	98.7	Very high	95.9	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.8	159	171.4	-93.5	0	0	0	109	F228 T230 W296 I314 D330 L391 Y400 C401 Y402	F228-Y328 HydrophobicContact CB-CD2 4.38Å; F228-Y328 HydrophobicContact CD1-CD2 4.22Å; F228-Y328 HydrophobicContact CD1-CE2 4.4Å; F228-Y328 CarbonylContact O-C 3.59Å; F228-Y328 VanDerWaalsContact O-CA 3.31Å; F228-Y328 WeakPolarHBondContact O-CA 3.42Å; T230-Y328 HydrophobicContact CG2-CE2 3.93Å; T230-Y328 PolarHBondContact OG1-OH 3.48Å; T230-Y328 VanDerWaalsContact OG1-OH 3.06Å; W296-Y328 AromaticContact CH2-CE2 3.99Å; W296-Y328 HydrophobicContact CH2-CE2 3.99Å; W296-Y328 AromaticContact CH2-CZ 3.9Å; W296-Y328 WeakPolarHBondContact CH2-OH 3.49Å; W296-Y328 HydrophobicContact CZ2-CE2 4.46Å; W296-Y328 AromaticContact CZ2-CZ 3.95Å; W296-Y328 WeakPolarHBondContact CZ2-OH 3.28Å; I314-Y328 HydrophobicContact CD1-CD2 3.82Å; I314-Y328 HydrophobicContact CD1-CE2 3.77Å; Y328-D330 HydrophobicContact CE1-CB 3.83Å; Y328-L391 HydrophobicContact CD1-CD1 3.74Å; Y328-L391 HydrophobicContact CD2-CD1 3.53Å; Y328-L391 HydrophobicContact CE1-CD1 3.79Å; Y328-L391 HydrophobicContact CE2-CD1 3.57Å; Y328-L391 HydrophobicContact CG-CD1 3.61Å; Y328-Y400 PolarHBondContact N-O 3.42Å; Y328-C401 HydrophobicContact CD1-CB 4.31Å; Y328-C401 CarbonylContact O-C 3.58Å; Y328-C401 WeakPolarHBondContact O-CA 3.34Å; Y328-Y402 PolarHBondContact O-N 2.79Å
329	I	98.8	Very high	96.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.1	179	-55.1	-178.7	0	0	0	109.9	F228 L229 T230 V331 M342 F359 Y402 L404 F438	F228-I329 PolarHBondContact O-N 3.02Å; L229-I329 WeakPolarHBondContact CA-O 3.29Å; L229-I329 HydrophobicContact CD2-CB 4.39Å; L229-I329 HydrophobicContact CG-CB 4.32Å; T230-I329 PolarHBondContact N-O 3.12Å; I329-V331 HydrophobicContact CG2-CG2 4.34Å; I329-M342 HydrophobicContact CD1-CE 4.4Å; I329-F359 HydrophobicContact CD1-CE1 4.35Å; I329-Y402 HydrophobicContact CG1-CD2 4.27Å; I329-L404 HydrophobicContact CG2-CB 3.88Å; I329-F438 HydrophobicContact CD1-CZ 3.81Å
330	D	98.8	Very high	96.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.8	175.2	-165.2	16.6	0	0	0	110.4	T230 N293 Y328 H332 Y402 T403 L404	T230-D330 PolarHBondContact OG1-OD1 3.46Å; N293-D330 PolarHBondContact ND2-OD2 2.75Å; Y328-D330 HydrophobicContact CE1-CB 3.83Å; D330-H332 IonicContact OD1-CD2 3.42Å; D330-H332 IonicContact OD1-NE2 2.71Å; D330-H332 IonicContact OD2-CD2 2.87Å; D330-H332 IonicContact OD2-NE2 2.66Å; D330-H332 PolarHBondContact OD2-NE2 3.36Å; D330-H332 VanDerWaalsContact OD2-NE2 3.1Å; D330-Y402 PolarHBondContact N-O 2.85Å; D330-T403 CarbonylContact O-C 3.52Å; D330-T403 WeakPolarHBondContact O-CA 3.49Å; D330-L404 PolarHBondContact O-N 2.84Å
331	V	98.9	Very high	96.4	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.018	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.6	-174.4	-168.1	0	0	0	0	111.2	T230 A231 R232 A240 V243 I329 L404	T230-V331 PolarHBondContact O-N 3.03Å; A231-V331 HydrophobicContact CB-CB 4.07Å; R232-V331 PolarHBondContact N-O 3.06Å; A240-V331 HydrophobicContact CB-CB 4.31Å; A240-V331 HydrophobicContact CB-CG1 3.85Å; A240-V331 WeakPolarHBondContact CB-O 3.31Å; V243-V331 HydrophobicContact CB-CG1 4.04Å; V243-V331 HydrophobicContact CG1-CG1 3.91Å; I329-V331 HydrophobicContact CG2-CG2 4.34Å; V331-L404 WeakPolarHBondContact CA-O 3.48Å; V331-L404 HydrophobicContact CG1-CD2 4.32Å; V331-L404 HydrophobicContact CG1-CG 4.48Å; V331-L404 HydrophobicContact CG2-CB 4.5Å; V331-L404 HydrophobicContact CG2-CD2 4.33Å
332	H	98.7	Very high	96.7	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	177.5	-170.7	-87.3	-84.6	0	0	0	112.3	V233 H234 E237 N293 D330 T403 L404 E405 V406	V233-H332 WeakPolarHBondContact CG1-CE1 3.29Å; V233-H332 VanDerWaalsContact CG1-NE2 3.25Å; V233-H332 WeakPolarHBondContact CG1-NE2 3.5Å; H234-H332 AromaticContact CE1-CE1 3.27Å; H234-H332 PolarHBondContact CE1-CE1 3.07Å; H234-H332 AromaticContact CE1-ND1 3.58Å; H234-H332 AromaticContact CG-CE1 3.96Å; H234-H332 AromaticContact ND1-CE1 3.29Å; H234-H332 PolarHBondContact ND1-CE1 2.69Å; H234-H332 VanDerWaalsContact ND1-CE1 3.29Å; H234-H332 AromaticContact ND1-ND1 3.26Å; H234-H332 PolarHBondContact ND1-ND1 3.49Å; H234-H332 AromaticContact NE2-CE1 3.99Å; E237-H332 IonicContact OE2-CE1 3.95Å; E237-H332 IonicContact OE2-CG 2.86Å; E237-H332 IonicContact OE2-ND1 2.84Å; E237-H332 PolarHBondContact OE2-ND1 3.12Å; N293-H332 PolarHBondContact ND2-CE1 2.8Å; N293-H332 PolarHBondContact ND2-NE2 2.81Å; D330-H332 IonicContact OD1-CD2 3.42Å; D330-H332 IonicContact OD1-NE2 2.71Å; D330-H332 IonicContact OD2-CD2 2.87Å; D330-H332 IonicContact OD2-NE2 2.66Å; D330-H332 PolarHBondContact OD2-NE2 3.36Å; D330-H332 VanDerWaalsContact OD2-NE2 3.1Å; H332-T403 HydrophobicContact CB-CG2 4.16Å; H332-L404 PolarHBondContact N-O 3.32Å; H332-E405 WeakPolarHBondContact CB-OE2 3.29Å; H332-V406 WeakPolarHBondContact O-CG1 3.4Å; H332-V406 PolarHBondContact O-N 2.95Å
333	S	97.8	Very high	97	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.021	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.4	172.7	-49	0	0	0	0	113.8	E237 P239 A240 E405 V406	E237-S333 PolarHBondContact OE2-N 3.46Å; E237-S333 VanDerWaalsContact OE2-N 3.09Å; P239-S333 WeakPolarHBondContact CB-OG 3.46Å; P239-S333 WeakPolarHBondContact CD-OG 3.39Å; A240-S333 PolarHBondContact N-OG 3.45Å; S333-E405 VanDerWaalsContact C-OE2 3.24Å; S333-E405 PolarHBondContact N-OE2 2.91Å; S333-V406 CarbonylContact C-O 3.48Å; S333-V406 WeakPolarHBondContact CA-O 3.4Å; S333-V406 WeakPolarHBondContact CB-O 3.47Å
334	H	95.9	Very high	97.1	Very high	35 Å²	35	14.2 Å²	14.2	16%	0.162	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.5	-170.9	-154.9	-99.9	0	0	0	112.5	T336 M337 F341 E405 V406 S407 F408	H334-T336 PolarHBondContact CE1-OG1 2.92Å; H334-T336 PolarHBondContact ND1-N 3.31Å; H334-T336 PolarHBondContact ND1-OG1 3.48Å; H334-M337 WeakPolarHBondContact ND1-CB 3.33Å; H334-M337 PolarHBondContact ND1-N 2.82Å; H334-M337 VanDerWaalsContact ND1-N 3.14Å; H334-F341 HydrophobicContact CB-CE1 4.27Å; H334-F341 HydrophobicContact CB-CZ 3.93Å; H334-F341 AromaticContact CG-CZ 3.72Å; H334-F341 AromaticContact ND1-CZ 3.98Å; H334-E405 HydrophobicContact CB-CB 4.25Å; H334-E405 PolarHBondContact N-OE2 2.93Å; H334-V406 PolarHBondContact N-O 2.85Å; H334-S407 WeakPolarHBondContact O-CA 3.21Å; H334-F408 WeakPolarHBondContact O-CD2 3.4Å; H334-F408 PolarHBondContact O-N 3.35Å
335	S	93.6	Very high	97.1	Very high	4 Å²	4	13.7 Å²	13.7	3%	0.028	7%	0.069	C	C	.	.	S	Bend	trans	-93.9	-4.8	-173.5	67.9	0	0	0	0	114.7	K109 L113	K109-S335 WeakPolarHBondContact CD-OG 3.24Å; K109-S335 PolarHBondContact NZ-OG 2.96Å; L113-S335 WeakPolarHBondContact CG-O 3.28Å; L113-S335 PolarHBondContact N-O 3.35Å; L113-S335 VanDerWaalsContact N-O 3.13Å
336	T	94.4	Very high	96.9	Very high	56 Å²	56	16.9 Å²	16.9	34%	0.344	9%	0.089	S	C	.	.	S	Bend	trans	-128.1	-4.5	-174	71.6	0	0	0	0	114.3	K111 H334	K111-T336 HydrophobicContact CB-CG2 3.73Å; K111-T336 WeakPolarHBondContact O-CG2 3.47Å; H334-T336 PolarHBondContact CE1-OG1 2.92Å; H334-T336 PolarHBondContact ND1-N 3.31Å; H334-T336 PolarHBondContact ND1-OG1 3.48Å
337	M	95.4	Very high	96.6	Very high	52 Å²	52	17.2 Å²	17.2	26%	0.256	9%	0.09	S	C	.	.			trans	-127	145.5	179.4	-68.1	178.3	69.6	0	0	109.6	L113 H334 F341 N374 S407	L113-M337 WeakPolarHBondContact CD1-O 3.24Å; H334-M337 WeakPolarHBondContact ND1-CB 3.33Å; H334-M337 PolarHBondContact ND1-N 2.82Å; H334-M337 VanDerWaalsContact ND1-N 3.14Å; M337-F341 HydrophobicContact CB-CE1 3.69Å; M337-F341 HydrophobicContact CB-CZ 3.96Å; M337-F341 HydrophobicContact CE-CE1 4.34Å; M337-F341 HydrophobicContact CE-CZ 4.31Å; M337-F341 HydrophobicContact CG-CZ 4.47Å; M337-F341 HydrophobicContact SD-CE1 4.31Å; M337-F341 HydrophobicContact SD-CE2 4.31Å; M337-F341 HydrophobicContact SD-CZ 3.85Å; M337-N374 HydrophobicContact CE-CB 3.64Å; M337-S407 WeakPolarHBondContact O-CB 3.46Å; M337-S407 PolarHBondContact O-OG 2.93Å
338	L	95.8	Very high	96.1	Very high	33 Å²	33	25.8 Å²	25.8	17%	0.173	13%	0.13	C	C	.	.			trans	-81	168.4	171.7	-61.7	174.6	0	0	0	110.3	L113 Y409 G410 M412 A419	L113-L338 HydrophobicContact CD1-CD2 4.18Å; L113-L338 HydrophobicContact CD2-CD2 4.18Å; L113-L338 HydrophobicContact CD2-CG 4.33Å; L338-Y409 HydrophobicContact CD2-CD1 3.56Å; L338-Y409 HydrophobicContact CD2-CE1 4.17Å; L338-Y409 HydrophobicContact CD2-CG 4.34Å; L338-G410 WeakPolarHBondContact CA-O 3.26Å; L338-G410 WeakPolarHBondContact CD2-O 3.04Å; L338-M412 HydrophobicContact CD1-CG 3.62Å; L338-M412 HydrophobicContact CD1-SD 3.91Å; L338-A419 HydrophobicContact CD1-CB 4.11Å; L338-A419 HydrophobicContact CD2-CB 4.28Å
339	N	97.5	Very high	95.7	Very high	13 Å²	13	29.3 Å²	29.3	7%	0.07	15%	0.149	C	C	.	.	S	Bend	trans	69	170.8	177.6	-60.4	67.1	0	0	0	113.6	D369 S407 G410 M412	N339-D369 CarbonylContact C-O 3.6Å; N339-D369 WeakPolarHBondContact CA-O 3.37Å; N339-D369 VanDerWaalsContact CB-O 3.25Å; N339-D369 WeakPolarHBondContact CB-O 3.49Å; N339-D369 PolarHBondContact ND2-O 2.84Å; N339-S407 PolarHBondContact O-N 3.32Å; N339-S407 VanDerWaalsContact O-N 3.12Å; N339-G410 PolarHBondContact N-O 3.38Å; N339-M412 PolarHBondContact ND2-O 3.44Å; N339-M412 PolarHBondContact OD1-N 3.34Å
340	G	98.1	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	145.4	158.6	0	0	0	0	0	110.9	D369 F370 S371 E405	G340-D369 PolarHBondContact N-O 2.86Å; G340-F370 CarbonylContact O-C 3.54Å; G340-F370 WeakPolarHBondContact O-CA 3.32Å; G340-F370 WeakPolarHBondContact O-CD2 3.3Å; G340-S371 PolarHBondContact O-N 3.02Å; G340-E405 CarbonylContact C-O 3.56Å; G340-E405 WeakPolarHBondContact CA-O 3.43Å
341	F	98.4	Very high	94.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	167	176.6	55.4	-88	0	0	0	110.4	H334 M337 Y343 F370 N374 E405	H334-F341 HydrophobicContact CB-CE1 4.27Å; H334-F341 HydrophobicContact CB-CZ 3.93Å; H334-F341 AromaticContact CG-CZ 3.72Å; H334-F341 AromaticContact ND1-CZ 3.98Å; M337-F341 HydrophobicContact CB-CE1 3.69Å; M337-F341 HydrophobicContact CB-CZ 3.96Å; M337-F341 HydrophobicContact CE-CE1 4.34Å; M337-F341 HydrophobicContact CE-CZ 4.31Å; M337-F341 HydrophobicContact CG-CZ 4.47Å; M337-F341 HydrophobicContact SD-CE1 4.31Å; M337-F341 HydrophobicContact SD-CE2 4.31Å; M337-F341 HydrophobicContact SD-CZ 3.85Å; F341-Y343 HydrophobicContact CD2-CE2 4.48Å; F341-Y343 HydrophobicContact CE2-CE1 4.29Å; F341-Y343 AromaticContact CE2-CE2 3.76Å; F341-Y343 HydrophobicContact CE2-CE2 3.76Å; F341-Y343 AromaticContact CE2-CZ 3.61Å; F341-F370 VanDerWaalsContact CA-CE2 3.41Å; F341-N374 HydrophobicContact CB-CB 3.72Å; F341-N374 HydrophobicContact CD1-CB 4.11Å; F341-N374 HydrophobicContact CD2-CB 4.46Å; F341-N374 HydrophobicContact CG-CB 3.85Å; F341-E405 HydrophobicContact CD1-CB 4.42Å; F341-E405 HydrophobicContact CD2-CB 3.96Å; F341-E405 HydrophobicContact CD2-CG 4.43Å; F341-E405 HydrophobicContact CE1-CB 4.02Å; F341-E405 HydrophobicContact CE2-CB 3.5Å; F341-E405 HydrophobicContact CE2-CG 3.76Å; F341-E405 HydrophobicContact CG-CB 4.39Å; F341-E405 HydrophobicContact CZ-CB 3.55Å; F341-E405 HydrophobicContact CZ-CG 4.09Å; F341-E405 PolarHBondContact N-O 3.01Å; F341-E405 PolarHBondContact O-N 2.62Å
342	M	98.3	Very high	94.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	148.9	-179.2	-75.1	179.9	171.1	0	0	113.2	I329 F359 P360 L363 F370 T375 S376 Y402 T403 L404	I329-M342 HydrophobicContact CD1-CE 4.4Å; M342-F359 HydrophobicContact CE-CD1 4.08Å; M342-F359 HydrophobicContact CE-CE1 3.74Å; M342-F359 HydrophobicContact SD-CD1 4.23Å; M342-F359 HydrophobicContact SD-CE1 4.48Å; M342-P360 HydrophobicContact SD-CB 4.35Å; M342-P360 HydrophobicContact SD-CG 3.93Å; M342-L363 HydrophobicContact CE-CD2 3.91Å; M342-F370 HydrophobicContact CB-CZ 4.27Å; M342-F370 HydrophobicContact CG-CE2 3.95Å; M342-F370 HydrophobicContact CG-CZ 3.92Å; M342-F370 HydrophobicContact SD-CZ 4.35Å; M342-T375 HydrophobicContact CB-CG2 4Å; M342-T375 PolarHBondContact N-OG1 3.31Å; M342-T375 VanDerWaalsContact N-OG1 3.15Å; M342-T375 CarbonylContact O-C 3.2Å; M342-T375 WeakPolarHBondContact O-CA 3.2Å; M342-T375 WeakPolarHBondContact O-CG2 3.29Å; M342-S376 PolarHBondContact O-N 3.06Å; M342-Y402 HydrophobicContact CB-CD1 4.34Å; M342-Y402 HydrophobicContact SD-CD1 4.06Å; M342-Y402 HydrophobicContact SD-CG 4.03Å; M342-T403 CarbonylContact C-O 3.57Å; M342-T403 VanDerWaalsContact CA-O 3.29Å; M342-T403 WeakPolarHBondContact CA-O 3.38Å; M342-L404 HydrophobicContact CE-CB 4.16Å; M342-L404 HydrophobicContact CE-CD1 3.92Å; M342-L404 HydrophobicContact CE-CD2 4.4Å; M342-L404 HydrophobicContact CE-CG 4.38Å; M342-L404 HydrophobicContact CG-CB 4.38Å; M342-L404 HydrophobicContact CG-CD1 3.88Å
343	Y	97.8	Very high	93.9	Very high	52 Å²	52	45.2 Å²	45.2	20%	0.204	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130	159.7	-63.5	-61	0	0	0	110	F341 S376 R388 Y402 T403 E405	F341-Y343 HydrophobicContact CD2-CE2 4.48Å; F341-Y343 HydrophobicContact CE2-CE1 4.29Å; F341-Y343 AromaticContact CE2-CE2 3.76Å; F341-Y343 HydrophobicContact CE2-CE2 3.76Å; F341-Y343 AromaticContact CE2-CZ 3.61Å; Y343-S376 CarbonylContact C-O 3.58Å; Y343-S376 VanDerWaalsContact CA-O 3.24Å; Y343-S376 WeakPolarHBondContact CA-O 3.35Å; Y343-R388 WeakPolarHBondContact O-CD 3.34Å; Y343-Y402 CarbonylContact O-C 3.59Å; Y343-Y402 VanDerWaalsContact O-CA 3.32Å; Y343-Y402 WeakPolarHBondContact O-CA 3.15Å; Y343-T403 HydrophobicContact CD2-CG2 4.48Å; Y343-T403 PolarHBondContact N-O 2.82Å; Y343-T403 PolarHBondContact O-N 3.34Å; Y343-E405 HydrophobicContact CD2-CG 3.9Å; Y343-E405 HydrophobicContact CE2-CG 3.72Å
344	G	96.6	Very high	93.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-176.1	173.5	0	0	0	0	0	111.9	S376 F377 N378 R388	G344-S376 PolarHBondContact N-O 2.74Å; G344-F377 WeakPolarHBondContact O-CA 3.22Å; G344-N378 PolarHBondContact O-N 3.47Å; G344-N378 VanDerWaalsContact O-N 3.14Å; G344-R388 PolarHBondContact O-NH1 3.48Å
345	N	94.6	Very high	93.3	Very high	6 Å²	6	53 Å²	53	3%	0.032	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	156.2	-175.9	-62.9	-37.3	0	0	0	111.4	F347 Q356 R388 R389	N345-F347 HydrophobicContact CB-CE1 3.89Å; N345-F347 HydrophobicContact CB-CE2 4.05Å; N345-F347 HydrophobicContact CB-CZ 3.62Å; N345-Q356 PolarHBondContact O-NE2 3.23Å; N345-Q356 PolarHBondContact O-OE1 3.16Å; N345-Q356 VanDerWaalsContact O-OE1 3.07Å; N345-R388 PolarHBondContact ND2-O 3.4Å; N345-R389 WeakPolarHBondContact OD1-CD 3.2Å
346	V	92.8	Very high	93.3	Very high	74 Å²	74	53 Å²	53	45%	0.448	26%	0.258	S	S	.	.			trans	-88	127.9	166.8	176	0	0	0	0	107.5	F377 R379	V346-F377 HydrophobicContact CG2-CB 4.48Å; V346-R379 HydrophobicContact CB-CB 4.31Å
347	F	90.1	Very high	93.3	Very high	29 Å²	29	51.6 Å²	51.6	13%	0.127	25%	0.252	C	S	.	.			trans	-116.1	153.2	174.9	-57.6	-64.7	0	0	0	109.4	N345 R352 V353	N345-F347 HydrophobicContact CB-CE1 3.89Å; N345-F347 HydrophobicContact CB-CE2 4.05Å; N345-F347 HydrophobicContact CB-CZ 3.62Å; F347-R352 HydrophobicContact CB-CB 4.49Å; F347-R352 HydrophobicContact CB-CG 4.4Å; F347-R352 HydrophobicContact CD2-CB 4.49Å; F347-R352 HydrophobicContact CD2-CG 3.71Å; F347-R352 HydrophobicContact CE2-CG 4.07Å; F347-R352 HydrophobicContact CG-CG 4.02Å; F347-R352 VanDerWaalsContact CZ-CZ 3.48Å; F347-V353 HydrophobicContact CB-CG2 4.04Å; F347-V353 WeakPolarHBondContact O-CG2 3.34Å
348	E	88.4	Confident	93.3	Very high	179 Å²	179	51.1 Å²	51.1	84%	0.836	25%	0.252	S	S	*	.	S	Bend	trans	-81	-33	175.7	-65.3	179.6	-179.8	0	0	111.2	E350	E348-E350 PolarHBondContact O-N 3.15Å
349	D	89.9	Confident	93.4	Very high	76 Å²	76	49.6 Å²	49.6	41%	0.406	24%	0.244	S	C	.	.			trans	-69.9	112.9	175	178.8	54.6	0	0	0	111.5	E351 R352 V353 R355	D349-E351 VanDerWaalsContact C-N 3.28Å; D349-E351 PolarHBondContact O-N 3Å; D349-R352 HydrophobicContact CB-CB 4.03Å; D349-R352 PolarHBondContact O-N 2.97Å; D349-R352 WeakPolarHBondContact OD2-CB 3.4Å; D349-R352 PolarHBondContact OD2-N 3.37Å; D349-V353 WeakPolarHBondContact O-CG2 3.47Å; D349-V353 PolarHBondContact O-N 2.99Å; D349-R355 IonicContact OD2-NH2 3.38Å
350	E	89.4	Confident	93.4	Very high	149 Å²	149	49 Å²	49	70%	0.696	24%	0.241	S	C	*	.	H	α-helix	trans	-60.5	-38	-178.9	-69.8	-167.5	166.9	0	0	112	E348 V353 H354	E348-E350 PolarHBondContact O-N 3.15Å; E350-V353 WeakPolarHBondContact O-CB 3.31Å; E350-V353 PolarHBondContact O-N 3.41Å; E350-V353 VanDerWaalsContact O-N 3.16Å; E350-H354 PolarHBondContact O-N 2.81Å; E350-H354 PolarHBondContact O-ND1 3.35Å
351	E	88.4	Confident	93.4	Very high	118 Å²	118	55.7 Å²	55.7	55%	0.551	27%	0.266	S	S	*	.	H	α-helix	trans	-62.5	-45.5	178.7	-77.7	-66.4	133.7	0	0	111.2	D349 V353 H354 R355	D349-E351 VanDerWaalsContact C-N 3.28Å; D349-E351 PolarHBondContact O-N 3Å; E351-V353 VanDerWaalsContact C-N 3.3Å; E351-V353 PolarHBondContact O-N 2.88Å; E351-H354 PolarHBondContact O-N 2.79Å; E351-R355 WeakPolarHBondContact O-CG 3.26Å; E351-R355 PolarHBondContact O-N 3.14Å; E351-R355 IonicContact OE2-NH1 3.09Å
352	R	90	Very high	93.3	Very high	17 Å²	17	56.3 Å²	56.3	6%	0.064	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-36.4	173.3	-170.6	177.6	-175.7	-174.6	5.1	112	F347 D349 R355 Q356 D396 D397 Y400	F347-R352 HydrophobicContact CB-CB 4.49Å; F347-R352 HydrophobicContact CB-CG 4.4Å; F347-R352 HydrophobicContact CD2-CB 4.49Å; F347-R352 HydrophobicContact CD2-CG 3.71Å; F347-R352 HydrophobicContact CE2-CG 4.07Å; F347-R352 HydrophobicContact CG-CG 4.02Å; F347-R352 VanDerWaalsContact CZ-CZ 3.48Å; D349-R352 HydrophobicContact CB-CB 4.03Å; D349-R352 PolarHBondContact O-N 2.97Å; D349-R352 WeakPolarHBondContact OD2-CB 3.4Å; D349-R352 PolarHBondContact OD2-N 3.37Å; R352-R355 PolarHBondContact O-N 3.35Å; R352-Q356 PolarHBondContact O-N 3.15Å; R352-D396 PolarHBondContact NH2-O 3.38Å; R352-D397 IonicContact CZ-OD1 3.4Å; R352-D397 PolarHBondContact NE-O 3.49Å; R352-D397 IonicContact NH1-OD1 3.63Å; R352-D397 PolarHBondContact NH1-OD1 3.38Å; R352-D397 IonicContact NH2-OD1 3.57Å; R352-Y400 HydrophobicContact CG-CE1 4.19Å
353	V	89.4	Confident	93.3	Very high	54 Å²	54	56.3 Å²	56.3	33%	0.327	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-44.2	174.4	172.6	0	0	0	0	111.3	F347 D349 E350 E351 Q356 A357	F347-V353 HydrophobicContact CB-CG2 4.04Å; F347-V353 WeakPolarHBondContact O-CG2 3.34Å; D349-V353 WeakPolarHBondContact O-CG2 3.47Å; D349-V353 PolarHBondContact O-N 2.99Å; E350-V353 WeakPolarHBondContact O-CB 3.31Å; E350-V353 PolarHBondContact O-N 3.41Å; E350-V353 VanDerWaalsContact O-N 3.16Å; E351-V353 VanDerWaalsContact C-N 3.3Å; E351-V353 PolarHBondContact O-N 2.88Å; V353-Q356 WeakPolarHBondContact O-CG 3.37Å; V353-A357 PolarHBondContact O-N 2.97Å
354	H	90.1	Very high	93.3	Very high	120 Å²	120	55.9 Å²	55.9	56%	0.556	27%	0.274	S	S	*	.	H	α-helix	trans	-66.1	-46.4	176.7	-69.2	98.1	0	0	0	111.4	E350 E351 Q356 A357	E350-H354 PolarHBondContact O-N 2.81Å; E350-H354 PolarHBondContact O-ND1 3.35Å; E351-H354 PolarHBondContact O-N 2.79Å; H354-Q356 PolarHBondContact O-N 3.02Å; H354-A357 PolarHBondContact O-N 2.96Å; H354-A357 VanDerWaalsContact O-N 3.1Å
355	R	91.4	Very high	93.3	Very high	81 Å²	81	62.3 Å²	62.3	31%	0.306	30%	0.304	S	S	.	.	H	α-helix	trans	-60.7	-41.9	179.8	-67.4	-167.4	-61.4	-88.6	-2.5	112.6	D349 E351 R352 A357 V358 Y400	D349-R355 IonicContact OD2-NH2 3.38Å; E351-R355 WeakPolarHBondContact O-CG 3.26Å; E351-R355 PolarHBondContact O-N 3.14Å; E351-R355 IonicContact OE2-NH1 3.09Å; R352-R355 PolarHBondContact O-N 3.35Å; R355-A357 PolarHBondContact O-N 3.47Å; R355-V358 WeakPolarHBondContact O-CB 3.36Å; R355-V358 WeakPolarHBondContact O-CG2 3.14Å; R355-V358 PolarHBondContact O-N 3.46Å; R355-Y400 HydrophobicContact CB-CE1 4.12Å; R355-Y400 WeakPolarHBondContact CB-OH 3.46Å; R355-Y400 WeakPolarHBondContact CD-OH 3.45Å; R355-Y400 PolarHBondContact NE-OH 2.58Å
356	Q	93.2	Very high	93.4	Very high	3 Å²	3	64.3 Å²	64.3	1%	0.014	31%	0.314	C	S	.	.	H	α-helix	trans	-66.6	-21.2	177.6	72.7	169	-29	0	0	113.6	N345 R352 V353 H354 V358 P360 F377 Y400 Y402	N345-Q356 PolarHBondContact O-NE2 3.23Å; N345-Q356 PolarHBondContact O-OE1 3.16Å; N345-Q356 VanDerWaalsContact O-OE1 3.07Å; R352-Q356 PolarHBondContact O-N 3.15Å; V353-Q356 WeakPolarHBondContact O-CG 3.37Å; H354-Q356 PolarHBondContact O-N 3.02Å; Q356-V358 VanDerWaalsContact C-N 3.33Å; Q356-P360 VanDerWaalsContact O-CD 3.27Å; Q356-P360 WeakPolarHBondContact O-CD 3.25Å; Q356-F377 HydrophobicContact CB-CE1 4.37Å; Q356-F377 HydrophobicContact CG-CD1 4.11Å; Q356-F377 HydrophobicContact CG-CE1 3.68Å; Q356-F377 HydrophobicContact CG-CZ 4.28Å; Q356-Y400 HydrophobicContact CB-CD1 3.57Å; Q356-Y400 HydrophobicContact CB-CE1 3.9Å; Q356-Y400 HydrophobicContact CB-CG 4.47Å; Q356-Y402 VanDerWaalsContact C-OH 3.31Å; Q356-Y402 WeakPolarHBondContact CA-OH 3.49Å; Q356-Y402 PolarHBondContact O-OH 3.35Å
357	A	94.3	Very high	93.6	Very high	28 Å²	28	60.8 Å²	60.8	23%	0.231	29%	0.293	C	S	.	.	H	α-helix	trans	-80.5	-17.7	179.3	0	0	0	0	0	112.5	V353 H354 R355 P360 R361 F377	V353-A357 PolarHBondContact O-N 2.97Å; H354-A357 PolarHBondContact O-N 2.96Å; H354-A357 VanDerWaalsContact O-N 3.1Å; R355-A357 PolarHBondContact O-N 3.47Å; A357-P360 WeakPolarHBondContact O-CD 3.5Å; A357-R361 VanDerWaalsContact O-CB 3.28Å; A357-R361 WeakPolarHBondContact O-CB 3.31Å; A357-R361 PolarHBondContact O-N 3.05Å; A357-R361 VanDerWaalsContact O-N 3.16Å; A357-F377 HydrophobicContact CB-CZ 4.47Å
358	V	95.7	Very high	93.8	Very high	42 Å²	42	63.3 Å²	63.3	26%	0.255	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-52.4	-175.7	178.8	0	0	0	0	111.5	R355 Q356 R361 L362 Y441	R355-V358 WeakPolarHBondContact O-CB 3.36Å; R355-V358 WeakPolarHBondContact O-CG2 3.14Å; R355-V358 PolarHBondContact O-N 3.46Å; Q356-V358 VanDerWaalsContact C-N 3.33Å; V358-R361 WeakPolarHBondContact O-CB 3.37Å; V358-R361 PolarHBondContact O-N 2.92Å; V358-L362 HydrophobicContact CG1-CD1 3.79Å; V358-L362 HydrophobicContact CG1-CG 4.28Å; V358-L362 WeakPolarHBondContact O-CG 3.5Å; V358-L362 PolarHBondContact O-N 2.93Å; V358-Y441 HydrophobicContact CB-CD2 4.38Å; V358-Y441 HydrophobicContact CB-CE2 4.31Å; V358-Y441 HydrophobicContact CG1-CD2 3.95Å; V358-Y441 HydrophobicContact CG1-CE2 4.29Å
359	F	97.6	Very high	94.1	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-50	-176	-174.5	-82.8	0	0	0	113	F327 I329 M342 R361 L362 L363 V434 T437 F438 Y441	F327-F359 HydrophobicContact CE1-CB 3.91Å; F327-F359 AromaticContact CE1-CD2 3.9Å; F327-F359 HydrophobicContact CE1-CD2 3.9Å; F327-F359 AromaticContact CE1-CG 3.9Å; F327-F359 HydrophobicContact CE1-CG 3.9Å; F327-F359 HydrophobicContact CZ-CB 4.23Å; F327-F359 AromaticContact CZ-CD2 3.9Å; F327-F359 HydrophobicContact CZ-CD2 3.9Å; F327-F359 HydrophobicContact CZ-CG 4.28Å; I329-F359 HydrophobicContact CD1-CE1 4.35Å; M342-F359 HydrophobicContact CE-CD1 4.08Å; M342-F359 HydrophobicContact CE-CE1 3.74Å; M342-F359 HydrophobicContact SD-CD1 4.23Å; M342-F359 HydrophobicContact SD-CE1 4.48Å; F359-R361 VanDerWaalsContact C-N 3.25Å; F359-R361 PolarHBondContact O-N 3.13Å; F359-L362 PolarHBondContact O-N 3.06Å; F359-L363 HydrophobicContact CE1-CD2 4.3Å; F359-L363 WeakPolarHBondContact O-CB 3.35Å; F359-L363 PolarHBondContact O-N 3.15Å; F359-V434 HydrophobicContact CZ-CG1 4.32Å; F359-T437 HydrophobicContact CD2-CG2 4.05Å; F359-T437 HydrophobicContact CE1-CG2 4.43Å; F359-T437 HydrophobicContact CE2-CG2 3.75Å; F359-T437 HydrophobicContact CZ-CG2 3.96Å; F359-F438 HydrophobicContact CD2-CD1 4.21Å; F359-F438 HydrophobicContact CD2-CE1 4.16Å; F359-F438 AromaticContact CE2-CD1 3.51Å; F359-F438 HydrophobicContact CE2-CD1 3.51Å; F359-F438 HydrophobicContact CE2-CD2 4.27Å; F359-F438 AromaticContact CE2-CE1 3.47Å; F359-F438 HydrophobicContact CE2-CE1 3.47Å; F359-F438 VanDerWaalsContact CE2-CE1 3.47Å; F359-F438 HydrophobicContact CE2-CE2 4.25Å; F359-F438 AromaticContact CE2-CG 3.91Å; F359-F438 HydrophobicContact CE2-CG 3.91Å; F359-F438 AromaticContact CE2-CZ 3.86Å; F359-F438 HydrophobicContact CE2-CZ 3.86Å; F359-F438 HydrophobicContact CZ-CD1 4.32Å; F359-F438 HydrophobicContact CZ-CD2 4.46Å; F359-F438 AromaticContact CZ-CE1 3.98Å; F359-F438 HydrophobicContact CZ-CE1 3.98Å; F359-F438 HydrophobicContact CZ-CE2 4.14Å; F359-F438 AromaticContact CZ-CZ 3.88Å; F359-F438 HydrophobicContact CZ-CZ 3.88Å; F359-Y441 HydrophobicContact CB-CD2 4.05Å; F359-Y441 HydrophobicContact CB-CE2 4.41Å; F359-Y441 HydrophobicContact CD2-CD2 4.31Å; F359-Y441 HydrophobicContact CD2-CG 4.27Å
360	P	97.7	Very high	94.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-32.4	175.7	-22.1	32.4	0	0	0	113.4	M342 Q356 A357 L363 C364 F370 F372 T375 Y402	M342-P360 HydrophobicContact SD-CB 4.35Å; M342-P360 HydrophobicContact SD-CG 3.93Å; Q356-P360 VanDerWaalsContact O-CD 3.27Å; Q356-P360 WeakPolarHBondContact O-CD 3.25Å; A357-P360 WeakPolarHBondContact O-CD 3.5Å; P360-L363 PolarHBondContact O-N 3.48Å; P360-C364 WeakPolarHBondContact O-CB 3.38Å; P360-C364 PolarHBondContact O-N 2.77Å; P360-F370 HydrophobicContact CB-CE1 4.23Å; P360-F370 HydrophobicContact CB-CZ 4.2Å; P360-F370 WeakPolarHBondContact O-CE1 3.24Å; P360-F372 HydrophobicContact CB-CD2 3.98Å; P360-F372 HydrophobicContact CB-CE2 3.98Å; P360-T375 HydrophobicContact CB-CG2 3.92Å; P360-T375 HydrophobicContact CG-CG2 4.26Å; P360-Y402 HydrophobicContact CG-CE1 3.9Å
361	R	97	Very high	94.8	Very high	141 Å²	141	45.1 Å²	45.1	53%	0.532	23%	0.226	S	C	.	.	H	α-helix	trans	-66.5	-45.1	177	-175	66.3	170.2	176.2	-0.3	111.5	A357 V358 F359 C364 Q365 F372	A357-R361 VanDerWaalsContact O-CB 3.28Å; A357-R361 WeakPolarHBondContact O-CB 3.31Å; A357-R361 PolarHBondContact O-N 3.05Å; A357-R361 VanDerWaalsContact O-N 3.16Å; V358-R361 WeakPolarHBondContact O-CB 3.37Å; V358-R361 PolarHBondContact O-N 2.92Å; F359-R361 VanDerWaalsContact C-N 3.25Å; F359-R361 PolarHBondContact O-N 3.13Å; R361-C364 WeakPolarHBondContact O-CB 3.28Å; R361-C364 PolarHBondContact O-N 2.83Å; R361-Q365 PolarHBondContact O-N 3.19Å; R361-F372 HydrophobicContact CB-CD2 4.26Å; R361-F372 HydrophobicContact CB-CE2 3.86Å; R361-F372 HydrophobicContact CB-CZ 4.34Å
362	L	97.7	Very high	95.2	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-65.1	-41	175	-65.2	169.8	0	0	0	111.4	V358 F359 C364 Q365 N366 T437 D440 L444	V358-L362 HydrophobicContact CG1-CD1 3.79Å; V358-L362 HydrophobicContact CG1-CG 4.28Å; V358-L362 WeakPolarHBondContact O-CG 3.5Å; V358-L362 PolarHBondContact O-N 2.93Å; F359-L362 PolarHBondContact O-N 3.06Å; L362-C364 VanDerWaalsContact C-N 3.28Å; L362-C364 PolarHBondContact O-N 2.65Å; L362-Q365 WeakPolarHBondContact O-CB 3.23Å; L362-Q365 PolarHBondContact O-N 2.98Å; L362-N366 PolarHBondContact O-N 3.28Å; L362-T437 HydrophobicContact CB-CG2 3.6Å; L362-D440 HydrophobicContact CD1-CB 4.29Å; L362-D440 HydrophobicContact CD2-CB 4.43Å; L362-L444 HydrophobicContact CD1-CD1 3.95Å; L362-L444 HydrophobicContact CD2-CD1 3.73Å; L362-L444 HydrophobicContact CG-CD1 4.36Å
363	L	98.2	Very high	95.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-39	177.3	-177.9	55.3	0	0	0	111.4	M342 F359 P360 Q365 N366 A367 F370 N433 V434 T437	M342-L363 HydrophobicContact CE-CD2 3.91Å; F359-L363 HydrophobicContact CE1-CD2 4.3Å; F359-L363 WeakPolarHBondContact O-CB 3.35Å; F359-L363 PolarHBondContact O-N 3.15Å; P360-L363 PolarHBondContact O-N 3.48Å; L363-Q365 PolarHBondContact O-N 2.91Å; L363-N366 PolarHBondContact O-N 3.29Å; L363-N366 VanDerWaalsContact O-N 3.14Å; L363-A367 HydrophobicContact CD1-CB 3.91Å; L363-A367 HydrophobicContact CG-CB 4.47Å; L363-A367 WeakPolarHBondContact O-CB 3.47Å; L363-A367 PolarHBondContact O-N 3.25Å; L363-F370 HydrophobicContact CB-CD1 4.3Å; L363-F370 HydrophobicContact CB-CE1 4.35Å; L363-F370 HydrophobicContact CD2-CD1 4.41Å; L363-F370 HydrophobicContact CD2-CD2 3.51Å; L363-F370 HydrophobicContact CD2-CE1 4.38Å; L363-F370 HydrophobicContact CD2-CE2 3.47Å; L363-F370 VanDerWaalsContact CD2-CE2 3.47Å; L363-F370 HydrophobicContact CD2-CG 4Å; L363-F370 HydrophobicContact CD2-CZ 3.93Å; L363-F370 HydrophobicContact CG-CB 4.25Å; L363-F370 HydrophobicContact CG-CD1 4.07Å; L363-F370 HydrophobicContact CG-CD2 3.84Å; L363-F370 HydrophobicContact CG-CE1 4.37Å; L363-F370 HydrophobicContact CG-CE2 4.16Å; L363-F370 HydrophobicContact CG-CG 3.78Å; L363-F370 HydrophobicContact CG-CZ 4.41Å; L363-N433 HydrophobicContact CD1-CB 4.33Å; L363-V434 HydrophobicContact CD1-CG2 4.01Å; L363-V434 HydrophobicContact CD2-CG2 3.87Å; L363-T437 HydrophobicContact CB-CG2 4.16Å
364	C	96.9	Very high	95.7	Very high	43 Å²	43	46.6 Å²	46.6	29%	0.291	24%	0.243	S	C	.	.	H	α-helix	trans	-61.3	-29.9	174	-168.8	0	0	0	0	113.4	P360 R361 L362 F370 F372	P360-C364 WeakPolarHBondContact O-CB 3.38Å; P360-C364 PolarHBondContact O-N 2.77Å; R361-C364 WeakPolarHBondContact O-CB 3.28Å; R361-C364 PolarHBondContact O-N 2.83Å; L362-C364 VanDerWaalsContact C-N 3.28Å; L362-C364 PolarHBondContact O-N 2.65Å; C364-F370 HydrophobicContact CB-CD1 3.86Å; C364-F370 HydrophobicContact CB-CE1 4.39Å; C364-F372 HydrophobicContact CB-CB 3.83Å
365	Q	96	Very high	96	Very high	135 Å²	135	41.7 Å²	41.7	63%	0.631	22%	0.221	S	C	*	.	H	α-helix	trans	-76.8	-35.4	175	-65.3	172.2	-18.8	0	0	111.4	R361 L362 L363	R361-Q365 PolarHBondContact O-N 3.19Å; L362-Q365 WeakPolarHBondContact O-CB 3.23Å; L362-Q365 PolarHBondContact O-N 2.98Å; L363-Q365 PolarHBondContact O-N 2.91Å
366	N	96.8	Very high	96.2	Very high	47 Å²	47	40.2 Å²	40.2	25%	0.251	22%	0.223	S	C	.	.	H	α-helix	trans	-86.9	-22.1	-176.2	-73.6	-23.6	0	0	0	114.1	L362 L363 N433 T437 D440	L362-N366 PolarHBondContact O-N 3.28Å; L363-N366 PolarHBondContact O-N 3.29Å; L363-N366 VanDerWaalsContact O-N 3.14Å; N366-N433 PolarHBondContact O-ND2 2.52Å; N366-T437 PolarHBondContact ND2-OG1 3.01Å; N366-T437 VanDerWaalsContact ND2-OG1 3.07Å; N366-D440 PolarHBondContact ND2-OD2 3.33Å
367	A	96.6	Very high	96.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.			trans	-125.9	107.5	-176	0	0	0	0	0	110.7	L363 D369 F370 L430 N433	L363-A367 HydrophobicContact CD1-CB 3.91Å; L363-A367 HydrophobicContact CG-CB 4.47Å; L363-A367 WeakPolarHBondContact O-CB 3.47Å; L363-A367 PolarHBondContact O-N 3.25Å; A367-D369 PolarHBondContact O-N 2.86Å; A367-D369 VanDerWaalsContact O-N 3.17Å; A367-F370 HydrophobicContact CB-CB 3.74Å; A367-F370 WeakPolarHBondContact O-CB 3.45Å; A367-F370 PolarHBondContact O-N 2.95Å; A367-L430 HydrophobicContact CB-CD1 3.94Å; A367-N433 HydrophobicContact CB-CB 3.85Å
368	P	94.2	Very high	96.1	Very high	83 Å²	83	43.3 Å²	43.3	54%	0.539	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-17.5	-179.4	29	-35.8	0	0	0	113
369	D	95.9	Very high	95.8	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	0.6	177.4	67.4	-50.3	0	0	0	113	N339 G340 A367 Y411 Y422 L430	N339-D369 CarbonylContact C-O 3.6Å; N339-D369 WeakPolarHBondContact CA-O 3.37Å; N339-D369 VanDerWaalsContact CB-O 3.25Å; N339-D369 WeakPolarHBondContact CB-O 3.49Å; N339-D369 PolarHBondContact ND2-O 2.84Å; G340-D369 PolarHBondContact N-O 2.86Å; A367-D369 PolarHBondContact O-N 2.86Å; A367-D369 VanDerWaalsContact O-N 3.17Å; D369-Y411 HydrophobicContact CB-CD1 3.72Å; D369-Y411 HydrophobicContact CB-CD2 3.38Å; D369-Y411 HydrophobicContact CB-CE1 4.07Å; D369-Y411 HydrophobicContact CB-CE2 3.71Å; D369-Y411 HydrophobicContact CB-CG 3.37Å; D369-Y422 HydrophobicContact CB-CE1 4.38Å; D369-Y422 WeakPolarHBondContact CB-OH 3.4Å; D369-Y422 PolarHBondContact O-OH 3.45Å; D369-Y422 VanDerWaalsContact OD2-CE1 3.24Å; D369-Y422 WeakPolarHBondContact OD2-CE1 3.43Å; D369-Y422 PolarHBondContact OD2-OH 2.69Å; D369-L430 WeakPolarHBondContact OD2-CB 3.43Å
370	F	97.7	Very high	95.3	Very high	7 Å²	7	52.6 Å²	52.6	3%	0.031	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-95.1	138.8	172.6	-172.6	-91.9	0	0	0	111.6	G340 F341 M342 P360 L363 C364 A367 T375 L404 L430	G340-F370 CarbonylContact O-C 3.54Å; G340-F370 WeakPolarHBondContact O-CA 3.32Å; G340-F370 WeakPolarHBondContact O-CD2 3.3Å; F341-F370 VanDerWaalsContact CA-CE2 3.41Å; M342-F370 HydrophobicContact CB-CZ 4.27Å; M342-F370 HydrophobicContact CG-CE2 3.95Å; M342-F370 HydrophobicContact CG-CZ 3.92Å; M342-F370 HydrophobicContact SD-CZ 4.35Å; P360-F370 HydrophobicContact CB-CE1 4.23Å; P360-F370 HydrophobicContact CB-CZ 4.2Å; P360-F370 WeakPolarHBondContact O-CE1 3.24Å; L363-F370 HydrophobicContact CB-CD1 4.3Å; L363-F370 HydrophobicContact CB-CE1 4.35Å; L363-F370 HydrophobicContact CD2-CD1 4.41Å; L363-F370 HydrophobicContact CD2-CD2 3.51Å; L363-F370 HydrophobicContact CD2-CE1 4.38Å; L363-F370 HydrophobicContact CD2-CE2 3.47Å; L363-F370 VanDerWaalsContact CD2-CE2 3.47Å; L363-F370 HydrophobicContact CD2-CG 4Å; L363-F370 HydrophobicContact CD2-CZ 3.93Å; L363-F370 HydrophobicContact CG-CB 4.25Å; L363-F370 HydrophobicContact CG-CD1 4.07Å; L363-F370 HydrophobicContact CG-CD2 3.84Å; L363-F370 HydrophobicContact CG-CE1 4.37Å; L363-F370 HydrophobicContact CG-CE2 4.16Å; L363-F370 HydrophobicContact CG-CG 3.78Å; L363-F370 HydrophobicContact CG-CZ 4.41Å; C364-F370 HydrophobicContact CB-CD1 3.86Å; C364-F370 HydrophobicContact CB-CE1 4.39Å; A367-F370 HydrophobicContact CB-CB 3.74Å; A367-F370 WeakPolarHBondContact O-CB 3.45Å; A367-F370 PolarHBondContact O-N 2.95Å; F370-T375 WeakPolarHBondContact CZ-OG1 3.22Å; F370-L404 HydrophobicContact CD2-CD1 4.38Å; F370-L404 HydrophobicContact CE2-CD1 3.89Å; F370-L430 HydrophobicContact CB-CD1 4.46Å
371	S	96.6	Very high	94.8	Very high	11 Å²	11	61.6 Å²	61.6	8%	0.077	31%	0.309	C	S	.	.			trans	-115.2	108.2	-178.2	175.6	0	0	0	0	111	G340 S373 N374 T375	G340-S371 PolarHBondContact O-N 3.02Å; S371-S373 VanDerWaalsContact C-N 3.31Å; S371-S373 PolarHBondContact OG-OG 3.22Å; S371-N374 PolarHBondContact O-N 3.08Å; S371-N374 WeakPolarHBondContact OG-CB 3.4Å; S371-N374 VanDerWaalsContact OG-CG 3.3Å; S371-N374 PolarHBondContact OG-N 3.4Å; S371-N374 VanDerWaalsContact OG-N 3.09Å; S371-T375 PolarHBondContact O-N 3.27Å; S371-T375 PolarHBondContact O-OG1 2.82Å
372	F	95.8	Very high	94.3	Very high	59 Å²	59	59.8 Å²	59.8	26%	0.259	31%	0.313	S	S	.	.	S	Bend	trans	-68.1	-32.2	169.8	-169.4	-104.2	0	0	0	112	P360 R361 C364 N374 T375	P360-F372 HydrophobicContact CB-CD2 3.98Å; P360-F372 HydrophobicContact CB-CE2 3.98Å; R361-F372 HydrophobicContact CB-CD2 4.26Å; R361-F372 HydrophobicContact CB-CE2 3.86Å; R361-F372 HydrophobicContact CB-CZ 4.34Å; C364-F372 HydrophobicContact CB-CB 3.83Å; F372-N374 VanDerWaalsContact C-N 3.28Å; F372-N374 PolarHBondContact O-N 3.27Å; F372-T375 VanDerWaalsContact O-CB 3.28Å; F372-T375 WeakPolarHBondContact O-CB 3.33Å; F372-T375 PolarHBondContact O-N 2.69Å
373	S	94.6	Very high	93.9	Very high	108 Å²	108	62.7 Å²	62.7	76%	0.755	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.9	177.6	59.1	0	0	0	0	113.1	S371 T375	S371-S373 VanDerWaalsContact C-N 3.31Å; S371-S373 PolarHBondContact OG-OG 3.22Å; S373-T375 VanDerWaalsContact C-N 3.32Å
374	N	95.4	Very high	93.4	Very high	52 Å²	52	64.9 Å²	64.9	28%	0.278	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.2	173.8	-69.7	-10.2	0	0	0	112.7	M337 F341 S371 F372	M337-N374 HydrophobicContact CE-CB 3.64Å; F341-N374 HydrophobicContact CB-CB 3.72Å; F341-N374 HydrophobicContact CD1-CB 4.11Å; F341-N374 HydrophobicContact CD2-CB 4.46Å; F341-N374 HydrophobicContact CG-CB 3.85Å; S371-N374 PolarHBondContact O-N 3.08Å; S371-N374 WeakPolarHBondContact OG-CB 3.4Å; S371-N374 VanDerWaalsContact OG-CG 3.3Å; S371-N374 PolarHBondContact OG-N 3.4Å; S371-N374 VanDerWaalsContact OG-N 3.09Å; F372-N374 VanDerWaalsContact C-N 3.28Å; F372-N374 PolarHBondContact O-N 3.27Å
375	T	96.5	Very high	93	Very high	17 Å²	17	63.4 Å²	63.4	10%	0.104	34%	0.335	C	S	.	.			trans	-73.4	129.9	177.1	-66.8	0	0	0	0	109.4	M342 P360 F370 S371 F372 S373 F377	M342-T375 HydrophobicContact CB-CG2 4Å; M342-T375 PolarHBondContact N-OG1 3.31Å; M342-T375 VanDerWaalsContact N-OG1 3.15Å; M342-T375 CarbonylContact O-C 3.2Å; M342-T375 WeakPolarHBondContact O-CA 3.2Å; M342-T375 WeakPolarHBondContact O-CG2 3.29Å; P360-T375 HydrophobicContact CB-CG2 3.92Å; P360-T375 HydrophobicContact CG-CG2 4.26Å; F370-T375 WeakPolarHBondContact CZ-OG1 3.22Å; S371-T375 PolarHBondContact O-N 3.27Å; S371-T375 PolarHBondContact O-OG1 2.82Å; F372-T375 VanDerWaalsContact O-CB 3.28Å; F372-T375 WeakPolarHBondContact O-CB 3.33Å; F372-T375 PolarHBondContact O-N 2.69Å; S373-T375 VanDerWaalsContact C-N 3.32Å; T375-F377 HydrophobicContact CG2-CE2 4.21Å; T375-F377 HydrophobicContact CG2-CZ 4.2Å
376	S	95.6	Very high	93	Very high	50 Å²	50	57.3 Å²	57.3	35%	0.35	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.6	-171.8	175.7	0	0	0	0	112.4	M342 Y343 G344	M342-S376 PolarHBondContact O-N 3.06Å; Y343-S376 CarbonylContact C-O 3.58Å; Y343-S376 VanDerWaalsContact CA-O 3.24Å; Y343-S376 WeakPolarHBondContact CA-O 3.35Å; G344-S376 PolarHBondContact N-O 2.74Å
377	F	93.8	Very high	92.9	Very high	58 Å²	58	55 Å²	55	25%	0.254	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.8	175.6	-57.7	-84.3	0	0	0	108.5	G344 V346 Q356 A357 T375 Y402	G344-F377 WeakPolarHBondContact O-CA 3.22Å; V346-F377 HydrophobicContact CG2-CB 4.48Å; Q356-F377 HydrophobicContact CB-CE1 4.37Å; Q356-F377 HydrophobicContact CG-CD1 4.11Å; Q356-F377 HydrophobicContact CG-CE1 3.68Å; Q356-F377 HydrophobicContact CG-CZ 4.28Å; A357-F377 HydrophobicContact CB-CZ 4.47Å; T375-F377 HydrophobicContact CG2-CE2 4.21Å; T375-F377 HydrophobicContact CG2-CZ 4.2Å; F377-Y402 HydrophobicContact CE1-CE1 4.21Å
378	N	91.3	Very high	92.9	Very high	38 Å²	38	55.4 Å²	55.4	20%	0.203	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.4	-174.5	61.1	59.6	0	0	0	114.4	G344 R388	G344-N378 PolarHBondContact O-N 3.47Å; G344-N378 VanDerWaalsContact O-N 3.14Å; N378-R388 PolarHBondContact OD1-NH1 2.78Å; N378-R388 VanDerWaalsContact OD1-NH1 3.08Å; N378-R388 PolarHBondContact OD1-NH2 3.12Å
379	R	89.6	Confident	93	Very high	167 Å²	167	53.4 Å²	53.4	63%	0.63	28%	0.278	S	S	*	.			trans	-115.3	26.9	175.8	-146.8	177.5	79.3	-179.8	2.6	114	V346 K381 R389	V346-R379 HydrophobicContact CB-CB 4.31Å; R379-K381 PolarHBondContact O-N 3.37Å; R379-R389 VanDerWaalsContact CG-NH2 3.33Å; R379-R389 PolarHBondContact O-NH1 2.97Å; R379-R389 PolarHBondContact O-NH2 3.42Å; R379-R389 VanDerWaalsContact O-NH2 3.14Å
380	D	87.6	Confident	92.9	Very high	70 Å²	70	55.2 Å²	55.2	37%	0.374	29%	0.286	S	S	.	.			trans	-49	123.8	179.4	-178.4	-0.8	0	0	0	112.6	V382 K383 R389	D380-V382 VanDerWaalsContact C-N 3.31Å; D380-V382 PolarHBondContact O-N 3.45Å; D380-V382 PolarHBondContact OD1-N 3.17Å; D380-K383 HydrophobicContact CB-CB 4.38Å; D380-K383 HydrophobicContact CB-CG 3.97Å; D380-K383 PolarHBondContact O-N 2.79Å; D380-R389 PolarHBondContact O-NH1 2.85Å
381	K	87	Confident	92.9	Very high	190 Å²	190	54.9 Å²	54.9	83%	0.826	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-63.6	-34.7	-178.6	-66.3	-176	179.4	-178.6	0	112.2	R379 K383 A384	R379-K381 PolarHBondContact O-N 3.37Å; K381-K383 PolarHBondContact O-N 3.14Å; K381-K383 VanDerWaalsContact O-N 3.15Å; K381-A384 VanDerWaalsContact O-CB 3.31Å; K381-A384 WeakPolarHBondContact O-CB 3.31Å; K381-A384 PolarHBondContact O-N 3.14Å; K381-A384 VanDerWaalsContact O-N 3.09Å
382	V	87.6	Confident	92.7	Very high	103 Å²	103	54.6 Å²	54.6	62%	0.624	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-67.5	-17.5	-179.6	-175.3	0	0	0	0	111.6	D380	D380-V382 VanDerWaalsContact C-N 3.31Å; D380-V382 PolarHBondContact O-N 3.45Å; D380-V382 PolarHBondContact OD1-N 3.17Å
383	K	88.6	Confident	92.5	Very high	75 Å²	75	55.3 Å²	55.3	33%	0.326	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-98.3	4.1	178.1	-53.6	-60.8	-178.8	173.2	0	113.3	D380 K381 G385 T386 R389	D380-K383 HydrophobicContact CB-CB 4.38Å; D380-K383 HydrophobicContact CB-CG 3.97Å; D380-K383 PolarHBondContact O-N 2.79Å; K381-K383 PolarHBondContact O-N 3.14Å; K381-K383 VanDerWaalsContact O-N 3.15Å; K383-G385 PolarHBondContact O-N 3.02Å; K383-T386 HydrophobicContact CB-CG2 4.01Å; K383-T386 HydrophobicContact CD-CG2 4.13Å; K383-T386 WeakPolarHBondContact O-CB 3.49Å; K383-T386 WeakPolarHBondContact O-CG2 3.35Å; K383-T386 PolarHBondContact O-N 2.82Å; K383-T386 PolarHBondContact O-OG1 2.92Å; K383-T386 VanDerWaalsContact O-OG1 3.05Å; K383-R389 HydrophobicContact CB-CG 4.28Å; K383-R389 WeakPolarHBondContact O-CB 3.33Å; K383-R389 VanDerWaalsContact O-CG 3.29Å; K383-R389 WeakPolarHBondContact O-CG 3.49Å
384	A	87.6	Confident	92.5	Very high	46 Å²	46	54 Å²	54	38%	0.38	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.9	-176.8	0	0	0	0	0	113.2	K381 T386	K381-A384 VanDerWaalsContact O-CB 3.31Å; K381-A384 WeakPolarHBondContact O-CB 3.31Å; K381-A384 PolarHBondContact O-N 3.14Å; K381-A384 VanDerWaalsContact O-N 3.09Å; A384-T386 VanDerWaalsContact C-N 3.31Å; A384-T386 PolarHBondContact O-N 3.4Å
385	G	89.1	Confident	92.4	Very high	12 Å²	12	51.9 Å²	51.9	12%	0.124	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	6.3	177.9	0	0	0	0	0	115.9	R294 H295 W296 K383	R294-G385 CarbonylContact C-O 3.28Å; R294-G385 VanDerWaalsContact CA-O 3.32Å; R294-G385 WeakPolarHBondContact CA-O 3.2Å; H295-G385 PolarHBondContact N-O 2.71Å; W296-G385 PolarHBondContact N-O 2.8Å; K383-G385 PolarHBondContact O-N 3.02Å
386	T	95.6	Very high	92.1	Very high	6 Å²	6	56 Å²	56	4%	0.037	30%	0.301	C	S	.	.	S	Bend	trans	-82.7	156.3	176.8	75.1	0	0	0	0	111.3	N293 K383 A384 R388 R389 F390	N293-T386 WeakPolarHBondContact O-CA 3.14Å; N293-T386 VanDerWaalsContact O-CG2 3.29Å; N293-T386 WeakPolarHBondContact O-CG2 3.25Å; N293-T386 WeakPolarHBondContact OD1-CA 3.46Å; N293-T386 WeakPolarHBondContact OD1-CB 3.31Å; K383-T386 HydrophobicContact CB-CG2 4.01Å; K383-T386 HydrophobicContact CD-CG2 4.13Å; K383-T386 WeakPolarHBondContact O-CB 3.49Å; K383-T386 WeakPolarHBondContact O-CG2 3.35Å; K383-T386 PolarHBondContact O-N 2.82Å; K383-T386 PolarHBondContact O-OG1 2.92Å; K383-T386 VanDerWaalsContact O-OG1 3.05Å; A384-T386 VanDerWaalsContact C-N 3.31Å; A384-T386 PolarHBondContact O-N 3.4Å; T386-R388 PolarHBondContact O-N 3.05Å; T386-R389 PolarHBondContact O-N 2.72Å; T386-F390 WeakPolarHBondContact O-CB 3.5Å; T386-F390 PolarHBondContact O-N 2.74Å
387	G	95.4	Very high	91.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57.7	-49.4	-177.7	0	0	0	0	0	112.3	N293 W296 R389 F390 L391	N293-G387 PolarHBondContact OD1-N 3.25Å; W296-G387 VanDerWaalsContact NE1-CA 3.26Å; G387-R389 PolarHBondContact O-N 2.74Å; G387-R389 VanDerWaalsContact O-N 3.16Å; G387-F390 PolarHBondContact O-N 3.19Å; G387-L391 VanDerWaalsContact O-CB 3.24Å; G387-L391 WeakPolarHBondContact O-CB 3.38Å; G387-L391 WeakPolarHBondContact O-CG 3.17Å; G387-L391 PolarHBondContact O-N 3.31Å
388	R	96.1	Very high	91.5	Very high	7 Å²	7	59 Å²	59	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-47.9	-44.6	173.5	-179.3	-161.9	59.6	148.9	-5.7	113.2	Y343 G344 N345 N378 T386 G392 C401 T403	Y343-R388 WeakPolarHBondContact O-CD 3.34Å; G344-R388 PolarHBondContact O-NH1 3.48Å; N345-R388 PolarHBondContact ND2-O 3.4Å; N378-R388 PolarHBondContact OD1-NH1 2.78Å; N378-R388 VanDerWaalsContact OD1-NH1 3.08Å; N378-R388 PolarHBondContact OD1-NH2 3.12Å; T386-R388 PolarHBondContact O-N 3.05Å; R388-G392 PolarHBondContact O-N 3.09Å; R388-G392 VanDerWaalsContact O-N 3.17Å; R388-C401 HydrophobicContact CG-CB 4.34Å; R388-C401 WeakPolarHBondContact CG-O 3.45Å; R388-C401 VanDerWaalsContact O-CB 3.31Å; R388-C401 WeakPolarHBondContact O-CB 3.18Å; R388-T403 WeakPolarHBondContact CB-OG1 3.38Å
389	R	95.3	Very high	91.6	Very high	42 Å²	42	57.4 Å²	57.4	16%	0.158	31%	0.311	C	S	.	.	H	α-helix	trans	-85.2	-42.8	-171.7	-78.6	-65.6	-65.5	-80.8	-3.3	113.2	N345 R379 D380 K383 T386 G387 G393	N345-R389 WeakPolarHBondContact OD1-CD 3.2Å; R379-R389 VanDerWaalsContact CG-NH2 3.33Å; R379-R389 PolarHBondContact O-NH1 2.97Å; R379-R389 PolarHBondContact O-NH2 3.42Å; R379-R389 VanDerWaalsContact O-NH2 3.14Å; D380-R389 PolarHBondContact O-NH1 2.85Å; K383-R389 HydrophobicContact CB-CG 4.28Å; K383-R389 WeakPolarHBondContact O-CB 3.33Å; K383-R389 VanDerWaalsContact O-CG 3.29Å; K383-R389 WeakPolarHBondContact O-CG 3.49Å; T386-R389 PolarHBondContact O-N 2.72Å; G387-R389 PolarHBondContact O-N 2.74Å; G387-R389 VanDerWaalsContact O-N 3.16Å; R389-G393 PolarHBondContact O-N 2.93Å
390	F	95.2	Very high	91.9	Very high	41 Å²	41	49.8 Å²	49.8	18%	0.18	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-51.3	177.2	176.3	-99.6	0	0	0	110.6	W296 Q297 K311 T386 G387 G392 G393 L394	W296-F390 HydrophobicContact CB-CB 3.76Å; W296-F390 HydrophobicContact CB-CD1 3.98Å; W296-F390 HydrophobicContact CB-CG 3.98Å; W296-F390 WeakPolarHBondContact O-CD1 3.44Å; W296-F390 WeakPolarHBondContact O-CE1 3.46Å; Q297-F390 HydrophobicContact CB-CD2 4.02Å; Q297-F390 HydrophobicContact CB-CE2 4.2Å; Q297-F390 HydrophobicContact CG-CD2 4.29Å; Q297-F390 HydrophobicContact CG-CE2 4.14Å; K311-F390 HydrophobicContact CD-CE1 4.24Å; T386-F390 WeakPolarHBondContact O-CB 3.5Å; T386-F390 PolarHBondContact O-N 2.74Å; G387-F390 PolarHBondContact O-N 3.19Å; F390-G392 VanDerWaalsContact C-N 3.34Å; F390-G392 PolarHBondContact O-N 3.04Å; F390-G393 PolarHBondContact O-N 3.49Å; F390-L394 HydrophobicContact CE1-CD2 3.67Å; F390-L394 HydrophobicContact CZ-CD2 3.97Å; F390-L394 PolarHBondContact O-N 3.29Å
391	L	96.3	Very high	92.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-36.2	179.8	-64.2	175.7	0	0	0	111.9	W296 I314 Y328 G387 G393 L394 L395	W296-L391 HydrophobicContact CE3-CD1 4.19Å; W296-L391 HydrophobicContact CE3-CD2 4.38Å; W296-L391 HydrophobicContact CE3-CG 4.19Å; W296-L391 HydrophobicContact CH2-CD1 4.17Å; W296-L391 HydrophobicContact CZ3-CD1 3.75Å; W296-L391 HydrophobicContact CZ3-CD2 4.32Å; W296-L391 HydrophobicContact CZ3-CG 4.19Å; I314-L391 HydrophobicContact CD1-CD1 3.89Å; I314-L391 HydrophobicContact CG2-CD1 4.41Å; I314-L391 HydrophobicContact CG2-CD2 3.93Å; Y328-L391 HydrophobicContact CD1-CD1 3.74Å; Y328-L391 HydrophobicContact CD2-CD1 3.53Å; Y328-L391 HydrophobicContact CE1-CD1 3.79Å; Y328-L391 HydrophobicContact CE2-CD1 3.57Å; Y328-L391 HydrophobicContact CG-CD1 3.61Å; G387-L391 VanDerWaalsContact O-CB 3.24Å; G387-L391 WeakPolarHBondContact O-CB 3.38Å; G387-L391 WeakPolarHBondContact O-CG 3.17Å; G387-L391 PolarHBondContact O-N 3.31Å; L391-G393 PolarHBondContact O-N 3.33Å; L391-G393 VanDerWaalsContact O-N 3.16Å; L391-L394 HydrophobicContact CD2-CD2 4.36Å; L391-L394 PolarHBondContact O-N 3.12Å; L391-L395 HydrophobicContact CB-CD1 4.03Å; L391-L395 HydrophobicContact CB-CG 4.3Å; L391-L395 WeakPolarHBondContact O-CB 3.44Å; L391-L395 WeakPolarHBondContact O-CG 3.25Å; L391-L395 PolarHBondContact O-N 3.13Å
392	G	93.7	Very high	93	Very high	6 Å²	6	37.5 Å²	37.5	6%	0.062	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-15.4	177.1	0	0	0	0	0	115.2	R388 F390 C401	R388-G392 PolarHBondContact O-N 3.09Å; R388-G392 VanDerWaalsContact O-N 3.17Å; F390-G392 VanDerWaalsContact C-N 3.34Å; F390-G392 PolarHBondContact O-N 3.04Å; G392-C401 PolarHBondContact N-SG 3.42Å
393	G	91.8	Very high	93.5	Very high	73 Å²	73	33 Å²	33	75%	0.753	20%	0.198	S	C	*	.	H	α-helix	trans	-102.6	-8.2	170.3	0	0	0	0	0	114.1	R389 F390 L391	R389-G393 PolarHBondContact O-N 2.93Å; F390-G393 PolarHBondContact O-N 3.49Å; L391-G393 PolarHBondContact O-N 3.33Å; L391-G393 VanDerWaalsContact O-N 3.16Å
394	L	93.6	Very high	94	Very high	80 Å²	80	29.5 Å²	29.5	42%	0.419	18%	0.183	S	C	.	.	H	α-helix	trans	-100.2	-39.3	179.8	179.4	65	0	0	0	112.2	V315 F390 L391	V315-L394 HydrophobicContact CG2-CD2 3.81Å; F390-L394 HydrophobicContact CE1-CD2 3.67Å; F390-L394 HydrophobicContact CZ-CD2 3.97Å; F390-L394 PolarHBondContact O-N 3.29Å; L391-L394 HydrophobicContact CD2-CD2 4.36Å; L391-L394 PolarHBondContact O-N 3.12Å
395	L	94.1	Very high	94.5	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.042	17%	0.169	C	C	.	.	S	Bend	trans	-83.4	158.4	-177.8	-60.3	178.8	0	0	0	111.3	I314 S318 L325 L391	I314-L395 HydrophobicContact CG2-CD1 4.49Å; I314-L395 HydrophobicContact CG2-CD2 4.2Å; S318-L395 VanDerWaalsContact CB-CD2 3.47Å; L325-L395 HydrophobicContact CD2-CD1 3.62Å; L325-L395 HydrophobicContact CD2-CD2 3.82Å; L325-L395 HydrophobicContact CD2-CG 4.37Å; L325-L395 HydrophobicContact CG-CD1 4.38Å; L391-L395 HydrophobicContact CB-CD1 4.03Å; L391-L395 HydrophobicContact CB-CG 4.3Å; L391-L395 WeakPolarHBondContact O-CB 3.44Å; L391-L395 WeakPolarHBondContact O-CG 3.25Å; L391-L395 PolarHBondContact O-N 3.13Å
396	D	88.8	Confident	94.9	Very high	104 Å²	104	27.7 Å²	27.7	56%	0.556	16%	0.163	S	C	*	.			trans	-60.5	164.6	-176.8	-62.4	-6	0	0	0	113.1	R352 T398 S399	R352-D396 PolarHBondContact NH2-O 3.38Å; D396-T398 PolarHBondContact O-N 2.69Å; D396-S399 WeakPolarHBondContact O-CB 3.4Å; D396-S399 PolarHBondContact O-N 3.28Å
397	D	88.4	Confident	95.1	Very high	98 Å²	98	27.4 Å²	27.4	52%	0.524	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-11	-175.5	-71.2	-19	0	0	0	114.5	R352	R352-D397 IonicContact CZ-OD1 3.4Å; R352-D397 PolarHBondContact NE-O 3.49Å; R352-D397 IonicContact NH1-OD1 3.63Å; R352-D397 PolarHBondContact NH1-OD1 3.38Å; R352-D397 IonicContact NH2-OD1 3.57Å
398	T	88.4	Confident	95.2	Very high	74 Å²	74	27.4 Å²	27.4	45%	0.454	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-10.9	172.9	55.5	0	0	0	0	113	D396 Y400	D396-T398 PolarHBondContact O-N 2.69Å; T398-Y400 WeakPolarHBondContact O-CE2 3.5Å
399	S	94.8	Very high	95.2	Very high	4 Å²	4	28 Å²	28	3%	0.028	16%	0.164	C	C	.	.			trans	-89.4	120.6	178.5	-55.1	0	0	0	0	112.1	L325 D396	L325-S399 VanDerWaalsContact O-CB 3.26Å; L325-S399 WeakPolarHBondContact O-CB 3.39Å; L325-S399 PolarHBondContact O-OG 2.97Å; D396-S399 WeakPolarHBondContact O-CB 3.4Å; D396-S399 PolarHBondContact O-N 3.28Å
400	Y	95.9	Very high	95.2	Very high	7 Å²	7	26 Å²	26	3%	0.027	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.8	176.1	-55.6	-65.6	0	0	0	111.5	E326 F327 Y328 R352 R355 Q356 T398 Y402 Y441	E326-Y400 PolarHBondContact O-N 3Å; F327-Y400 WeakPolarHBondContact CA-O 3.38Å; F327-Y400 HydrophobicContact CE1-CD2 4.32Å; F327-Y400 HydrophobicContact CZ-CD2 4.4Å; Y328-Y400 PolarHBondContact N-O 3.42Å; R352-Y400 HydrophobicContact CG-CE1 4.19Å; R355-Y400 HydrophobicContact CB-CE1 4.12Å; R355-Y400 WeakPolarHBondContact CB-OH 3.46Å; R355-Y400 WeakPolarHBondContact CD-OH 3.45Å; R355-Y400 PolarHBondContact NE-OH 2.58Å; Q356-Y400 HydrophobicContact CB-CD1 3.57Å; Q356-Y400 HydrophobicContact CB-CE1 3.9Å; Q356-Y400 HydrophobicContact CB-CG 4.47Å; T398-Y400 WeakPolarHBondContact O-CE2 3.5Å; Y400-Y402 VanDerWaalsContact CB-CE2 3.43Å; Y400-Y441 WeakPolarHBondContact CE2-OH 3.45Å
401	C	97.6	Very high	95.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.2	179.8	-65.5	0	0	0	0	110.6	Y328 R388 G392	Y328-C401 HydrophobicContact CD1-CB 4.31Å; Y328-C401 CarbonylContact O-C 3.58Å; Y328-C401 WeakPolarHBondContact O-CA 3.34Å; R388-C401 HydrophobicContact CG-CB 4.34Å; R388-C401 WeakPolarHBondContact CG-O 3.45Å; R388-C401 VanDerWaalsContact O-CB 3.31Å; R388-C401 WeakPolarHBondContact O-CB 3.18Å; G392-C401 PolarHBondContact N-SG 3.42Å
402	Y	98.4	Very high	95.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.2	178.5	-57	-81.7	0	0	0	112.4	F327 Y328 I329 D330 M342 Y343 Q356 P360 F377 Y400	F327-Y402 HydrophobicContact CD1-CD2 4.29Å; F327-Y402 AromaticContact CD1-CE2 3.84Å; F327-Y402 HydrophobicContact CD1-CE2 3.84Å; F327-Y402 AromaticContact CE1-CE2 3.86Å; F327-Y402 HydrophobicContact CE1-CE2 3.86Å; Y328-Y402 PolarHBondContact O-N 2.79Å; I329-Y402 HydrophobicContact CG1-CD2 4.27Å; D330-Y402 PolarHBondContact N-O 2.85Å; M342-Y402 HydrophobicContact CB-CD1 4.34Å; M342-Y402 HydrophobicContact SD-CD1 4.06Å; M342-Y402 HydrophobicContact SD-CG 4.03Å; Y343-Y402 CarbonylContact O-C 3.59Å; Y343-Y402 VanDerWaalsContact O-CA 3.32Å; Y343-Y402 WeakPolarHBondContact O-CA 3.15Å; Q356-Y402 VanDerWaalsContact C-OH 3.31Å; Q356-Y402 WeakPolarHBondContact CA-OH 3.49Å; Q356-Y402 PolarHBondContact O-OH 3.35Å; P360-Y402 HydrophobicContact CG-CE1 3.9Å; F377-Y402 HydrophobicContact CE1-CE1 4.21Å; Y400-Y402 VanDerWaalsContact CB-CE2 3.43Å
403	T	98.6	Very high	94.7	Very high	8 Å²	8	30.5 Å²	30.5	5%	0.049	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.1	155.9	-62.7	0	0	0	0	107.5	D330 H332 M342 Y343 R388 E405	D330-T403 CarbonylContact O-C 3.52Å; D330-T403 WeakPolarHBondContact O-CA 3.49Å; H332-T403 HydrophobicContact CB-CG2 4.16Å; M342-T403 CarbonylContact C-O 3.57Å; M342-T403 VanDerWaalsContact CA-O 3.29Å; M342-T403 WeakPolarHBondContact CA-O 3.38Å; Y343-T403 HydrophobicContact CD2-CG2 4.48Å; Y343-T403 PolarHBondContact N-O 2.82Å; Y343-T403 PolarHBondContact O-N 3.34Å; R388-T403 WeakPolarHBondContact CB-OG1 3.38Å; T403-E405 HydrophobicContact CG2-CG 4.17Å
404	L	98.8	Very high	93.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.5	172.6	174.5	60	0	0	0	108.9	V243 I329 D330 V331 H332 M342 F370 V434	V243-L404 HydrophobicContact CG1-CD2 4.15Å; I329-L404 HydrophobicContact CG2-CB 3.88Å; D330-L404 PolarHBondContact O-N 2.84Å; V331-L404 WeakPolarHBondContact CA-O 3.48Å; V331-L404 HydrophobicContact CG1-CD2 4.32Å; V331-L404 HydrophobicContact CG1-CG 4.48Å; V331-L404 HydrophobicContact CG2-CB 4.5Å; V331-L404 HydrophobicContact CG2-CD2 4.33Å; H332-L404 PolarHBondContact N-O 3.32Å; M342-L404 HydrophobicContact CE-CB 4.16Å; M342-L404 HydrophobicContact CE-CD1 3.92Å; M342-L404 HydrophobicContact CE-CD2 4.4Å; M342-L404 HydrophobicContact CE-CG 4.38Å; M342-L404 HydrophobicContact CG-CB 4.38Å; M342-L404 HydrophobicContact CG-CD1 3.88Å; F370-L404 HydrophobicContact CD2-CD1 4.38Å; F370-L404 HydrophobicContact CE2-CD1 3.89Å; L404-V434 HydrophobicContact CD2-CG2 3.83Å
405	E	98.6	Very high	92.8	Very high	21 Å²	21	35.7 Å²	35.7	10%	0.098	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.5	175.8	-69.2	-71.1	177	0	0	110.1	H332 S333 H334 G340 F341 Y343 T403	H332-E405 WeakPolarHBondContact CB-OE2 3.29Å; S333-E405 VanDerWaalsContact C-OE2 3.24Å; S333-E405 PolarHBondContact N-OE2 2.91Å; H334-E405 HydrophobicContact CB-CB 4.25Å; H334-E405 PolarHBondContact N-OE2 2.93Å; G340-E405 CarbonylContact C-O 3.56Å; G340-E405 WeakPolarHBondContact CA-O 3.43Å; F341-E405 HydrophobicContact CD1-CB 4.42Å; F341-E405 HydrophobicContact CD2-CB 3.96Å; F341-E405 HydrophobicContact CD2-CG 4.43Å; F341-E405 HydrophobicContact CE1-CB 4.02Å; F341-E405 HydrophobicContact CE2-CB 3.5Å; F341-E405 HydrophobicContact CE2-CG 3.76Å; F341-E405 HydrophobicContact CG-CB 4.39Å; F341-E405 HydrophobicContact CZ-CB 3.55Å; F341-E405 HydrophobicContact CZ-CG 4.09Å; F341-E405 PolarHBondContact N-O 3.01Å; F341-E405 PolarHBondContact O-N 2.62Å; Y343-E405 HydrophobicContact CD2-CG 3.9Å; Y343-E405 HydrophobicContact CE2-CG 3.72Å; T403-E405 HydrophobicContact CG2-CG 4.17Å
406	V	98.4	Very high	91.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.9	169.4	67.8	0	0	0	0	111.5	P239 V243 H332 S333 H334 Y422 Y427 L430	P239-V406 HydrophobicContact CB-CG1 3.76Å; V243-V406 HydrophobicContact CG2-CB 4.44Å; V243-V406 HydrophobicContact CG2-CG1 3.97Å; H332-V406 WeakPolarHBondContact O-CG1 3.4Å; H332-V406 PolarHBondContact O-N 2.95Å; S333-V406 CarbonylContact C-O 3.48Å; S333-V406 WeakPolarHBondContact CA-O 3.4Å; S333-V406 WeakPolarHBondContact CB-O 3.47Å; H334-V406 PolarHBondContact N-O 2.85Å; V406-Y422 HydrophobicContact CG2-CE1 4.45Å; V406-Y422 HydrophobicContact CG2-CE2 3.99Å; V406-Y427 HydrophobicContact CG1-CD1 4.38Å; V406-Y427 HydrophobicContact CG1-CE1 4.3Å; V406-Y427 HydrophobicContact CG2-CD1 3.8Å; V406-Y427 HydrophobicContact CG2-CE1 3.69Å; V406-L430 HydrophobicContact CB-CD2 4.15Å; V406-L430 HydrophobicContact CG2-CD2 3.66Å
407	S	98.1	Very high	91.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	138.3	179.9	-168.4	0	0	0	0	113.5	L113 H334 M337 N339 Y409 G410 Y427	L113-S407 VanDerWaalsContact CD1-OG 3.31Å; L113-S407 WeakPolarHBondContact CD1-OG 3.31Å; H334-S407 WeakPolarHBondContact O-CA 3.21Å; M337-S407 WeakPolarHBondContact O-CB 3.46Å; M337-S407 PolarHBondContact O-OG 2.93Å; N339-S407 PolarHBondContact O-N 3.32Å; N339-S407 VanDerWaalsContact O-N 3.12Å; S407-Y409 PolarHBondContact O-N 2.83Å; S407-Y409 PolarHBondContact OG-N 3.11Å; S407-G410 WeakPolarHBondContact CB-O 3.22Å; S407-G410 PolarHBondContact OG-N 2.75Å; S407-G410 PolarHBondContact OG-O 3.09Å; S407-Y427 VanDerWaalsContact O-CE1 3.3Å; S407-Y427 WeakPolarHBondContact O-CE1 3.49Å; S407-Y427 PolarHBondContact O-OH 2.98Å
408	F	97.4	Very high	91.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-66.4	-16.9	167.1	-83.9	-76.7	0	0	0	114.1	M118 R132 Y169 C170 G236 E237 P239 Y283 H334 Y427	M118-F408 HydrophobicContact CE-CB 3.76Å; M118-F408 HydrophobicContact SD-CB 4.08Å; R132-F408 PolarHBondContact NH2-O 3.32Å; Y169-F408 HydrophobicContact CD1-CD1 4.18Å; Y169-F408 HydrophobicContact CD1-CE1 4.06Å; Y169-F408 AromaticContact CE1-CD1 3.64Å; Y169-F408 HydrophobicContact CE1-CD1 3.64Å; Y169-F408 HydrophobicContact CE1-CD2 4.24Å; Y169-F408 AromaticContact CE1-CE1 3.66Å; Y169-F408 HydrophobicContact CE1-CE1 3.66Å; Y169-F408 HydrophobicContact CE1-CE2 4.27Å; Y169-F408 AromaticContact CE1-CG 3.91Å; Y169-F408 HydrophobicContact CE1-CG 3.91Å; Y169-F408 AromaticContact CE1-CZ 3.97Å; Y169-F408 HydrophobicContact CE1-CZ 3.97Å; C170-F408 HydrophobicContact CB-CD1 3.81Å; C170-F408 HydrophobicContact CB-CE1 4.23Å; G236-F408 VanDerWaalsContact O-CE1 3.31Å; G236-F408 WeakPolarHBondContact O-CE1 3.37Å; G236-F408 WeakPolarHBondContact O-CZ 3.44Å; E237-F408 HydrophobicContact CB-CZ 4.25Å; E237-F408 HydrophobicContact CG-CE2 4.17Å; E237-F408 HydrophobicContact CG-CZ 3.82Å; P239-F408 HydrophobicContact CG-CD1 3.74Å; P239-F408 HydrophobicContact CG-CE1 3.96Å; P239-F408 HydrophobicContact CG-CG 4.49Å; Y283-F408 HydrophobicContact CE2-CZ 4.31Å; H334-F408 WeakPolarHBondContact O-CD2 3.4Å; H334-F408 PolarHBondContact O-N 3.35Å; F408-Y427 PolarHBondContact O-OH 2.9Å
409	Y	96.9	Very high	91.5	Very high	18 Å²	18	34.9 Å²	34.9	7%	0.071	22%	0.223	C	C	.	.	S	Bend	trans	-106.4	-70.7	-173.8	174.9	-149.5	0	0	0	112	L113 E116 G117 M118 R132 L338 S407 A419 P421 Y422	L113-Y409 HydrophobicContact CB-CD1 4.28Å; E116-Y409 WeakPolarHBondContact O-CE1 3.43Å; E116-Y409 PolarHBondContact O-OH 2.92Å; G117-Y409 VanDerWaalsContact C-CZ 3.45Å; G117-Y409 WeakPolarHBondContact O-CE2 3.24Å; G117-Y409 PolarHBondContact O-OH 3.17Å; M118-Y409 HydrophobicContact CB-CD1 4.1Å; M118-Y409 HydrophobicContact CB-CD2 3.99Å; M118-Y409 HydrophobicContact CB-CG 3.7Å; M118-Y409 HydrophobicContact CG-CD2 4.3Å; M118-Y409 HydrophobicContact CG-CG 4.13Å; R132-Y409 PolarHBondContact NH2-O 3.26Å; L338-Y409 HydrophobicContact CD2-CD1 3.56Å; L338-Y409 HydrophobicContact CD2-CE1 4.17Å; L338-Y409 HydrophobicContact CD2-CG 4.34Å; S407-Y409 PolarHBondContact O-N 2.83Å; S407-Y409 PolarHBondContact OG-N 3.11Å; Y409-A419 HydrophobicContact CE1-CB 3.91Å; Y409-P421 HydrophobicContact CD2-CB 4.45Å; Y409-P421 HydrophobicContact CE2-CB 4.16Å; Y409-P421 HydrophobicContact CE2-CG 4.05Å; Y409-P421 CarbonylContact O-C 3.52Å; Y409-P421 WeakPolarHBondContact O-CA 3.05Å; Y409-Y422 PolarHBondContact O-N 3Å
410	G	96.2	Very high	91.5	Very high	0 Å²	0	37 Å²	37	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	-173.9	-165.5	0	0	0	0	0	112.6	L338 N339 S407 V420 Y422	L338-G410 WeakPolarHBondContact CA-O 3.26Å; L338-G410 WeakPolarHBondContact CD2-O 3.04Å; N339-G410 PolarHBondContact N-O 3.38Å; S407-G410 WeakPolarHBondContact CB-O 3.22Å; S407-G410 PolarHBondContact OG-N 2.75Å; S407-G410 PolarHBondContact OG-O 3.09Å; G410-V420 CarbonylContact C-O 3.6Å; G410-V420 WeakPolarHBondContact CA-O 3.22Å; G410-Y422 VanDerWaalsContact CA-CD2 3.4Å
411	Y	96.1	Very high	91.5	Very high	32 Å²	32	39.4 Å²	39.4	13%	0.125	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.6	179.5	66.8	-83.4	0	0	0	110.6	D369 T413 V420 Y422 I426	D369-Y411 HydrophobicContact CB-CD1 3.72Å; D369-Y411 HydrophobicContact CB-CD2 3.38Å; D369-Y411 HydrophobicContact CB-CE1 4.07Å; D369-Y411 HydrophobicContact CB-CE2 3.71Å; D369-Y411 HydrophobicContact CB-CG 3.37Å; Y411-T413 HydrophobicContact CD2-CG2 4.21Å; Y411-T413 HydrophobicContact CE2-CG2 3.67Å; Y411-V420 HydrophobicContact CD1-CB 4.18Å; Y411-V420 WeakPolarHBondContact CD1-O 3.42Å; Y411-V420 HydrophobicContact CE1-CB 3.71Å; Y411-V420 HydrophobicContact CE1-CG1 3.69Å; Y411-V420 HydrophobicContact CE2-CB 4.25Å; Y411-V420 PolarHBondContact N-O 2.8Å; Y411-V420 PolarHBondContact O-N 3.44Å; Y411-Y422 HydrophobicContact CD1-CD1 4.32Å; Y411-Y422 HydrophobicContact CD1-CD2 4.45Å; Y411-Y422 AromaticContact CD1-CE1 3.92Å; Y411-Y422 HydrophobicContact CD1-CE1 3.92Å; Y411-Y422 HydrophobicContact CD1-CE2 4.05Å; Y411-Y422 AromaticContact CD1-CZ 3.76Å; Y411-Y422 HydrophobicContact CE1-CE1 4.42Å; Y411-I426 HydrophobicContact CE1-CG2 3.86Å
412	M	93.3	Very high	91.5	Very high	66 Å²	66	39.3 Å²	39.3	33%	0.325	25%	0.251	S	S	.	.			trans	-86.4	133.7	168.3	-64.6	-61.1	-70.6	0	0	109.1	L338 N339 A419	L338-M412 HydrophobicContact CD1-CG 3.62Å; L338-M412 HydrophobicContact CD1-SD 3.91Å; N339-M412 PolarHBondContact ND2-O 3.44Å; N339-M412 PolarHBondContact OD1-N 3.34Å; M412-A419 VanDerWaalsContact SD-CA 3.59Å; M412-A419 HydrophobicContact SD-CB 3.89Å
413	T	84.1	Confident	91.5	Very high	45 Å²	45	40.7 Å²	40.7	28%	0.276	26%	0.261	S	S	.	.			trans	-83.6	160	166.3	60.8	0	0	0	0	109.4	Y411 V415 G416 V420	Y411-T413 HydrophobicContact CD2-CG2 4.21Å; Y411-T413 HydrophobicContact CE2-CG2 3.67Å; T413-V415 PolarHBondContact O-N 3.24Å; T413-G416 WeakPolarHBondContact OG1-CA 3.16Å; T413-G416 PolarHBondContact OG1-N 3.1Å; T413-V420 HydrophobicContact CG2-CG2 4.14Å
414	S	73.9	Confident	91.4	Very high	127 Å²	127	41.8 Å²	41.8	89%	0.888	27%	0.265	S	S	*	.	S	Bend	trans	-66.1	-14.9	176.2	50.3	0	0	0	0	114.2
415	V	72.9	Confident	91.4	Very high	134 Å²	134	46.1 Å²	46.1	81%	0.812	29%	0.286	S	S	*	.	S	Bend	trans	-116.7	-19.3	-172.2	-167.1	0	0	0	0	112.4	T413	T413-V415 PolarHBondContact O-N 3.24Å
416	G	73.8	Confident	91.4	Very high	31 Å²	31	47.1 Å²	47.1	32%	0.32	29%	0.291	S	S	.	.			trans	-94.7	146.4	-175.1	0	0	0	0	0	113.5	T413	T413-G416 WeakPolarHBondContact OG1-CA 3.16Å; T413-G416 PolarHBondContact OG1-N 3.1Å
417	T	78.9	Confident	91.4	Very high	148 Å²	148	47.1 Å²	47.1	91%	0.908	29%	0.291	S	S	*	.	S	Bend	trans	-89.4	-9.9	174	53.7	0	0	0	0	113.4
418	A	87.6	Confident	91.4	Very high	67 Å²	67	48.5 Å²	48.5	55%	0.554	30%	0.298	S	S	*	.	S	Bend	trans	-120	146.1	-179.5	0	0	0	0	0	111.5
419	A	92.2	Very high	91.5	Very high	21 Å²	21	54 Å²	54	17%	0.174	32%	0.322	C	S	.	.			trans	-67	135.4	175.4	0	0	0	0	0	110.6	L338 Y409 M412 P421	L338-A419 HydrophobicContact CD1-CB 4.11Å; L338-A419 HydrophobicContact CD2-CB 4.28Å; Y409-A419 HydrophobicContact CE1-CB 3.91Å; M412-A419 VanDerWaalsContact SD-CA 3.59Å; M412-A419 HydrophobicContact SD-CB 3.89Å; A419-P421 WeakPolarHBondContact O-CD 3.13Å
420	V	94.7	Very high	91.6	Very high	48 Å²	48	53.1 Å²	53.1	29%	0.291	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.7	170.6	-179.1	0	0	0	0	107.9	G410 Y411 T413	G410-V420 CarbonylContact C-O 3.6Å; G410-V420 WeakPolarHBondContact CA-O 3.22Å; Y411-V420 HydrophobicContact CD1-CB 4.18Å; Y411-V420 WeakPolarHBondContact CD1-O 3.42Å; Y411-V420 HydrophobicContact CE1-CB 3.71Å; Y411-V420 HydrophobicContact CE1-CG1 3.69Å; Y411-V420 HydrophobicContact CE2-CB 4.25Å; Y411-V420 PolarHBondContact N-O 2.8Å; Y411-V420 PolarHBondContact O-N 3.44Å; T413-V420 HydrophobicContact CG2-CG2 4.14Å
421	P	95.9	Very high	91.7	Very high	58 Å²	58	53.1 Å²	53.1	38%	0.377	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	138	179.7	-19.2	32.2	0	0	0	111	Y409 A419	Y409-P421 HydrophobicContact CD2-CB 4.45Å; Y409-P421 HydrophobicContact CE2-CB 4.16Å; Y409-P421 HydrophobicContact CE2-CG 4.05Å; Y409-P421 CarbonylContact O-C 3.52Å; Y409-P421 WeakPolarHBondContact O-CA 3.05Å; A419-P421 WeakPolarHBondContact O-CD 3.13Å
422	Y	97.6	Very high	91.8	Very high	1 Å²	1	56 Å²	56	0%	0.004	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-68	137.9	172	-80.9	-74.9	0	0	0	111	R132 Y171 D369 V406 Y409 G410 Y411 I426 Y427	R132-Y422 PolarHBondContact NE-O 2.95Å; R132-Y422 PolarHBondContact NH2-O 2.81Å; Y171-Y422 VanDerWaalsContact CE2-O 3.28Å; Y171-Y422 WeakPolarHBondContact CE2-O 3.08Å; Y171-Y422 PolarHBondContact OH-O 3.35Å; D369-Y422 HydrophobicContact CB-CE1 4.38Å; D369-Y422 WeakPolarHBondContact CB-OH 3.4Å; D369-Y422 PolarHBondContact O-OH 3.45Å; D369-Y422 VanDerWaalsContact OD2-CE1 3.24Å; D369-Y422 WeakPolarHBondContact OD2-CE1 3.43Å; D369-Y422 PolarHBondContact OD2-OH 2.69Å; V406-Y422 HydrophobicContact CG2-CE1 4.45Å; V406-Y422 HydrophobicContact CG2-CE2 3.99Å; Y409-Y422 PolarHBondContact O-N 3Å; G410-Y422 VanDerWaalsContact CA-CD2 3.4Å; Y411-Y422 HydrophobicContact CD1-CD1 4.32Å; Y411-Y422 HydrophobicContact CD1-CD2 4.45Å; Y411-Y422 AromaticContact CD1-CE1 3.92Å; Y411-Y422 HydrophobicContact CD1-CE1 3.92Å; Y411-Y422 HydrophobicContact CD1-CE2 4.05Å; Y411-Y422 AromaticContact CD1-CZ 3.76Å; Y411-Y422 HydrophobicContact CE1-CE1 4.42Å; Y422-I426 HydrophobicContact CD1-CB 3.84Å; Y422-I426 HydrophobicContact CD1-CG2 3.35Å; Y422-I426 HydrophobicContact CE1-CB 4.45Å; Y422-I426 HydrophobicContact CE1-CG2 3.54Å; Y422-I426 HydrophobicContact CG-CG2 4.5Å; Y422-Y427 VanDerWaalsContact CB-CE1 3.43Å; Y422-Y427 WeakPolarHBondContact CB-OH 3.35Å; Y422-Y427 AromaticContact CD1-CD1 3.53Å; Y422-Y427 HydrophobicContact CD1-CD1 3.53Å; Y422-Y427 AromaticContact CD1-CE1 3.6Å; Y422-Y427 HydrophobicContact CD1-CE1 3.6Å; Y422-Y427 HydrophobicContact CD1-CG 4.13Å; Y422-Y427 HydrophobicContact CD2-CD1 4.24Å; Y422-Y427 AromaticContact CD2-CE1 3.46Å; Y422-Y427 HydrophobicContact CD2-CE1 3.46Å; Y422-Y427 VanDerWaalsContact CD2-CE1 3.46Å; Y422-Y427 AromaticContact CD2-CZ 3.91Å; Y422-Y427 HydrophobicContact CE1-CD1 4.01Å; Y422-Y427 HydrophobicContact CE1-CE1 4.18Å; Y422-Y427 HydrophobicContact CE2-CE1 4.07Å; Y422-Y427 AromaticContact CG-CD1 3.69Å; Y422-Y427 HydrophobicContact CG-CD1 3.69Å; Y422-Y427 AromaticContact CG-CE1 3.22Å; Y422-Y427 HydrophobicContact CG-CE1 3.22Å; Y422-Y427 HydrophobicContact CG-CE2 4.27Å; Y422-Y427 HydrophobicContact CG-CG 4.37Å; Y422-Y427 AromaticContact CG-CZ 3.57Å
423	S	97.3	Very high	92.1	Very high	29 Å²	29	53.8 Å²	53.8	20%	0.203	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-103.1	170.5	159.9	80.6	0	0	0	0	110.4	E425 I426 Y427	S423-E425 VanDerWaalsContact CB-OE2 3.26Å; S423-E425 WeakPolarHBondContact CB-OE2 3.39Å; S423-E425 PolarHBondContact O-N 2.99Å; S423-E425 PolarHBondContact OG-N 3.36Å; S423-E425 PolarHBondContact OG-OE2 2.9Å; S423-I426 PolarHBondContact O-N 2.88Å; S423-I426 WeakPolarHBondContact OG-CG1 3.3Å; S423-I426 PolarHBondContact OG-N 2.79Å; S423-Y427 VanDerWaalsContact O-CD2 3.23Å; S423-Y427 WeakPolarHBondContact O-CD2 3.35Å; S423-Y427 PolarHBondContact O-N 2.96Å; S423-Y427 VanDerWaalsContact O-N 3.08Å
424	E	97.8	Very high	92.8	Very high	30 Å²	30	51.7 Å²	51.7	14%	0.14	31%	0.308	C	S	.	.	H	α-helix	trans	-51.9	-43.9	172.2	-62.9	-172.6	-156.8	0	0	111.1	Y171 R177 F242 Y427 M428	Y171-E424 HydrophobicContact CD1-CG 3.88Å; Y171-E424 HydrophobicContact CD2-CG 4.39Å; Y171-E424 HydrophobicContact CE1-CG 4.49Å; Y171-E424 HydrophobicContact CG-CG 3.83Å; R177-E424 IonicContact CZ-OE2 3.73Å; R177-E424 IonicContact NH1-OE1 3.35Å; R177-E424 IonicContact NH1-OE2 3.34Å; R177-E424 PolarHBondContact NH1-OE2 2.84Å; R177-E424 VanDerWaalsContact NH1-OE2 3.15Å; R177-E424 IonicContact NH2-OE2 2.81Å; R177-E424 PolarHBondContact NH2-OE2 2.98Å; F242-E424 HydrophobicContact CD1-CB 3.93Å; F242-E424 HydrophobicContact CD1-CG 4.23Å; F242-E424 HydrophobicContact CE1-CB 3.69Å; F242-E424 HydrophobicContact CE1-CG 3.55Å; F242-E424 VanDerWaalsContact CE1-OE2 3.26Å; F242-E424 WeakPolarHBondContact CE1-OE2 3.39Å; F242-E424 HydrophobicContact CZ-CB 4.34Å; F242-E424 HydrophobicContact CZ-CG 3.72Å; E424-Y427 PolarHBondContact O-N 3.06Å; E424-M428 WeakPolarHBondContact O-CG 3.27Å; E424-M428 PolarHBondContact O-N 3.07Å; E424-M428 VanDerWaalsContact O-N 3.1Å
425	E	97.9	Very high	93.9	Very high	93 Å²	93	45.6 Å²	45.6	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-69.2	-36.7	-178.5	-54.3	85.4	171.6	0	0	113.2	K129 S423 M428 K429	K129-E425 IonicContact NZ-OE1 3.99Å; S423-E425 VanDerWaalsContact CB-OE2 3.26Å; S423-E425 WeakPolarHBondContact CB-OE2 3.39Å; S423-E425 PolarHBondContact O-N 2.99Å; S423-E425 PolarHBondContact OG-N 3.36Å; S423-E425 PolarHBondContact OG-OE2 2.9Å; E425-M428 HydrophobicContact CB-CE 4.36Å; E425-M428 HydrophobicContact CG-CE 4.19Å; E425-M428 PolarHBondContact O-N 3.05Å; E425-K429 WeakPolarHBondContact O-CB 3.24Å; E425-K429 PolarHBondContact O-N 3.25Å
426	I	97.8	Very high	95.1	Very high	41 Å²	41	44.3 Å²	44.3	21%	0.21	25%	0.246	C	C	.	.	H	α-helix	trans	-69.8	-39.2	177.8	-58.6	174.2	0	0	0	110.1	Y411 Y422 S423 M428 K429 L430	Y411-I426 HydrophobicContact CE1-CG2 3.86Å; Y422-I426 HydrophobicContact CD1-CB 3.84Å; Y422-I426 HydrophobicContact CD1-CG2 3.35Å; Y422-I426 HydrophobicContact CE1-CB 4.45Å; Y422-I426 HydrophobicContact CE1-CG2 3.54Å; Y422-I426 HydrophobicContact CG-CG2 4.5Å; S423-I426 PolarHBondContact O-N 2.88Å; S423-I426 WeakPolarHBondContact OG-CG1 3.3Å; S423-I426 PolarHBondContact OG-N 2.79Å; I426-M428 VanDerWaalsContact C-N 3.34Å; I426-M428 PolarHBondContact O-N 3.09Å; I426-K429 WeakPolarHBondContact O-CB 3.49Å; I426-K429 PolarHBondContact O-N 3.22Å; I426-K429 VanDerWaalsContact O-N 3.12Å; I426-L430 PolarHBondContact O-N 3.33Å
427	Y	98.7	Very high	96.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-45	171.8	-72.2	-52.7	0	0	0	111.9	Y171 P239 F242 V243 V406 S407 F408 Y422 S423 E424 K429 L430 G431	Y171-Y427 HydrophobicContact CD2-CD2 4.43Å; Y171-Y427 AromaticContact CD2-CE2 3.92Å; Y171-Y427 HydrophobicContact CD2-CE2 3.92Å; Y171-Y427 HydrophobicContact CE2-CE2 4.04Å; P239-Y427 HydrophobicContact CB-CD1 3.99Å; P239-Y427 HydrophobicContact CB-CD2 4.24Å; P239-Y427 HydrophobicContact CB-CE1 3.65Å; P239-Y427 HydrophobicContact CB-CE2 3.91Å; P239-Y427 HydrophobicContact CB-CG 4.28Å; P239-Y427 HydrophobicContact CG-CE1 4.32Å; P239-Y427 HydrophobicContact CG-CE2 4.07Å; F242-Y427 VanDerWaalsContact CB-CB 3.49Å; F242-Y427 HydrophobicContact CB-CD2 4.48Å; F242-Y427 HydrophobicContact CB-CG 4.32Å; V243-Y427 WeakPolarHBondContact CG2-O 3.4Å; V406-Y427 HydrophobicContact CG1-CD1 4.38Å; V406-Y427 HydrophobicContact CG1-CE1 4.3Å; V406-Y427 HydrophobicContact CG2-CD1 3.8Å; V406-Y427 HydrophobicContact CG2-CE1 3.69Å; S407-Y427 VanDerWaalsContact O-CE1 3.3Å; S407-Y427 WeakPolarHBondContact O-CE1 3.49Å; S407-Y427 PolarHBondContact O-OH 2.98Å; F408-Y427 PolarHBondContact O-OH 2.9Å; Y422-Y427 VanDerWaalsContact CB-CE1 3.43Å; Y422-Y427 WeakPolarHBondContact CB-OH 3.35Å; Y422-Y427 AromaticContact CD1-CD1 3.53Å; Y422-Y427 HydrophobicContact CD1-CD1 3.53Å; Y422-Y427 AromaticContact CD1-CE1 3.6Å; Y422-Y427 HydrophobicContact CD1-CE1 3.6Å; Y422-Y427 HydrophobicContact CD1-CG 4.13Å; Y422-Y427 HydrophobicContact CD2-CD1 4.24Å; Y422-Y427 AromaticContact CD2-CE1 3.46Å; Y422-Y427 HydrophobicContact CD2-CE1 3.46Å; Y422-Y427 VanDerWaalsContact CD2-CE1 3.46Å; Y422-Y427 AromaticContact CD2-CZ 3.91Å; Y422-Y427 HydrophobicContact CE1-CD1 4.01Å; Y422-Y427 HydrophobicContact CE1-CE1 4.18Å; Y422-Y427 HydrophobicContact CE2-CE1 4.07Å; Y422-Y427 AromaticContact CG-CD1 3.69Å; Y422-Y427 HydrophobicContact CG-CD1 3.69Å; Y422-Y427 AromaticContact CG-CE1 3.22Å; Y422-Y427 HydrophobicContact CG-CE1 3.22Å; Y422-Y427 HydrophobicContact CG-CE2 4.27Å; Y422-Y427 HydrophobicContact CG-CG 4.37Å; Y422-Y427 AromaticContact CG-CZ 3.57Å; S423-Y427 VanDerWaalsContact O-CD2 3.23Å; S423-Y427 WeakPolarHBondContact O-CD2 3.35Å; S423-Y427 PolarHBondContact O-N 2.96Å; S423-Y427 VanDerWaalsContact O-N 3.08Å; E424-Y427 PolarHBondContact O-N 3.06Å; Y427-K429 VanDerWaalsContact C-N 3.28Å; Y427-K429 PolarHBondContact O-N 3.18Å; Y427-L430 WeakPolarHBondContact O-CB 3.12Å; Y427-L430 PolarHBondContact O-N 3.3Å; Y427-G431 PolarHBondContact O-N 2.89Å
428	M	98.8	Very high	97.2	Very high	29 Å²	29	35.8 Å²	35.8	14%	0.143	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-36.6	174.7	-70.7	-175.6	-71.3	0	0	111.9	F242 Q245 G246 E424 E425 I426 L430 G431 K432	F242-M428 HydrophobicContact CB-CG 4.24Å; F242-M428 HydrophobicContact CD1-CG 4.47Å; F242-M428 WeakPolarHBondContact O-CA 3.36Å; F242-M428 VanDerWaalsContact O-CG 3.29Å; F242-M428 WeakPolarHBondContact O-CG 3.49Å; Q245-M428 HydrophobicContact CG-SD 4.29Å; G246-M428 VanDerWaalsContact CA-O 3.3Å; G246-M428 WeakPolarHBondContact CA-O 3.48Å; E424-M428 WeakPolarHBondContact O-CG 3.27Å; E424-M428 PolarHBondContact O-N 3.07Å; E424-M428 VanDerWaalsContact O-N 3.1Å; E425-M428 HydrophobicContact CB-CE 4.36Å; E425-M428 HydrophobicContact CG-CE 4.19Å; E425-M428 PolarHBondContact O-N 3.05Å; I426-M428 VanDerWaalsContact C-N 3.34Å; I426-M428 PolarHBondContact O-N 3.09Å; M428-L430 PolarHBondContact O-N 3.11Å; M428-G431 PolarHBondContact O-N 3.38Å; M428-K432 WeakPolarHBondContact O-CG 3.28Å; M428-K432 PolarHBondContact O-N 2.86Å
429	K	98.6	Very high	97.6	Very high	116 Å²	116	33.5 Å²	33.5	50%	0.504	17%	0.166	S	C	.	.	H	α-helix	trans	-62.4	-41.5	176.6	-173.7	178.6	177.8	-178.5	0	112.2	E425 I426 Y427 G431 K432 N433	E425-K429 WeakPolarHBondContact O-CB 3.24Å; E425-K429 PolarHBondContact O-N 3.25Å; I426-K429 WeakPolarHBondContact O-CB 3.49Å; I426-K429 PolarHBondContact O-N 3.22Å; I426-K429 VanDerWaalsContact O-N 3.12Å; Y427-K429 VanDerWaalsContact C-N 3.28Å; Y427-K429 PolarHBondContact O-N 3.18Å; K429-G431 VanDerWaalsContact C-N 3.29Å; K429-G431 PolarHBondContact O-N 3.34Å; K429-K432 WeakPolarHBondContact O-CB 3.04Å; K429-K432 PolarHBondContact O-N 3.24Å; K429-N433 PolarHBondContact O-N 3.04Å; K429-N433 PolarHBondContact O-ND2 2.86Å
430	L	98.6	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.3	-45.3	172.5	179.5	58.3	0	0	0	110.9	V243 A367 D369 F370 V406 I426 Y427 M428 K432 N433 V434	V243-L430 HydrophobicContact CG2-CD2 4.24Å; A367-L430 HydrophobicContact CB-CD1 3.94Å; D369-L430 WeakPolarHBondContact OD2-CB 3.43Å; F370-L430 HydrophobicContact CB-CD1 4.46Å; V406-L430 HydrophobicContact CB-CD2 4.15Å; V406-L430 HydrophobicContact CG2-CD2 3.66Å; I426-L430 PolarHBondContact O-N 3.33Å; Y427-L430 WeakPolarHBondContact O-CB 3.12Å; Y427-L430 PolarHBondContact O-N 3.3Å; M428-L430 PolarHBondContact O-N 3.11Å; L430-K432 PolarHBondContact O-N 2.79Å; L430-N433 WeakPolarHBondContact O-CB 3.42Å; L430-N433 PolarHBondContact O-N 2.79Å; L430-N433 VanDerWaalsContact O-N 3.12Å; L430-V434 WeakPolarHBondContact O-CG2 3.23Å; L430-V434 PolarHBondContact O-N 3.17Å
431	G	98.8	Very high	97.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-56.8	-44.9	174.5	0	0	0	0	0	113.8	V243 V247 Y427 M428 K429 N433 V434 A435	V243-G431 VanDerWaalsContact O-CA 3.23Å; V243-G431 WeakPolarHBondContact O-CA 3.15Å; V247-G431 VanDerWaalsContact CG2-O 3.22Å; V247-G431 WeakPolarHBondContact CG2-O 3.27Å; Y427-G431 PolarHBondContact O-N 2.89Å; M428-G431 PolarHBondContact O-N 3.38Å; K429-G431 VanDerWaalsContact C-N 3.29Å; K429-G431 PolarHBondContact O-N 3.34Å; G431-N433 VanDerWaalsContact C-N 3.3Å; G431-N433 PolarHBondContact O-N 3.39Å; G431-V434 WeakPolarHBondContact O-CB 3.41Å; G431-V434 PolarHBondContact O-N 3.1Å; G431-A435 PolarHBondContact O-N 2.98Å
432	K	98.8	Very high	97.6	Very high	91 Å²	91	30.1 Å²	30.1	40%	0.396	14%	0.139	S	C	.	.	H	α-helix	trans	-60.3	-40.6	175.1	-64.5	176.4	-179.1	179.4	0	111.6	G246 F250 M428 K429 L430 A435 R436	G246-K432 VanDerWaalsContact O-CG 3.27Å; G246-K432 WeakPolarHBondContact O-CG 3.36Å; F250-K432 HydrophobicContact CB-CB 4.27Å; F250-K432 HydrophobicContact CB-CG 4.11Å; F250-K432 HydrophobicContact CD2-CB 4.39Å; M428-K432 WeakPolarHBondContact O-CG 3.28Å; M428-K432 PolarHBondContact O-N 2.86Å; K429-K432 WeakPolarHBondContact O-CB 3.04Å; K429-K432 PolarHBondContact O-N 3.24Å; L430-K432 PolarHBondContact O-N 2.79Å; K432-A435 PolarHBondContact O-N 3.37Å; K432-R436 WeakPolarHBondContact O-CB 3.29Å; K432-R436 PolarHBondContact O-N 2.87Å
433	N	98.6	Very high	97.2	Very high	20 Å²	20	34.5 Å²	34.5	11%	0.107	16%	0.158	C	C	.	.	H	α-helix	trans	-68.3	-36.7	177.9	-67.6	-21.8	0	0	0	112.3	L363 N366 A367 K429 L430 G431 R436 T437	L363-N433 HydrophobicContact CD1-CB 4.33Å; N366-N433 PolarHBondContact O-ND2 2.52Å; A367-N433 HydrophobicContact CB-CB 3.85Å; K429-N433 PolarHBondContact O-N 3.04Å; K429-N433 PolarHBondContact O-ND2 2.86Å; L430-N433 WeakPolarHBondContact O-CB 3.42Å; L430-N433 PolarHBondContact O-N 2.79Å; L430-N433 VanDerWaalsContact O-N 3.12Å; G431-N433 VanDerWaalsContact C-N 3.3Å; G431-N433 PolarHBondContact O-N 3.39Å; N433-R436 PolarHBondContact O-N 2.88Å; N433-T437 WeakPolarHBondContact O-CB 3.48Å; N433-T437 PolarHBondContact O-N 2.86Å; N433-T437 PolarHBondContact O-OG1 2.96Å
434	V	98.8	Very high	96.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-51.4	171.2	171.5	0	0	0	0	110	V247 F359 L363 L404 L430 G431 R436 T437 F438	V247-V434 HydrophobicContact CG2-CB 4.26Å; V247-V434 HydrophobicContact CG2-CG1 4.28Å; F359-V434 HydrophobicContact CZ-CG1 4.32Å; L363-V434 HydrophobicContact CD1-CG2 4.01Å; L363-V434 HydrophobicContact CD2-CG2 3.87Å; L404-V434 HydrophobicContact CD2-CG2 3.83Å; L430-V434 WeakPolarHBondContact O-CG2 3.23Å; L430-V434 PolarHBondContact O-N 3.17Å; G431-V434 WeakPolarHBondContact O-CB 3.41Å; G431-V434 PolarHBondContact O-N 3.1Å; V434-R436 PolarHBondContact O-N 3.08Å; V434-T437 WeakPolarHBondContact O-CB 3.38Å; V434-T437 PolarHBondContact O-N 2.68Å; V434-F438 HydrophobicContact CG1-CE2 4.36Å
435	A	98.6	Very high	95.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-42.6	-179.5	0	0	0	0	0	112.5	V247 F250 L251 L261 G431 K432 T437 F438	V247-A435 HydrophobicContact CG1-CB 4.17Å; F250-A435 HydrophobicContact CB-CB 4.01Å; F250-A435 HydrophobicContact CD1-CB 3.43Å; F250-A435 VanDerWaalsContact CD1-CB 3.43Å; F250-A435 HydrophobicContact CE1-CB 4.17Å; F250-A435 HydrophobicContact CG-CB 3.99Å; L251-A435 HydrophobicContact CD2-CB 4.3Å; L251-A435 HydrophobicContact CG-CB 4.18Å; L261-A435 VanDerWaalsContact CD1-O 3.32Å; L261-A435 WeakPolarHBondContact CD1-O 3.41Å; G431-A435 PolarHBondContact O-N 2.98Å; K432-A435 PolarHBondContact O-N 3.37Å; A435-T437 VanDerWaalsContact C-N 3.33Å; A435-T437 PolarHBondContact O-N 3.06Å; A435-F438 PolarHBondContact O-N 2.65Å
436	R	97.6	Very high	93.7	Very high	107 Å²	107	40.9 Å²	40.9	40%	0.404	19%	0.194	S	C	.	.	H	α-helix	trans	-63.2	-37.8	178	-174.3	177.3	179.1	165.6	1.3	112.7	F250 V257 K432 N433 V434 F438 L439	F250-R436 HydrophobicContact CE1-CB 4.19Å; F250-R436 HydrophobicContact CE2-CB 4.3Å; F250-R436 HydrophobicContact CZ-CB 3.82Å; F250-R436 HydrophobicContact CZ-CG 4.14Å; V257-R436 HydrophobicContact CG1-CG 4.3Å; K432-R436 WeakPolarHBondContact O-CB 3.29Å; K432-R436 PolarHBondContact O-N 2.87Å; N433-R436 PolarHBondContact O-N 2.88Å; V434-R436 PolarHBondContact O-N 3.08Å; R436-F438 PolarHBondContact O-N 2.93Å; R436-L439 PolarHBondContact O-N 2.87Å; R436-L439 VanDerWaalsContact O-N 3.09Å
437	T	98.4	Very high	91.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-27.7	-178.1	-61.6	0	0	0	0	113.1	F359 L362 L363 N366 N433 V434 A435 L439 D440 Y441	F359-T437 HydrophobicContact CD2-CG2 4.05Å; F359-T437 HydrophobicContact CE1-CG2 4.43Å; F359-T437 HydrophobicContact CE2-CG2 3.75Å; F359-T437 HydrophobicContact CZ-CG2 3.96Å; L362-T437 HydrophobicContact CB-CG2 3.6Å; L363-T437 HydrophobicContact CB-CG2 4.16Å; N366-T437 PolarHBondContact ND2-OG1 3.01Å; N366-T437 VanDerWaalsContact ND2-OG1 3.07Å; N433-T437 WeakPolarHBondContact O-CB 3.48Å; N433-T437 PolarHBondContact O-N 2.86Å; N433-T437 PolarHBondContact O-OG1 2.96Å; V434-T437 WeakPolarHBondContact O-CB 3.38Å; V434-T437 PolarHBondContact O-N 2.68Å; A435-T437 VanDerWaalsContact C-N 3.33Å; A435-T437 PolarHBondContact O-N 3.06Å; T437-L439 PolarHBondContact O-N 2.87Å; T437-D440 PolarHBondContact O-N 3.31Å; T437-D440 VanDerWaalsContact O-N 3.15Å; T437-Y441 PolarHBondContact O-N 2.61Å
438	F	98.1	Very high	88.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.3	-36.6	175	-75	-68.1	0	0	0	112.5	V227 L261 F267 F327 I329 F359 V434 A435 R436 D440 Y441 Y442	V227-F438 HydrophobicContact CB-CE1 4.45Å; V227-F438 HydrophobicContact CB-CZ 4.43Å; V227-F438 HydrophobicContact CG1-CE1 3.77Å; V227-F438 HydrophobicContact CG1-CE2 4Å; V227-F438 HydrophobicContact CG1-CZ 3.37Å; V227-F438 HydrophobicContact CG2-CD1 4.04Å; V227-F438 HydrophobicContact CG2-CE1 3.76Å; V227-F438 HydrophobicContact CG2-CZ 4.19Å; L261-F438 HydrophobicContact CD1-CB 4.48Å; L261-F438 HydrophobicContact CD2-CB 3.8Å; F267-F438 AromaticContact CE1-CD2 3.76Å; F267-F438 HydrophobicContact CE1-CD2 3.76Å; F267-F438 AromaticContact CE1-CE2 3.97Å; F267-F438 HydrophobicContact CE1-CE2 3.97Å; F267-F438 HydrophobicContact CE1-CG 4.24Å; F267-F438 HydrophobicContact CZ-CD2 4.25Å; F267-F438 HydrophobicContact CZ-CG 4.45Å; F327-F438 HydrophobicContact CB-CE1 4.4Å; F327-F438 HydrophobicContact CD1-CE1 4.19Å; F327-F438 HydrophobicContact CD2-CD1 4.35Å; F327-F438 AromaticContact CD2-CE1 3.79Å; F327-F438 HydrophobicContact CD2-CE1 3.79Å; F327-F438 HydrophobicContact CE1-CE1 4.39Å; F327-F438 HydrophobicContact CE2-CD1 4.23Å; F327-F438 AromaticContact CE2-CE1 3.99Å; F327-F438 HydrophobicContact CE2-CE1 3.99Å; F327-F438 AromaticContact CG-CE1 3.87Å; F327-F438 HydrophobicContact CG-CE1 3.87Å; F327-F438 HydrophobicContact CZ-CE1 4.28Å; I329-F438 HydrophobicContact CD1-CZ 3.81Å; F359-F438 HydrophobicContact CD2-CD1 4.21Å; F359-F438 HydrophobicContact CD2-CE1 4.16Å; F359-F438 AromaticContact CE2-CD1 3.51Å; F359-F438 HydrophobicContact CE2-CD1 3.51Å; F359-F438 HydrophobicContact CE2-CD2 4.27Å; F359-F438 AromaticContact CE2-CE1 3.47Å; F359-F438 HydrophobicContact CE2-CE1 3.47Å; F359-F438 VanDerWaalsContact CE2-CE1 3.47Å; F359-F438 HydrophobicContact CE2-CE2 4.25Å; F359-F438 AromaticContact CE2-CG 3.91Å; F359-F438 HydrophobicContact CE2-CG 3.91Å; F359-F438 AromaticContact CE2-CZ 3.86Å; F359-F438 HydrophobicContact CE2-CZ 3.86Å; F359-F438 HydrophobicContact CZ-CD1 4.32Å; F359-F438 HydrophobicContact CZ-CD2 4.46Å; F359-F438 AromaticContact CZ-CE1 3.98Å; F359-F438 HydrophobicContact CZ-CE1 3.98Å; F359-F438 HydrophobicContact CZ-CE2 4.14Å; F359-F438 AromaticContact CZ-CZ 3.88Å; F359-F438 HydrophobicContact CZ-CZ 3.88Å; V434-F438 HydrophobicContact CG1-CE2 4.36Å; A435-F438 PolarHBondContact O-N 2.65Å; R436-F438 PolarHBondContact O-N 2.93Å; F438-D440 VanDerWaalsContact C-N 3.33Å; F438-D440 PolarHBondContact O-N 3.12Å; F438-Y441 PolarHBondContact O-N 3.01Å; F438-Y442 HydrophobicContact CB-CD2 4.18Å; F438-Y442 HydrophobicContact CB-CE2 4.18Å; F438-Y442 HydrophobicContact CD1-CE2 4.2Å; F438-Y442 WeakPolarHBondContact O-CB 3.4Å; F438-Y442 WeakPolarHBondContact O-CD2 3.49Å; F438-Y442 PolarHBondContact O-N 2.73Å
439	L	96	Very high	85.9	Confident	18 Å²	18	51 Å²	51	9%	0.094	24%	0.243	C	C	.	.	H	α-helix	trans	-64.1	-42.1	179.4	179.3	65.6	0	0	0	111.1	V257 V260 L261 R436 T437 Y442 K443	V257-L439 HydrophobicContact CB-CD2 3.98Å; V257-L439 HydrophobicContact CG1-CB 3.73Å; V257-L439 HydrophobicContact CG1-CD2 3.55Å; V257-L439 HydrophobicContact CG1-CG 4.23Å; V257-L439 HydrophobicContact CG2-CD2 3.61Å; V260-L439 HydrophobicContact CB-CD1 4.44Å; V260-L439 HydrophobicContact CG1-CD1 3.73Å; L261-L439 HydrophobicContact CD2-CB 4.18Å; L261-L439 HydrophobicContact CG-CB 4.39Å; R436-L439 PolarHBondContact O-N 2.87Å; R436-L439 VanDerWaalsContact O-N 3.09Å; T437-L439 PolarHBondContact O-N 2.87Å; L439-Y442 PolarHBondContact O-N 2.93Å; L439-K443 HydrophobicContact CD1-CG 4.45Å; L439-K443 HydrophobicContact CG-CD 4.23Å; L439-K443 WeakPolarHBondContact O-CB 3.5Å; L439-K443 VanDerWaalsContact O-CG 3.3Å; L439-K443 WeakPolarHBondContact O-CG 3.44Å; L439-K443 PolarHBondContact O-N 2.85Å
440	D	95.2	Very high	83.1	Confident	43 Å²	43	52.2 Å²	52.2	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-40.4	180	-58.7	-32.9	0	0	0	110.8	L362 N366 T437 F438 Y442 K443 L444	L362-D440 HydrophobicContact CD1-CB 4.29Å; L362-D440 HydrophobicContact CD2-CB 4.43Å; N366-D440 PolarHBondContact ND2-OD2 3.33Å; T437-D440 PolarHBondContact O-N 3.31Å; T437-D440 VanDerWaalsContact O-N 3.15Å; F438-D440 VanDerWaalsContact C-N 3.33Å; F438-D440 PolarHBondContact O-N 3.12Å; D440-Y442 PolarHBondContact O-N 3.1Å; D440-K443 PolarHBondContact O-N 2.64Å; D440-L444 WeakPolarHBondContact O-CG 3.19Å; D440-L444 PolarHBondContact O-N 3.05Å; D440-L444 VanDerWaalsContact O-N 3.16Å
441	Y	95.7	Very high	80.7	Confident	8 Å²	8	55.9 Å²	55.9	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-47.7	173.4	177.5	-92.7	0	0	0	111.6	F327 V358 F359 Y400 T437 F438 K443 L444 N445	F327-Y441 AromaticContact CE2-CD1 3.71Å; F327-Y441 HydrophobicContact CE2-CD1 3.71Å; F327-Y441 AromaticContact CE2-CE1 3.33Å; F327-Y441 HydrophobicContact CE2-CE1 3.33Å; F327-Y441 HydrophobicContact CE2-CE2 4.48Å; F327-Y441 HydrophobicContact CE2-CG 4.42Å; F327-Y441 AromaticContact CE2-CZ 3.76Å; F327-Y441 AromaticContact CZ-CD1 3.71Å; F327-Y441 HydrophobicContact CZ-CD1 3.71Å; F327-Y441 HydrophobicContact CZ-CD2 4Å; F327-Y441 AromaticContact CZ-CE1 3.4Å; F327-Y441 HydrophobicContact CZ-CE1 3.4Å; F327-Y441 VanDerWaalsContact CZ-CE1 3.4Å; F327-Y441 AromaticContact CZ-CE2 3.7Å; F327-Y441 HydrophobicContact CZ-CE2 3.7Å; F327-Y441 AromaticContact CZ-CG 4Å; F327-Y441 HydrophobicContact CZ-CG 4Å; F327-Y441 AromaticContact CZ-CZ 3.38Å; V358-Y441 HydrophobicContact CB-CD2 4.38Å; V358-Y441 HydrophobicContact CB-CE2 4.31Å; V358-Y441 HydrophobicContact CG1-CD2 3.95Å; V358-Y441 HydrophobicContact CG1-CE2 4.29Å; F359-Y441 HydrophobicContact CB-CD2 4.05Å; F359-Y441 HydrophobicContact CB-CE2 4.41Å; F359-Y441 HydrophobicContact CD2-CD2 4.31Å; F359-Y441 HydrophobicContact CD2-CG 4.27Å; Y400-Y441 WeakPolarHBondContact CE2-OH 3.45Å; T437-Y441 PolarHBondContact O-N 2.61Å; F438-Y441 PolarHBondContact O-N 3.01Å; Y441-K443 PolarHBondContact O-N 2.85Å; Y441-L444 PolarHBondContact O-N 2.9Å; Y441-N445 VanDerWaalsContact CE1-ND2 3.31Å; Y441-N445 WeakPolarHBondContact CE1-ND2 3.22Å; Y441-N445 WeakPolarHBondContact CE2-ND2 3.46Å; Y441-N445 PolarHBondContact O-N 3.05Å; Y441-N445 VanDerWaalsContact O-N 3.13Å; Y441-N445 PolarHBondContact OH-ND2 3.26Å
442	Y	92.9	Very high	77.9	Confident	5 Å²	5	58.3 Å²	58.3	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-69.5	-31.6	-178.3	-82.6	-51.9	0	0	0	114.1	K225 L261 V265 E326 F438 L439 D440 L447	K225-Y442 HydrophobicContact CD-CD1 4.16Å; K225-Y442 HydrophobicContact CD-CE1 3.68Å; L261-Y442 HydrophobicContact CD2-CD2 4.32Å; V265-Y442 HydrophobicContact CG1-CE2 4.25Å; V265-Y442 HydrophobicContact CG2-CD2 3.84Å; V265-Y442 HydrophobicContact CG2-CE2 3.48Å; V265-Y442 VanDerWaalsContact CG2-CE2 3.48Å; E326-Y442 WeakPolarHBondContact OE2-CE1 3.43Å; E326-Y442 PolarHBondContact OE2-OH 2.9Å; F438-Y442 HydrophobicContact CB-CD2 4.18Å; F438-Y442 HydrophobicContact CB-CE2 4.18Å; F438-Y442 HydrophobicContact CD1-CE2 4.2Å; F438-Y442 WeakPolarHBondContact O-CB 3.4Å; F438-Y442 WeakPolarHBondContact O-CD2 3.49Å; F438-Y442 PolarHBondContact O-N 2.73Å; L439-Y442 PolarHBondContact O-N 2.93Å; D440-Y442 PolarHBondContact O-N 3.1Å; Y442-L447 HydrophobicContact CD1-CD1 3.39Å; Y442-L447 HydrophobicContact CE1-CD1 4.33Å; Y442-L447 HydrophobicContact CG-CD1 3.63Å; Y442-L447 WeakPolarHBondContact O-CB 3.4Å; Y442-L447 PolarHBondContact O-N 2.86Å; Y442-L447 VanDerWaalsContact O-N 3.13Å
443	K	89.4	Confident	75	Confident	93 Å²	93	59.4 Å²	59.4	40%	0.404	31%	0.31	S	S	.	.	H	α-helix	trans	-65	-43.5	171.8	-77.7	173.9	175.3	-179.6	0	112	L439 D440 Y441	L439-K443 HydrophobicContact CD1-CG 4.45Å; L439-K443 HydrophobicContact CG-CD 4.23Å; L439-K443 WeakPolarHBondContact O-CB 3.5Å; L439-K443 VanDerWaalsContact O-CG 3.3Å; L439-K443 WeakPolarHBondContact O-CG 3.44Å; L439-K443 PolarHBondContact O-N 2.85Å; D440-K443 PolarHBondContact O-N 2.64Å; Y441-K443 PolarHBondContact O-N 2.85Å
444	L	83.9	Confident	72.2	Confident	109 Å²	109	62.4 Å²	62.4	57%	0.571	34%	0.338	S	S	*	.	H	α-helix	trans	-69.6	-34.6	-178.7	-72.1	171.5	0	0	0	112.9	L362 D440 Y441 N446	L362-L444 HydrophobicContact CD1-CD1 3.95Å; L362-L444 HydrophobicContact CD2-CD1 3.73Å; L362-L444 HydrophobicContact CG-CD1 4.36Å; D440-L444 WeakPolarHBondContact O-CG 3.19Å; D440-L444 PolarHBondContact O-N 3.05Å; D440-L444 VanDerWaalsContact O-N 3.16Å; Y441-L444 PolarHBondContact O-N 2.9Å; L444-N446 PolarHBondContact O-N 2.81Å
445	N	70.9	Confident	69.7	Low	68 Å²	68	66 Å²	66	36%	0.364	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	30.8	-179.6	-71.5	-27.2	0	0	0	113.9	Y441	Y441-N445 VanDerWaalsContact CE1-ND2 3.31Å; Y441-N445 WeakPolarHBondContact CE1-ND2 3.22Å; Y441-N445 WeakPolarHBondContact CE2-ND2 3.46Å; Y441-N445 PolarHBondContact O-N 3.05Å; Y441-N445 VanDerWaalsContact O-N 3.13Å; Y441-N445 PolarHBondContact OH-ND2 3.26Å
446	N	62.6	Low	66.9	Low	110 Å²	110	72.8 Å²	72.8	59%	0.588	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	51.9	175	-68.1	-41	0	0	0	115.2	L444 T448	L444-N446 PolarHBondContact O-N 2.81Å; N446-T448 VanDerWaalsContact C-N 3.27Å
447	L	49.7	Very low	64	Low	36 Å²	36	74.4 Å²	74.4	19%	0.188	40%	0.402	C	S	.	.			trans	-66.2	-33.7	145.4	-95.1	137.4	0	0	0	109.9	K225 H264 Y442 K449 Y451	K225-L447 HydrophobicContact CD-CD1 4.08Å; K225-L447 VanDerWaalsContact NZ-CD1 3.34Å; H264-L447 HydrophobicContact CB-CD2 4.43Å; Y442-L447 HydrophobicContact CD1-CD1 3.39Å; Y442-L447 HydrophobicContact CE1-CD1 4.33Å; Y442-L447 HydrophobicContact CG-CD1 3.63Å; Y442-L447 WeakPolarHBondContact O-CB 3.4Å; Y442-L447 PolarHBondContact O-N 2.86Å; Y442-L447 VanDerWaalsContact O-N 3.13Å; L447-K449 PolarHBondContact O-N 3.01Å; L447-Y451 VanDerWaalsContact C-CE2 3.42Å; L447-Y451 WeakPolarHBondContact CB-OH 3.45Å; L447-Y451 WeakPolarHBondContact CD2-OH 3.23Å; L447-Y451 WeakPolarHBondContact O-CD2 3.41Å; L447-Y451 WeakPolarHBondContact O-CE2 3.38Å; L447-Y451 VanDerWaalsContact O-CZ 3.32Å; L447-Y451 PolarHBondContact O-OH 3.02Å
448	T	42.3	Very low	61.2	Low	68 Å²	68	78.6 Å²	78.6	42%	0.417	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	61.2	-171.8	56.9	0	0	0	0	118.5	N446 Y451	N446-T448 VanDerWaalsContact C-N 3.27Å; T448-Y451 HydrophobicContact CG2-CD1 3.95Å; T448-Y451 HydrophobicContact CG2-CD2 3.91Å; T448-Y451 HydrophobicContact CG2-CE1 4.29Å; T448-Y451 HydrophobicContact CG2-CE2 4.4Å; T448-Y451 HydrophobicContact CG2-CG 3.68Å
449	K	39.5	Very low	58.3	Low	177 Å²	177	81.8 Å²	81.8	77%	0.77	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-13.3	159.3	-81	-171.3	178.2	-179.8	0	114.9	L447	L447-K449 PolarHBondContact O-N 3.01Å
450	D	40.4	Very low	55.5	Low	142 Å²	142	86.6 Å²	86.6	76%	0.759	48%	0.479	S	S	*	.	S	Bend	trans	-107.9	18.8	177.8	-75.3	-21.2	0	0	0	115.5
451	Y	48.6	Very low	52.5	Low	78 Å²	78	87 Å²	87	31%	0.306	49%	0.493	S	S	.	.			trans	-107	104.1	-159.6	-67.3	-113.9	0	0	0	110.1	L447 T448 L455	L447-Y451 VanDerWaalsContact C-CE2 3.42Å; L447-Y451 WeakPolarHBondContact CB-OH 3.45Å; L447-Y451 WeakPolarHBondContact CD2-OH 3.23Å; L447-Y451 WeakPolarHBondContact O-CD2 3.41Å; L447-Y451 WeakPolarHBondContact O-CE2 3.38Å; L447-Y451 VanDerWaalsContact O-CZ 3.32Å; L447-Y451 PolarHBondContact O-OH 3.02Å; T448-Y451 HydrophobicContact CG2-CD1 3.95Å; T448-Y451 HydrophobicContact CG2-CD2 3.91Å; T448-Y451 HydrophobicContact CG2-CE1 4.29Å; T448-Y451 HydrophobicContact CG2-CE2 4.4Å; T448-Y451 HydrophobicContact CG2-CG 3.68Å; Y451-L455 HydrophobicContact CD1-CD1 3.67Å; Y451-L455 HydrophobicContact CE1-CD1 4.48Å
452	G	38.9	Very low	50	Low	51 Å²	51	92.9 Å²	92.9	53%	0.526	52%	0.524	S	S	.	.			trans	-60	171	173	0	0	0	0	0	113.8	A454	G452-A454 PolarHBondContact O-N 3.38Å
453	P	38	Very low	47.1	Very low	113 Å²	113	96.5 Å²	96.5	73%	0.734	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-63.7	-1.9	-164.4	20.8	-31.6	0	0	0	117.1	L455 M456	P453-L455 VanDerWaalsContact C-N 3.3Å; P453-L455 PolarHBondContact O-N 3.43Å; P453-M456 PolarHBondContact O-N 3.33Å
454	A	41.8	Very low	44.2	Very low	84 Å²	84	99.7 Å²	99.7	69%	0.694	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-68.7	-20.8	-175.4	0	0	0	0	0	114.7	G452	G452-A454 PolarHBondContact O-N 3.38Å
455	L	44.5	Very low	41.8	Very low	75 Å²	75	100.9 Å²	100.9	39%	0.393	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-88.7	-17.6	-179.6	-90	156.6	0	0	0	114.7	Y451 P453	Y451-L455 HydrophobicContact CD1-CD1 3.67Å; Y451-L455 HydrophobicContact CE1-CD1 4.48Å; P453-L455 VanDerWaalsContact C-N 3.3Å; P453-L455 PolarHBondContact O-N 3.43Å
456	M	40.3	Very low	40	Very low	143 Å²	143	100.9 Å²	100.9	70%	0.704	59%	0.593	S	S	*	*	H	α-helix	trans	-68.6	-37.7	177.2	-76	-74.9	-159.9	0	0	111.4	P453 C458 A459 E460	P453-M456 PolarHBondContact O-N 3.33Å; M456-C458 PolarHBondContact O-N 3.2Å; M456-A459 PolarHBondContact O-N 3.45Å; M456-E460 PolarHBondContact O-N 3.25Å
457	H	36.2	Very low	38.7	Very low	142 Å²	142	104.5 Å²	104.5	66%	0.657	60%	0.604	S	S	*	*	H	α-helix	trans	-74.2	-26.6	-174.9	-83.2	-57.3	0	0	0	115.2	A459 E460 G461	H457-A459 VanDerWaalsContact C-N 3.3Å; H457-A459 PolarHBondContact O-N 3.06Å; H457-E460 IonicContact ND1-OE2 3.89Å; H457-G461 PolarHBondContact O-N 2.97Å
458	C	39.7	Very low	37.5	Very low	88 Å²	88	107.7 Å²	107.7	60%	0.595	63%	0.629	S	S	*	*	H	α-helix	trans	-73.1	-22.5	176.2	-78.6	0	0	0	0	113	M456	M456-C458 PolarHBondContact O-N 3.2Å
459	A	37.9	Very low	36.8	Very low	66 Å²	66	112.7 Å²	112.7	55%	0.545	65%	0.645	S	S	.	*	H	α-helix	trans	-83.2	-35.9	178.5	0	0	0	0	0	112.4	M456 H457 I462	M456-A459 PolarHBondContact O-N 3.45Å; H457-A459 VanDerWaalsContact C-N 3.3Å; H457-A459 PolarHBondContact O-N 3.06Å; A459-I462 PolarHBondContact O-N 2.85Å
460	E	36	Very low	36.2	Very low	119 Å²	119	111.5 Å²	111.5	56%	0.556	65%	0.653	S	S	*	*	H	α-helix	trans	-71.1	-30.6	178.6	-69.2	-176.4	158.9	0	0	113	M456 H457 I462 S463	M456-E460 PolarHBondContact O-N 3.25Å; H457-E460 IonicContact ND1-OE2 3.89Å; E460-I462 VanDerWaalsContact C-N 3.26Å; E460-I462 PolarHBondContact O-N 3.4Å; E460-S463 PolarHBondContact O-OG 3.44Å
461	G	33.9	Very low	35.6	Very low	51 Å²	51	110.3 Å²	110.3	53%	0.526	65%	0.651	S	S	.	*	H	α-helix	trans	-70.3	-16.7	176.7	0	0	0	0	0	115	H457	H457-G461 PolarHBondContact O-N 2.97Å
462	I	42.5	Very low	34.5	Very low	132 Å²	132	112 Å²	112	68%	0.677	67%	0.673	S	S	*	*	H	α-helix	trans	-99	-24.8	-178	-60.2	174.5	0	0	0	111.3	A459 E460	A459-I462 PolarHBondContact O-N 2.85Å; E460-I462 VanDerWaalsContact C-N 3.26Å; E460-I462 PolarHBondContact O-N 3.4Å
463	S	31.6	Very low	33.8	Very low	81 Å²	81	114.6 Å²	114.6	57%	0.566	68%	0.684	S	S	*	*	H	α-helix	trans	-77.3	-20.8	178.2	69.9	0	0	0	0	113.7	E460	E460-S463 PolarHBondContact O-OG 3.44Å
464	Q	29	Very low	33.3	Very low	161 Å²	161	115.7 Å²	115.7	75%	0.752	69%	0.689	S	S	*	*	S	Bend	trans	-88.3	-13.3	-178.5	-68.8	-148.6	-2.4	0	0	115.6	G466	Q464-G466 PolarHBondContact O-N 3.13Å
465	V	32.6	Very low	32.4	Very low	133 Å²	133	117.8 Å²	117.8	81%	0.806	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-9.4	176.4	-175.9	0	0	0	0	112
466	G	33	Very low	31.7	Very low	68 Å²	68	119.9 Å²	119.9	70%	0.701	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	2.6	-179.7	0	0	0	0	0	116.5	Q464	Q464-G466 PolarHBondContact O-N 3.13Å
467	K	35.6	Very low	31	Very low	187 Å²	187	119.6 Å²	119.6	81%	0.813	72%	0.721	S	S	*	*			trans	-140.2	89.6	-176.7	-75.3	-173.6	177.6	178.1	0	113.2
468	S	26.1	Very low	30.6	Very low	102 Å²	102	124.6 Å²	124.6	71%	0.713	73%	0.734	S	S	*	*			trans	-168.1	131.3	155.1	167.9	0	0	0	0	107.7
469	K	27.7	Very low	29.9	Very low	174 Å²	174	129 Å²	129	76%	0.757	75%	0.745	S	S	*	*			cis	-161.8	120.4	-4.6	-99.6	169.5	-177.7	178.5	0	104.3	V471	K469-V471 HydrophobicContact CB-CG2 4.19Å; K469-V471 PolarHBondContact O-N 3.18Å
470	T	26.5	Very low	29.4	Very low	152 Å²	152	131.9 Å²	131.9	93%	0.933	76%	0.762	S	S	*	*			trans	-77.8	106.7	157.7	22	0	0	0	0	106.8
471	V	26.3	Very low	28.9	Very low	117 Å²	117	129.9 Å²	129.9	71%	0.709	77%	0.773	S	S	*	*			trans	-96.4	108.4	169.6	179.2	0	0	0	0	107.3	K469	K469-V471 HydrophobicContact CB-CG2 4.19Å; K469-V471 PolarHBondContact O-N 3.18Å
472	S	26.6	Very low	28.7	Very low	112 Å²	112	135 Å²	135	78%	0.783	79%	0.789	S	S	*	*			trans	-70.9	122.7	160.7	52.7	0	0	0	0	109
473	S	24.7	Very low	28	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	80%	0.799	S	S	*	*			trans	-128.2	94.6	164.2	64.1	0	0	0	0	109.7
474	T	26.1	Very low	27.9	Very low	136 Å²	136	144.5 Å²	144.5	83%	0.834	81%	0.808	S	S	*	*			trans	-66.8	129.7	151.7	42.4	0	0	0	0	108.8
475	C	24.2	Very low	27.9	Very low	128 Å²	128	144.8 Å²	144.8	87%	0.865	81%	0.807	S	S	*	*			trans	-151.2	157.5	158.4	-98	0	0	0	0	111.1
476	P	29	Very low	27.7	Very low	118 Å²	118	145.6 Å²	145.6	77%	0.766	80%	0.802	S	S	*	*			trans	-105.6	169.6	-141.9	38.6	-32.3	0	0	0	114.9
477	V	26.5	Very low	27.5	Very low	137 Å²	137	150.7 Å²	150.7	83%	0.83	81%	0.805	S	S	*	*			trans	-57.9	132.9	170.4	177.5	0	0	0	0	111.6
478	R	26.3	Very low	27.2	Very low	248 Å²	248	147.4 Å²	147.4	94%	0.936	80%	0.796	S	S	*	*			trans	-152	133.3	148.9	-103	-177.8	-175.5	-169.3	0	110.8
479	E	25.6	Very low	27.4	Very low	179 Å²	179	150 Å²	150	84%	0.836	80%	0.797	S	S	*	*			trans	-70.4	150	178	-66.5	170.5	132.9	0	0	113.2
480	S	27.6	Very low	27.6	Very low	128 Å²	128	147.9 Å²	147.9	90%	0.895	79%	0.793	S	S	*	*				149.6	138.4	116	56.4	0	0	0	0	112.7
481	G	26.1	Very low	27.7	Very low	77 Å²	77	149.6 Å²	149.6	79%	0.794	79%	0.788	S	S	*	*			trans	119.1	79.7	149.3	0	0	0	0	0	118.9
482	D	28.4	Very low	27.8	Very low	158 Å²	158	148 Å²	148	85%	0.845	78%	0.782	S	S	*	*			trans	14.7	127.4	141.2	-85.5	-40.8	0	0	0	121.6
483	R	28.7	Very low	28.5	Very low	235 Å²	235	155.2 Å²	155.2	89%	0.887	80%	0.803	S	S	*	*				-179.1	115.1	107.5	-98.3	174.7	-170.7	-168.8	4.4	114.4
484	K	29.1	Very low	28.7	Very low	177 Å²	177	157.7 Å²	157.7	77%	0.77	81%	0.805	S	S	*	*			trans	57.9	125.4	130.4	-80.1	-177.9	175.4	175.2	0	123.5
485	K	29.3	Very low	28.9	Very low	167 Å²	167	158.8 Å²	158.8	73%	0.726	80%	0.804	S	S	*	*			trans	71.9	142.1	139.1	-68	-175.2	170.1	-158.6	0	117.1
486	E	28.5	Very low	29.1	Very low	151 Å²	151	160.5 Å²	160.5	71%	0.706	80%	0.8	S	S	*	*			cis	-163.1	129.2	19.7	-127.3	157.1	-167.6	0	0	107
487	K	29.4	Very low	29.1	Very low	174 Å²	174	163 Å²	163	76%	0.757	80%	0.802	S	S	*	*				66.6	122.4	115.1	-84	-170.3	168.6	-164.6	0	120.2
488	D	29.4	Very low	29.3	Very low	118 Å²	118	164.6 Å²	164.6	63%	0.631	80%	0.801	S	S	*	*				96.1	119.5	129.9	-65.7	-16.9	0	0	0	122
489	Q	29.8	Very low	29.5	Very low	158 Å²	158	159.1 Å²	159.1	74%	0.738	79%	0.792	S	S	*	*			trans	75.4	110.6	130.9	-69.9	-171.6	-3.2	0	0	119.3
490	I	30.9	Very low	29.8	Very low	128 Å²	128	157.6 Å²	157.6	66%	0.656	79%	0.788	S	S	*	*				93.9	135.6	78.7	-79.7	174.8	0	0	0	112.8
491	F	29.9	Very low	29.9	Very low	189 Å²	189	159.9 Å²	159.9	83%	0.829	78%	0.78	S	S	*	*			trans	93.5	125.5	157.3	-83.3	-58.2	0	0	0	121.9
492	S	28.1	Very low	30.3	Very low	84 Å²	84	166.8 Å²	166.8	59%	0.587	78%	0.779	S	S	*	*			trans	-52.7	147.8	161.8	55.6	0	0	0	0	115
493	H	41.5	Very low	30.4	Very low	263 Å²	263	167.6 Å²	167.6	100%	1.218	77%	0.773	S	S	*	*				-148.9	0	111.3	-99.5	-5.9	0	0	0	110

Retrieved 493 of 493 residues in 150.7 ms (Link to these results)

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