G4VR77_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession G4VR77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 628 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.3	Very low	40.9	Very low	242 Å²	242	153 Å²	153	100%	1.192	82%	0.822	S	S	*	*				0	129.1	0	-89.5	175.6	160.9	0	0	106	E3	M1-E3 PolarHBondContact O-N 3.31Å
2	M	38.1	Very low	41.3	Very low	191 Å²	191	150.1 Å²	150.1	94%	0.941	81%	0.813	S	S	*	*			trans	-54.9	113.8	-166.5	-73.2	167.4	169.8	0	0	112.4
3	E	37.4	Very low	42.2	Very low	192 Å²	192	142.8 Å²	142.8	90%	0.897	77%	0.773	S	S	*	*			trans	-83.5	111.1	159.7	-78.7	175.7	163.3	0	0	107.2	M1	M1-E3 PolarHBondContact O-N 3.31Å
4	T	39.9	Very low	43.7	Very low	122 Å²	122	146.2 Å²	146.2	75%	0.748	77%	0.769	S	S	*	*			trans	-82.1	108.4	168.9	43.8	0	0	0	0	108.5	T6	T4-T6 PolarHBondContact O-N 2.89Å
5	E	40.2	Very low	46.3	Very low	201 Å²	201	139.1 Å²	139.1	94%	0.939	73%	0.732	S	S	*	*			trans	-61.5	109.7	165.5	-79	178.9	141.9	0	0	109.6
6	T	40.6	Very low	49.2	Very low	128 Å²	128	130.4 Å²	130.4	79%	0.785	69%	0.687	S	S	*	*			trans	-84.1	110	161.2	49.3	0	0	0	0	108	T4	T4-T6 PolarHBondContact O-N 2.89Å
7	A	36.6	Very low	51.8	Low	86 Å²	86	127.4 Å²	127.4	71%	0.711	66%	0.664	S	S	*	*			trans	-63.1	139.8	172.7	0	0	0	0	0	110.7	E9	A7-E9 PolarHBondContact O-N 3.42Å
8	P	41.2	Very low	54.1	Low	95 Å²	95	124.6 Å²	124.6	62%	0.617	65%	0.65	S	S	*	*			trans	-82	100.3	-179.4	31.9	-30.3	0	0	0	109.8	D10 V11	P8-D10 PolarHBondContact O-N 3.23Å; P8-D10 VanDerWaalsContact O-N 3.15Å; P8-V11 HydrophobicContact CB-CG2 4.18Å; P8-V11 HydrophobicContact CG-CG2 4.1Å
9	E	45.4	Very low	56.2	Low	181 Å²	181	118.3 Å²	118.3	85%	0.846	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-61.7	-16.5	174.7	-72.5	-173.5	150.9	0	0	113.2	A7 V11	A7-E9 PolarHBondContact O-N 3.42Å; E9-V11 PolarHBondContact O-N 3.04Å
10	D	47.1	Very low	58.1	Low	161 Å²	161	113.5 Å²	113.5	86%	0.861	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-79.1	-9.7	-175.7	-77.9	-28.4	0	0	0	115.6	P8	P8-D10 PolarHBondContact O-N 3.23Å; P8-D10 VanDerWaalsContact O-N 3.15Å
11	V	42.3	Very low	59.9	Low	84 Å²	84	113.6 Å²	113.6	51%	0.509	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-83.7	-13.9	-176.5	-178.4	0	0	0	0	112.7	P8 E9	P8-V11 HydrophobicContact CB-CG2 4.18Å; P8-V11 HydrophobicContact CG-CG2 4.1Å; E9-V11 PolarHBondContact O-N 3.04Å
12	V	45.6	Very low	62.5	Low	118 Å²	118	106.5 Å²	106.5	72%	0.715	55%	0.551	S	S	*	*	S	Bend	trans	-89.7	-8.5	-160.6	-177.2	0	0	0	0	114.9
13	L	53.5	Low	65.3	Low	56 Å²	56	97.8 Å²	97.8	29%	0.293	51%	0.508	S	S	.	.			trans	-128.9	67.7	-179.1	-71.8	163.5	0	0	0	112.9	D18 K22	L13-D18 HydrophobicContact CD2-CB 4.03Å; L13-K22 HydrophobicContact CD1-CD 3.5Å
14	R	62.5	Low	68.1	Low	190 Å²	190	91 Å²	91	72%	0.717	48%	0.478	S	S	*	.			trans	-87.2	-11.9	171.7	-69.3	-169.9	-173.7	178.4	1.8	114.4
15	N	83.3	Confident	70.8	Confident	39 Å²	39	90.5 Å²	90.5	21%	0.209	47%	0.471	C	S	.	.			trans	-94	118.4	-177.3	-178.7	2	0	0	0	110.1	R17 D18 E19	N15-R17 PolarHBondContact O-N 3.42Å; N15-R17 VanDerWaalsContact O-N 3.1Å; N15-R17 PolarHBondContact OD1-N 3.26Å; N15-R17 VanDerWaalsContact OD1-N 3.16Å; N15-D18 HydrophobicContact CB-CB 4.24Å; N15-D18 VanDerWaalsContact CB-OD2 3.24Å; N15-D18 WeakPolarHBondContact CB-OD2 3.38Å; N15-D18 PolarHBondContact ND2-OD2 3.03Å; N15-D18 PolarHBondContact O-N 3.27Å; N15-D18 VanDerWaalsContact O-N 3.08Å; N15-E19 PolarHBondContact O-N 3.43Å
16	V	92.2	Very high	73.5	Confident	1 Å²	1	85.2 Å²	85.2	1%	0.006	45%	0.449	C	S	.	.	H	α-helix	trans	-50.3	-35.2	178.3	-178.9	0	0	0	0	112.3	M20 I261 V264 I266 Y291 I295	V16-M20 WeakPolarHBondContact O-CB 3.33Å; V16-M20 PolarHBondContact O-N 3.4Å; V16-I261 HydrophobicContact CB-CD1 4.39Å; V16-I261 HydrophobicContact CB-CG1 4.44Å; V16-I261 HydrophobicContact CG2-CG1 4.48Å; V16-V264 HydrophobicContact CG2-CB 4.2Å; V16-V264 HydrophobicContact CG2-CG1 4.41Å; V16-V264 WeakPolarHBondContact CG2-O 3.35Å; V16-I266 HydrophobicContact CG1-CG1 4.07Å; V16-I266 HydrophobicContact CG2-CG1 4.37Å; V16-Y291 HydrophobicContact CG1-CD1 3.47Å; V16-Y291 VanDerWaalsContact CG1-CD1 3.47Å; V16-Y291 HydrophobicContact CG1-CE1 3.8Å; V16-Y291 HydrophobicContact CG1-CG 4.41Å; V16-I295 HydrophobicContact CG1-CD1 4.1Å; V16-I295 HydrophobicContact CG1-CG1 3.94Å
17	R	93.2	Very high	76.1	Confident	79 Å²	79	88 Å²	88	30%	0.298	45%	0.45	S	S	.	.	H	α-helix	trans	-68.2	-49.5	178.6	-63.6	-165.7	-170.7	83.7	-1.3	112.3	N15 E19 M20 Q21 I261 I295 D299	N15-R17 PolarHBondContact O-N 3.42Å; N15-R17 VanDerWaalsContact O-N 3.1Å; N15-R17 PolarHBondContact OD1-N 3.26Å; N15-R17 VanDerWaalsContact OD1-N 3.16Å; R17-E19 VanDerWaalsContact C-N 3.27Å; R17-E19 PolarHBondContact O-N 3.47Å; R17-M20 PolarHBondContact O-N 2.94Å; R17-Q21 WeakPolarHBondContact O-CB 3.38Å; R17-Q21 PolarHBondContact O-N 2.88Å; R17-I261 HydrophobicContact CG-CD1 4.36Å; R17-I295 HydrophobicContact CG-CD1 4.11Å; R17-I295 HydrophobicContact CG-CG1 4.06Å; R17-I295 HydrophobicContact CG-CG2 4.08Å; R17-D299 IonicContact CZ-OD1 2.75Å; R17-D299 IonicContact NE-OD1 2.92Å; R17-D299 PolarHBondContact NE-OD1 2.84Å; R17-D299 IonicContact NH2-OD1 2.59Å; R17-D299 PolarHBondContact NH2-OD1 2.93Å
18	D	92.5	Very high	79	Confident	76 Å²	76	85.9 Å²	85.9	41%	0.406	43%	0.427	S	S	.	.	H	α-helix	trans	-66.2	-36.7	-178	-57.8	-27.4	0	0	0	110.4	L13 N15 K22	L13-D18 HydrophobicContact CD2-CB 4.03Å; N15-D18 HydrophobicContact CB-CB 4.24Å; N15-D18 VanDerWaalsContact CB-OD2 3.24Å; N15-D18 WeakPolarHBondContact CB-OD2 3.38Å; N15-D18 PolarHBondContact ND2-OD2 3.03Å; N15-D18 PolarHBondContact O-N 3.27Å; N15-D18 VanDerWaalsContact O-N 3.08Å; D18-K22 WeakPolarHBondContact O-CB 3.24Å; D18-K22 PolarHBondContact O-N 3.09Å
19	E	94	Very high	81.7	Confident	6 Å²	6	82.2 Å²	82.2	3%	0.028	40%	0.401	C	S	.	.	H	α-helix	trans	-62.5	-51.9	173.2	-178.5	172.6	-144.6	0	0	112.1	N15 R17 Q21 K22 F23 K267 Y291	N15-E19 PolarHBondContact O-N 3.43Å; R17-E19 VanDerWaalsContact C-N 3.27Å; R17-E19 PolarHBondContact O-N 3.47Å; E19-Q21 VanDerWaalsContact C-N 3.33Å; E19-Q21 PolarHBondContact O-N 2.74Å; E19-K22 PolarHBondContact O-N 2.95Å; E19-F23 HydrophobicContact CG-CD1 4.43Å; E19-F23 HydrophobicContact CG-CD2 3.89Å; E19-F23 HydrophobicContact CG-CE1 3.87Å; E19-F23 HydrophobicContact CG-CE2 3.24Å; E19-F23 HydrophobicContact CG-CG 4.47Å; E19-F23 HydrophobicContact CG-CZ 3.25Å; E19-F23 WeakPolarHBondContact O-CD1 3.39Å; E19-F23 WeakPolarHBondContact O-CG 3.1Å; E19-F23 PolarHBondContact O-N 3.13Å; E19-F23 WeakPolarHBondContact OE1-CE2 3.47Å; E19-F23 WeakPolarHBondContact OE1-CZ 3.25Å; E19-K267 WeakPolarHBondContact OE1-CD 3.49Å; E19-K267 WeakPolarHBondContact OE1-CE 3.49Å; E19-K267 IonicContact OE1-NZ 2.96Å; E19-K267 PolarHBondContact OE1-NZ 3.23Å; E19-Y291 HydrophobicContact CB-CE1 4.32Å; E19-Y291 HydrophobicContact CG-CE1 4.01Å; E19-Y291 PolarHBondContact OE1-OH 2.96Å; E19-Y291 VanDerWaalsContact OE2-CE1 3.28Å; E19-Y291 WeakPolarHBondContact OE2-CE1 3.23Å; E19-Y291 PolarHBondContact OE2-OH 2.9Å
20	M	95.3	Very high	84.2	Confident	21 Å²	21	79.2 Å²	79.2	10%	0.103	39%	0.39	C	S	.	.	H	α-helix	trans	-58.7	-45.8	177.9	-171.4	-175.1	165.9	0	0	111.3	V16 R17 K22 F23 D24 W29 Y291 R292 I295	V16-M20 WeakPolarHBondContact O-CB 3.33Å; V16-M20 PolarHBondContact O-N 3.4Å; R17-M20 PolarHBondContact O-N 2.94Å; M20-K22 VanDerWaalsContact C-N 3.34Å; M20-K22 PolarHBondContact O-N 3.49Å; M20-F23 PolarHBondContact O-N 3.46Å; M20-D24 WeakPolarHBondContact O-CB 3.4Å; M20-D24 PolarHBondContact O-N 2.99Å; M20-W29 HydrophobicContact CG-CH2 4.19Å; M20-W29 HydrophobicContact CG-CZ2 3.76Å; M20-Y291 HydrophobicContact CB-CD1 3.92Å; M20-Y291 HydrophobicContact CB-CG 4.48Å; M20-Y291 HydrophobicContact CG-CD1 4.48Å; M20-R292 HydrophobicContact CE-CB 3.83Å; M20-R292 HydrophobicContact CE-CG 4.27Å; M20-R292 HydrophobicContact SD-CB 4.36Å; M20-I295 HydrophobicContact CB-CD1 4.03Å; M20-I295 HydrophobicContact CG-CD1 4.4Å; M20-I295 HydrophobicContact SD-CD1 3.52Å; M20-I295 VanDerWaalsContact SD-CD1 3.52Å
21	Q	95.4	Very high	86.6	Confident	116 Å²	116	75.2 Å²	75.2	54%	0.542	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-42	179.8	-173.8	178	12.5	0	0	111.5	R17 E19 D24 N25	R17-Q21 WeakPolarHBondContact O-CB 3.38Å; R17-Q21 PolarHBondContact O-N 2.88Å; E19-Q21 VanDerWaalsContact C-N 3.33Å; E19-Q21 PolarHBondContact O-N 2.74Å; Q21-D24 PolarHBondContact O-N 3.04Å; Q21-N25 VanDerWaalsContact O-CB 3.32Å; Q21-N25 WeakPolarHBondContact O-CB 3.25Å; Q21-N25 PolarHBondContact O-N 3.44Å; Q21-N25 PolarHBondContact O-ND2 2.79Å
22	K	95.8	Very high	89.2	Confident	93 Å²	93	72.1 Å²	72.1	40%	0.404	35%	0.352	S	S	.	.	H	α-helix	trans	-60.5	-47.6	173.7	-178.5	-179.5	177	-177.2	0	111.1	L13 D18 E19 M20 D24 N25 D26	L13-K22 HydrophobicContact CD1-CD 3.5Å; D18-K22 WeakPolarHBondContact O-CB 3.24Å; D18-K22 PolarHBondContact O-N 3.09Å; E19-K22 PolarHBondContact O-N 2.95Å; M20-K22 VanDerWaalsContact C-N 3.34Å; M20-K22 PolarHBondContact O-N 3.49Å; K22-D24 VanDerWaalsContact C-N 3.32Å; K22-D24 PolarHBondContact O-N 2.83Å; K22-N25 PolarHBondContact O-N 2.94Å; K22-D26 WeakPolarHBondContact CG-OD2 3.45Å; K22-D26 WeakPolarHBondContact O-CB 3.37Å; K22-D26 PolarHBondContact O-N 2.93Å
23	F	96.8	Very high	91.7	Very high	8 Å²	8	67.1 Å²	67.1	4%	0.035	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-37.5	-178.4	-63.3	-11.7	0	0	0	112.9	E19 M20 K27 I28 W29 I32	E19-F23 HydrophobicContact CG-CD1 4.43Å; E19-F23 HydrophobicContact CG-CD2 3.89Å; E19-F23 HydrophobicContact CG-CE1 3.87Å; E19-F23 HydrophobicContact CG-CE2 3.24Å; E19-F23 HydrophobicContact CG-CG 4.47Å; E19-F23 HydrophobicContact CG-CZ 3.25Å; E19-F23 WeakPolarHBondContact O-CD1 3.39Å; E19-F23 WeakPolarHBondContact O-CG 3.1Å; E19-F23 PolarHBondContact O-N 3.13Å; E19-F23 WeakPolarHBondContact OE1-CE2 3.47Å; E19-F23 WeakPolarHBondContact OE1-CZ 3.25Å; M20-F23 PolarHBondContact O-N 3.46Å; F23-K27 WeakPolarHBondContact O-CA 3.31Å; F23-K27 PolarHBondContact O-N 3.41Å; F23-I28 HydrophobicContact CB-CG1 4.28Å; F23-I28 HydrophobicContact CD1-CD1 3.78Å; F23-I28 HydrophobicContact CD1-CG1 3.99Å; F23-I28 HydrophobicContact CE1-CD1 4.26Å; F23-I28 HydrophobicContact CG-CG1 4.43Å; F23-I28 PolarHBondContact O-N 3.45Å; F23-I28 VanDerWaalsContact O-N 3.09Å; F23-W29 HydrophobicContact CB-CD2 4.1Å; F23-W29 HydrophobicContact CB-CH2 4.3Å; F23-W29 HydrophobicContact CB-CZ2 3.73Å; F23-W29 HydrophobicContact CD2-CE3 4.25Å; F23-W29 AromaticContact CD2-CH2 3.74Å; F23-W29 HydrophobicContact CD2-CH2 3.74Å; F23-W29 HydrophobicContact CD2-CZ2 4.04Å; F23-W29 AromaticContact CD2-CZ3 3.84Å; F23-W29 HydrophobicContact CD2-CZ3 3.84Å; F23-W29 HydrophobicContact CG-CZ2 4.42Å; F23-I32 HydrophobicContact CD1-CD1 4.36Å; F23-I32 HydrophobicContact CD1-CG1 4.04Å; F23-I32 HydrophobicContact CD2-CG1 4.3Å; F23-I32 HydrophobicContact CE1-CD1 3.74Å; F23-I32 HydrophobicContact CE1-CG1 3.83Å; F23-I32 HydrophobicContact CE2-CG1 4.1Å; F23-I32 HydrophobicContact CE2-CG2 3.87Å; F23-I32 HydrophobicContact CG-CG1 4.26Å; F23-I32 HydrophobicContact CZ-CD1 3.84Å; F23-I32 HydrophobicContact CZ-CG1 3.83Å; F23-I32 HydrophobicContact CZ-CG2 4.05Å
24	D	96.3	Very high	93.9	Very high	49 Å²	49	68 Å²	68	26%	0.262	32%	0.323	S	S	.	.	H	α-helix	trans	-66.7	-48.9	173.7	-83	-11	0	0	0	112	M20 Q21 K22 D26 K27 W29 R288	M20-D24 WeakPolarHBondContact O-CB 3.4Å; M20-D24 PolarHBondContact O-N 2.99Å; Q21-D24 PolarHBondContact O-N 3.04Å; K22-D24 VanDerWaalsContact C-N 3.32Å; K22-D24 PolarHBondContact O-N 2.83Å; D24-D26 PolarHBondContact O-N 3.18Å; D24-K27 PolarHBondContact O-N 3.37Å; D24-W29 PolarHBondContact OD1-NE1 3.39Å; D24-R288 VanDerWaalsContact CG-NH2 3.29Å; D24-R288 IonicContact OD1-CZ 3.32Å; D24-R288 IonicContact OD1-NE 2.72Å; D24-R288 PolarHBondContact OD1-NE 3.46Å; D24-R288 IonicContact OD1-NH2 3.11Å; D24-R288 PolarHBondContact OD1-NH2 3.06Å; D24-R288 VanDerWaalsContact OD1-NH2 3.11Å; D24-R288 IonicContact OD2-CZ 3.72Å; D24-R288 IonicContact OD2-NE 3.72Å; D24-R288 IonicContact OD2-NH2 2.85Å; D24-R288 PolarHBondContact OD2-NH2 3.46Å
25	N	96.6	Very high	95.6	Very high	113 Å²	113	64.3 Å²	64.3	60%	0.604	31%	0.314	S	S	*	.	H	α-helix	trans	-62	-43.8	-179.5	-72.6	-16.4	0	0	0	112	Q21 K22 K27	Q21-N25 VanDerWaalsContact O-CB 3.32Å; Q21-N25 WeakPolarHBondContact O-CB 3.25Å; Q21-N25 PolarHBondContact O-N 3.44Å; Q21-N25 PolarHBondContact O-ND2 2.79Å; K22-N25 PolarHBondContact O-N 2.94Å; N25-K27 VanDerWaalsContact C-N 3.31Å
26	D	96.9	Very high	96.3	Very high	90 Å²	90	63 Å²	63	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-83	-9.7	-177.9	-62	-17.1	0	0	0	112.2	K22 D24 I28	K22-D26 WeakPolarHBondContact CG-OD2 3.45Å; K22-D26 WeakPolarHBondContact O-CB 3.37Å; K22-D26 PolarHBondContact O-N 2.93Å; D24-D26 PolarHBondContact O-N 3.18Å; D26-I28 VanDerWaalsContact C-N 3.34Å; D26-I28 HydrophobicContact CB-CD1 4.07Å; D26-I28 HydrophobicContact CB-CG1 4Å; D26-I28 HydrophobicContact CB-CG2 3.88Å; D26-I28 WeakPolarHBondContact O-CG2 3.4Å; D26-I28 PolarHBondContact O-N 2.91Å
27	K	96.1	Very high	96.5	Very high	185 Å²	185	66.4 Å²	66.4	80%	0.804	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	42.6	-176.2	-58.2	-177.4	179.3	-177.8	0	113.7	F23 D24 N25	F23-K27 WeakPolarHBondContact O-CA 3.31Å; F23-K27 PolarHBondContact O-N 3.41Å; D24-K27 PolarHBondContact O-N 3.37Å; N25-K27 VanDerWaalsContact C-N 3.31Å
28	I	97.3	Very high	96.7	Very high	43 Å²	43	67.1 Å²	67.1	22%	0.221	33%	0.331	C	S	.	.			trans	-105.9	13	-171	58	174.6	0	0	0	115	F23 D26 N30 V31 I32	F23-I28 HydrophobicContact CB-CG1 4.28Å; F23-I28 HydrophobicContact CD1-CD1 3.78Å; F23-I28 HydrophobicContact CD1-CG1 3.99Å; F23-I28 HydrophobicContact CE1-CD1 4.26Å; F23-I28 HydrophobicContact CG-CG1 4.43Å; F23-I28 PolarHBondContact O-N 3.45Å; F23-I28 VanDerWaalsContact O-N 3.09Å; D26-I28 VanDerWaalsContact C-N 3.34Å; D26-I28 HydrophobicContact CB-CD1 4.07Å; D26-I28 HydrophobicContact CB-CG1 4Å; D26-I28 HydrophobicContact CB-CG2 3.88Å; D26-I28 WeakPolarHBondContact O-CG2 3.4Å; D26-I28 PolarHBondContact O-N 2.91Å; I28-N30 VanDerWaalsContact C-N 3.31Å; I28-N30 PolarHBondContact O-N 3.5Å; I28-V31 HydrophobicContact CB-CB 4.34Å; I28-V31 WeakPolarHBondContact O-CA 3.29Å; I28-V31 WeakPolarHBondContact O-CB 3.48Å; I28-V31 PolarHBondContact O-N 3.47Å; I28-I32 HydrophobicContact CD1-CD1 4.18Å; I28-I32 HydrophobicContact CD1-CG1 4.19Å; I28-I32 HydrophobicContact CG1-CG1 4.11Å; I28-I32 WeakPolarHBondContact O-CG1 3.19Å; I28-I32 PolarHBondContact O-N 3.2Å
29	W	97.7	Very high	97	Very high	18 Å²	18	69.2 Å²	69.2	7%	0.068	34%	0.337	C	S	.	.	H	α-helix	trans	-52.9	-43.8	-178.4	-77	103.7	0	0	0	114.3	M20 F23 D24 V31 I32 Y33 A284 L287 R288 Y291	M20-W29 HydrophobicContact CG-CH2 4.19Å; M20-W29 HydrophobicContact CG-CZ2 3.76Å; F23-W29 HydrophobicContact CB-CD2 4.1Å; F23-W29 HydrophobicContact CB-CH2 4.3Å; F23-W29 HydrophobicContact CB-CZ2 3.73Å; F23-W29 HydrophobicContact CD2-CE3 4.25Å; F23-W29 AromaticContact CD2-CH2 3.74Å; F23-W29 HydrophobicContact CD2-CH2 3.74Å; F23-W29 HydrophobicContact CD2-CZ2 4.04Å; F23-W29 AromaticContact CD2-CZ3 3.84Å; F23-W29 HydrophobicContact CD2-CZ3 3.84Å; F23-W29 HydrophobicContact CG-CZ2 4.42Å; D24-W29 PolarHBondContact OD1-NE1 3.39Å; W29-V31 VanDerWaalsContact C-N 3.32Å; W29-V31 PolarHBondContact O-N 2.99Å; W29-I32 PolarHBondContact O-N 3.49Å; W29-Y33 VanDerWaalsContact O-CB 3.3Å; W29-Y33 WeakPolarHBondContact O-CB 3.36Å; W29-Y33 PolarHBondContact O-N 3.47Å; W29-A284 HydrophobicContact CB-CB 4.14Å; W29-L287 HydrophobicContact CE3-CG 4.48Å; W29-L287 HydrophobicContact CZ3-CD2 4.45Å; W29-L287 HydrophobicContact CZ3-CG 4.13Å; W29-R288 HydrophobicContact CD2-CB 3.71Å; W29-R288 HydrophobicContact CD2-CG 3.97Å; W29-R288 HydrophobicContact CE3-CB 3.78Å; W29-R288 HydrophobicContact CE3-CG 4.42Å; W29-R288 HydrophobicContact CG-CB 4.34Å; W29-R288 HydrophobicContact CH2-CB 4.05Å; W29-R288 HydrophobicContact CH2-CG 4.12Å; W29-R288 HydrophobicContact CZ2-CB 3.99Å; W29-R288 HydrophobicContact CZ2-CG 3.62Å; W29-R288 HydrophobicContact CZ3-CB 3.95Å; W29-R288 HydrophobicContact CZ3-CG 4.49Å; W29-Y291 HydrophobicContact CH2-CD1 4.33Å; W29-Y291 AromaticContact CH2-CD2 3.65Å; W29-Y291 HydrophobicContact CH2-CD2 3.65Å; W29-Y291 HydrophobicContact CH2-CE2 4.15Å; W29-Y291 AromaticContact CH2-CG 3.76Å; W29-Y291 HydrophobicContact CH2-CG 3.76Å; W29-Y291 AromaticContact CZ3-CD2 3.8Å; W29-Y291 HydrophobicContact CZ3-CD2 3.8Å; W29-Y291 HydrophobicContact CZ3-CE2 4.04Å; W29-Y291 HydrophobicContact CZ3-CG 4.38Å
30	N	97.7	Very high	97.1	Very high	118 Å²	118	69.1 Å²	69.1	63%	0.631	34%	0.337	S	S	*	.	H	α-helix	trans	-63.1	-39.3	176.6	-72.5	-42.2	0	0	0	112.1	I28 E34 A284	I28-N30 VanDerWaalsContact C-N 3.31Å; I28-N30 PolarHBondContact O-N 3.5Å; N30-E34 WeakPolarHBondContact O-CB 3.4Å; N30-E34 WeakPolarHBondContact O-CG 3.33Å; N30-E34 PolarHBondContact O-N 3.34Å; N30-A284 VanDerWaalsContact OD1-CB 3.24Å; N30-A284 WeakPolarHBondContact OD1-CB 3.14Å
31	V	97.7	Very high	97.1	Very high	77 Å²	77	72.4 Å²	72.4	47%	0.467	36%	0.358	S	S	.	.	H	α-helix	trans	-66	-47.5	177.8	179.7	0	0	0	0	110.4	I28 W29 E34 Q35	I28-V31 HydrophobicContact CB-CB 4.34Å; I28-V31 WeakPolarHBondContact O-CA 3.29Å; I28-V31 WeakPolarHBondContact O-CB 3.48Å; I28-V31 PolarHBondContact O-N 3.47Å; W29-V31 VanDerWaalsContact C-N 3.32Å; W29-V31 PolarHBondContact O-N 2.99Å; V31-E34 PolarHBondContact O-N 2.91Å; V31-Q35 HydrophobicContact CG1-CG 4.46Å; V31-Q35 WeakPolarHBondContact O-CB 3.38Å; V31-Q35 VanDerWaalsContact O-CG 3.24Å; V31-Q35 WeakPolarHBondContact O-CG 3.21Å; V31-Q35 PolarHBondContact O-N 3.2Å
32	I	97.4	Very high	97.2	Very high	18 Å²	18	71.3 Å²	71.3	9%	0.092	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-44.6	178.2	-62.3	-59.6	0	0	0	110.9	F23 I28 W29 Q35 L36 L287	F23-I32 HydrophobicContact CD1-CD1 4.36Å; F23-I32 HydrophobicContact CD1-CG1 4.04Å; F23-I32 HydrophobicContact CD2-CG1 4.3Å; F23-I32 HydrophobicContact CE1-CD1 3.74Å; F23-I32 HydrophobicContact CE1-CG1 3.83Å; F23-I32 HydrophobicContact CE2-CG1 4.1Å; F23-I32 HydrophobicContact CE2-CG2 3.87Å; F23-I32 HydrophobicContact CG-CG1 4.26Å; F23-I32 HydrophobicContact CZ-CD1 3.84Å; F23-I32 HydrophobicContact CZ-CG1 3.83Å; F23-I32 HydrophobicContact CZ-CG2 4.05Å; I28-I32 HydrophobicContact CD1-CD1 4.18Å; I28-I32 HydrophobicContact CD1-CG1 4.19Å; I28-I32 HydrophobicContact CG1-CG1 4.11Å; I28-I32 WeakPolarHBondContact O-CG1 3.19Å; I28-I32 PolarHBondContact O-N 3.2Å; W29-I32 PolarHBondContact O-N 3.49Å; I32-Q35 PolarHBondContact O-N 3.23Å; I32-L36 HydrophobicContact CG2-CD1 3.95Å; I32-L36 HydrophobicContact CG2-CG 4.43Å; I32-L36 VanDerWaalsContact O-CG 3.32Å; I32-L36 WeakPolarHBondContact O-CG 3.4Å; I32-L36 PolarHBondContact O-N 3.42Å; I32-L287 HydrophobicContact CG2-CD2 4.47Å
33	Y	98.3	Very high	97.2	Very high	13 Å²	13	71.3 Å²	71.3	5%	0.051	36%	0.363	C	S	.	.	H	α-helix	trans	-59	-49.8	177.4	177	-99.1	0	0	0	111.8	W29 Q35 L36 K37 F270 R274 I281 Q282 A284 L287	W29-Y33 VanDerWaalsContact O-CB 3.3Å; W29-Y33 WeakPolarHBondContact O-CB 3.36Å; W29-Y33 PolarHBondContact O-N 3.47Å; Y33-Q35 PolarHBondContact O-N 3.27Å; Y33-L36 PolarHBondContact O-N 3.06Å; Y33-K37 HydrophobicContact CE1-CD 3.95Å; Y33-K37 VanDerWaalsContact O-CB 3.29Å; Y33-K37 WeakPolarHBondContact O-CB 3.32Å; Y33-K37 PolarHBondContact O-N 3.38Å; Y33-F270 HydrophobicContact CD2-CE2 4.38Å; Y33-F270 HydrophobicContact CD2-CZ 4.47Å; Y33-F270 HydrophobicContact CE2-CE2 4.07Å; Y33-F270 HydrophobicContact CE2-CZ 4.13Å; Y33-R274 PolarHBondContact OH-NH2 3.47Å; Y33-I281 HydrophobicContact CE2-CG2 4.2Å; Y33-I281 WeakPolarHBondContact CE2-O 3.39Å; Y33-I281 PolarHBondContact OH-O 3.24Å; Y33-Q282 WeakPolarHBondContact OH-CA 3.47Å; Y33-Q282 PolarHBondContact OH-O 3.05Å; Y33-Q282 VanDerWaalsContact OH-O 3.07Å; Y33-A284 HydrophobicContact CG-CB 4.19Å; Y33-L287 HydrophobicContact CD2-CB 4.47Å; Y33-L287 HydrophobicContact CD2-CD2 4.38Å
34	E	98.2	Very high	97.1	Very high	74 Å²	74	71.9 Å²	71.9	35%	0.346	37%	0.367	S	S	.	.	H	α-helix	trans	-65.8	-36.8	178.9	-74	-59.5	137.5	0	0	112.2	N30 V31 K37 N38	N30-E34 WeakPolarHBondContact O-CB 3.4Å; N30-E34 WeakPolarHBondContact O-CG 3.33Å; N30-E34 PolarHBondContact O-N 3.34Å; V31-E34 PolarHBondContact O-N 2.91Å; E34-K37 PolarHBondContact O-N 3.1Å; E34-K37 IonicContact OE1-NZ 2.73Å; E34-K37 PolarHBondContact OE1-NZ 3.27Å; E34-K37 IonicContact OE2-NZ 3.25Å; E34-K37 PolarHBondContact OE2-NZ 3.43Å; E34-N38 WeakPolarHBondContact O-CB 3.36Å; E34-N38 PolarHBondContact O-N 2.71Å; E34-N38 PolarHBondContact O-ND2 2.93Å
35	Q	98	Very high	96.9	Very high	114 Å²	114	76.2 Å²	76.2	53%	0.533	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-47.4	172.9	-76.5	174.7	-5.2	0	0	112	V31 I32 Y33 N38 K39	V31-Q35 HydrophobicContact CG1-CG 4.46Å; V31-Q35 WeakPolarHBondContact O-CB 3.38Å; V31-Q35 VanDerWaalsContact O-CG 3.24Å; V31-Q35 WeakPolarHBondContact O-CG 3.21Å; V31-Q35 PolarHBondContact O-N 3.2Å; I32-Q35 PolarHBondContact O-N 3.23Å; Y33-Q35 PolarHBondContact O-N 3.27Å; Q35-N38 PolarHBondContact O-N 2.92Å; Q35-K39 WeakPolarHBondContact O-CB 3.28Å; Q35-K39 PolarHBondContact O-N 3.09Å
36	L	98.1	Very high	96.7	Very high	12 Å²	12	77.8 Å²	77.8	6%	0.063	39%	0.393	C	S	.	.	H	α-helix	trans	-66.4	-40	178.3	-68.7	170.8	0	0	0	111.9	I32 Y33 K39 S40 K267 F270 L271 L287	I32-L36 HydrophobicContact CG2-CD1 3.95Å; I32-L36 HydrophobicContact CG2-CG 4.43Å; I32-L36 VanDerWaalsContact O-CG 3.32Å; I32-L36 WeakPolarHBondContact O-CG 3.4Å; I32-L36 PolarHBondContact O-N 3.42Å; Y33-L36 PolarHBondContact O-N 3.06Å; L36-K39 PolarHBondContact O-N 3.06Å; L36-S40 WeakPolarHBondContact O-CB 3.2Å; L36-S40 PolarHBondContact O-N 3.41Å; L36-K267 HydrophobicContact CD1-CB 4.34Å; L36-K267 HydrophobicContact CD1-CG 4.01Å; L36-K267 HydrophobicContact CD2-CB 3.85Å; L36-K267 HydrophobicContact CD2-CD 4.28Å; L36-K267 HydrophobicContact CD2-CG 4.14Å; L36-F270 HydrophobicContact CB-CD1 3.92Å; L36-F270 HydrophobicContact CB-CE1 3.59Å; L36-F270 HydrophobicContact CB-CZ 4.2Å; L36-F270 HydrophobicContact CD1-CD1 4.44Å; L36-L271 HydrophobicContact CD2-CD1 4.28Å; L36-L271 HydrophobicContact CD2-CD2 4.41Å; L36-L271 HydrophobicContact CD2-CG 4.32Å; L36-L287 HydrophobicContact CD1-CD2 3.8Å
37	K	97.6	Very high	96.7	Very high	72 Å²	72	75.2 Å²	75.2	31%	0.313	38%	0.383	S	S	.	.	H	α-helix	trans	-59.9	-51	174.7	174.4	178.3	162.7	-149.7	0	110.9	Y33 E34 K39 S40 T41	Y33-K37 HydrophobicContact CE1-CD 3.95Å; Y33-K37 VanDerWaalsContact O-CB 3.29Å; Y33-K37 WeakPolarHBondContact O-CB 3.32Å; Y33-K37 PolarHBondContact O-N 3.38Å; E34-K37 PolarHBondContact O-N 3.1Å; E34-K37 IonicContact OE1-NZ 2.73Å; E34-K37 PolarHBondContact OE1-NZ 3.27Å; E34-K37 IonicContact OE2-NZ 3.25Å; E34-K37 PolarHBondContact OE2-NZ 3.43Å; K37-K39 PolarHBondContact O-N 3.18Å; K37-S40 PolarHBondContact O-N 3.34Å; K37-S40 VanDerWaalsContact O-N 3.14Å; K37-S40 PolarHBondContact O-OG 3.21Å; K37-T41 PolarHBondContact O-N 3.26Å; K37-T41 PolarHBondContact O-OG1 3.47Å; K37-T41 VanDerWaalsContact O-OG1 3.14Å
38	N	97.6	Very high	96.8	Very high	93 Å²	93	68.4 Å²	68.4	50%	0.497	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-43.5	177.4	-70.6	-24.3	0	0	0	112	E34 Q35 S40 T41 V42	E34-N38 WeakPolarHBondContact O-CB 3.36Å; E34-N38 PolarHBondContact O-N 2.71Å; E34-N38 PolarHBondContact O-ND2 2.93Å; Q35-N38 PolarHBondContact O-N 2.92Å; N38-S40 VanDerWaalsContact C-N 3.32Å; N38-S40 PolarHBondContact O-N 3.09Å; N38-T41 WeakPolarHBondContact O-CB 3.22Å; N38-T41 PolarHBondContact O-N 3.31Å; N38-V42 WeakPolarHBondContact O-CG2 3.5Å; N38-V42 PolarHBondContact O-N 3.21Å; N38-V42 VanDerWaalsContact O-N 3.07Å
39	K	97.9	Very high	96.8	Very high	120 Å²	120	68.1 Å²	68.1	52%	0.522	36%	0.358	S	S	.	.	H	α-helix	trans	-58.5	-44	174.4	-174.2	173	178.9	-177.7	0	111.5	Q35 L36 K37 T41 V42 L43 L271	Q35-K39 WeakPolarHBondContact O-CB 3.28Å; Q35-K39 PolarHBondContact O-N 3.09Å; L36-K39 PolarHBondContact O-N 3.06Å; K37-K39 PolarHBondContact O-N 3.18Å; K39-T41 VanDerWaalsContact C-N 3.34Å; K39-T41 PolarHBondContact O-N 3.33Å; K39-V42 PolarHBondContact O-N 3.15Å; K39-L43 HydrophobicContact CG-CD1 4.18Å; K39-L43 VanDerWaalsContact O-CG 3.29Å; K39-L43 WeakPolarHBondContact O-CG 3.3Å; K39-L43 PolarHBondContact O-N 3.48Å; K39-L271 HydrophobicContact CB-CD2 4.21Å; K39-L271 HydrophobicContact CD-CD1 3.81Å; K39-L271 HydrophobicContact CD-CD2 4.28Å; K39-L271 HydrophobicContact CG-CD1 4.45Å; K39-L271 HydrophobicContact CG-CD2 4.13Å
40	S	97.2	Very high	96.7	Very high	5 Å²	5	72.4 Å²	72.4	4%	0.035	38%	0.383	C	S	.	.	H	α-helix	trans	-63.3	-37.6	176.6	75.7	0	0	0	0	112.8	L36 K37 N38 L43 N44 R274	L36-S40 WeakPolarHBondContact O-CB 3.2Å; L36-S40 PolarHBondContact O-N 3.41Å; K37-S40 PolarHBondContact O-N 3.34Å; K37-S40 VanDerWaalsContact O-N 3.14Å; K37-S40 PolarHBondContact O-OG 3.21Å; N38-S40 VanDerWaalsContact C-N 3.32Å; N38-S40 PolarHBondContact O-N 3.09Å; S40-L43 PolarHBondContact O-N 3.03Å; S40-N44 WeakPolarHBondContact O-CB 3.41Å; S40-N44 PolarHBondContact O-N 2.86Å; S40-N44 PolarHBondContact O-ND2 3.42Å; S40-R274 VanDerWaalsContact CB-CD 3.47Å; S40-R274 VanDerWaalsContact OG-CD 3.23Å; S40-R274 WeakPolarHBondContact OG-CD 3.25Å; S40-R274 PolarHBondContact OG-NH1 2.81Å; S40-R274 VanDerWaalsContact OG-NH1 3.08Å
41	T	95.3	Very high	96.7	Very high	89 Å²	89	67.5 Å²	67.5	55%	0.546	36%	0.358	S	S	.	.	H	α-helix	trans	-63	-45.2	176.2	-56.5	0	0	0	0	111.1	K37 N38 K39 N44 Q45	K37-T41 PolarHBondContact O-N 3.26Å; K37-T41 PolarHBondContact O-OG1 3.47Å; K37-T41 VanDerWaalsContact O-OG1 3.14Å; N38-T41 WeakPolarHBondContact O-CB 3.22Å; N38-T41 PolarHBondContact O-N 3.31Å; K39-T41 VanDerWaalsContact C-N 3.34Å; K39-T41 PolarHBondContact O-N 3.33Å; T41-N44 CarbonylContact O-C 3.52Å; T41-N44 PolarHBondContact O-N 2.94Å; T41-Q45 PolarHBondContact O-N 3.02Å; T41-Q45 VanDerWaalsContact O-N 3.09Å
42	V	96.5	Very high	96.7	Very high	94 Å²	94	63.9 Å²	63.9	57%	0.57	34%	0.337	S	S	*	.	H	α-helix	trans	-63.8	-43.3	177.1	175.7	0	0	0	0	111.3	N38 K39 N44 Q45	N38-V42 WeakPolarHBondContact O-CG2 3.5Å; N38-V42 PolarHBondContact O-N 3.21Å; N38-V42 VanDerWaalsContact O-N 3.07Å; K39-V42 PolarHBondContact O-N 3.15Å; V42-N44 VanDerWaalsContact C-N 3.25Å; V42-N44 PolarHBondContact O-N 3.29Å; V42-Q45 VanDerWaalsContact O-CG 3.29Å; V42-Q45 WeakPolarHBondContact O-CG 3.48Å; V42-Q45 PolarHBondContact O-N 3.41Å
43	L	95.3	Very high	96.7	Very high	92 Å²	92	66.2 Å²	66.2	48%	0.482	35%	0.352	S	S	.	.	H	α-helix	trans	-62.9	-32.1	178.6	-71.6	172.4	0	0	0	112.9	K39 S40 L271	K39-L43 HydrophobicContact CG-CD1 4.18Å; K39-L43 VanDerWaalsContact O-CG 3.29Å; K39-L43 WeakPolarHBondContact O-CG 3.3Å; K39-L43 PolarHBondContact O-N 3.48Å; S40-L43 PolarHBondContact O-N 3.03Å; L43-L271 HydrophobicContact CD1-CD2 4.33Å
44	N	95	Very high	96.6	Very high	21 Å²	21	68.3 Å²	68.3	11%	0.112	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	11	-176.6	-65.7	-46.9	0	0	0	114	S40 T41 V42 N46 S47 F69 R274 K275	S40-N44 WeakPolarHBondContact O-CB 3.41Å; S40-N44 PolarHBondContact O-N 2.86Å; S40-N44 PolarHBondContact O-ND2 3.42Å; T41-N44 CarbonylContact O-C 3.52Å; T41-N44 PolarHBondContact O-N 2.94Å; V42-N44 VanDerWaalsContact C-N 3.25Å; V42-N44 PolarHBondContact O-N 3.29Å; N44-N46 PolarHBondContact O-N 3.14Å; N44-S47 WeakPolarHBondContact O-CB 3.47Å; N44-S47 PolarHBondContact O-N 3.44Å; N44-F69 HydrophobicContact CB-CZ 4.04Å; N44-R274 PolarHBondContact ND2-O 3.21Å; N44-K275 WeakPolarHBondContact OD1-CA 3.23Å
45	Q	92.3	Very high	96.5	Very high	140 Å²	140	69.8 Å²	69.8	65%	0.654	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.8	-175.5	70.7	-176	11.4	0	0	113.9	T41 V42	T41-Q45 PolarHBondContact O-N 3.02Å; T41-Q45 VanDerWaalsContact O-N 3.09Å; V42-Q45 VanDerWaalsContact O-CG 3.29Å; V42-Q45 WeakPolarHBondContact O-CG 3.48Å; V42-Q45 PolarHBondContact O-N 3.41Å
46	N	93.6	Very high	96.4	Very high	145 Å²	145	70 Å²	70	78%	0.775	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-1.6	179.3	-64.4	-24.5	0	0	0	113.1	N44 S48	N44-N46 PolarHBondContact O-N 3.14Å; N46-S48 PolarHBondContact O-N 3.46Å
47	S	95.8	Very high	96.4	Very high	37 Å²	37	69.5 Å²	69.5	26%	0.259	37%	0.374	S	S	.	.			trans	-79.2	116.4	179.4	-63.4	0	0	0	0	109.6	N44	N44-S47 WeakPolarHBondContact O-CB 3.47Å; N44-S47 PolarHBondContact O-N 3.44Å
48	S	97.3	Very high	96.2	Very high	42 Å²	42	73.7 Å²	73.7	29%	0.294	39%	0.388	S	S	.	.			trans	-75.2	153.8	179.3	-167.7	0	0	0	0	113	N46 D50 F69 D70	N46-S48 PolarHBondContact O-N 3.46Å; S48-D50 PolarHBondContact OG-N 2.86Å; S48-D50 PolarHBondContact OG-OD1 2.82Å; S48-D50 PolarHBondContact OG-OD2 3.29Å; S48-F69 CarbonylContact O-C 3.56Å; S48-F69 WeakPolarHBondContact O-CA 3.47Å; S48-D70 VanDerWaalsContact C-OD2 3.31Å; S48-D70 WeakPolarHBondContact CB-OD2 3.32Å; S48-D70 PolarHBondContact O-N 3.31Å; S48-D70 PolarHBondContact OG-OD2 2.87Å
49	V	97.3	Very high	96.1	Very high	36 Å²	36	74.7 Å²	74.7	22%	0.218	39%	0.385	C	S	.	.			trans	-133	25.5	173.6	-64	0	0	0	0	110.7	A51 A52 T53 F69 D70 M278	V49-A51 VanDerWaalsContact C-N 3.33Å; V49-A51 PolarHBondContact O-N 2.95Å; V49-A52 WeakPolarHBondContact O-CB 3.31Å; V49-A52 PolarHBondContact O-N 2.81Å; V49-T53 HydrophobicContact CG2-CG2 3.95Å; V49-T53 WeakPolarHBondContact O-CG2 3.31Å; V49-T53 PolarHBondContact O-N 2.68Å; V49-T53 VanDerWaalsContact O-N 3.12Å; V49-T53 PolarHBondContact O-OG1 3.28Å; V49-F69 HydrophobicContact CG1-CD1 3.8Å; V49-F69 HydrophobicContact CG1-CE1 4.34Å; V49-D70 PolarHBondContact N-OD2 3.45Å; V49-M278 HydrophobicContact CG1-CE 3.73Å
50	D	97.5	Very high	96.1	Very high	109 Å²	109	69.1 Å²	69.1	58%	0.583	36%	0.361	S	S	*	.	H	α-helix	trans	-58	-44.4	-172	-67.1	-33.1	0	0	0	111.3	S48 A52 T53 D54 D70	S48-D50 PolarHBondContact OG-N 2.86Å; S48-D50 PolarHBondContact OG-OD1 2.82Å; S48-D50 PolarHBondContact OG-OD2 3.29Å; D50-A52 PolarHBondContact O-N 3.46Å; D50-T53 PolarHBondContact O-N 2.9Å; D50-T53 VanDerWaalsContact O-N 3.13Å; D50-T53 PolarHBondContact O-OG1 2.89Å; D50-T53 VanDerWaalsContact O-OG1 3.13Å; D50-D54 PolarHBondContact O-N 3.21Å; D50-D70 PolarHBondContact N-OD2 3.4Å
51	A	97.5	Very high	96.2	Very high	14 Å²	14	69.9 Å²	69.9	12%	0.116	37%	0.365	C	S	.	.	H	α-helix	trans	-61.7	-34	179.2	0	0	0	0	0	112.1	V49 N57 D70 Y84	V49-A51 VanDerWaalsContact C-N 3.33Å; V49-A51 PolarHBondContact O-N 2.95Å; A51-N57 VanDerWaalsContact O-CB 3.28Å; A51-N57 WeakPolarHBondContact O-CB 3.49Å; A51-N57 PolarHBondContact O-ND2 3.46Å; A51-D70 WeakPolarHBondContact CB-OD1 3.49Å; A51-D70 PolarHBondContact N-OD1 3.23Å; A51-Y84 HydrophobicContact CB-CD2 4.03Å; A51-Y84 HydrophobicContact CB-CE2 4.47Å
52	A	97.8	Very high	96.3	Very high	1 Å²	1	68 Å²	68	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-74.9	-29.9	178.7	0	0	0	0	0	113	V49 D50 N61 S67 Y84	V49-A52 WeakPolarHBondContact O-CB 3.31Å; V49-A52 PolarHBondContact O-N 2.81Å; D50-A52 PolarHBondContact O-N 3.46Å; A52-N61 PolarHBondContact O-ND2 2.85Å; A52-S67 WeakPolarHBondContact CB-OG 3.4Å; A52-Y84 VanDerWaalsContact CA-CE2 3.47Å; A52-Y84 HydrophobicContact CB-CE2 3.74Å; A52-Y84 WeakPolarHBondContact CB-OH 3.3Å
53	T	96.2	Very high	96.3	Very high	67 Å²	67	66.4 Å²	66.4	41%	0.411	33%	0.332	S	S	.	.	H	α-helix	trans	-91.4	-16.4	-177.1	61.6	0	0	0	0	113.9	V49 D50 V55 R58	V49-T53 HydrophobicContact CG2-CG2 3.95Å; V49-T53 WeakPolarHBondContact O-CG2 3.31Å; V49-T53 PolarHBondContact O-N 2.68Å; V49-T53 VanDerWaalsContact O-N 3.12Å; V49-T53 PolarHBondContact O-OG1 3.28Å; D50-T53 PolarHBondContact O-N 2.9Å; D50-T53 VanDerWaalsContact O-N 3.13Å; D50-T53 PolarHBondContact O-OG1 2.89Å; D50-T53 VanDerWaalsContact O-OG1 3.13Å; T53-V55 PolarHBondContact O-N 3.48Å; T53-R58 PolarHBondContact O-NE 3.41Å
54	D	96.8	Very high	96.3	Very high	57 Å²	57	71.9 Å²	71.9	31%	0.305	35%	0.346	S	S	.	.	S	Bend	trans	-48.3	130.1	171.7	-173.5	-29.7	0	0	0	110.6	D50 K56 N57 R58	D50-D54 PolarHBondContact O-N 3.21Å; D54-K56 PolarHBondContact O-N 2.97Å; D54-K56 VanDerWaalsContact O-N 3.1Å; D54-K56 WeakPolarHBondContact OD1-CG 3.4Å; D54-K56 PolarHBondContact OD1-N 2.98Å; D54-K56 WeakPolarHBondContact OD2-CD 3.43Å; D54-K56 VanDerWaalsContact OD2-CE 3.24Å; D54-K56 WeakPolarHBondContact OD2-CE 3.35Å; D54-K56 IonicContact OD2-NZ 2.8Å; D54-K56 PolarHBondContact OD2-NZ 2.86Å; D54-N57 PolarHBondContact O-N 3.03Å; D54-R58 WeakPolarHBondContact O-CG 3.24Å; D54-R58 PolarHBondContact O-N 2.89Å; D54-R58 VanDerWaalsContact O-N 3.12Å
55	V	95.8	Very high	96.3	Very high	106 Å²	106	76.8 Å²	76.8	64%	0.642	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-38.4	-178.9	179.4	0	0	0	0	111.5	T53 N57	T53-V55 PolarHBondContact O-N 3.48Å; V55-N57 PolarHBondContact O-N 3.21Å
56	K	95.8	Very high	96.5	Very high	118 Å²	118	70.5 Å²	70.5	51%	0.513	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.1	-179.9	83.8	-163.7	-177.6	-132.3	0	114.1	D54 W59	D54-K56 PolarHBondContact O-N 2.97Å; D54-K56 VanDerWaalsContact O-N 3.1Å; D54-K56 WeakPolarHBondContact OD1-CG 3.4Å; D54-K56 PolarHBondContact OD1-N 2.98Å; D54-K56 WeakPolarHBondContact OD2-CD 3.43Å; D54-K56 VanDerWaalsContact OD2-CE 3.24Å; D54-K56 WeakPolarHBondContact OD2-CE 3.35Å; D54-K56 IonicContact OD2-NZ 2.8Å; D54-K56 PolarHBondContact OD2-NZ 2.86Å; K56-W59 VanDerWaalsContact O-CD1 3.26Å; K56-W59 PolarHBondContact O-NE1 3.26Å
57	N	97.6	Very high	96.7	Very high	1 Å²	1	64 Å²	64	1%	0.005	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-12.3	-177.1	-72	-30.4	0	0	0	113.2	A51 D54 V55 W59 K60 Y84	A51-N57 VanDerWaalsContact O-CB 3.28Å; A51-N57 WeakPolarHBondContact O-CB 3.49Å; A51-N57 PolarHBondContact O-ND2 3.46Å; D54-N57 PolarHBondContact O-N 3.03Å; V55-N57 PolarHBondContact O-N 3.21Å; N57-W59 PolarHBondContact O-N 3.17Å; N57-W59 VanDerWaalsContact O-N 3.12Å; N57-K60 WeakPolarHBondContact O-CA 3.3Å; N57-K60 VanDerWaalsContact O-CB 3.28Å; N57-K60 WeakPolarHBondContact O-CB 3.46Å; N57-K60 PolarHBondContact O-N 3.04Å; N57-Y84 HydrophobicContact CB-CD1 3.69Å; N57-Y84 HydrophobicContact CB-CE1 4.1Å; N57-Y84 HydrophobicContact CB-CG 3.96Å; N57-Y84 VanDerWaalsContact CG-CB 3.48Å; N57-Y84 WeakPolarHBondContact ND2-CB 3.48Å; N57-Y84 WeakPolarHBondContact OD1-CB 3.4Å
58	R	94.9	Very high	96.9	Very high	160 Å²	160	62.2 Å²	62.2	60%	0.604	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-52.7	-38	-179.3	-70.2	-178.9	-175.8	-176.6	-1.3	113.4	T53 D54 K60 N61	T53-R58 PolarHBondContact O-NE 3.41Å; D54-R58 WeakPolarHBondContact O-CG 3.24Å; D54-R58 PolarHBondContact O-N 2.89Å; D54-R58 VanDerWaalsContact O-N 3.12Å; R58-K60 PolarHBondContact O-N 3.32Å; R58-N61 PolarHBondContact O-N 3.05Å
59	W	95	Very high	96.9	Very high	114 Å²	114	60.7 Å²	60.7	43%	0.432	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-71.9	-11.5	178.4	66.3	-88.8	0	0	0	114	K56 N57 D81 M107 Q109	K56-W59 VanDerWaalsContact O-CD1 3.26Å; K56-W59 PolarHBondContact O-NE1 3.26Å; N57-W59 PolarHBondContact O-N 3.17Å; N57-W59 VanDerWaalsContact O-N 3.12Å; W59-D81 VanDerWaalsContact CH2-OD2 3.26Å; W59-D81 WeakPolarHBondContact CH2-OD2 3.41Å; W59-D81 VanDerWaalsContact CZ2-OD2 3.25Å; W59-D81 WeakPolarHBondContact CZ2-OD2 3.45Å; W59-M107 VanDerWaalsContact O-CE 3.25Å; W59-M107 WeakPolarHBondContact O-CE 3.47Å; W59-Q109 HydrophobicContact CE3-CB 3.96Å; W59-Q109 HydrophobicContact CE3-CG 3.68Å; W59-Q109 HydrophobicContact CZ3-CB 3.69Å; W59-Q109 HydrophobicContact CZ3-CG 3.75Å; W59-Q109 PolarHBondContact O-NE2 3.31Å
60	K	97.8	Very high	97	Very high	3 Å²	3	60.7 Å²	60.7	1%	0.013	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-89.5	-4.8	174.9	-58.1	176.9	176.5	-177.1	0	112.7	N57 R58 D81 Y84 Q104 M107 T110	N57-K60 WeakPolarHBondContact O-CA 3.3Å; N57-K60 VanDerWaalsContact O-CB 3.28Å; N57-K60 WeakPolarHBondContact O-CB 3.46Å; N57-K60 PolarHBondContact O-N 3.04Å; R58-K60 PolarHBondContact O-N 3.32Å; K60-D81 WeakPolarHBondContact CE-OD2 3.3Å; K60-D81 PolarHBondContact NZ-O 3Å; K60-D81 IonicContact NZ-OD1 3.46Å; K60-D81 PolarHBondContact NZ-OD1 2.92Å; K60-D81 IonicContact NZ-OD2 3.75Å; K60-D81 PolarHBondContact NZ-OD2 3.42Å; K60-Y84 HydrophobicContact CB-CD1 3.87Å; K60-Y84 HydrophobicContact CB-CE1 3.91Å; K60-Y84 HydrophobicContact CD-CD1 3.8Å; K60-Y84 HydrophobicContact CG-CD1 4.46Å; K60-Q104 PolarHBondContact O-NE2 2.7Å; K60-M107 VanDerWaalsContact O-CE 3.28Å; K60-M107 WeakPolarHBondContact O-CE 3.47Å; K60-T110 HydrophobicContact CB-CG2 4.09Å; K60-T110 HydrophobicContact CG-CG2 4.38Å
61	N	98.1	Very high	97	Very high	22 Å²	22	59.9 Å²	59.9	12%	0.118	29%	0.286	C	S	.	.			trans	-100.5	127.1	176.9	-65.8	-43.5	0	0	0	111.8	A52 R58 Y84 N86	A52-N61 PolarHBondContact O-ND2 2.85Å; R58-N61 PolarHBondContact O-N 3.05Å; N61-Y84 PolarHBondContact ND2-OH 3.11Å; N61-Y84 WeakPolarHBondContact OD1-CE1 3.48Å; N61-Y84 PolarHBondContact OD1-OH 3.38Å; N61-N86 PolarHBondContact OD1-ND2 2.72Å
62	R	97.3	Very high	97	Very high	48 Å²	48	60.1 Å²	60.1	18%	0.181	29%	0.287	C	S	.	.	S	Bend	trans	-70.9	-41.2	175.8	179.1	177.5	-72.9	-79.3	0.8	112	G105 P106 M107 L138 R139	R62-G105 PolarHBondContact NE-O 2.69Å; R62-G105 PolarHBondContact NH2-O 2.91Å; R62-P106 PolarHBondContact NH2-O 3.45Å; R62-M107 VanDerWaalsContact CA-SD 3.51Å; R62-M107 HydrophobicContact CB-CG 4.15Å; R62-M107 HydrophobicContact CB-SD 3.85Å; R62-M107 HydrophobicContact CG-SD 4.42Å; R62-L138 PolarHBondContact NH1-O 3.19Å; R62-R139 PolarHBondContact NE-O 3.26Å; R62-R139 PolarHBondContact NH1-O 3.41Å
63	Y	96.6	Very high	97	Very high	62 Å²	62	61.2 Å²	61.2	24%	0.243	29%	0.29	C	S	.	.			trans	-124.9	133.6	-179	-57.6	-71.5	0	0	0	109.1	D65 V66 S236 A237	Y63-D65 VanDerWaalsContact C-N 3.28Å; Y63-D65 WeakPolarHBondContact CB-OD1 3.41Å; Y63-D65 PolarHBondContact O-N 3.42Å; Y63-V66 PolarHBondContact O-N 3.27Å; Y63-S236 PolarHBondContact OH-OG 2.95Å; Y63-A237 HydrophobicContact CD2-CB 3.67Å; Y63-A237 HydrophobicContact CE2-CB 3.69Å
64	R	95.3	Very high	97.2	Very high	207 Å²	207	58 Å²	58	78%	0.781	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-32.7	-175.4	-177.7	178.4	66.7	177.4	0.5	112
65	D	95.1	Very high	97.2	Very high	123 Å²	123	59.4 Å²	59.4	66%	0.658	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	2.5	-176.8	62	-40.1	0	0	0	113.6	Y63	Y63-D65 VanDerWaalsContact C-N 3.28Å; Y63-D65 WeakPolarHBondContact CB-OD1 3.41Å; Y63-D65 PolarHBondContact O-N 3.42Å
66	V	97.6	Very high	97.3	Very high	8 Å²	8	54.6 Å²	54.6	5%	0.048	25%	0.245	C	C	.	.			trans	-124.1	101.1	179.1	-175.1	0	0	0	0	110	Y63 N86 A237 I239	Y63-V66 PolarHBondContact O-N 3.27Å; V66-N86 PolarHBondContact O-ND2 2.99Å; V66-A237 HydrophobicContact CG1-CB 4.46Å; V66-A237 HydrophobicContact CG2-CB 4.31Å; V66-I239 HydrophobicContact CB-CD1 4.45Å; V66-I239 HydrophobicContact CG1-CD1 3.92Å; V66-I239 HydrophobicContact CG1-CG2 3.82Å; V66-I239 HydrophobicContact CG2-CD1 3.66Å
67	S	98.1	Very high	97.3	Very high	9 Å²	9	54.1 Å²	54.1	6%	0.063	26%	0.255	C	S	.	.			trans	-126.4	148	-177.7	-69.7	0	0	0	0	111.5	A52 M278	A52-S67 WeakPolarHBondContact CB-OG 3.4Å; S67-M278 PolarHBondContact N-SD 2.72Å; S67-M278 WeakPolarHBondContact O-CE 3.37Å; S67-M278 VanDerWaalsContact O-CG 3.32Å; S67-M278 WeakPolarHBondContact O-CG 3.49Å; S67-M278 VanDerWaalsContact O-SD 3.39Å
68	P	98.6	Very high	97	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-73.4	145.7	169.1	34.9	-36.1	0	0	0	109.8	R73 Y84 S88	P68-R73 HydrophobicContact CB-CB 3.86Å; P68-R73 HydrophobicContact CG-CB 4.12Å; P68-Y84 VanDerWaalsContact CD-OH 3.27Å; P68-Y84 WeakPolarHBondContact CD-OH 3.24Å; P68-Y84 HydrophobicContact CG-CE2 3.87Å; P68-S88 WeakPolarHBondContact CB-OG 3.19Å
69	F	98.5	Very high	96.9	Very high	10 Å²	10	51.1 Å²	51.1	4%	0.044	26%	0.26	C	S	.	.			trans	-71	142.5	167.2	-59.2	-52.8	0	0	0	110.2	N44 S48 V49 S71 T72 R73 R274 K275 M278	N44-F69 HydrophobicContact CB-CZ 4.04Å; S48-F69 CarbonylContact O-C 3.56Å; S48-F69 WeakPolarHBondContact O-CA 3.47Å; V49-F69 HydrophobicContact CG1-CD1 3.8Å; V49-F69 HydrophobicContact CG1-CE1 4.34Å; F69-S71 PolarHBondContact O-N 2.92Å; F69-T72 PolarHBondContact O-N 3.2Å; F69-T72 VanDerWaalsContact O-N 3.15Å; F69-T72 PolarHBondContact O-OG1 3.08Å; F69-R73 WeakPolarHBondContact O-CB 3.24Å; F69-R73 PolarHBondContact O-N 3.43Å; F69-R274 WeakPolarHBondContact CE2-O 3.33Å; F69-K275 WeakPolarHBondContact CD2-O 3.41Å; F69-M278 HydrophobicContact CD1-CE 4.33Å; F69-M278 HydrophobicContact CE1-CB 4.25Å; F69-M278 HydrophobicContact CE1-CE 3.85Å; F69-M278 HydrophobicContact CE2-CB 4.4Å; F69-M278 HydrophobicContact CZ-CB 3.78Å; F69-M278 HydrophobicContact CZ-CE 4.5Å
70	D	98.4	Very high	96.7	Very high	35 Å²	35	54.6 Å²	54.6	19%	0.187	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.6	179.6	-72.8	-46.4	0	0	0	112.8	S48 V49 D50 A51 T72 R73	S48-D70 VanDerWaalsContact C-OD2 3.31Å; S48-D70 WeakPolarHBondContact CB-OD2 3.32Å; S48-D70 PolarHBondContact O-N 3.31Å; S48-D70 PolarHBondContact OG-OD2 2.87Å; V49-D70 PolarHBondContact N-OD2 3.45Å; D50-D70 PolarHBondContact N-OD2 3.4Å; A51-D70 WeakPolarHBondContact CB-OD1 3.49Å; A51-D70 PolarHBondContact N-OD1 3.23Å; D70-T72 VanDerWaalsContact C-N 3.28Å; D70-T72 PolarHBondContact O-N 2.92Å; D70-R73 IonicContact OD1-NE 3.28Å; D70-R73 PolarHBondContact OD1-NE 2.97Å
71	S	97.7	Very high	96.4	Very high	92 Å²	92	57.4 Å²	57.4	64%	0.643	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.6	179.2	55.6	0	0	0	0	114.1	F69	F69-S71 PolarHBondContact O-N 2.92Å
72	T	98.3	Very high	96.2	Very high	19 Å²	19	57.6 Å²	57.6	12%	0.117	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128	-1.9	-174.5	60.4	0	0	0	0	113.6	F69 D70 S88 F89 C276	F69-T72 PolarHBondContact O-N 3.2Å; F69-T72 VanDerWaalsContact O-N 3.15Å; F69-T72 PolarHBondContact O-OG1 3.08Å; D70-T72 VanDerWaalsContact C-N 3.28Å; D70-T72 PolarHBondContact O-N 2.92Å; T72-S88 CarbonylContact O-C 3.58Å; T72-S88 WeakPolarHBondContact O-CA 3.45Å; T72-F89 PolarHBondContact O-N 3.41Å; T72-C276 WeakPolarHBondContact CB-O 3.33Å; T72-C276 PolarHBondContact OG1-O 2.95Å
73	R	98.5	Very high	96.2	Very high	24 Å²	24	57.9 Å²	57.9	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	150.1	-179.5	70.6	-179.7	178.9	81.4	-6	112	P68 F69 D70 F75 D83 A87	P68-R73 HydrophobicContact CB-CB 3.86Å; P68-R73 HydrophobicContact CG-CB 4.12Å; F69-R73 WeakPolarHBondContact O-CB 3.24Å; F69-R73 PolarHBondContact O-N 3.43Å; D70-R73 IonicContact OD1-NE 3.28Å; D70-R73 PolarHBondContact OD1-NE 2.97Å; R73-F75 HydrophobicContact CG-CD2 4.36Å; R73-F75 HydrophobicContact CG-CE2 3.85Å; R73-F75 HydrophobicContact CG-CZ 4.06Å; R73-F75 VanDerWaalsContact NH1-CE1 3.26Å; R73-F75 VanDerWaalsContact O-CD2 3.28Å; R73-F75 WeakPolarHBondContact O-CD2 3.07Å; R73-F75 WeakPolarHBondContact O-CE2 3.36Å; R73-D83 IonicContact CZ-OD2 2.79Å; R73-D83 VanDerWaalsContact CZ-OD2 3.32Å; R73-D83 IonicContact NH1-OD1 3.96Å; R73-D83 IonicContact NH1-OD2 3.23Å; R73-D83 PolarHBondContact NH1-OD2 2.95Å; R73-D83 IonicContact NH2-OD1 3.38Å; R73-D83 IonicContact NH2-OD2 3.78Å; R73-D83 PolarHBondContact NH2-OD2 2.97Å; R73-A87 CarbonylContact C-O 3.59Å; R73-A87 VanDerWaalsContact CA-O 3.22Å; R73-A87 WeakPolarHBondContact CA-O 3.5Å
74	V	98.7	Very high	96.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.1	170.8	-171.6	0	0	0	0	108.8	I85 A87 F89 I101 M117 R121	V74-I85 HydrophobicContact CB-CG2 4.19Å; V74-I85 WeakPolarHBondContact O-CG2 3.41Å; V74-A87 HydrophobicContact CB-CB 4.05Å; V74-A87 HydrophobicContact CG2-CB 3.79Å; V74-A87 PolarHBondContact N-O 2.88Å; V74-F89 HydrophobicContact CB-CE2 4.23Å; V74-F89 HydrophobicContact CB-CZ 4.42Å; V74-F89 HydrophobicContact CG1-CE2 4.2Å; V74-F89 HydrophobicContact CG1-CZ 4.01Å; V74-F89 HydrophobicContact CG2-CD1 4.39Å; V74-F89 HydrophobicContact CG2-CD2 4.03Å; V74-F89 HydrophobicContact CG2-CE1 4.23Å; V74-F89 HydrophobicContact CG2-CE2 3.85Å; V74-F89 HydrophobicContact CG2-CG 4.31Å; V74-F89 HydrophobicContact CG2-CZ 3.95Å; V74-I101 HydrophobicContact CG2-CD1 4.27Å; V74-I101 HydrophobicContact CG2-CG1 4.15Å; V74-I101 HydrophobicContact CG2-CG2 3.93Å; V74-M117 HydrophobicContact CB-SD 4.07Å; V74-M117 HydrophobicContact CG1-CG 3.79Å; V74-M117 HydrophobicContact CG1-SD 3.96Å; V74-M117 HydrophobicContact CG2-SD 4.16Å; V74-R121 HydrophobicContact CG1-CG 4.29Å
75	F	98.2	Very high	96.5	Very high	86 Å²	86	45.5 Å²	45.5	38%	0.377	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.3	176.3	-64.8	-108.3	0	0	0	109.2	R73 D83 R121	R73-F75 HydrophobicContact CG-CD2 4.36Å; R73-F75 HydrophobicContact CG-CE2 3.85Å; R73-F75 HydrophobicContact CG-CZ 4.06Å; R73-F75 VanDerWaalsContact NH1-CE1 3.26Å; R73-F75 VanDerWaalsContact O-CD2 3.28Å; R73-F75 WeakPolarHBondContact O-CD2 3.07Å; R73-F75 WeakPolarHBondContact O-CE2 3.36Å; F75-D83 HydrophobicContact CD1-CB 4.47Å; F75-D83 WeakPolarHBondContact CD1-OD2 3.45Å; F75-D83 WeakPolarHBondContact CE1-OD2 3.45Å; F75-R121 PolarHBondContact O-NH2 3.47Å
76	L	98.1	Very high	96.7	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.031	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-90.9	126	167.5	-60.6	178.7	0	0	0	109.8	A79 D83 I85 H113 L116 M117 E120	L76-A79 HydrophobicContact CB-CB 3.84Å; L76-A79 HydrophobicContact CD1-CB 3.96Å; L76-D83 PolarHBondContact N-O 2.92Å; L76-D83 WeakPolarHBondContact O-CA 3.43Å; L76-D83 WeakPolarHBondContact O-CB 3.18Å; L76-I85 HydrophobicContact CD1-CB 4.03Å; L76-I85 HydrophobicContact CD1-CG2 4.25Å; L76-I85 HydrophobicContact CD2-CG2 4.11Å; L76-I85 HydrophobicContact CG-CB 4.25Å; L76-I85 HydrophobicContact CG-CG2 3.9Å; L76-H113 HydrophobicContact CD1-CB 3.74Å; L76-L116 HydrophobicContact CB-CD2 4.36Å; L76-L116 HydrophobicContact CD1-CD2 4.49Å; L76-L116 HydrophobicContact CD2-CD2 4.38Å; L76-L116 HydrophobicContact CD2-CG 4.31Å; L76-M117 HydrophobicContact CD2-CB 3.8Å; L76-E120 WeakPolarHBondContact CA-OE2 3.46Å
77	C	94.8	Very high	96.7	Very high	107 Å²	107	39.3 Å²	39.3	72%	0.723	22%	0.221	S	C	*	.	S	Bend	trans	-87.2	-33.3	-177	-65.3	0	0	0	0	112.4	E120	C77-E120 PolarHBondContact N-OE1 3.38Å; C77-E120 PolarHBondContact N-OE2 3.24Å
78	S	91.5	Very high	96.7	Very high	80 Å²	80	38.9 Å²	38.9	56%	0.559	22%	0.218	S	C	*	.	S	Bend	trans	-112.5	9	-168.2	-38.4	0	0	0	0	113.7	E120	S78-E120 WeakPolarHBondContact CB-OE1 3.4Å; S78-E120 PolarHBondContact N-OE1 2.89Å; S78-E120 PolarHBondContact OG-OE1 2.82Å
79	A	92.9	Very high	96.8	Very high	18 Å²	18	40.2 Å²	40.2	15%	0.149	22%	0.224	C	C	.	.			trans	-75	134.3	178.3	0	0	0	0	0	111.1	L76 D81 G82 L116	L76-A79 HydrophobicContact CB-CB 3.84Å; L76-A79 HydrophobicContact CD1-CB 3.96Å; A79-D81 VanDerWaalsContact C-N 3.32Å; A79-D81 PolarHBondContact O-N 3Å; A79-G82 VanDerWaalsContact CB-O 3.22Å; A79-G82 WeakPolarHBondContact CB-O 3.48Å; A79-L116 HydrophobicContact CB-CD2 3.88Å
80	R	90.3	Very high	96.8	Very high	187 Å²	187	39.7 Å²	39.7	71%	0.706	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-25.6	-175.2	-58.8	-175.2	-171.2	-161.6	1.8	113.6	D157	R80-D157 PolarHBondContact NE-O 3.06Å
81	D	92.1	Very high	96.7	Very high	62 Å²	62	42.6 Å²	42.6	33%	0.332	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	26.1	-170.5	68.2	-28.1	0	0	0	112.4	W59 K60 A79 H113	W59-D81 VanDerWaalsContact CH2-OD2 3.26Å; W59-D81 WeakPolarHBondContact CH2-OD2 3.41Å; W59-D81 VanDerWaalsContact CZ2-OD2 3.25Å; W59-D81 WeakPolarHBondContact CZ2-OD2 3.45Å; K60-D81 WeakPolarHBondContact CE-OD2 3.3Å; K60-D81 PolarHBondContact NZ-O 3Å; K60-D81 IonicContact NZ-OD1 3.46Å; K60-D81 PolarHBondContact NZ-OD1 2.92Å; K60-D81 IonicContact NZ-OD2 3.75Å; K60-D81 PolarHBondContact NZ-OD2 3.42Å; A79-D81 VanDerWaalsContact C-N 3.32Å; A79-D81 PolarHBondContact O-N 3Å; D81-H113 IonicContact OD1-CD2 3.69Å; D81-H113 IonicContact OD1-CE1 2.76Å; D81-H113 IonicContact OD1-NE2 3.38Å; D81-H113 PolarHBondContact OD1-NE2 3.32Å; D81-H113 IonicContact OD2-CE1 3.68Å; D81-H113 PolarHBondContact OD2-CE1 2.8Å; D81-H113 IonicContact OD2-NE2 3.32Å; D81-H113 PolarHBondContact OD2-NE2 3Å; D81-H113 VanDerWaalsContact OD2-NE2 3.17Å
82	G	94.2	Very high	96.7	Very high	27 Å²	27	38.3 Å²	38.3	28%	0.278	20%	0.202	S	C	.	.			trans	105.2	167.6	177.4	0	0	0	0	0	114.3	A79 Y84	A79-G82 VanDerWaalsContact CB-O 3.22Å; A79-G82 WeakPolarHBondContact CB-O 3.48Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.35Å
83	D	97.4	Very high	96.5	Very high	53 Å²	53	42 Å²	42	28%	0.283	23%	0.226	S	C	.	.	S	Bend	trans	-80.9	1	-171.4	70.4	-26	0	0	0	114.8	R73 F75 L76	R73-D83 IonicContact CZ-OD2 2.79Å; R73-D83 VanDerWaalsContact CZ-OD2 3.32Å; R73-D83 IonicContact NH1-OD1 3.96Å; R73-D83 IonicContact NH1-OD2 3.23Å; R73-D83 PolarHBondContact NH1-OD2 2.95Å; R73-D83 IonicContact NH2-OD1 3.38Å; R73-D83 IonicContact NH2-OD2 3.78Å; R73-D83 PolarHBondContact NH2-OD2 2.97Å; F75-D83 HydrophobicContact CD1-CB 4.47Å; F75-D83 WeakPolarHBondContact CD1-OD2 3.45Å; F75-D83 WeakPolarHBondContact CE1-OD2 3.45Å; L76-D83 PolarHBondContact N-O 2.92Å; L76-D83 WeakPolarHBondContact O-CA 3.43Å; L76-D83 WeakPolarHBondContact O-CB 3.18Å
84	Y	98.5	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	130.2	-168.6	-177.4	-98	0	0	0	113.4	A51 A52 N57 K60 N61 P68 G82	A51-Y84 HydrophobicContact CB-CD2 4.03Å; A51-Y84 HydrophobicContact CB-CE2 4.47Å; A52-Y84 VanDerWaalsContact CA-CE2 3.47Å; A52-Y84 HydrophobicContact CB-CE2 3.74Å; A52-Y84 WeakPolarHBondContact CB-OH 3.3Å; N57-Y84 HydrophobicContact CB-CD1 3.69Å; N57-Y84 HydrophobicContact CB-CE1 4.1Å; N57-Y84 HydrophobicContact CB-CG 3.96Å; N57-Y84 VanDerWaalsContact CG-CB 3.48Å; N57-Y84 WeakPolarHBondContact ND2-CB 3.48Å; N57-Y84 WeakPolarHBondContact OD1-CB 3.4Å; K60-Y84 HydrophobicContact CB-CD1 3.87Å; K60-Y84 HydrophobicContact CB-CE1 3.91Å; K60-Y84 HydrophobicContact CD-CD1 3.8Å; K60-Y84 HydrophobicContact CG-CD1 4.46Å; N61-Y84 PolarHBondContact ND2-OH 3.11Å; N61-Y84 WeakPolarHBondContact OD1-CE1 3.48Å; N61-Y84 PolarHBondContact OD1-OH 3.38Å; P68-Y84 VanDerWaalsContact CD-OH 3.27Å; P68-Y84 WeakPolarHBondContact CD-OH 3.24Å; P68-Y84 HydrophobicContact CG-CE2 3.87Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.35Å
85	I	98.7	Very high	96.2	Very high	9 Å²	9	44.9 Å²	44.9	5%	0.046	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.4	161.3	-179.8	162.9	0	0	0	108.5	V74 L76 A87 H113 M117	V74-I85 HydrophobicContact CB-CG2 4.19Å; V74-I85 WeakPolarHBondContact O-CG2 3.41Å; L76-I85 HydrophobicContact CD1-CB 4.03Å; L76-I85 HydrophobicContact CD1-CG2 4.25Å; L76-I85 HydrophobicContact CD2-CG2 4.11Å; L76-I85 HydrophobicContact CG-CB 4.25Å; L76-I85 HydrophobicContact CG-CG2 3.9Å; I85-A87 HydrophobicContact CG1-CB 4.32Å; I85-A87 HydrophobicContact CG2-CB 4.19Å; I85-A87 PolarHBondContact O-N 3.21Å; I85-H113 HydrophobicContact CD1-CB 4.11Å; I85-M117 HydrophobicContact CD1-CB 4.09Å; I85-M117 HydrophobicContact CD1-CE 4.22Å; I85-M117 HydrophobicContact CD1-SD 3.94Å; I85-M117 HydrophobicContact CG2-SD 4.23Å
86	N	98.8	Very high	96.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	77.3	174.8	-167.7	-37.5	0	0	0	110.6	N61 V66 T103 Q104 R277	N61-N86 PolarHBondContact OD1-ND2 2.72Å; V66-N86 PolarHBondContact O-ND2 2.99Å; N86-T103 WeakPolarHBondContact O-CA 3.13Å; N86-T103 WeakPolarHBondContact O-CB 3.35Å; N86-T103 PolarHBondContact O-OG1 2.78Å; N86-Q104 HydrophobicContact CB-CG 4.2Å; N86-Q104 PolarHBondContact ND2-OE1 3.32Å; N86-Q104 PolarHBondContact O-N 2.85Å; N86-R277 PolarHBondContact OD1-NH1 2.96Å; N86-R277 VanDerWaalsContact OD1-NH1 3.16Å; N86-R277 PolarHBondContact OD1-NH2 3.34Å
87	A	98.9	Very high	96	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	146.6	179.3	0	0	0	0	0	110	R73 V74 I85 I101 L102 M117	R73-A87 CarbonylContact C-O 3.59Å; R73-A87 VanDerWaalsContact CA-O 3.22Å; R73-A87 WeakPolarHBondContact CA-O 3.5Å; V74-A87 HydrophobicContact CB-CB 4.05Å; V74-A87 HydrophobicContact CG2-CB 3.79Å; V74-A87 PolarHBondContact N-O 2.88Å; I85-A87 HydrophobicContact CG1-CB 4.32Å; I85-A87 HydrophobicContact CG2-CB 4.19Å; I85-A87 PolarHBondContact O-N 3.21Å; A87-I101 HydrophobicContact CB-CG2 4Å; A87-L102 CarbonylContact C-O 3.58Å; A87-L102 VanDerWaalsContact CA-O 3.27Å; A87-L102 WeakPolarHBondContact CA-O 2.96Å; A87-M117 HydrophobicContact CB-CE 4.36Å; A87-M117 HydrophobicContact CB-SD 3.54Å; A87-M117 VanDerWaalsContact CB-SD 3.54Å
88	S	98.9	Very high	96.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.6	179	-53.3	0	0	0	0	110.3	P68 T72 I101 L102 R277	P68-S88 WeakPolarHBondContact CB-OG 3.19Å; T72-S88 CarbonylContact O-C 3.58Å; T72-S88 WeakPolarHBondContact O-CA 3.45Å; S88-I101 WeakPolarHBondContact O-CA 3.29Å; S88-L102 PolarHBondContact N-O 3.45Å; S88-L102 PolarHBondContact O-N 3.49Å; S88-R277 PolarHBondContact OG-NH1 2.9Å; S88-R277 VanDerWaalsContact OG-NH1 3.11Å
89	F	98.7	Very high	96.4	Very high	28 Å²	28	43.2 Å²	43.2	12%	0.123	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	132.7	161.3	-67.8	-69.5	0	0	0	109.3	T72 V74 Y100 I101 P230 C276	T72-F89 PolarHBondContact O-N 3.41Å; V74-F89 HydrophobicContact CB-CE2 4.23Å; V74-F89 HydrophobicContact CB-CZ 4.42Å; V74-F89 HydrophobicContact CG1-CE2 4.2Å; V74-F89 HydrophobicContact CG1-CZ 4.01Å; V74-F89 HydrophobicContact CG2-CD1 4.39Å; V74-F89 HydrophobicContact CG2-CD2 4.03Å; V74-F89 HydrophobicContact CG2-CE1 4.23Å; V74-F89 HydrophobicContact CG2-CE2 3.85Å; V74-F89 HydrophobicContact CG2-CG 4.31Å; V74-F89 HydrophobicContact CG2-CZ 3.95Å; F89-Y100 WeakPolarHBondContact CA-O 3.41Å; F89-I101 HydrophobicContact CD1-CD1 4.35Å; F89-I101 HydrophobicContact CD1-CG1 3.73Å; F89-I101 HydrophobicContact CE1-CD1 3.82Å; F89-I101 HydrophobicContact CE1-CG1 3.72Å; F89-P230 HydrophobicContact CD1-CG 4.39Å; F89-P230 HydrophobicContact CE1-CG 4.08Å; F89-C276 WeakPolarHBondContact O-CB 3.34Å
90	V	98.6	Very high	96.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.1	-179.8	178.7	0	0	0	0	108.5	Y100 L102 V246 L273 C276 R277	V90-Y100 HydrophobicContact CG1-CD2 4.46Å; V90-Y100 PolarHBondContact N-O 3.24Å; V90-Y100 WeakPolarHBondContact O-CD2 3.28Å; V90-Y100 PolarHBondContact O-N 3.42Å; V90-L102 HydrophobicContact CB-CD1 4.34Å; V90-L102 HydrophobicContact CG2-CB 3.99Å; V90-L102 HydrophobicContact CG2-CD1 4.12Å; V90-L102 HydrophobicContact CG2-CD2 4.29Å; V90-L102 HydrophobicContact CG2-CG 4.34Å; V90-V246 HydrophobicContact CG1-CG1 4.26Å; V90-L273 HydrophobicContact CG1-CD2 3.31Å; V90-C276 HydrophobicContact CB-CB 4.31Å; V90-C276 HydrophobicContact CG1-CB 4.31Å; V90-C276 HydrophobicContact CG2-CB 4.01Å; V90-R277 HydrophobicContact CG2-CB 4.4Å
91	F	97.6	Very high	97.1	Very high	96 Å²	96	33.5 Å²	33.5	42%	0.421	19%	0.187	S	C	.	.			trans	-160.1	162.9	178.9	60.8	-84.2	0	0	0	108.5	K99 C276	F91-K99 HydrophobicContact CB-CG 4.31Å; F91-C276 PolarHBondContact O-SG 3.05Å
92	I	97	Very high	97.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.171	C	C	.	.			trans	-129.2	144.3	172.2	64.2	174	0	0	0	109.6	E94 V95 L250 L269 E272 L273	I92-E94 HydrophobicContact CD1-CB 4.36Å; I92-E94 PolarHBondContact O-N 2.65Å; I92-V95 HydrophobicContact CD1-CB 4.28Å; I92-V95 HydrophobicContact CD1-CG2 3.82Å; I92-V95 HydrophobicContact CG1-CB 3.96Å; I92-V95 HydrophobicContact CG1-CG2 4.06Å; I92-V95 CarbonylContact O-C 3.49Å; I92-V95 PolarHBondContact O-N 3.42Å; I92-V95 VanDerWaalsContact O-N 3.16Å; I92-L250 HydrophobicContact CD1-CB 4.33Å; I92-L250 HydrophobicContact CD1-CD1 4.06Å; I92-L250 HydrophobicContact CD1-CD2 4.16Å; I92-L250 HydrophobicContact CD1-CG 4.43Å; I92-L250 HydrophobicContact CG1-CD1 4.26Å; I92-L250 HydrophobicContact CG1-CD2 4.13Å; I92-L250 HydrophobicContact CG2-CD1 4.22Å; I92-L269 HydrophobicContact CD1-CD2 3.3Å; I92-E272 HydrophobicContact CG2-CB 3.75Å; I92-L273 HydrophobicContact CG2-CD2 4.32Å
93	P	94.9	Very high	97.6	Very high	96 Å²	96	29.3 Å²	29.3	62%	0.623	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-32.6	-179.8	-26.7	35.8	0	0	0	114.2	V95	P93-V95 PolarHBondContact O-N 3.31Å
94	E	94.4	Very high	97.7	Very high	85 Å²	85	27.2 Å²	27.2	40%	0.397	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.3	-177.9	-61.2	83.6	172.8	0	0	113.1	I92 L254	I92-E94 HydrophobicContact CD1-CB 4.36Å; I92-E94 PolarHBondContact O-N 2.65Å; E94-L254 HydrophobicContact CB-CD2 4.17Å
95	V	96.2	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.			trans	-131	69.7	-179.1	-169	0	0	0	0	110	I92 P93 S97 R98 L250 I253 L254	I92-V95 HydrophobicContact CD1-CB 4.28Å; I92-V95 HydrophobicContact CD1-CG2 3.82Å; I92-V95 HydrophobicContact CG1-CB 3.96Å; I92-V95 HydrophobicContact CG1-CG2 4.06Å; I92-V95 CarbonylContact O-C 3.49Å; I92-V95 PolarHBondContact O-N 3.42Å; I92-V95 VanDerWaalsContact O-N 3.16Å; P93-V95 PolarHBondContact O-N 3.31Å; V95-S97 PolarHBondContact O-N 3.02Å; V95-S97 VanDerWaalsContact O-N 3.17Å; V95-R98 HydrophobicContact CG1-CB 3.72Å; V95-R98 PolarHBondContact O-N 3.47Å; V95-R98 VanDerWaalsContact O-N 3.11Å; V95-L250 HydrophobicContact CB-CD2 3.97Å; V95-L250 HydrophobicContact CG1-CD2 4.11Å; V95-L250 HydrophobicContact CG2-CD2 4.25Å; V95-I253 HydrophobicContact CG1-CB 4.17Å; V95-I253 HydrophobicContact CG1-CD1 3.75Å; V95-I253 HydrophobicContact CG1-CG2 3.59Å; V95-I253 HydrophobicContact CG2-CG2 4.38Å; V95-L254 HydrophobicContact CG2-CD2 3.66Å; V95-L254 HydrophobicContact CG2-CG 3.92Å
96	P	95.6	Very high	97.7	Very high	101 Å²	101	26.9 Å²	26.9	66%	0.656	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.6	-176.2	28.9	-36	0	0	0	113.1	R98	P96-R98 PolarHBondContact O-N 2.97Å
97	S	95.4	Very high	97.6	Very high	53 Å²	53	27.4 Å²	27.4	37%	0.371	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-5.1	174.6	56.2	0	0	0	0	113.5	V95	V95-S97 PolarHBondContact O-N 3.02Å; V95-S97 VanDerWaalsContact O-N 3.17Å
98	R	97.1	Very high	97.4	Very high	23 Å²	23	33 Å²	33	9%	0.087	17%	0.174	C	C	.	.			trans	-133.5	122.6	-170.3	-156.1	72.6	114.7	-141.7	-9.4	111.9	V95 P96 Y100 L224 D249 L250 I253	V95-R98 HydrophobicContact CG1-CB 3.72Å; V95-R98 PolarHBondContact O-N 3.47Å; V95-R98 VanDerWaalsContact O-N 3.11Å; P96-R98 PolarHBondContact O-N 2.97Å; R98-Y100 HydrophobicContact CG-CE1 3.79Å; R98-Y100 HydrophobicContact CG-CE2 3.68Å; R98-Y100 WeakPolarHBondContact CG-OH 3.35Å; R98-L224 WeakPolarHBondContact CD-O 3.45Å; R98-L224 PolarHBondContact NH1-O 3.48Å; R98-D249 IonicContact CZ-OD1 3.29Å; R98-D249 IonicContact CZ-OD2 3.78Å; R98-D249 IonicContact NE-OD1 3.41Å; R98-D249 IonicContact NE-OD2 3.17Å; R98-D249 PolarHBondContact NE-OD2 2.86Å; R98-D249 IonicContact NH2-OD1 2.67Å; R98-D249 PolarHBondContact NH2-OD1 3.15Å; R98-D249 IonicContact NH2-OD2 2.85Å; R98-D249 PolarHBondContact NH2-OD2 3.1Å; R98-L250 HydrophobicContact CB-CD2 4.13Å; R98-L250 HydrophobicContact CG-CD2 4.13Å; R98-I253 HydrophobicContact CB-CD1 4.14Å; R98-I253 HydrophobicContact CG-CD1 3.93Å
99	K	98.2	Very high	97.2	Very high	68 Å²	68	36.1 Å²	36.1	30%	0.296	19%	0.189	S	C	.	.			trans	-139.8	141.2	176.7	-170.3	178.5	-172.6	179.1	0	109.2	F91 P227 P230 P231	F91-K99 HydrophobicContact CB-CG 4.31Å; K99-P227 HydrophobicContact CB-CB 3.93Å; K99-P227 WeakPolarHBondContact CD-O 3.36Å; K99-P230 HydrophobicContact CB-CB 4.37Å; K99-P230 HydrophobicContact CG-CB 4.2Å; K99-P230 WeakPolarHBondContact O-CB 3.49Å; K99-P231 WeakPolarHBondContact O-CD 3.33Å
100	Y	98.8	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	162.2	-179.1	-40.9	-90	0	0	0	110.9	F89 V90 R98 L224 P231 I233 V246 D249 L250	F89-Y100 WeakPolarHBondContact CA-O 3.41Å; V90-Y100 HydrophobicContact CG1-CD2 4.46Å; V90-Y100 PolarHBondContact N-O 3.24Å; V90-Y100 WeakPolarHBondContact O-CD2 3.28Å; V90-Y100 PolarHBondContact O-N 3.42Å; R98-Y100 HydrophobicContact CG-CE1 3.79Å; R98-Y100 HydrophobicContact CG-CE2 3.68Å; R98-Y100 WeakPolarHBondContact CG-OH 3.35Å; Y100-L224 HydrophobicContact CE1-CD2 4.32Å; Y100-P231 HydrophobicContact CD1-CG 4.03Å; Y100-I233 HydrophobicContact CD1-CD1 3.57Å; Y100-I233 HydrophobicContact CE1-CD1 4.23Å; Y100-I233 HydrophobicContact CG-CD1 4.1Å; Y100-V246 HydrophobicContact CD1-CG2 4.28Å; Y100-V246 HydrophobicContact CD2-CG1 3.8Å; Y100-V246 HydrophobicContact CD2-CG2 4.13Å; Y100-V246 HydrophobicContact CE1-CG2 4.4Å; Y100-V246 HydrophobicContact CE2-CB 4.48Å; Y100-V246 HydrophobicContact CE2-CG1 3.52Å; Y100-V246 HydrophobicContact CE2-CG2 4.29Å; Y100-V246 HydrophobicContact CG-CG2 4.09Å; Y100-D249 PolarHBondContact OH-OD2 3.42Å; Y100-L250 HydrophobicContact CE2-CD1 4.3Å; Y100-L250 HydrophobicContact CE2-CD2 4.06Å; Y100-L250 HydrophobicContact CE2-CG 4.15Å
101	I	98.9	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.6	162.7	-67.9	171.5	0	0	0	108.2	V74 A87 S88 F89 M117 R121 P230 P231 V232 I233	V74-I101 HydrophobicContact CG2-CD1 4.27Å; V74-I101 HydrophobicContact CG2-CG1 4.15Å; V74-I101 HydrophobicContact CG2-CG2 3.93Å; A87-I101 HydrophobicContact CB-CG2 4Å; S88-I101 WeakPolarHBondContact O-CA 3.29Å; F89-I101 HydrophobicContact CD1-CD1 4.35Å; F89-I101 HydrophobicContact CD1-CG1 3.73Å; F89-I101 HydrophobicContact CE1-CD1 3.82Å; F89-I101 HydrophobicContact CE1-CG1 3.72Å; I101-M117 HydrophobicContact CG2-CE 3.91Å; I101-M117 HydrophobicContact CG2-SD 3.79Å; I101-R121 HydrophobicContact CD1-CB 4.18Å; I101-R121 HydrophobicContact CD1-CG 4.08Å; I101-P230 HydrophobicContact CD1-CG 3.78Å; I101-P230 HydrophobicContact CG1-CB 4.13Å; I101-P230 HydrophobicContact CG1-CG 3.82Å; I101-P231 PolarHBondContact N-O 2.91Å; I101-V232 HydrophobicContact CB-CG2 4.39Å; I101-V232 HydrophobicContact CG2-CG2 4.48Å; I101-V232 CarbonylContact O-C 3.39Å; I101-V232 WeakPolarHBondContact O-CA 3.41Å; I101-I233 PolarHBondContact O-N 3.04Å
102	L	98.9	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.5	171.2	-95.7	64.2	0	0	0	110.1	A87 S88 V90 I233 V246 I280	A87-L102 CarbonylContact C-O 3.58Å; A87-L102 VanDerWaalsContact CA-O 3.27Å; A87-L102 WeakPolarHBondContact CA-O 2.96Å; S88-L102 PolarHBondContact N-O 3.45Å; S88-L102 PolarHBondContact O-N 3.49Å; V90-L102 HydrophobicContact CB-CD1 4.34Å; V90-L102 HydrophobicContact CG2-CB 3.99Å; V90-L102 HydrophobicContact CG2-CD1 4.12Å; V90-L102 HydrophobicContact CG2-CD2 4.29Å; V90-L102 HydrophobicContact CG2-CG 4.34Å; L102-I233 WeakPolarHBondContact CA-O 3.29Å; L102-I233 HydrophobicContact CD1-CB 3.97Å; L102-I233 HydrophobicContact CD1-CD1 4.37Å; L102-V246 HydrophobicContact CD1-CG2 3.75Å; L102-I280 HydrophobicContact CD2-CD1 3.43Å; L102-I280 VanDerWaalsContact CD2-CD1 3.43Å
103	T	98.9	Very high	97.1	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	161.3	-177.6	-170.8	0	0	0	0	112	N86 F114 M117 V232 I233 H234 G238	N86-T103 WeakPolarHBondContact O-CA 3.13Å; N86-T103 WeakPolarHBondContact O-CB 3.35Å; N86-T103 PolarHBondContact O-OG1 2.78Å; T103-F114 HydrophobicContact CG2-CD2 4.23Å; T103-F114 HydrophobicContact CG2-CE2 3.88Å; T103-M117 HydrophobicContact CG2-CE 4.21Å; T103-V232 HydrophobicContact CG2-CG1 3.58Å; T103-I233 PolarHBondContact N-O 2.85Å; T103-H234 HydrophobicContact CG2-CB 3.85Å; T103-H234 WeakPolarHBondContact O-CA 3.41Å; T103-H234 WeakPolarHBondContact O-CB 3.4Å; T103-G238 WeakPolarHBondContact O-CA 3.43Å
104	Q	98.6	Very high	97.2	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.037	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-67.8	158.9	171	71.3	-176.3	20.4	0	0	111.2	K60 N86 P106	K60-Q104 PolarHBondContact O-NE2 2.7Å; N86-Q104 HydrophobicContact CB-CG 4.2Å; N86-Q104 PolarHBondContact ND2-OE1 3.32Å; N86-Q104 PolarHBondContact O-N 2.85Å; Q104-P106 WeakPolarHBondContact O-CD 3.34Å
105	G	98.4	Very high	97.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-62.1	123.6	167.7	0	0	0	0	0	109.9	R62 M107 C235 S236	R62-G105 PolarHBondContact NE-O 2.69Å; R62-G105 PolarHBondContact NH2-O 2.91Å; G105-M107 PolarHBondContact O-N 3.42Å; G105-C235 VanDerWaalsContact CA-O 3.27Å; G105-C235 WeakPolarHBondContact CA-O 3.46Å; G105-C235 PolarHBondContact N-O 3.33Å; G105-C235 VanDerWaalsContact N-O 3.12Å; G105-S236 PolarHBondContact N-O 3.05Å
106	P	98.2	Very high	97.5	Very high	2 Å²	2	25 Å²	25	1%	0.013	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-50.9	138	-175	-32.1	37.4	0	0	0	112.9	R62 Q104 V111 F114 H141 Y143	R62-P106 PolarHBondContact NH2-O 3.45Å; Q104-P106 WeakPolarHBondContact O-CD 3.34Å; P106-V111 HydrophobicContact CB-CG2 4.5Å; P106-F114 HydrophobicContact CB-CB 4.32Å; P106-F114 HydrophobicContact CB-CG 4.45Å; P106-F114 HydrophobicContact CG-CB 3.86Å; P106-F114 HydrophobicContact CG-CD1 4.1Å; P106-F114 HydrophobicContact CG-CD2 3.39Å; P106-F114 HydrophobicContact CG-CE2 3.86Å; P106-F114 HydrophobicContact CG-CG 3.5Å; P106-F114 HydrophobicContact CG-CZ 4.43Å; P106-H141 VanDerWaalsContact O-CB 3.23Å; P106-H141 WeakPolarHBondContact O-CB 3.29Å; P106-H141 PolarHBondContact O-N 2.97Å; P106-Y143 HydrophobicContact CB-CD1 4.35Å; P106-Y143 HydrophobicContact CB-CG 4.28Å; P106-Y143 HydrophobicContact CG-CD1 3.9Å; P106-Y143 HydrophobicContact CG-CD2 4.46Å; P106-Y143 HydrophobicContact CG-CE1 4.47Å; P106-Y143 HydrophobicContact CG-CG 3.9Å
107	M	96.8	Very high	97.7	Very high	12 Å²	12	20.2 Å²	20.2	6%	0.059	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-90.5	162.8	167.8	-59.4	-173	-68.7	0	0	108.9	W59 K60 R62 G105 Q109 T110 V111	W59-M107 VanDerWaalsContact O-CE 3.25Å; W59-M107 WeakPolarHBondContact O-CE 3.47Å; K60-M107 VanDerWaalsContact O-CE 3.28Å; K60-M107 WeakPolarHBondContact O-CE 3.47Å; R62-M107 VanDerWaalsContact CA-SD 3.51Å; R62-M107 HydrophobicContact CB-CG 4.15Å; R62-M107 HydrophobicContact CB-SD 3.85Å; R62-M107 HydrophobicContact CG-SD 4.42Å; G105-M107 PolarHBondContact O-N 3.42Å; M107-Q109 HydrophobicContact CB-CG 4.14Å; M107-Q109 HydrophobicContact CE-CG 4.26Å; M107-Q109 VanDerWaalsContact CE-NE2 3.29Å; M107-Q109 PolarHBondContact O-N 2.81Å; M107-T110 HydrophobicContact CE-CG2 3.95Å; M107-T110 PolarHBondContact N-OG1 3.36Å; M107-T110 CarbonylContact O-C 3.5Å; M107-T110 PolarHBondContact O-N 3.28Å; M107-T110 PolarHBondContact O-OG1 2.82Å; M107-V111 WeakPolarHBondContact O-CG2 3.48Å; M107-V111 PolarHBondContact O-N 3.19Å
108	Q	95	Very high	97.8	Very high	119 Å²	119	17.7 Å²	17.7	56%	0.556	8%	0.083	S	C	*	.	G	3₁₀ helix	trans	-48.9	-46.9	178.7	-176.8	174.5	11.1	0	0	112.1	T110	Q108-T110 VanDerWaalsContact C-N 3.28Å; Q108-T110 PolarHBondContact O-N 3.19Å
109	Q	94.3	Very high	97.9	Very high	65 Å²	65	18.9 Å²	18.9	30%	0.304	9%	0.088	S	C	.	.	G	3₁₀ helix	trans	-73.8	-11	-179.2	66.7	-107.5	44.6	0	0	115.1	W59 M107	W59-Q109 HydrophobicContact CE3-CB 3.96Å; W59-Q109 HydrophobicContact CE3-CG 3.68Å; W59-Q109 HydrophobicContact CZ3-CB 3.69Å; W59-Q109 HydrophobicContact CZ3-CG 3.75Å; W59-Q109 PolarHBondContact O-NE2 3.31Å; M107-Q109 HydrophobicContact CB-CG 4.14Å; M107-Q109 HydrophobicContact CE-CG 4.26Å; M107-Q109 VanDerWaalsContact CE-NE2 3.29Å; M107-Q109 PolarHBondContact O-N 2.81Å
110	T	97.2	Very high	97.9	Very high	9 Å²	9	17.7 Å²	17.7	6%	0.055	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-118.4	11	-176.9	71.5	0	0	0	0	113.1	K60 M107 Q108 N112 H113 F114	K60-T110 HydrophobicContact CB-CG2 4.09Å; K60-T110 HydrophobicContact CG-CG2 4.38Å; M107-T110 HydrophobicContact CE-CG2 3.95Å; M107-T110 PolarHBondContact N-OG1 3.36Å; M107-T110 CarbonylContact O-C 3.5Å; M107-T110 PolarHBondContact O-N 3.28Å; M107-T110 PolarHBondContact O-OG1 2.82Å; Q108-T110 VanDerWaalsContact C-N 3.28Å; Q108-T110 PolarHBondContact O-N 3.19Å; T110-N112 VanDerWaalsContact C-N 3.31Å; T110-H113 PolarHBondContact O-N 3.39Å; T110-F114 WeakPolarHBondContact O-CB 3.29Å; T110-F114 PolarHBondContact O-N 3.46Å
111	V	97.4	Very high	97.8	Very high	9 Å²	9	21.3 Å²	21.3	6%	0.055	10%	0.097	C	C	.	.	H	α-helix	trans	-61.5	-43.3	175.4	175.9	0	0	0	0	110.5	P106 M107 F114 W115 L153 L155	P106-V111 HydrophobicContact CB-CG2 4.5Å; M107-V111 WeakPolarHBondContact O-CG2 3.48Å; M107-V111 PolarHBondContact O-N 3.19Å; V111-F114 PolarHBondContact O-N 3.26Å; V111-W115 PolarHBondContact O-N 3.12Å; V111-W115 VanDerWaalsContact O-N 3.12Å; V111-L153 HydrophobicContact CG1-CD2 3.9Å; V111-L155 HydrophobicContact CG1-CD2 3.83Å
112	N	97.2	Very high	97.8	Very high	35 Å²	35	26.2 Å²	26.2	19%	0.187	12%	0.12	C	C	.	.	H	α-helix	trans	-60.9	-47.9	178.3	-63.6	-13.9	0	0	0	110.8	T110 F114 W115 L116 L155 D157 V158	T110-N112 VanDerWaalsContact C-N 3.31Å; N112-F114 VanDerWaalsContact C-N 3.33Å; N112-F114 PolarHBondContact O-N 2.99Å; N112-W115 PolarHBondContact O-N 3.48Å; N112-L116 VanDerWaalsContact O-CB 3.31Å; N112-L116 WeakPolarHBondContact O-CB 3.43Å; N112-L116 PolarHBondContact O-N 3.4Å; N112-L155 WeakPolarHBondContact OD1-CD2 3.3Å; N112-D157 PolarHBondContact ND2-OD2 3.37Å; N112-V158 HydrophobicContact CB-CG1 4.09Å; N112-V158 HydrophobicContact CB-CG2 4.2Å
113	H	98.1	Very high	97.8	Very high	13 Å²	13	26.2 Å²	26.2	6%	0.06	12%	0.12	C	C	.	.	H	α-helix	trans	-60	-40.6	175.8	-58.5	106	0	0	0	112.7	L76 D81 I85 T110 L116 M117	L76-H113 HydrophobicContact CD1-CB 3.74Å; D81-H113 IonicContact OD1-CD2 3.69Å; D81-H113 IonicContact OD1-CE1 2.76Å; D81-H113 IonicContact OD1-NE2 3.38Å; D81-H113 PolarHBondContact OD1-NE2 3.32Å; D81-H113 IonicContact OD2-CE1 3.68Å; D81-H113 PolarHBondContact OD2-CE1 2.8Å; D81-H113 IonicContact OD2-NE2 3.32Å; D81-H113 PolarHBondContact OD2-NE2 3Å; D81-H113 VanDerWaalsContact OD2-NE2 3.17Å; I85-H113 HydrophobicContact CD1-CB 4.11Å; T110-H113 PolarHBondContact O-N 3.39Å; H113-L116 PolarHBondContact O-N 3.16Å; H113-M117 WeakPolarHBondContact O-CB 3.49Å; H113-M117 PolarHBondContact O-N 3.22Å
114	F	98.7	Very high	97.7	Very high	2 Å²	2	28 Å²	28	1%	0.009	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-49.4	179.5	176.5	-89.4	0	0	0	111.8	T103 P106 T110 V111 N112 M117 V118 I126 Y143 V232	T103-F114 HydrophobicContact CG2-CD2 4.23Å; T103-F114 HydrophobicContact CG2-CE2 3.88Å; P106-F114 HydrophobicContact CB-CB 4.32Å; P106-F114 HydrophobicContact CB-CG 4.45Å; P106-F114 HydrophobicContact CG-CB 3.86Å; P106-F114 HydrophobicContact CG-CD1 4.1Å; P106-F114 HydrophobicContact CG-CD2 3.39Å; P106-F114 HydrophobicContact CG-CE2 3.86Å; P106-F114 HydrophobicContact CG-CG 3.5Å; P106-F114 HydrophobicContact CG-CZ 4.43Å; T110-F114 WeakPolarHBondContact O-CB 3.29Å; T110-F114 PolarHBondContact O-N 3.46Å; V111-F114 PolarHBondContact O-N 3.26Å; N112-F114 VanDerWaalsContact C-N 3.33Å; N112-F114 PolarHBondContact O-N 2.99Å; F114-M117 HydrophobicContact CD2-CE 4.26Å; F114-M117 HydrophobicContact CE2-CE 4.47Å; F114-M117 WeakPolarHBondContact O-CB 3.43Å; F114-M117 PolarHBondContact O-N 2.84Å; F114-V118 HydrophobicContact CD1-CG2 4.33Å; F114-V118 HydrophobicContact CE1-CG2 3.96Å; F114-V118 HydrophobicContact CZ-CG2 4.29Å; F114-V118 WeakPolarHBondContact O-CG2 3.33Å; F114-V118 PolarHBondContact O-N 3.23Å; F114-V118 VanDerWaalsContact O-N 3.07Å; F114-I126 HydrophobicContact CE1-CD1 3.83Å; F114-I126 HydrophobicContact CE1-CG1 4.5Å; F114-I126 HydrophobicContact CZ-CD1 4.05Å; F114-I126 HydrophobicContact CZ-CG1 4.25Å; F114-I126 HydrophobicContact CZ-CG2 4.01Å; F114-Y143 AromaticContact CD1-CD2 3.85Å; F114-Y143 HydrophobicContact CD1-CD2 3.85Å; F114-Y143 HydrophobicContact CD1-CE2 4.18Å; F114-Y143 AromaticContact CE1-CD2 3.57Å; F114-Y143 HydrophobicContact CE1-CD2 3.57Å; F114-Y143 AromaticContact CE1-CE2 3.41Å; F114-Y143 HydrophobicContact CE1-CE2 3.41Å; F114-Y143 VanDerWaalsContact CE1-CE2 3.41Å; F114-Y143 HydrophobicContact CZ-CD2 4.27Å; F114-Y143 AromaticContact CZ-CE2 3.8Å; F114-Y143 HydrophobicContact CZ-CE2 3.8Å; F114-V232 HydrophobicContact CE2-CG1 3.78Å; F114-V232 HydrophobicContact CZ-CG1 4.05Å
115	W	98.4	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-72.1	-31.4	178.6	-74.8	112.4	0	0	0	113	V111 N112 M117 V118 W119 I126 Y143 F144 L155 L160 V162 F178 I180	V111-W115 PolarHBondContact O-N 3.12Å; V111-W115 VanDerWaalsContact O-N 3.12Å; N112-W115 PolarHBondContact O-N 3.48Å; W115-M117 VanDerWaalsContact C-N 3.32Å; W115-V118 HydrophobicContact CE3-CB 4.16Å; W115-V118 HydrophobicContact CE3-CG1 4.11Å; W115-V118 HydrophobicContact CE3-CG2 4.34Å; W115-V118 HydrophobicContact CZ3-CG1 4.22Å; W115-V118 PolarHBondContact O-N 3.5Å; W115-W119 WeakPolarHBondContact O-CB 3.43Å; W115-W119 PolarHBondContact O-N 3.1Å; W115-I126 HydrophobicContact CE3-CD1 4.48Å; W115-I126 HydrophobicContact CH2-CD1 3.65Å; W115-I126 HydrophobicContact CZ3-CD1 3.63Å; W115-Y143 AromaticContact CE2-CD2 3.99Å; W115-Y143 AromaticContact CZ2-CD2 3.82Å; W115-Y143 HydrophobicContact CZ2-CD2 3.82Å; W115-Y143 HydrophobicContact CZ2-CE2 4.07Å; W115-Y143 AromaticContact NE1-CD2 3.93Å; W115-Y143 PolarHBondContact NE1-O 3.35Å; W115-F144 HydrophobicContact CZ2-CB 4.31Å; W115-L155 HydrophobicContact CB-CD1 3.44Å; W115-L155 VanDerWaalsContact CB-CD1 3.44Å; W115-L155 HydrophobicContact CG-CD1 3.62Å; W115-L160 HydrophobicContact CB-CD1 4.35Å; W115-V162 HydrophobicContact CD2-CG2 3.68Å; W115-V162 HydrophobicContact CE3-CG2 4.02Å; W115-V162 HydrophobicContact CG-CG2 3.97Å; W115-V162 HydrophobicContact CH2-CG1 3.77Å; W115-V162 HydrophobicContact CZ2-CB 4.49Å; W115-V162 HydrophobicContact CZ2-CG1 3.77Å; W115-V162 HydrophobicContact CZ2-CG2 4.24Å; W115-V162 HydrophobicContact CZ3-CG1 4.21Å; W115-V162 HydrophobicContact CZ3-CG2 4.43Å; W115-F178 HydrophobicContact CH2-CB 4.44Å; W115-F178 AromaticContact CH2-CD2 3.78Å; W115-F178 HydrophobicContact CH2-CD2 3.78Å; W115-F178 HydrophobicContact CH2-CE2 4.3Å; W115-F178 HydrophobicContact CH2-CG 4.21Å; W115-I180 HydrophobicContact CE3-CD1 3.47Å; W115-I180 VanDerWaalsContact CE3-CD1 3.47Å; W115-I180 HydrophobicContact CE3-CG1 3.95Å; W115-I180 HydrophobicContact CZ3-CD1 3.56Å; W115-I180 HydrophobicContact CZ3-CG1 3.87Å
116	L	98.2	Very high	97.7	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-43.5	170.4	-178.3	63.1	0	0	0	111	L76 A79 N112 H113 V118 W119 E120 V158	L76-L116 HydrophobicContact CB-CD2 4.36Å; L76-L116 HydrophobicContact CD1-CD2 4.49Å; L76-L116 HydrophobicContact CD2-CD2 4.38Å; L76-L116 HydrophobicContact CD2-CG 4.31Å; A79-L116 HydrophobicContact CB-CD2 3.88Å; N112-L116 VanDerWaalsContact O-CB 3.31Å; N112-L116 WeakPolarHBondContact O-CB 3.43Å; N112-L116 PolarHBondContact O-N 3.4Å; H113-L116 PolarHBondContact O-N 3.16Å; L116-V118 PolarHBondContact O-N 2.91Å; L116-W119 PolarHBondContact O-N 3.07Å; L116-E120 HydrophobicContact CD1-CG 3.82Å; L116-E120 HydrophobicContact CG-CG 4.14Å; L116-E120 WeakPolarHBondContact O-CB 3.35Å; L116-E120 WeakPolarHBondContact O-CG 3.49Å; L116-E120 PolarHBondContact O-N 3.41Å; L116-V158 HydrophobicContact CB-CB 4.28Å; L116-V158 HydrophobicContact CB-CG1 4.06Å; L116-V158 HydrophobicContact CD1-CB 4.31Å; L116-V158 HydrophobicContact CD2-CG1 3.89Å; L116-V158 HydrophobicContact CG-CG1 4.39Å
117	M	98.6	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.7	-47.2	173.9	-177	-177.7	65.5	0	0	111.8	V74 L76 I85 A87 I101 T103 H113 F114 W115 W119 R121 V232	V74-M117 HydrophobicContact CB-SD 4.07Å; V74-M117 HydrophobicContact CG1-CG 3.79Å; V74-M117 HydrophobicContact CG1-SD 3.96Å; V74-M117 HydrophobicContact CG2-SD 4.16Å; L76-M117 HydrophobicContact CD2-CB 3.8Å; I85-M117 HydrophobicContact CD1-CB 4.09Å; I85-M117 HydrophobicContact CD1-CE 4.22Å; I85-M117 HydrophobicContact CD1-SD 3.94Å; I85-M117 HydrophobicContact CG2-SD 4.23Å; A87-M117 HydrophobicContact CB-CE 4.36Å; A87-M117 HydrophobicContact CB-SD 3.54Å; A87-M117 VanDerWaalsContact CB-SD 3.54Å; I101-M117 HydrophobicContact CG2-CE 3.91Å; I101-M117 HydrophobicContact CG2-SD 3.79Å; T103-M117 HydrophobicContact CG2-CE 4.21Å; H113-M117 WeakPolarHBondContact O-CB 3.49Å; H113-M117 PolarHBondContact O-N 3.22Å; F114-M117 HydrophobicContact CD2-CE 4.26Å; F114-M117 HydrophobicContact CE2-CE 4.47Å; F114-M117 WeakPolarHBondContact O-CB 3.43Å; F114-M117 PolarHBondContact O-N 2.84Å; W115-M117 VanDerWaalsContact C-N 3.32Å; M117-W119 VanDerWaalsContact C-N 3.29Å; M117-W119 PolarHBondContact O-N 2.64Å; M117-R121 HydrophobicContact CG-CG 4.44Å; M117-R121 VanDerWaalsContact O-CB 3.3Å; M117-R121 WeakPolarHBondContact O-CB 3.28Å; M117-R121 WeakPolarHBondContact O-CG 3.31Å; M117-R121 PolarHBondContact O-N 2.87Å; M117-V232 HydrophobicContact CE-CG1 4.09Å; M117-V232 HydrophobicContact CE-CG2 3.98Å
118	V	98.7	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.6	-41.9	178.3	171.7	0	0	0	0	111.1	F114 W115 L116 Q122 C123 I126 I180 V191 V232	F114-V118 HydrophobicContact CD1-CG2 4.33Å; F114-V118 HydrophobicContact CE1-CG2 3.96Å; F114-V118 HydrophobicContact CZ-CG2 4.29Å; F114-V118 WeakPolarHBondContact O-CG2 3.33Å; F114-V118 PolarHBondContact O-N 3.23Å; F114-V118 VanDerWaalsContact O-N 3.07Å; W115-V118 HydrophobicContact CE3-CB 4.16Å; W115-V118 HydrophobicContact CE3-CG1 4.11Å; W115-V118 HydrophobicContact CE3-CG2 4.34Å; W115-V118 HydrophobicContact CZ3-CG1 4.22Å; W115-V118 PolarHBondContact O-N 3.5Å; L116-V118 PolarHBondContact O-N 2.91Å; V118-Q122 PolarHBondContact O-N 3.18Å; V118-Q122 VanDerWaalsContact O-N 3.14Å; V118-C123 HydrophobicContact CG1-CB 4.19Å; V118-C123 PolarHBondContact O-N 2.87Å; V118-I126 HydrophobicContact CG2-CD1 4.18Å; V118-I126 HydrophobicContact CG2-CG1 4.31Å; V118-I180 HydrophobicContact CB-CD1 4.35Å; V118-I180 HydrophobicContact CG1-CD1 3.48Å; V118-I180 VanDerWaalsContact CG1-CD1 3.48Å; V118-V191 HydrophobicContact CG1-CG1 4.37Å; V118-V191 HydrophobicContact CG1-CG2 3.9Å; V118-V232 HydrophobicContact CG2-CG2 3.94Å
119	W	98.3	Very high	97.9	Very high	48 Å²	48	21.3 Å²	21.3	18%	0.182	10%	0.1	C	C	.	.	H	α-helix	trans	-67.4	-55.4	177.8	177.6	-92.5	0	0	0	112.4	W115 L116 M117 R121 Q122 L160 I180 N182 E187 H189	W115-W119 WeakPolarHBondContact O-CB 3.43Å; W115-W119 PolarHBondContact O-N 3.1Å; L116-W119 PolarHBondContact O-N 3.07Å; M117-W119 VanDerWaalsContact C-N 3.29Å; M117-W119 PolarHBondContact O-N 2.64Å; W119-R121 PolarHBondContact O-N 3.3Å; W119-Q122 PolarHBondContact O-N 2.65Å; W119-L160 HydrophobicContact CB-CD1 3.74Å; W119-L160 HydrophobicContact CB-CD2 4.38Å; W119-L160 HydrophobicContact CD2-CD2 3.72Å; W119-L160 HydrophobicContact CE3-CD2 3.97Å; W119-L160 HydrophobicContact CG-CD1 4.12Å; W119-L160 HydrophobicContact CG-CD2 3.89Å; W119-I180 HydrophobicContact CE3-CB 4.17Å; W119-I180 HydrophobicContact CE3-CG2 3.67Å; W119-I180 HydrophobicContact CZ3-CB 4.46Å; W119-I180 HydrophobicContact CZ3-CG2 4.23Å; W119-N182 HydrophobicContact CH2-CB 3.64Å; W119-N182 HydrophobicContact CZ2-CB 3.51Å; W119-N182 HydrophobicContact CZ3-CB 4.38Å; W119-E187 HydrophobicContact CH2-CB 3.88Å; W119-E187 VanDerWaalsContact CH2-O 3.31Å; W119-E187 WeakPolarHBondContact CH2-O 3.31Å; W119-E187 HydrophobicContact CZ2-CB 4.3Å; W119-H189 HydrophobicContact CE3-CB 4.2Å; W119-H189 HydrophobicContact CZ3-CB 3.88Å
120	E	97.9	Very high	97.9	Very high	44 Å²	44	18.3 Å²	18.3	21%	0.206	9%	0.086	C	C	.	.	H	α-helix	trans	-63.6	-30.3	-176.1	-71.6	-177.7	160.6	0	0	112.7	L76 C77 S78 L116	L76-E120 WeakPolarHBondContact CA-OE2 3.46Å; C77-E120 PolarHBondContact N-OE1 3.38Å; C77-E120 PolarHBondContact N-OE2 3.24Å; S78-E120 WeakPolarHBondContact CB-OE1 3.4Å; S78-E120 PolarHBondContact N-OE1 2.89Å; S78-E120 PolarHBondContact OG-OE1 2.82Å; L116-E120 HydrophobicContact CD1-CG 3.82Å; L116-E120 HydrophobicContact CG-CG 4.14Å; L116-E120 WeakPolarHBondContact O-CB 3.35Å; L116-E120 WeakPolarHBondContact O-CG 3.49Å; L116-E120 PolarHBondContact O-N 3.41Å
121	R	97.9	Very high	97.7	Very high	76 Å²	76	23.6 Å²	23.6	29%	0.287	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	2.3	176.9	-56.7	-57.3	174.1	-179.7	-5.7	113.3	V74 F75 I101 M117 W119 C123	V74-R121 HydrophobicContact CG1-CG 4.29Å; F75-R121 PolarHBondContact O-NH2 3.47Å; I101-R121 HydrophobicContact CD1-CB 4.18Å; I101-R121 HydrophobicContact CD1-CG 4.08Å; M117-R121 HydrophobicContact CG-CG 4.44Å; M117-R121 VanDerWaalsContact O-CB 3.3Å; M117-R121 WeakPolarHBondContact O-CB 3.28Å; M117-R121 WeakPolarHBondContact O-CG 3.31Å; M117-R121 PolarHBondContact O-N 2.87Å; W119-R121 PolarHBondContact O-N 3.3Å; R121-C123 VanDerWaalsContact CB-SG 3.6Å; R121-C123 PolarHBondContact O-N 3.46Å; R121-C123 VanDerWaalsContact O-N 3.17Å
122	Q	97.8	Very high	97.4	Very high	103 Å²	103	23.3 Å²	23.3	48%	0.481	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	41.2	-179.4	-61.2	-179	-9.6	0	0	112	V118 W119 Y229	V118-Q122 PolarHBondContact O-N 3.18Å; V118-Q122 VanDerWaalsContact O-N 3.14Å; W119-Q122 PolarHBondContact O-N 2.65Å; Q122-Y229 HydrophobicContact CB-CD1 3.72Å; Q122-Y229 HydrophobicContact CB-CE1 3.92Å
123	C	98.5	Very high	97.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.1	C	C	.	.			trans	-63.7	130.7	-172.3	-56.4	0	0	0	0	110	V118 R121 H189 P230 V232	V118-C123 HydrophobicContact CG1-CB 4.19Å; V118-C123 PolarHBondContact O-N 2.87Å; R121-C123 VanDerWaalsContact CB-SG 3.6Å; R121-C123 PolarHBondContact O-N 3.46Å; R121-C123 VanDerWaalsContact O-N 3.17Å; C123-H189 PolarHBondContact O-NE2 2.63Å; C123-P230 WeakPolarHBondContact CB-O 3.23Å; C123-P230 PolarHBondContact SG-O 3.37Å; C123-V232 HydrophobicContact CB-CG2 4.08Å
124	P	98.2	Very high	96.7	Very high	40 Å²	40	22.1 Å²	22.1	26%	0.26	10%	0.098	S	C	.	.	S	Bend	trans	-78.5	-24.6	-176.5	30.8	-35.3	0	0	0	112.3	L192 A223 Y229	P124-L192 PolarHBondContact O-N 3.14Å; P124-A223 HydrophobicContact CB-CB 4.49Å; P124-A223 HydrophobicContact CG-CB 4.23Å; P124-A223 WeakPolarHBondContact CG-O 3.43Å; P124-Y229 WeakPolarHBondContact CD-O 3.18Å; P124-Y229 WeakPolarHBondContact CG-O 3.49Å
125	A	98.6	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	160.2	-177.4	0	0	0	0	0	114.2	I127 L192 A223 P231 V232	A125-I127 HydrophobicContact CB-CD1 4.46Å; A125-L192 CarbonylContact C-O 3.57Å; A125-L192 WeakPolarHBondContact CA-O 3.2Å; A125-L192 HydrophobicContact CB-CB 4.05Å; A125-L192 WeakPolarHBondContact CB-O 3.37Å; A125-A223 HydrophobicContact CB-CB 3.5Å; A125-A223 VanDerWaalsContact CB-CB 3.5Å; A125-P231 HydrophobicContact CB-CB 4.43Å; A125-P231 WeakPolarHBondContact O-CA 3.29Å; A125-V232 PolarHBondContact O-N 3.43Å
126	I	98.8	Very high	95.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.6	170.3	-59.8	160.7	0	0	0	108.4	F114 W115 V118 Y143 V191 L192 H193 M194 V232	F114-I126 HydrophobicContact CE1-CD1 3.83Å; F114-I126 HydrophobicContact CE1-CG1 4.5Å; F114-I126 HydrophobicContact CZ-CD1 4.05Å; F114-I126 HydrophobicContact CZ-CG1 4.25Å; F114-I126 HydrophobicContact CZ-CG2 4.01Å; W115-I126 HydrophobicContact CE3-CD1 4.48Å; W115-I126 HydrophobicContact CH2-CD1 3.65Å; W115-I126 HydrophobicContact CZ3-CD1 3.63Å; V118-I126 HydrophobicContact CG2-CD1 4.18Å; V118-I126 HydrophobicContact CG2-CG1 4.31Å; I126-Y143 HydrophobicContact CD1-CE2 4.44Å; I126-Y143 WeakPolarHBondContact CG2-OH 3.49Å; I126-V191 HydrophobicContact CD1-CG1 3.82Å; I126-V191 HydrophobicContact CG1-CG1 3.89Å; I126-L192 PolarHBondContact N-O 3.07Å; I126-H193 CarbonylContact O-C 3.51Å; I126-H193 WeakPolarHBondContact O-CA 3.39Å; I126-M194 PolarHBondContact O-N 2.88Å; I126-V232 CarbonylContact C-O 3.56Å; I126-V232 VanDerWaalsContact CA-O 3.32Å; I126-V232 WeakPolarHBondContact CA-O 2.85Å; I126-V232 HydrophobicContact CG1-CB 4.25Å
127	I	98.6	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110	176.1	-48.6	-53.7	0	0	0	108.5	A125 L129 M194 F214 V218 V232 I233 H234 F245	A125-I127 HydrophobicContact CB-CD1 4.46Å; I127-L129 HydrophobicContact CG2-CD2 3.92Å; I127-L129 HydrophobicContact CG2-CG 4.3Å; I127-M194 WeakPolarHBondContact CA-O 3.49Å; I127-M194 HydrophobicContact CD1-CB 3.94Å; I127-M194 HydrophobicContact CD1-CG 4.34Å; I127-M194 HydrophobicContact CD1-SD 4.34Å; I127-F214 HydrophobicContact CG2-CE1 3.77Å; I127-F214 HydrophobicContact CG2-CZ 3.92Å; I127-V218 HydrophobicContact CD1-CB 4.46Å; I127-V218 HydrophobicContact CD1-CG1 3.77Å; I127-V218 HydrophobicContact CD1-CG2 3.77Å; I127-V218 HydrophobicContact CG1-CG1 4.3Å; I127-V232 PolarHBondContact N-O 2.98Å; I127-I233 HydrophobicContact CB-CB 4.48Å; I127-I233 HydrophobicContact CB-CG1 4.1Å; I127-I233 HydrophobicContact CB-CG2 4.33Å; I127-I233 HydrophobicContact CG1-CG1 4.2Å; I127-I233 WeakPolarHBondContact O-CA 3.48Å; I127-H234 PolarHBondContact O-N 3.14Å; I127-F245 HydrophobicContact CG2-CE1 4.24Å; I127-F245 HydrophobicContact CG2-CZ 4.27Å
128	M	98.1	Very high	94.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.9	-178.7	177.9	177.2	-171	0	0	109.6	N130 L132 C140 Y143 F144 M194 Q195 Y196 H234	M128-N130 VanDerWaalsContact CE-O 3.25Å; M128-N130 WeakPolarHBondContact CE-O 3.38Å; M128-L132 HydrophobicContact CE-CD2 3.62Å; M128-L132 HydrophobicContact CE-CG 4.43Å; M128-C140 HydrophobicContact CE-CB 4.31Å; M128-Y143 HydrophobicContact SD-CE1 4.23Å; M128-F144 HydrophobicContact SD-CE1 4.02Å; M128-M194 PolarHBondContact N-O 3.22Å; M128-Q195 HydrophobicContact CB-CB 4.15Å; M128-Q195 HydrophobicContact CB-CG 4.16Å; M128-Q195 HydrophobicContact CG-CB 4.47Å; M128-Q195 HydrophobicContact CG-CG 3.96Å; M128-Q195 CarbonylContact O-C 3.52Å; M128-Q195 VanDerWaalsContact O-CA 3.27Å; M128-Q195 WeakPolarHBondContact O-CA 3.34Å; M128-Q195 HydrophobicContact SD-CB 4.44Å; M128-Q195 HydrophobicContact SD-CG 3.9Å; M128-Y196 PolarHBondContact O-N 3.04Å; M128-H234 VanDerWaalsContact CG-CE1 3.49Å; M128-H234 WeakPolarHBondContact CG-CE1 3.25Å
129	L	97.2	Very high	94.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.			trans	-109.8	22	-173.9	-57.7	173.6	0	0	0	112.9	I127 W199 F214 I233 H234 C235 R241 F245	I127-L129 HydrophobicContact CG2-CD2 3.92Å; I127-L129 HydrophobicContact CG2-CG 4.3Å; L129-W199 HydrophobicContact CB-CE3 4.43Å; L129-W199 HydrophobicContact CD1-CZ3 4.27Å; L129-W199 HydrophobicContact CD2-CE3 4.33Å; L129-W199 HydrophobicContact CD2-CZ3 4.29Å; L129-F214 HydrophobicContact CD2-CE1 3.91Å; L129-I233 HydrophobicContact CD1-CG2 4.04Å; L129-H234 PolarHBondContact N-O 3.38Å; L129-C235 HydrophobicContact CB-CB 4.28Å; L129-R241 HydrophobicContact CB-CB 4.1Å; L129-R241 HydrophobicContact CD1-CB 4.32Å; L129-R241 VanDerWaalsContact O-CD 3.31Å; L129-R241 WeakPolarHBondContact O-CD 3.31Å; L129-R241 PolarHBondContact O-NH1 3.44Å; L129-F245 HydrophobicContact CD1-CB 3.71Å; L129-F245 HydrophobicContact CD1-CG 4.15Å; L129-F245 HydrophobicContact CD2-CD2 4.4Å
130	N	94.4	Very high	94.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.164	C	C	.	.	S	Bend	trans	-143.1	165	179.8	70.3	-70.8	0	0	0	112	M128 E134 C140 Q195 C235 R241	M128-N130 VanDerWaalsContact CE-O 3.25Å; M128-N130 WeakPolarHBondContact CE-O 3.38Å; N130-E134 WeakPolarHBondContact CA-OE1 3.31Å; N130-E134 WeakPolarHBondContact CB-OE1 3.23Å; N130-C140 WeakPolarHBondContact ND2-CB 3.37Å; N130-Q195 PolarHBondContact O-NE2 3.44Å; N130-C235 HydrophobicContact CB-CB 4.38Å; N130-C235 WeakPolarHBondContact OD1-CA 3.23Å; N130-C235 PolarHBondContact OD1-O 3.14Å; N130-R241 VanDerWaalsContact CA-NH1 3.31Å
131	R	92.1	Very high	94	Very high	120 Å²	120	32.5 Å²	32.5	45%	0.453	16%	0.161	S	C	.	.			trans	-87.5	158.9	163.1	-62.5	179.2	-68.3	176.9	-3.2	109.8	V133 E134	R131-V133 VanDerWaalsContact C-N 3.28Å; R131-V133 WeakPolarHBondContact CB-O 3.39Å; R131-V133 PolarHBondContact O-N 2.86Å; R131-E134 HydrophobicContact CB-CG 3.89Å; R131-E134 PolarHBondContact N-OE1 2.92Å
132	L	92.2	Very high	93.8	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	15%	0.152	C	C	.	.	S	Bend	trans	-62.4	-40.9	176.2	-62.5	-177	0	0	0	111.2	M128 L138 R139 C140 P142 F144 Y536 Y540	M128-L132 HydrophobicContact CE-CD2 3.62Å; M128-L132 HydrophobicContact CE-CG 4.43Å; L132-L138 CarbonylContact O-C 3.56Å; L132-R139 PolarHBondContact O-N 3.45Å; L132-C140 WeakPolarHBondContact CB-O 3.25Å; L132-C140 HydrophobicContact CD2-CB 3.9Å; L132-C140 WeakPolarHBondContact CD2-O 3.39Å; L132-C140 PolarHBondContact O-N 2.89Å; L132-C140 VanDerWaalsContact O-N 3.17Å; L132-P142 HydrophobicContact CD1-CB 3.71Å; L132-P142 HydrophobicContact CD1-CG 4Å; L132-F144 HydrophobicContact CD2-CE1 4.38Å; L132-Y536 HydrophobicContact CD1-CD1 4.36Å; L132-Y536 HydrophobicContact CD1-CE1 3.25Å; L132-Y536 WeakPolarHBondContact CD1-OH 3.34Å; L132-Y536 HydrophobicContact CG-CE1 4.11Å; L132-Y536 WeakPolarHBondContact CG-OH 3.43Å; L132-Y540 HydrophobicContact CD1-CD2 4.46Å
133	V	90.8	Very high	93.7	Very high	19 Å²	19	24.7 Å²	24.7	12%	0.115	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.2	176.7	-176.6	0	0	0	0	109.1	R131 S137 L138 A543	R131-V133 VanDerWaalsContact C-N 3.28Å; R131-V133 WeakPolarHBondContact CB-O 3.39Å; R131-V133 PolarHBondContact O-N 2.86Å; V133-S137 WeakPolarHBondContact CA-O 3.43Å; V133-L138 HydrophobicContact CG2-CD1 4.12Å; V133-A543 HydrophobicContact CB-CB 4.38Å; V133-A543 HydrophobicContact CG1-CB 3.74Å; V133-A543 HydrophobicContact CG2-CB 3.66Å
134	E	89.2	Confident	93.5	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.023	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	130.7	174.7	-58.7	176.2	155.1	0	0	108.7	N130 R131 G136 S137 R139 D201 R241	N130-E134 WeakPolarHBondContact CA-OE1 3.31Å; N130-E134 WeakPolarHBondContact CB-OE1 3.23Å; R131-E134 HydrophobicContact CB-CG 3.89Å; R131-E134 PolarHBondContact N-OE1 2.92Å; E134-G136 VanDerWaalsContact C-N 3.29Å; E134-G136 PolarHBondContact O-N 3.42Å; E134-S137 PolarHBondContact N-O 3.42Å; E134-S137 PolarHBondContact O-N 3.46Å; E134-S137 VanDerWaalsContact O-N 3.13Å; E134-R139 HydrophobicContact CB-CG 3.73Å; E134-R139 HydrophobicContact CG-CG 3.98Å; E134-D201 WeakPolarHBondContact OE2-CB 3.37Å; E134-R241 IonicContact OE1-CZ 2.71Å; E134-R241 IonicContact OE1-NH1 3.64Å; E134-R241 PolarHBondContact OE1-NH1 2.94Å; E134-R241 IonicContact OE1-NH2 3.61Å; E134-R241 IonicContact OE2-CZ 2.84Å; E134-R241 IonicContact OE2-NH1 2.81Å; E134-R241 PolarHBondContact OE2-NH1 2.85Å; E134-R241 IonicContact OE2-NH2 3.73Å; E134-R241 PolarHBondContact OE2-NH2 3.34Å
135	K	86.8	Confident	93.2	Very high	144 Å²	144	23 Å²	23	63%	0.626	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	47.6	-175.5	-56.2	-173.5	176.2	-168.5	0	111.9	S137	K135-S137 PolarHBondContact O-N 3.07Å
136	G	84.5	Confident	92.4	Very high	47 Å²	47	24.8 Å²	24.8	49%	0.485	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	-5.9	-179.1	0	0	0	0	0	116.5	E134 A543	E134-G136 VanDerWaalsContact C-N 3.29Å; E134-G136 PolarHBondContact O-N 3.42Å; G136-A543 WeakPolarHBondContact O-CB 3.3Å
137	S	86.8	Confident	91.2	Very high	35 Å²	35	30.5 Å²	30.5	25%	0.245	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.2	-175	179.9	0	0	0	0	112.3	V133 E134 K135 R139	V133-S137 WeakPolarHBondContact CA-O 3.43Å; E134-S137 PolarHBondContact N-O 3.42Å; E134-S137 PolarHBondContact O-N 3.46Å; E134-S137 VanDerWaalsContact O-N 3.13Å; K135-S137 PolarHBondContact O-N 3.07Å; S137-R139 PolarHBondContact O-N 2.99Å; S137-R139 VanDerWaalsContact O-N 3.11Å
138	L	91.3	Very high	89.9	Confident	16 Å²	16	34.2 Å²	34.2	8%	0.084	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	101	176.2	-173.1	68.7	0	0	0	111.9	R62 L132 V133 C140 Y540 A543 L547	R62-L138 PolarHBondContact NH1-O 3.19Å; L132-L138 CarbonylContact O-C 3.56Å; V133-L138 HydrophobicContact CG2-CD1 4.12Å; L138-C140 VanDerWaalsContact CD1-O 3.27Å; L138-C140 WeakPolarHBondContact CD1-O 3.28Å; L138-Y540 HydrophobicContact CD1-CD2 3.47Å; L138-Y540 VanDerWaalsContact CD1-CD2 3.47Å; L138-Y540 HydrophobicContact CD1-CE2 3.32Å; L138-Y540 HydrophobicContact CD2-CE2 3.97Å; L138-Y540 HydrophobicContact CG-CE2 4.3Å; L138-A543 HydrophobicContact CB-CB 4.47Å; L138-L547 HydrophobicContact CB-CD2 4.39Å; L138-L547 HydrophobicContact CD2-CD2 4.25Å
139	R	93.9	Very high	88.8	Confident	43 Å²	43	35.4 Å²	35.4	16%	0.162	21%	0.206	C	C	.	.			trans	-84.3	-26.6	-179.4	-62.2	-58.3	176.4	166.4	-1.1	113.9	R62 L132 E134 S137 D201 S236	R62-R139 PolarHBondContact NE-O 3.26Å; R62-R139 PolarHBondContact NH1-O 3.41Å; L132-R139 PolarHBondContact O-N 3.45Å; E134-R139 HydrophobicContact CB-CG 3.73Å; E134-R139 HydrophobicContact CG-CG 3.98Å; S137-R139 PolarHBondContact O-N 2.99Å; S137-R139 VanDerWaalsContact O-N 3.11Å; R139-D201 IonicContact CZ-OD2 2.78Å; R139-D201 IonicContact NE-OD2 3.23Å; R139-D201 IonicContact NH1-OD2 3.11Å; R139-D201 PolarHBondContact NH1-OD2 3.33Å; R139-D201 IonicContact NH2-OD2 3Å; R139-S236 PolarHBondContact O-OG 2.98Å
140	C	94.9	Very high	87.9	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-152.8	135.5	179.4	-177.2	0	0	0	0	109.4	M128 N130 L132 L138	M128-C140 HydrophobicContact CE-CB 4.31Å; N130-C140 WeakPolarHBondContact ND2-CB 3.37Å; L132-C140 WeakPolarHBondContact CB-O 3.25Å; L132-C140 HydrophobicContact CD2-CB 3.9Å; L132-C140 WeakPolarHBondContact CD2-O 3.39Å; L132-C140 PolarHBondContact O-N 2.89Å; L132-C140 VanDerWaalsContact O-N 3.17Å; L138-C140 VanDerWaalsContact CD1-O 3.27Å; L138-C140 WeakPolarHBondContact CD1-O 3.28Å
141	H	94.2	Very high	87.4	Confident	30 Å²	30	43.7 Å²	43.7	14%	0.139	26%	0.262	C	S	.	.			trans	-71.8	152.8	174.1	-169.4	73.9	0	0	0	109.9	P106 Y143 Y540	P106-H141 VanDerWaalsContact O-CB 3.23Å; P106-H141 WeakPolarHBondContact O-CB 3.29Å; P106-H141 PolarHBondContact O-N 2.97Å; H141-Y143 VanDerWaalsContact C-N 3.28Å; H141-Y143 WeakPolarHBondContact O-CD1 2.97Å; H141-Y143 PolarHBondContact O-N 3.36Å; H141-Y540 PolarHBondContact CE1-OH 3.48Å; H141-Y540 PolarHBondContact ND1-OH 3.24Å
142	P	92.1	Very high	87.4	Confident	16 Å²	16	40.2 Å²	40.2	10%	0.104	25%	0.254	C	S	.	.			trans	-73.1	87.2	177.3	2.1	16.5	0	0	0	107.7	L132 F144 Y146 Y540	L132-P142 HydrophobicContact CD1-CB 3.71Å; L132-P142 HydrophobicContact CD1-CG 4Å; P142-F144 PolarHBondContact O-N 2.86Å; P142-Y146 HydrophobicContact CB-CD1 4.32Å; P142-Y146 HydrophobicContact CB-CE1 3.68Å; P142-Y146 HydrophobicContact CG-CE1 4.48Å; P142-Y540 VanDerWaalsContact CD-CZ 3.4Å; P142-Y540 WeakPolarHBondContact CD-OH 3.39Å; P142-Y540 HydrophobicContact CG-CD1 4.17Å; P142-Y540 HydrophobicContact CG-CD2 3.74Å; P142-Y540 HydrophobicContact CG-CE1 3.79Å; P142-Y540 HydrophobicContact CG-CE2 3.32Å; P142-Y540 HydrophobicContact CG-CG 4.15Å
143	Y	95.9	Very high	87.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	26%	0.262	C	S	.	.			trans	-84.8	5.3	-175.6	67.9	-88.6	0	0	0	112.4	P106 F114 W115 I126 M128 H141 L153 H193 H234	P106-Y143 HydrophobicContact CB-CD1 4.35Å; P106-Y143 HydrophobicContact CB-CG 4.28Å; P106-Y143 HydrophobicContact CG-CD1 3.9Å; P106-Y143 HydrophobicContact CG-CD2 4.46Å; P106-Y143 HydrophobicContact CG-CE1 4.47Å; P106-Y143 HydrophobicContact CG-CG 3.9Å; F114-Y143 AromaticContact CD1-CD2 3.85Å; F114-Y143 HydrophobicContact CD1-CD2 3.85Å; F114-Y143 HydrophobicContact CD1-CE2 4.18Å; F114-Y143 AromaticContact CE1-CD2 3.57Å; F114-Y143 HydrophobicContact CE1-CD2 3.57Å; F114-Y143 AromaticContact CE1-CE2 3.41Å; F114-Y143 HydrophobicContact CE1-CE2 3.41Å; F114-Y143 VanDerWaalsContact CE1-CE2 3.41Å; F114-Y143 HydrophobicContact CZ-CD2 4.27Å; F114-Y143 AromaticContact CZ-CE2 3.8Å; F114-Y143 HydrophobicContact CZ-CE2 3.8Å; W115-Y143 AromaticContact CE2-CD2 3.99Å; W115-Y143 AromaticContact CZ2-CD2 3.82Å; W115-Y143 HydrophobicContact CZ2-CD2 3.82Å; W115-Y143 HydrophobicContact CZ2-CE2 4.07Å; W115-Y143 AromaticContact NE1-CD2 3.93Å; W115-Y143 PolarHBondContact NE1-O 3.35Å; I126-Y143 HydrophobicContact CD1-CE2 4.44Å; I126-Y143 WeakPolarHBondContact CG2-OH 3.49Å; M128-Y143 HydrophobicContact SD-CE1 4.23Å; H141-Y143 VanDerWaalsContact C-N 3.28Å; H141-Y143 WeakPolarHBondContact O-CD1 2.97Å; H141-Y143 PolarHBondContact O-N 3.36Å; Y143-L153 WeakPolarHBondContact O-CD2 3.47Å; Y143-H193 AromaticContact CZ-NE2 3.78Å; Y143-H193 PolarHBondContact OH-CD2 3.48Å; Y143-H193 VanDerWaalsContact OH-CD2 3.24Å; Y143-H193 PolarHBondContact OH-NE2 2.83Å; Y143-H234 AromaticContact CE1-CE1 3.86Å; Y143-H234 AromaticContact CE1-NE2 3.65Å; Y143-H234 AromaticContact CZ-NE2 3.57Å; Y143-H234 PolarHBondContact OH-NE2 3.3Å
144	F	95.2	Very high	87.6	Confident	3 Å²	3	47.6 Å²	47.6	1%	0.013	29%	0.286	C	S	.	.	S	Bend	trans	-133.4	156.2	-176.3	50.4	-95.4	0	0	0	111.2	W115 M128 L132 P142 Y146 F178	W115-F144 HydrophobicContact CZ2-CB 4.31Å; M128-F144 HydrophobicContact SD-CE1 4.02Å; L132-F144 HydrophobicContact CD2-CE1 4.38Å; P142-F144 PolarHBondContact O-N 2.86Å; F144-Y146 WeakPolarHBondContact O-CD1 3.44Å; F144-F178 HydrophobicContact CB-CE1 3.96Å; F144-F178 HydrophobicContact CB-CE2 3.94Å; F144-F178 HydrophobicContact CB-CZ 3.41Å; F144-F178 VanDerWaalsContact CB-CZ 3.41Å; F144-F178 HydrophobicContact CD2-CZ 4.12Å; F144-F178 HydrophobicContact CG-CE2 4.49Å; F144-F178 AromaticContact CG-CZ 3.91Å; F144-F178 HydrophobicContact CG-CZ 3.91Å
145	P	92.2	Very high	87.9	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	29%	0.286	C	S	.	.			trans	-62.8	138.1	168.4	-19	31	0	0	0	111.7	P150 L153 V162 L164	P145-P150 WeakPolarHBondContact CB-O 3.46Å; P145-L153 HydrophobicContact CG-CB 4.09Å; P145-V162 HydrophobicContact CG-CG1 4.44Å; P145-V162 WeakPolarHBondContact CG-O 3.5Å; P145-L164 HydrophobicContact CB-CB 4.11Å
146	Y	82.3	Confident	88	Confident	37 Å²	37	47.6 Å²	47.6	15%	0.145	29%	0.288	C	S	.	.			trans	-145.8	162	177.4	60.9	-86.1	0	0	0	110.6	P142 F144 G148 G149 Y536	P142-Y146 HydrophobicContact CB-CD1 4.32Å; P142-Y146 HydrophobicContact CB-CE1 3.68Å; P142-Y146 HydrophobicContact CG-CE1 4.48Å; F144-Y146 WeakPolarHBondContact O-CD1 3.44Å; Y146-G148 PolarHBondContact O-N 3.45Å; Y146-G149 WeakPolarHBondContact O-CA 3.4Å; Y146-G149 PolarHBondContact O-N 3.33Å; Y146-Y536 HydrophobicContact CD2-CD1 4.37Å; Y146-Y536 HydrophobicContact CE2-CD1 4.46Å
147	D	72.7	Confident	88.3	Confident	120 Å²	120	49.8 Å²	49.8	64%	0.642	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	125.1	178	-73.6	-17.7	0	0	0	111.1	G149	D147-G149 VanDerWaalsContact C-N 3.3Å
148	G	71.6	Confident	88.7	Confident	78 Å²	78	49 Å²	49	80%	0.804	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	-13	-172.1	0	0	0	0	0	114.4	Y146	Y146-G148 PolarHBondContact O-N 3.45Å
149	G	73.8	Confident	88.9	Confident	26 Å²	26	50.1 Å²	50.1	27%	0.268	29%	0.289	S	S	.	.	S	Bend	trans	-92.9	-170.6	168.8	0	0	0	0	0	113.2	Y146 D147 S151	Y146-G149 WeakPolarHBondContact O-CA 3.4Å; Y146-G149 PolarHBondContact O-N 3.33Å; D147-G149 VanDerWaalsContact C-N 3.3Å; G149-S151 PolarHBondContact O-N 3.15Å
150	P	79.6	Confident	89.1	Confident	76 Å²	76	48.1 Å²	48.1	49%	0.494	28%	0.281	S	S	.	.			trans	-65.5	133.5	170	28.3	-33	0	0	0	110	P145 V152	P145-P150 WeakPolarHBondContact CB-O 3.46Å; P150-V152 PolarHBondContact O-N 3.43Å
151	S	82.8	Confident	89.2	Confident	98 Å²	98	49.2 Å²	49.2	69%	0.685	29%	0.289	S	S	*	.	S	Bend	trans	-65.5	-26.8	177.4	59.4	0	0	0	0	113.1	G149	G149-S151 PolarHBondContact O-N 3.15Å
152	V	92	Very high	89.4	Confident	47 Å²	47	47.8 Å²	47.8	29%	0.285	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.9	176.6	-179.3	0	0	0	0	108.4	P150 K154 V162 E163	P150-V152 PolarHBondContact O-N 3.43Å; V152-K154 HydrophobicContact CG1-CG 4.28Å; V152-V162 WeakPolarHBondContact CA-O 3.42Å; V152-E163 HydrophobicContact CG2-CB 4.3Å; V152-E163 HydrophobicContact CG2-CG 4.23Å
153	L	94	Very high	89.5	Confident	33 Å²	33	51.7 Å²	51.7	17%	0.173	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	111.1	171.2	-179.4	66.8	0	0	0	108.4	V111 Y143 P145 L155 S161 V162	V111-L153 HydrophobicContact CG1-CD2 3.9Å; Y143-L153 WeakPolarHBondContact O-CD2 3.47Å; P145-L153 HydrophobicContact CG-CB 4.09Å; L153-L155 HydrophobicContact CD1-CD2 4.29Å; L153-L155 HydrophobicContact CD2-CD2 3.82Å; L153-L155 HydrophobicContact CG-CD2 3.71Å; L153-L155 HydrophobicContact CG-CG 4.23Å; L153-S161 CarbonylContact O-C 3.59Å; L153-S161 WeakPolarHBondContact O-CA 3.42Å; L153-V162 HydrophobicContact CB-CB 4.33Å; L153-V162 PolarHBondContact N-O 3.14Å; L153-V162 PolarHBondContact O-N 2.78Å
154	K	94.3	Very high	89.5	Confident	145 Å²	145	53.3 Å²	53.3	63%	0.63	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.4	176.3	-65.2	-175.1	178.8	-176.1	0	109.9	V152	V152-K154 HydrophobicContact CG1-CG 4.28Å
155	L	94.8	Very high	89.4	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	72.4	-174.9	-51.6	167.8	0	0	0	108.3	V111 N112 W115 L153 D157 V158 D159 L160 V162	V111-L155 HydrophobicContact CG1-CD2 3.83Å; N112-L155 WeakPolarHBondContact OD1-CD2 3.3Å; W115-L155 HydrophobicContact CB-CD1 3.44Å; W115-L155 VanDerWaalsContact CB-CD1 3.44Å; W115-L155 HydrophobicContact CG-CD1 3.62Å; L153-L155 HydrophobicContact CD1-CD2 4.29Å; L153-L155 HydrophobicContact CD2-CD2 3.82Å; L153-L155 HydrophobicContact CG-CD2 3.71Å; L153-L155 HydrophobicContact CG-CG 4.23Å; L155-D157 VanDerWaalsContact C-N 3.26Å; L155-D157 PolarHBondContact O-N 3.07Å; L155-V158 HydrophobicContact CB-CG2 3.68Å; L155-V158 WeakPolarHBondContact O-CG2 3.39Å; L155-V158 PolarHBondContact O-N 2.9Å; L155-D159 PolarHBondContact O-N 3.3Å; L155-D159 VanDerWaalsContact O-N 3.08Å; L155-L160 WeakPolarHBondContact CA-O 3.23Å; L155-L160 HydrophobicContact CB-CB 4.27Å; L155-L160 WeakPolarHBondContact CB-O 3.48Å; L155-L160 HydrophobicContact CD1-CB 4.04Å; L155-L160 PolarHBondContact N-O 3.48Å; L155-L160 PolarHBondContact O-N 3.13Å; L155-V162 HydrophobicContact CD1-CG2 3.95Å
156	E	89.2	Confident	89.4	Confident	146 Å²	146	58.4 Å²	58.4	68%	0.682	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-61.1	-32.6	-169.5	-63.1	-176.5	173.5	0	0	113.1	V158 D159	E156-V158 PolarHBondContact O-N 2.94Å; E156-D159 PolarHBondContact O-N 3.46Å
157	D	90.6	Very high	89.9	Confident	94 Å²	94	59.4 Å²	59.4	50%	0.503	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-61.7	-29	-179.9	-66.3	-23.1	0	0	0	113.4	R80 N112 L155	R80-D157 PolarHBondContact NE-O 3.06Å; N112-D157 PolarHBondContact ND2-OD2 3.37Å; L155-D157 VanDerWaalsContact C-N 3.26Å; L155-D157 PolarHBondContact O-N 3.07Å
158	V	95	Very high	90.8	Very high	17 Å²	17	57.7 Å²	57.7	10%	0.103	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-118.7	8.8	-174.9	-62	0	0	0	0	112.9	N112 L116 L155 E156 L160	N112-V158 HydrophobicContact CB-CG1 4.09Å; N112-V158 HydrophobicContact CB-CG2 4.2Å; L116-V158 HydrophobicContact CB-CB 4.28Å; L116-V158 HydrophobicContact CB-CG1 4.06Å; L116-V158 HydrophobicContact CD1-CB 4.31Å; L116-V158 HydrophobicContact CD2-CG1 3.89Å; L116-V158 HydrophobicContact CG-CG1 4.39Å; L155-V158 HydrophobicContact CB-CG2 3.68Å; L155-V158 WeakPolarHBondContact O-CG2 3.39Å; L155-V158 PolarHBondContact O-N 2.9Å; E156-V158 PolarHBondContact O-N 2.94Å; V158-L160 HydrophobicContact CG2-CB 4.12Å; V158-L160 HydrophobicContact CG2-CD1 4.1Å; V158-L160 HydrophobicContact CG2-CG 4.06Å; V158-L160 PolarHBondContact O-N 3.04Å
159	D	95.8	Very high	91.7	Very high	40 Å²	40	58.7 Å²	58.7	21%	0.214	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	35.4	179.5	-55	-71.2	0	0	0	114.2	L155 E156 I183 K184	L155-D159 PolarHBondContact O-N 3.3Å; L155-D159 VanDerWaalsContact O-N 3.08Å; E156-D159 PolarHBondContact O-N 3.46Å; D159-I183 WeakPolarHBondContact O-CB 3.21Å; D159-I183 WeakPolarHBondContact O-CG1 3.4Å; D159-I183 PolarHBondContact O-N 3.32Å; D159-K184 HydrophobicContact CB-CD 4.07Å; D159-K184 HydrophobicContact CB-CG 4.19Å; D159-K184 VanDerWaalsContact CG-NZ 3.31Å; D159-K184 WeakPolarHBondContact OD1-CE 3.48Å; D159-K184 IonicContact OD1-NZ 2.63Å; D159-K184 PolarHBondContact OD1-NZ 3.19Å; D159-K184 WeakPolarHBondContact OD2-CE 3.45Å; D159-K184 IonicContact OD2-NZ 3.42Å; D159-K184 PolarHBondContact OD2-NZ 3.46Å
160	L	97.7	Very high	92.2	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	152.4	178.2	-62.2	178.8	0	0	0	111.5	W115 W119 L155 V158 I180 T181 N182 I183	W115-L160 HydrophobicContact CB-CD1 4.35Å; W119-L160 HydrophobicContact CB-CD1 3.74Å; W119-L160 HydrophobicContact CB-CD2 4.38Å; W119-L160 HydrophobicContact CD2-CD2 3.72Å; W119-L160 HydrophobicContact CE3-CD2 3.97Å; W119-L160 HydrophobicContact CG-CD1 4.12Å; W119-L160 HydrophobicContact CG-CD2 3.89Å; L155-L160 WeakPolarHBondContact CA-O 3.23Å; L155-L160 HydrophobicContact CB-CB 4.27Å; L155-L160 WeakPolarHBondContact CB-O 3.48Å; L155-L160 HydrophobicContact CD1-CB 4.04Å; L155-L160 PolarHBondContact N-O 3.48Å; L155-L160 PolarHBondContact O-N 3.13Å; V158-L160 HydrophobicContact CG2-CB 4.12Å; V158-L160 HydrophobicContact CG2-CD1 4.1Å; V158-L160 HydrophobicContact CG2-CG 4.06Å; V158-L160 PolarHBondContact O-N 3.04Å; L160-I180 HydrophobicContact CB-CG2 4.43Å; L160-I180 HydrophobicContact CD1-CG2 4.33Å; L160-I180 HydrophobicContact CD2-CG2 4.24Å; L160-T181 CarbonylContact C-O 3.54Å; L160-T181 WeakPolarHBondContact CA-O 3.34Å; L160-N182 HydrophobicContact CD2-CB 4.23Å; L160-I183 WeakPolarHBondContact O-CD1 3.29Å
161	S	97.4	Very high	92.4	Very high	24 Å²	24	66.2 Å²	66.2	17%	0.168	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.7	166	58.2	0	0	0	0	109.8	L153 I180 T181	L153-S161 CarbonylContact O-C 3.59Å; L153-S161 WeakPolarHBondContact O-CA 3.42Å; S161-I180 CarbonylContact O-C 3.52Å; S161-I180 VanDerWaalsContact O-CA 3.31Å; S161-I180 WeakPolarHBondContact O-CA 3.19Å; S161-T181 PolarHBondContact N-O 2.85Å; S161-T181 PolarHBondContact O-N 3.12Å; S161-T181 PolarHBondContact OG-O 3.14Å
162	V	97.8	Very high	92.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.6	179.9	-173.1	0	0	0	0	109	W115 P145 V152 L153 L155 F178 I179 I180	W115-V162 HydrophobicContact CD2-CG2 3.68Å; W115-V162 HydrophobicContact CE3-CG2 4.02Å; W115-V162 HydrophobicContact CG-CG2 3.97Å; W115-V162 HydrophobicContact CH2-CG1 3.77Å; W115-V162 HydrophobicContact CZ2-CB 4.49Å; W115-V162 HydrophobicContact CZ2-CG1 3.77Å; W115-V162 HydrophobicContact CZ2-CG2 4.24Å; W115-V162 HydrophobicContact CZ3-CG1 4.21Å; W115-V162 HydrophobicContact CZ3-CG2 4.43Å; P145-V162 HydrophobicContact CG-CG1 4.44Å; P145-V162 WeakPolarHBondContact CG-O 3.5Å; V152-V162 WeakPolarHBondContact CA-O 3.42Å; L153-V162 HydrophobicContact CB-CB 4.33Å; L153-V162 PolarHBondContact N-O 3.14Å; L153-V162 PolarHBondContact O-N 2.78Å; L155-V162 HydrophobicContact CD1-CG2 3.95Å; V162-F178 HydrophobicContact CG1-CB 3.99Å; V162-F178 HydrophobicContact CG1-CD1 4.14Å; V162-F178 HydrophobicContact CG1-CG 4.12Å; V162-I179 WeakPolarHBondContact CA-O 3.35Å; V162-I180 HydrophobicContact CG2-CG1 4.34Å; V162-I180 HydrophobicContact CG2-CG2 4.38Å
163	E	95.8	Very high	92.4	Very high	98 Å²	98	62.7 Å²	62.7	46%	0.458	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.9	179.6	-178.6	177.4	175.8	0	0	110.6	V152 F178 I179	V152-E163 HydrophobicContact CG2-CB 4.3Å; V152-E163 HydrophobicContact CG2-CG 4.23Å; E163-F178 CarbonylContact O-C 3.59Å; E163-F178 VanDerWaalsContact O-CA 3.25Å; E163-F178 WeakPolarHBondContact O-CA 3.4Å; E163-I179 PolarHBondContact N-O 2.92Å; E163-I179 PolarHBondContact O-N 3.47Å
164	L	94.8	Very high	92.3	Very high	34 Å²	34	62.5 Å²	62.5	18%	0.178	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	112.1	171.1	176.2	63.2	0	0	0	109.8	P145 C166 E167 R176 F178	P145-L164 HydrophobicContact CB-CB 4.11Å; L164-C166 WeakPolarHBondContact CD1-O 3.39Å; L164-E167 HydrophobicContact CD1-CB 4.49Å; L164-E167 HydrophobicContact CD2-CB 4.49Å; L164-R176 HydrophobicContact CD1-CB 3.74Å; L164-R176 HydrophobicContact CD1-CG 3.96Å; L164-F178 HydrophobicContact CB-CD1 4.26Å; L164-F178 HydrophobicContact CB-CE1 4.08Å; L164-F178 HydrophobicContact CD1-CD1 4.11Å; L164-F178 HydrophobicContact CD1-CE1 3.69Å; L164-F178 HydrophobicContact CD1-CZ 4.47Å; L164-F178 HydrophobicContact CG-CE1 4.46Å
165	A	93.3	Very high	92.4	Very high	57 Å²	57	56.7 Å²	56.7	47%	0.471	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-40.1	177.2	0	0	0	0	0	112.6	K177 I179	A165-K177 HydrophobicContact CB-CB 4.36Å; A165-K177 WeakPolarHBondContact CB-O 3.2Å; A165-K177 PolarHBondContact N-O 3.13Å; A165-I179 HydrophobicContact CB-CD1 3.97Å; A165-I179 HydrophobicContact CB-CG1 4.06Å
166	C	92.2	Very high	92.5	Very high	53 Å²	53	57 Å²	57	36%	0.358	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	153.3	174.1	66.6	0	0	0	0	111.7	L164 R176 K177	L164-C166 WeakPolarHBondContact CD1-O 3.39Å; C166-R176 CarbonylContact O-C 3.51Å; C166-R176 VanDerWaalsContact O-CA 3.27Å; C166-R176 WeakPolarHBondContact O-CA 3.32Å; C166-K177 PolarHBondContact O-N 2.49Å
167	E	93.3	Very high	92.8	Very high	59 Å²	59	55.6 Å²	55.6	28%	0.276	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.3	171	-178.2	173.6	115.6	0	0	109.9	L164 N169 I174 S175 R176	L164-E167 HydrophobicContact CD1-CB 4.49Å; L164-E167 HydrophobicContact CD2-CB 4.49Å; E167-N169 WeakPolarHBondContact CG-OD1 3.49Å; E167-N169 PolarHBondContact OE1-ND2 3.02Å; E167-N169 PolarHBondContact OE1-OD1 2.74Å; E167-I174 HydrophobicContact CG-CG2 3.78Å; E167-S175 CarbonylContact C-O 3.58Å; E167-S175 WeakPolarHBondContact CA-O 3.44Å; E167-R176 HydrophobicContact CB-CG 4.11Å; E167-R176 HydrophobicContact CG-CG 3.88Å; E167-R176 IonicContact OE2-CZ 3.73Å; E167-R176 VanDerWaalsContact OE2-CZ 3.29Å; E167-R176 IonicContact OE2-NE 2.88Å; E167-R176 PolarHBondContact OE2-NE 2.78Å; E167-R176 IonicContact OE2-NH2 3.68Å; E167-R176 PolarHBondContact OE2-NH2 3.12Å; E167-R176 VanDerWaalsContact OE2-NH2 3.1Å
168	T	91.9	Very high	93.1	Very high	84 Å²	84	51.1 Å²	51.1	52%	0.515	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.6	174	-57.8	0	0	0	0	108.6	S175	T168-S175 PolarHBondContact N-O 3.46Å; T168-S175 PolarHBondContact O-N 3.49Å
169	N	89.6	Confident	93.3	Very high	98 Å²	98	52.2 Å²	52.2	52%	0.524	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.2	-179.1	-65.7	-27.9	0	0	0	110.2	E167 I174	E167-N169 WeakPolarHBondContact CG-OD1 3.49Å; E167-N169 PolarHBondContact OE1-ND2 3.02Å; E167-N169 PolarHBondContact OE1-OD1 2.74Å; N169-I174 WeakPolarHBondContact OD1-CG1 3.37Å; N169-I174 WeakPolarHBondContact OD1-CG2 3.46Å
170	T	85.2	Confident	93.4	Very high	61 Å²	61	50.3 Å²	50.3	37%	0.374	27%	0.269	S	S	.	.			trans	-105.3	174.6	170	76.5	0	0	0	0	109.6	T172 F173	T170-T172 PolarHBondContact O-N 3.03Å; T170-T172 PolarHBondContact OG1-N 3.49Å; T170-F173 WeakPolarHBondContact CB-O 3.29Å; T170-F173 HydrophobicContact CG2-CE1 4.21Å; T170-F173 HydrophobicContact CG2-CE2 4.37Å; T170-F173 HydrophobicContact CG2-CZ 4.07Å; T170-F173 PolarHBondContact N-O 3.39Å; T170-F173 WeakPolarHBondContact OG1-CD1 3.44Å; T170-F173 PolarHBondContact OG1-N 2.92Å; T170-F173 PolarHBondContact OG1-O 3.35Å
171	K	82.2	Confident	93.4	Very high	200 Å²	200	51.8 Å²	51.8	87%	0.87	28%	0.278	S	S	*	.	S	Bend	trans	-65.1	-26.4	176.7	-67.2	-173.3	177.8	-174.6	0	113.6
172	T	83.2	Confident	93.4	Very high	47 Å²	47	51.9 Å²	51.9	29%	0.288	28%	0.276	S	S	.	.	S	Bend	trans	-111.7	-26.7	-170.1	48.8	0	0	0	0	113.5	T170 T197 A210	T170-T172 PolarHBondContact O-N 3.03Å; T170-T172 PolarHBondContact OG1-N 3.49Å; T172-T197 PolarHBondContact O-N 2.65Å; T172-T197 PolarHBondContact O-OG1 2.95Å; T172-A210 HydrophobicContact CG2-CB 4.41Å
173	F	91.6	Very high	93.3	Very high	23 Å²	23	55.7 Å²	55.7	10%	0.101	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	159.3	179.3	69.1	-86.1	0	0	0	112.5	T170 M194 Q195 F214	T170-F173 WeakPolarHBondContact CB-O 3.29Å; T170-F173 HydrophobicContact CG2-CE1 4.21Å; T170-F173 HydrophobicContact CG2-CE2 4.37Å; T170-F173 HydrophobicContact CG2-CZ 4.07Å; T170-F173 PolarHBondContact N-O 3.39Å; T170-F173 WeakPolarHBondContact OG1-CD1 3.44Å; T170-F173 PolarHBondContact OG1-N 2.92Å; T170-F173 PolarHBondContact OG1-O 3.35Å; F173-M194 HydrophobicContact CD2-CE 4.1Å; F173-M194 HydrophobicContact CE2-CE 3.65Å; F173-M194 HydrophobicContact CZ-CE 4.17Å; F173-Q195 CarbonylContact C-O 3.52Å; F173-Q195 WeakPolarHBondContact CA-O 3.36Å; F173-Q195 WeakPolarHBondContact CB-O 3.5Å; F173-F214 HydrophobicContact CB-CD2 3.64Å; F173-F214 HydrophobicContact CB-CE2 3.6Å; F173-F214 AromaticContact CD1-CD2 3.65Å; F173-F214 HydrophobicContact CD1-CD2 3.65Å; F173-F214 HydrophobicContact CD1-CE2 4.28Å; F173-F214 HydrophobicContact CD2-CD2 4.13Å; F173-F214 AromaticContact CD2-CE2 3.97Å; F173-F214 HydrophobicContact CD2-CE2 3.97Å; F173-F214 HydrophobicContact CE1-CD2 4.31Å; F173-F214 AromaticContact CG-CD2 3.54Å; F173-F214 HydrophobicContact CG-CD2 3.54Å; F173-F214 AromaticContact CG-CE2 3.71Å; F173-F214 HydrophobicContact CG-CE2 3.71Å
174	I	93.6	Very high	93.2	Very high	29 Å²	29	57.9 Å²	57.9	15%	0.149	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.1	171.9	-59.3	171.9	0	0	0	108.3	E167 N169 R176 M194 Q195 T197	E167-I174 HydrophobicContact CG-CG2 3.78Å; N169-I174 WeakPolarHBondContact OD1-CG1 3.37Å; N169-I174 WeakPolarHBondContact OD1-CG2 3.46Å; I174-R176 HydrophobicContact CG2-CG 4.12Å; I174-R176 VanDerWaalsContact CG2-CZ 3.49Å; I174-M194 CarbonylContact O-C 3.58Å; I174-M194 WeakPolarHBondContact O-CA 3.44Å; I174-Q195 HydrophobicContact CB-CB 4.34Å; I174-Q195 PolarHBondContact N-O 2.92Å; I174-Q195 PolarHBondContact O-N 2.96Å; I174-T197 HydrophobicContact CD1-CG2 3.8Å; I174-T197 HydrophobicContact CG1-CG2 3.85Å
175	S	95.7	Very high	93.2	Very high	24 Å²	24	59.7 Å²	59.7	17%	0.168	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.5	173.9	-174.2	0	0	0	0	110.3	E167 T168 H193	E167-S175 CarbonylContact C-O 3.58Å; E167-S175 WeakPolarHBondContact CA-O 3.44Å; T168-S175 PolarHBondContact N-O 3.46Å; T168-S175 PolarHBondContact O-N 3.49Å; S175-H193 CarbonylContact C-O 3.54Å; S175-H193 WeakPolarHBondContact CA-O 3.48Å
176	R	95.9	Very high	93.3	Very high	9 Å²	9	63 Å²	63	3%	0.034	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.7	175.9	-60	172.4	-176.9	97.2	6.4	110.3	L164 C166 E167 I174 F178 H193	L164-R176 HydrophobicContact CD1-CB 3.74Å; L164-R176 HydrophobicContact CD1-CG 3.96Å; C166-R176 CarbonylContact O-C 3.51Å; C166-R176 VanDerWaalsContact O-CA 3.27Å; C166-R176 WeakPolarHBondContact O-CA 3.32Å; E167-R176 HydrophobicContact CB-CG 4.11Å; E167-R176 HydrophobicContact CG-CG 3.88Å; E167-R176 IonicContact OE2-CZ 3.73Å; E167-R176 VanDerWaalsContact OE2-CZ 3.29Å; E167-R176 IonicContact OE2-NE 2.88Å; E167-R176 PolarHBondContact OE2-NE 2.78Å; E167-R176 IonicContact OE2-NH2 3.68Å; E167-R176 PolarHBondContact OE2-NH2 3.12Å; E167-R176 VanDerWaalsContact OE2-NH2 3.1Å; I174-R176 HydrophobicContact CG2-CG 4.12Å; I174-R176 VanDerWaalsContact CG2-CZ 3.49Å; R176-F178 HydrophobicContact CB-CE1 4.33Å; R176-F178 HydrophobicContact CB-CE2 4.19Å; R176-F178 HydrophobicContact CB-CZ 3.93Å; R176-F178 HydrophobicContact CG-CZ 4.37Å; R176-H193 HydrophobicContact CB-CB 4.13Å; R176-H193 PolarHBondContact N-O 2.99Å; R176-H193 PolarHBondContact NH1-CE1 3.43Å; R176-H193 VanDerWaalsContact NH1-CE1 3.29Å; R176-H193 PolarHBondContact NH1-ND1 3.22Å; R176-H193 PolarHBondContact O-N 3.19Å
177	K	96.7	Very high	93.6	Very high	116 Å²	116	66.2 Å²	66.2	50%	0.504	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.7	165.5	-65.5	-175.2	-173.7	174.8	0	108.6	A165 C166 L192	A165-K177 HydrophobicContact CB-CB 4.36Å; A165-K177 WeakPolarHBondContact CB-O 3.2Å; A165-K177 PolarHBondContact N-O 3.13Å; C166-K177 PolarHBondContact O-N 2.49Å; K177-L192 HydrophobicContact CG-CD1 4.41Å
178	F	97.5	Very high	93.8	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	147.4	173.1	-63.1	-57.2	0	0	0	110.7	W115 F144 V162 E163 L164 R176 H190 V191 H193	W115-F178 HydrophobicContact CH2-CB 4.44Å; W115-F178 AromaticContact CH2-CD2 3.78Å; W115-F178 HydrophobicContact CH2-CD2 3.78Å; W115-F178 HydrophobicContact CH2-CE2 4.3Å; W115-F178 HydrophobicContact CH2-CG 4.21Å; F144-F178 HydrophobicContact CB-CE1 3.96Å; F144-F178 HydrophobicContact CB-CE2 3.94Å; F144-F178 HydrophobicContact CB-CZ 3.41Å; F144-F178 VanDerWaalsContact CB-CZ 3.41Å; F144-F178 HydrophobicContact CD2-CZ 4.12Å; F144-F178 HydrophobicContact CG-CE2 4.49Å; F144-F178 AromaticContact CG-CZ 3.91Å; F144-F178 HydrophobicContact CG-CZ 3.91Å; V162-F178 HydrophobicContact CG1-CB 3.99Å; V162-F178 HydrophobicContact CG1-CD1 4.14Å; V162-F178 HydrophobicContact CG1-CG 4.12Å; E163-F178 CarbonylContact O-C 3.59Å; E163-F178 VanDerWaalsContact O-CA 3.25Å; E163-F178 WeakPolarHBondContact O-CA 3.4Å; L164-F178 HydrophobicContact CB-CD1 4.26Å; L164-F178 HydrophobicContact CB-CE1 4.08Å; L164-F178 HydrophobicContact CD1-CD1 4.11Å; L164-F178 HydrophobicContact CD1-CE1 3.69Å; L164-F178 HydrophobicContact CD1-CZ 4.47Å; L164-F178 HydrophobicContact CG-CE1 4.46Å; R176-F178 HydrophobicContact CB-CE1 4.33Å; R176-F178 HydrophobicContact CB-CE2 4.19Å; R176-F178 HydrophobicContact CB-CZ 3.93Å; R176-F178 HydrophobicContact CG-CZ 4.37Å; F178-H190 WeakPolarHBondContact O-CA 3.42Å; F178-V191 PolarHBondContact N-O 3.34Å; F178-V191 PolarHBondContact O-N 3.41Å; F178-H193 HydrophobicContact CD2-CB 3.68Å; F178-H193 HydrophobicContact CE2-CB 3.31Å; F178-H193 AromaticContact CE2-CD2 4Å; F178-H193 AromaticContact CE2-CG 3.59Å; F178-H193 HydrophobicContact CZ-CB 4.34Å
179	I	97.5	Very high	94	Very high	40 Å²	40	64.4 Å²	64.4	21%	0.205	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	114.5	166.9	-54.5	177.1	0	0	0	106.1	V162 E163 A165 A188	V162-I179 WeakPolarHBondContact CA-O 3.35Å; E163-I179 PolarHBondContact N-O 2.92Å; E163-I179 PolarHBondContact O-N 3.47Å; A165-I179 HydrophobicContact CB-CD1 3.97Å; A165-I179 HydrophobicContact CB-CG1 4.06Å; I179-A188 HydrophobicContact CG2-CB 4.08Å
180	I	97.9	Very high	94.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.8	171.1	-49.2	172.2	0	0	0	107	W115 V118 W119 L160 S161 V162 A188 H189 V191	W115-I180 HydrophobicContact CE3-CD1 3.47Å; W115-I180 VanDerWaalsContact CE3-CD1 3.47Å; W115-I180 HydrophobicContact CE3-CG1 3.95Å; W115-I180 HydrophobicContact CZ3-CD1 3.56Å; W115-I180 HydrophobicContact CZ3-CG1 3.87Å; V118-I180 HydrophobicContact CB-CD1 4.35Å; V118-I180 HydrophobicContact CG1-CD1 3.48Å; V118-I180 VanDerWaalsContact CG1-CD1 3.48Å; W119-I180 HydrophobicContact CE3-CB 4.17Å; W119-I180 HydrophobicContact CE3-CG2 3.67Å; W119-I180 HydrophobicContact CZ3-CB 4.46Å; W119-I180 HydrophobicContact CZ3-CG2 4.23Å; L160-I180 HydrophobicContact CB-CG2 4.43Å; L160-I180 HydrophobicContact CD1-CG2 4.33Å; L160-I180 HydrophobicContact CD2-CG2 4.24Å; S161-I180 CarbonylContact O-C 3.52Å; S161-I180 VanDerWaalsContact O-CA 3.31Å; S161-I180 WeakPolarHBondContact O-CA 3.19Å; V162-I180 HydrophobicContact CG2-CG1 4.34Å; V162-I180 HydrophobicContact CG2-CG2 4.38Å; I180-A188 CarbonylContact O-C 3.56Å; I180-A188 VanDerWaalsContact O-CA 3.28Å; I180-A188 WeakPolarHBondContact O-CA 3.45Å; I180-H189 PolarHBondContact N-O 2.97Å; I180-H189 PolarHBondContact O-N 2.9Å; I180-V191 HydrophobicContact CD1-CB 4.41Å; I180-V191 HydrophobicContact CD1-CG2 3.47Å; I180-V191 VanDerWaalsContact CD1-CG2 3.47Å; I180-V191 HydrophobicContact CG1-CG2 4.07Å
181	T	98.1	Very high	95	Very high	32 Å²	32	63 Å²	63	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.5	179.6	-56	0	0	0	0	110	L160 S161 I183 E187	L160-T181 CarbonylContact C-O 3.54Å; L160-T181 WeakPolarHBondContact CA-O 3.34Å; S161-T181 PolarHBondContact N-O 2.85Å; S161-T181 PolarHBondContact O-N 3.12Å; S161-T181 PolarHBondContact OG-O 3.14Å; T181-I183 PolarHBondContact O-N 3.07Å; T181-E187 WeakPolarHBondContact CA-O 3.46Å
182	N	97.3	Very high	95.8	Very high	25 Å²	25	55 Å²	55	13%	0.134	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	116.5	167.8	-177.9	-47.3	0	0	0	109.3	W119 L160 K184 T185 N186 E187	W119-N182 HydrophobicContact CH2-CB 3.64Å; W119-N182 HydrophobicContact CZ2-CB 3.51Å; W119-N182 HydrophobicContact CZ3-CB 4.38Å; L160-N182 HydrophobicContact CD2-CB 4.23Å; N182-K184 PolarHBondContact O-N 2.96Å; N182-K184 WeakPolarHBondContact OD1-CA 3.23Å; N182-K184 WeakPolarHBondContact OD1-CB 3.24Å; N182-K184 PolarHBondContact OD1-N 3.4Å; N182-T185 WeakPolarHBondContact CB-OG1 3.3Å; N182-T185 VanDerWaalsContact CG-OG1 3.29Å; N182-T185 PolarHBondContact O-N 2.84Å; N182-T185 PolarHBondContact OD1-N 3.34Å; N182-T185 PolarHBondContact OD1-OG1 3.23Å; N182-N186 VanDerWaalsContact O-CA 3.24Å; N182-N186 WeakPolarHBondContact O-CA 3.31Å; N182-N186 PolarHBondContact O-N 2.93Å; N182-E187 PolarHBondContact N-O 3.33Å
183	I	95.5	Very high	96.5	Very high	80 Å²	80	52.7 Å²	52.7	41%	0.41	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.1	-172.6	-61.4	171.6	0	0	0	111.4	D159 L160 T181	D159-I183 WeakPolarHBondContact O-CB 3.21Å; D159-I183 WeakPolarHBondContact O-CG1 3.4Å; D159-I183 PolarHBondContact O-N 3.32Å; L160-I183 WeakPolarHBondContact O-CD1 3.29Å; T181-I183 PolarHBondContact O-N 3.07Å
184	K	93.8	Very high	96.8	Very high	144 Å²	144	51.9 Å²	51.9	63%	0.626	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-43.5	-179.9	-70.5	173.8	169.1	164.5	0	112.4	D159 N182	D159-K184 HydrophobicContact CB-CD 4.07Å; D159-K184 HydrophobicContact CB-CG 4.19Å; D159-K184 VanDerWaalsContact CG-NZ 3.31Å; D159-K184 WeakPolarHBondContact OD1-CE 3.48Å; D159-K184 IonicContact OD1-NZ 2.63Å; D159-K184 PolarHBondContact OD1-NZ 3.19Å; D159-K184 WeakPolarHBondContact OD2-CE 3.45Å; D159-K184 IonicContact OD2-NZ 3.42Å; D159-K184 PolarHBondContact OD2-NZ 3.46Å; N182-K184 PolarHBondContact O-N 2.96Å; N182-K184 WeakPolarHBondContact OD1-CA 3.23Å; N182-K184 WeakPolarHBondContact OD1-CB 3.24Å; N182-K184 PolarHBondContact OD1-N 3.4Å
185	T	95.5	Very high	96.9	Very high	73 Å²	73	50.7 Å²	50.7	45%	0.448	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-16.9	-174.6	66.1	0	0	0	0	113.6	N182 E187	N182-T185 WeakPolarHBondContact CB-OG1 3.3Å; N182-T185 VanDerWaalsContact CG-OG1 3.29Å; N182-T185 PolarHBondContact O-N 2.84Å; N182-T185 PolarHBondContact OD1-N 3.34Å; N182-T185 PolarHBondContact OD1-OG1 3.23Å; T185-E187 PolarHBondContact O-N 3.09Å; T185-E187 WeakPolarHBondContact OG1-CB 3.48Å; T185-E187 WeakPolarHBondContact OG1-CG 3.48Å; T185-E187 PolarHBondContact OG1-N 2.95Å; T185-E187 PolarHBondContact OG1-OE2 3.24Å; T185-E187 VanDerWaalsContact OG1-OE2 3.07Å
186	N	95.5	Very high	96.9	Very high	127 Å²	127	49.8 Å²	49.8	68%	0.679	25%	0.254	S	S	*	.			trans	58.7	14.8	-168	-60.5	-57	0	0	0	114.4	N182	N182-N186 VanDerWaalsContact O-CA 3.24Å; N182-N186 WeakPolarHBondContact O-CA 3.31Å; N182-N186 PolarHBondContact O-N 2.93Å
187	E	97.8	Very high	96.5	Very high	119 Å²	119	50.8 Å²	50.8	56%	0.556	26%	0.261	S	S	*	.			trans	-68.6	139	170.1	-68.2	170.7	150.3	0	0	109.3	W119 T181 N182 T185	W119-E187 HydrophobicContact CH2-CB 3.88Å; W119-E187 VanDerWaalsContact CH2-O 3.31Å; W119-E187 WeakPolarHBondContact CH2-O 3.31Å; W119-E187 HydrophobicContact CZ2-CB 4.3Å; T181-E187 WeakPolarHBondContact CA-O 3.46Å; N182-E187 PolarHBondContact N-O 3.33Å; T185-E187 PolarHBondContact O-N 3.09Å; T185-E187 WeakPolarHBondContact OG1-CB 3.48Å; T185-E187 WeakPolarHBondContact OG1-CG 3.48Å; T185-E187 PolarHBondContact OG1-N 2.95Å; T185-E187 PolarHBondContact OG1-OE2 3.24Å; T185-E187 VanDerWaalsContact OG1-OE2 3.07Å
188	A	97.5	Very high	95.8	Very high	61 Å²	61	49.7 Å²	49.7	50%	0.504	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.7	-178.7	0	0	0	0	0	110.8	I179 I180	I179-A188 HydrophobicContact CG2-CB 4.08Å; I180-A188 CarbonylContact O-C 3.56Å; I180-A188 VanDerWaalsContact O-CA 3.28Å; I180-A188 WeakPolarHBondContact O-CA 3.45Å
189	H	97.2	Very high	95.2	Very high	45 Å²	45	49.9 Å²	49.9	21%	0.208	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.8	176.7	-178.4	51.9	0	0	0	109.7	W119 C123 I180 V191	W119-H189 HydrophobicContact CE3-CB 4.2Å; W119-H189 HydrophobicContact CZ3-CB 3.88Å; C123-H189 PolarHBondContact O-NE2 2.63Å; I180-H189 PolarHBondContact N-O 2.97Å; I180-H189 PolarHBondContact O-N 2.9Å; H189-V191 VanDerWaalsContact CD2-CG2 3.47Å; H189-V191 WeakPolarHBondContact CD2-CG2 3.28Å
190	H	97.5	Very high	94.2	Very high	125 Å²	125	50.6 Å²	50.6	58%	0.579	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.9	179	-70.7	-82.6	0	0	0	110.4	F178	F178-H190 WeakPolarHBondContact O-CA 3.42Å
191	V	98.4	Very high	92.8	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.9	179.7	-178.7	0	0	0	0	110.5	V118 I126 F178 I180 H189	V118-V191 HydrophobicContact CG1-CG1 4.37Å; V118-V191 HydrophobicContact CG1-CG2 3.9Å; I126-V191 HydrophobicContact CD1-CG1 3.82Å; I126-V191 HydrophobicContact CG1-CG1 3.89Å; F178-V191 PolarHBondContact N-O 3.34Å; F178-V191 PolarHBondContact O-N 3.41Å; I180-V191 HydrophobicContact CD1-CB 4.41Å; I180-V191 HydrophobicContact CD1-CG2 3.47Å; I180-V191 VanDerWaalsContact CD1-CG2 3.47Å; I180-V191 HydrophobicContact CG1-CG2 4.07Å; H189-V191 VanDerWaalsContact CD2-CG2 3.47Å; H189-V191 WeakPolarHBondContact CD2-CG2 3.28Å
192	L	98.2	Very high	91.2	Very high	32 Å²	32	54.9 Å²	54.9	17%	0.168	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.2	171.7	-178.9	67.2	0	0	0	109.7	P124 A125 I126 K177 M194 S221	P124-L192 PolarHBondContact O-N 3.14Å; A125-L192 CarbonylContact C-O 3.57Å; A125-L192 WeakPolarHBondContact CA-O 3.2Å; A125-L192 HydrophobicContact CB-CB 4.05Å; A125-L192 WeakPolarHBondContact CB-O 3.37Å; I126-L192 PolarHBondContact N-O 3.07Å; K177-L192 HydrophobicContact CG-CD1 4.41Å; L192-M194 HydrophobicContact CD1-CG 4.37Å; L192-M194 HydrophobicContact CD2-CG 3.99Å; L192-M194 HydrophobicContact CD2-SD 3.64Å; L192-M194 HydrophobicContact CG-CG 3.86Å; L192-M194 HydrophobicContact CG-SD 4.2Å; L192-S221 VanDerWaalsContact CD2-CB 3.42Å; L192-S221 WeakPolarHBondContact CD2-OG 3.31Å
193	H	98.1	Very high	90.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.6	172	176.7	-91.9	0	0	0	109.5	I126 Y143 S175 R176 F178	I126-H193 CarbonylContact O-C 3.51Å; I126-H193 WeakPolarHBondContact O-CA 3.39Å; Y143-H193 AromaticContact CZ-NE2 3.78Å; Y143-H193 PolarHBondContact OH-CD2 3.48Å; Y143-H193 VanDerWaalsContact OH-CD2 3.24Å; Y143-H193 PolarHBondContact OH-NE2 2.83Å; S175-H193 CarbonylContact C-O 3.54Å; S175-H193 WeakPolarHBondContact CA-O 3.48Å; R176-H193 HydrophobicContact CB-CB 4.13Å; R176-H193 PolarHBondContact N-O 2.99Å; R176-H193 PolarHBondContact NH1-CE1 3.43Å; R176-H193 VanDerWaalsContact NH1-CE1 3.29Å; R176-H193 PolarHBondContact NH1-ND1 3.22Å; R176-H193 PolarHBondContact O-N 3.19Å; F178-H193 HydrophobicContact CD2-CB 3.68Å; F178-H193 HydrophobicContact CE2-CB 3.31Å; F178-H193 AromaticContact CE2-CD2 4Å; F178-H193 AromaticContact CE2-CG 3.59Å; F178-H193 HydrophobicContact CZ-CB 4.34Å
194	M	97.7	Very high	89.7	Confident	6 Å²	6	53.4 Å²	53.4	3%	0.03	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	110	-179	-60.5	-175.1	70.7	0	0	108.8	I126 I127 M128 F173 I174 L192 F214 V218	I126-M194 PolarHBondContact O-N 2.88Å; I127-M194 WeakPolarHBondContact CA-O 3.49Å; I127-M194 HydrophobicContact CD1-CB 3.94Å; I127-M194 HydrophobicContact CD1-CG 4.34Å; I127-M194 HydrophobicContact CD1-SD 4.34Å; M128-M194 PolarHBondContact N-O 3.22Å; F173-M194 HydrophobicContact CD2-CE 4.1Å; F173-M194 HydrophobicContact CE2-CE 3.65Å; F173-M194 HydrophobicContact CZ-CE 4.17Å; I174-M194 CarbonylContact O-C 3.58Å; I174-M194 WeakPolarHBondContact O-CA 3.44Å; L192-M194 HydrophobicContact CD1-CG 4.37Å; L192-M194 HydrophobicContact CD2-CG 3.99Å; L192-M194 HydrophobicContact CD2-SD 3.64Å; L192-M194 HydrophobicContact CG-CG 3.86Å; L192-M194 HydrophobicContact CG-SD 4.2Å; M194-F214 HydrophobicContact CB-CE2 3.86Å; M194-F214 HydrophobicContact CB-CZ 3.9Å; M194-F214 HydrophobicContact CE-CD2 4.45Å; M194-F214 HydrophobicContact CE-CE2 4.08Å; M194-V218 HydrophobicContact CE-CG2 3.84Å; M194-V218 HydrophobicContact SD-CB 4.32Å; M194-V218 HydrophobicContact SD-CG2 3.66Å
195	Q	96.4	Very high	89.2	Confident	3 Å²	3	46.5 Å²	46.5	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.2	-177.1	-179.4	177.6	13.2	0	0	110.8	M128 N130 F173 I174 T197	M128-Q195 HydrophobicContact CB-CB 4.15Å; M128-Q195 HydrophobicContact CB-CG 4.16Å; M128-Q195 HydrophobicContact CG-CB 4.47Å; M128-Q195 HydrophobicContact CG-CG 3.96Å; M128-Q195 CarbonylContact O-C 3.52Å; M128-Q195 VanDerWaalsContact O-CA 3.27Å; M128-Q195 WeakPolarHBondContact O-CA 3.34Å; M128-Q195 HydrophobicContact SD-CB 4.44Å; M128-Q195 HydrophobicContact SD-CG 3.9Å; N130-Q195 PolarHBondContact O-NE2 3.44Å; F173-Q195 CarbonylContact C-O 3.52Å; F173-Q195 WeakPolarHBondContact CA-O 3.36Å; F173-Q195 WeakPolarHBondContact CB-O 3.5Å; I174-Q195 HydrophobicContact CB-CB 4.34Å; I174-Q195 PolarHBondContact N-O 2.92Å; I174-Q195 PolarHBondContact O-N 2.96Å; Q195-T197 HydrophobicContact CG-CG2 4.31Å; Q195-T197 PolarHBondContact O-N 2.83Å
196	Y	94.7	Very high	88.2	Confident	6 Å²	6	46.9 Å²	46.9	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118.6	169.6	-165.2	-89.4	0	0	0	109.3	M128 N198 W199 A210 I211 F214	M128-Y196 PolarHBondContact O-N 3.04Å; Y196-N198 HydrophobicContact CE1-CB 4.43Å; Y196-W199 HydrophobicContact CD1-CB 3.74Å; Y196-W199 HydrophobicContact CD1-CE3 4.34Å; Y196-W199 HydrophobicContact CE1-CB 3.91Å; Y196-A210 WeakPolarHBondContact OH-CB 3.43Å; Y196-I211 HydrophobicContact CD2-CD1 4.12Å; Y196-I211 HydrophobicContact CE2-CD1 4.01Å; Y196-I211 HydrophobicContact CG-CD1 4.46Å; Y196-F214 HydrophobicContact CD2-CB 3.75Å; Y196-F214 AromaticContact CD2-CD1 3.76Å; Y196-F214 HydrophobicContact CD2-CD1 3.76Å; Y196-F214 AromaticContact CD2-CD2 3.95Å; Y196-F214 HydrophobicContact CD2-CD2 3.95Å; Y196-F214 HydrophobicContact CD2-CE1 4.33Å; Y196-F214 HydrophobicContact CD2-CE2 4.47Å; Y196-F214 AromaticContact CD2-CG 3.55Å; Y196-F214 HydrophobicContact CD2-CG 3.55Å; Y196-F214 HydrophobicContact CE2-CB 3.88Å; Y196-F214 HydrophobicContact CE2-CG 4.2Å; Y196-F214 HydrophobicContact CG-CD1 4.41Å
197	T	87.2	Confident	87.7	Confident	30 Å²	30	41.4 Å²	41.4	18%	0.184	23%	0.225	C	C	.	.			trans	-93.4	-20.8	-167	52.9	0	0	0	0	114.1	T172 I174 Q195	T172-T197 PolarHBondContact O-N 2.65Å; T172-T197 PolarHBondContact O-OG1 2.95Å; I174-T197 HydrophobicContact CD1-CG2 3.8Å; I174-T197 HydrophobicContact CG1-CG2 3.85Å; Q195-T197 HydrophobicContact CG-CG2 4.31Å; Q195-T197 PolarHBondContact O-N 2.83Å
198	N	82.4	Confident	87.4	Confident	92 Å²	92	35.9 Å²	35.9	49%	0.492	20%	0.199	S	C	.	.			trans	-113.8	45.5	-167.2	-61.1	8.6	0	0	0	112.2	Y196	Y196-N198 HydrophobicContact CE1-CB 4.43Å
199	W	84.8	Confident	87.2	Confident	5 Å²	5	33 Å²	33	2%	0.019	18%	0.176	C	C	.	.			trans	-120.9	105.6	175.1	-164.9	-19.7	0	0	0	110.8	L129 Y196 G203 P205 I211 R241 T244	L129-W199 HydrophobicContact CB-CE3 4.43Å; L129-W199 HydrophobicContact CD1-CZ3 4.27Å; L129-W199 HydrophobicContact CD2-CE3 4.33Å; L129-W199 HydrophobicContact CD2-CZ3 4.29Å; Y196-W199 HydrophobicContact CD1-CB 3.74Å; Y196-W199 HydrophobicContact CD1-CE3 4.34Å; Y196-W199 HydrophobicContact CE1-CB 3.91Å; W199-G203 PolarHBondContact NE1-O 2.91Å; W199-P205 HydrophobicContact CD2-CG 3.63Å; W199-P205 HydrophobicContact CE3-CG 3.9Å; W199-P205 HydrophobicContact CG-CG 4.14Å; W199-P205 HydrophobicContact CH2-CG 4.05Å; W199-P205 HydrophobicContact CZ2-CG 3.79Å; W199-P205 HydrophobicContact CZ3-CG 4.11Å; W199-I211 HydrophobicContact CE3-CD1 3.96Å; W199-I211 HydrophobicContact CZ3-CD1 3.59Å; W199-I211 HydrophobicContact CZ3-CG1 4.13Å; W199-R241 HydrophobicContact CD2-CB 4.1Å; W199-R241 HydrophobicContact CD2-CG 3.89Å; W199-R241 HydrophobicContact CE3-CB 4.3Å; W199-R241 HydrophobicContact CG-CG 4.1Å; W199-R241 HydrophobicContact CH2-CB 4.22Å; W199-R241 WeakPolarHBondContact CH2-O 3.32Å; W199-R241 HydrophobicContact CZ2-CB 4Å; W199-R241 HydrophobicContact CZ2-CG 4.06Å; W199-R241 HydrophobicContact CZ3-CB 4.36Å; W199-R241 PolarHBondContact O-NH1 3.37Å; W199-T244 HydrophobicContact CH2-CG2 3.69Å; W199-T244 HydrophobicContact CZ2-CG2 3.76Å
200	P	76.5	Confident	87	Confident	55 Å²	55	31.7 Å²	31.7	36%	0.357	17%	0.172	S	C	.	.			trans	-63.5	147.2	179.1	25.6	-33.3	0	0	0	112.3	G203 I204	P200-G203 PolarHBondContact O-N 3.5Å; P200-I204 WeakPolarHBondContact CD-O 3.32Å
201	D	69.1	Low	86.9	Confident	22 Å²	22	25.9 Å²	25.9	12%	0.118	15%	0.146	C	C	.	.	S	Bend	trans	-65.4	139.4	175.2	-152.4	20.4	0	0	0	110.6	E134 R139 G203 R241	E134-D201 WeakPolarHBondContact OE2-CB 3.37Å; R139-D201 IonicContact CZ-OD2 2.78Å; R139-D201 IonicContact NE-OD2 3.23Å; R139-D201 IonicContact NH1-OD2 3.11Å; R139-D201 PolarHBondContact NH1-OD2 3.33Å; R139-D201 IonicContact NH2-OD2 3Å; D201-G203 PolarHBondContact O-N 2.99Å; D201-R241 VanDerWaalsContact CG-NH2 3.26Å; D201-R241 IonicContact OD1-CZ 2.92Å; D201-R241 IonicContact OD1-NE 3.87Å; D201-R241 PolarHBondContact OD1-NE 3.02Å; D201-R241 IonicContact OD1-NH2 2.97Å; D201-R241 PolarHBondContact OD1-NH2 3.32Å; D201-R241 IonicContact OD2-NH2 3.18Å
202	F	63.7	Low	86.8	Confident	99 Å²	99	25.8 Å²	25.8	43%	0.434	15%	0.145	S	C	.	.	S	Bend	trans	59	-17.2	-171.3	-61.1	-84.3	0	0	0	117.1	Q282 T283	F202-Q282 HydrophobicContact CD1-CB 4.48Å; F202-T283 HydrophobicContact CB-CG2 4.48Å; F202-T283 HydrophobicContact CD1-CG2 4.38Å
203	G	79.1	Confident	86.6	Confident	25 Å²	25	26.1 Å²	26.1	26%	0.258	15%	0.147	S	C	.	.	S	Bend	trans	-79.8	-165.2	173	0	0	0	0	0	113.6	W199 P200 D201 Q286	W199-G203 PolarHBondContact NE1-O 2.91Å; P200-G203 PolarHBondContact O-N 3.5Å; D201-G203 PolarHBondContact O-N 2.99Å; G203-Q286 PolarHBondContact O-NE2 3.22Å
204	I	83.8	Confident	86.5	Confident	49 Å²	49	26.1 Å²	26.1	25%	0.251	15%	0.147	S	C	.	.			trans	-119.4	158.5	178	57	168	0	0	0	109.1	P200 D285 Q286 F289	P200-I204 WeakPolarHBondContact CD-O 3.32Å; I204-D285 HydrophobicContact CG2-CB 4.3Å; I204-Q286 HydrophobicContact CG2-CG 4.25Å; I204-F289 HydrophobicContact CB-CB 4.23Å; I204-F289 HydrophobicContact CB-CD2 3.77Å; I204-F289 HydrophobicContact CB-CE2 4.32Å; I204-F289 HydrophobicContact CB-CG 3.99Å; I204-F289 HydrophobicContact CD1-CD2 3.81Å; I204-F289 HydrophobicContact CD1-CE2 4.48Å; I204-F289 HydrophobicContact CG1-CD2 4.31Å; I204-F289 HydrophobicContact CG2-CB 3.67Å; I204-F289 HydrophobicContact CG2-CD2 4.18Å; I204-F289 HydrophobicContact CG2-CG 3.97Å
205	P	81.6	Confident	86.5	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.			trans	-57.8	140.9	165.6	-17.5	31.1	0	0	0	109.7	W199 S207 I211 F289	W199-P205 HydrophobicContact CD2-CG 3.63Å; W199-P205 HydrophobicContact CE3-CG 3.9Å; W199-P205 HydrophobicContact CG-CG 4.14Å; W199-P205 HydrophobicContact CH2-CG 4.05Å; W199-P205 HydrophobicContact CZ2-CG 3.79Å; W199-P205 HydrophobicContact CZ3-CG 4.11Å; P205-S207 PolarHBondContact O-N 3.3Å; P205-S207 VanDerWaalsContact O-N 3.14Å; P205-I211 HydrophobicContact CB-CB 4.32Å; P205-I211 HydrophobicContact CG-CB 4.12Å; P205-I211 HydrophobicContact CG-CG1 4.33Å; P205-I211 HydrophobicContact CG-CG2 4.39Å; P205-F289 HydrophobicContact CB-CE1 4.45Å; P205-F289 HydrophobicContact CB-CE2 4.32Å; P205-F289 HydrophobicContact CB-CZ 3.8Å; P205-F289 VanDerWaalsContact CD-CE1 3.5Å; P205-F289 VanDerWaalsContact CD-CZ 3.42Å; P205-F289 HydrophobicContact CG-CE1 3.68Å; P205-F289 HydrophobicContact CG-CE2 4.3Å; P205-F289 HydrophobicContact CG-CZ 3.53Å; P205-F289 WeakPolarHBondContact O-CE2 3.49Å
206	N	75.8	Confident	86.5	Confident	81 Å²	81	26.5 Å²	26.5	43%	0.433	15%	0.148	S	C	.	.	S	Bend	trans	-60.3	-26.4	178.6	-63.8	10.5	0	0	0	112.1	N323	N206-N323 HydrophobicContact CB-CB 4.4Å; N206-N323 PolarHBondContact ND2-O 3.24Å; N206-N323 VanDerWaalsContact ND2-O 3.12Å
207	S	84.6	Confident	86.5	Confident	12 Å²	12	28.4 Å²	28.4	8%	0.084	16%	0.162	C	C	.	.			trans	-136.3	115.6	-173.1	160.1	0	0	0	0	110.8	P205 S209 A210 I211 E320	P205-S207 PolarHBondContact O-N 3.3Å; P205-S207 VanDerWaalsContact O-N 3.14Å; S207-S209 PolarHBondContact O-N 2.95Å; S207-S209 PolarHBondContact OG-N 3.01Å; S207-A210 PolarHBondContact O-N 3.43Å; S207-A210 WeakPolarHBondContact OG-CB 3.46Å; S207-A210 PolarHBondContact OG-N 2.98Å; S207-I211 PolarHBondContact O-N 3.37Å; S207-E320 WeakPolarHBondContact CA-OE2 3.48Å; S207-E320 VanDerWaalsContact CB-OE2 3.23Å; S207-E320 WeakPolarHBondContact CB-OE2 3.24Å; S207-E320 PolarHBondContact OG-OE2 2.82Å
208	P	92.4	Very high	87	Confident	2 Å²	2	27 Å²	27	1%	0.013	15%	0.153	C	C	.	.	H	α-helix	trans	-48.6	-41.7	163.1	-31.2	36.5	0	0	0	113.1	A210 I211 L212 F289 T293 K296 E320	P208-A210 PolarHBondContact O-N 3.47Å; P208-I211 WeakPolarHBondContact O-CG2 3.4Å; P208-I211 PolarHBondContact O-N 3.03Å; P208-L212 WeakPolarHBondContact O-CB 3.3Å; P208-L212 WeakPolarHBondContact O-CD1 3.32Å; P208-L212 WeakPolarHBondContact O-CG 3.19Å; P208-L212 PolarHBondContact O-N 2.93Å; P208-F289 HydrophobicContact CG-CE2 3.79Å; P208-F289 HydrophobicContact CG-CZ 4.23Å; P208-T293 HydrophobicContact CB-CG2 4.33Å; P208-K296 HydrophobicContact CB-CD 3.88Å; P208-E320 WeakPolarHBondContact CD-OE1 3.28Å
209	S	93.3	Very high	87.7	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-62	-40.4	177	-74.2	0	0	0	0	113.2	S207 L212 N213 K296 F314 E315 E320	S207-S209 PolarHBondContact O-N 2.95Å; S207-S209 PolarHBondContact OG-N 3.01Å; S209-L212 PolarHBondContact O-N 3.27Å; S209-N213 WeakPolarHBondContact O-CB 3.45Å; S209-N213 VanDerWaalsContact O-CG 3.24Å; S209-N213 PolarHBondContact O-N 3.47Å; S209-N213 PolarHBondContact O-ND2 3.27Å; S209-K296 WeakPolarHBondContact OG-CE 3.25Å; S209-F314 WeakPolarHBondContact CB-O 3.22Å; S209-E315 PolarHBondContact OG-O 3.45Å; S209-E320 VanDerWaalsContact CB-OE2 3.28Å; S209-E320 WeakPolarHBondContact CB-OE2 3.48Å; S209-E320 PolarHBondContact N-OE2 3.11Å; S209-E320 VanDerWaalsContact N-OE2 3.13Å; S209-E320 PolarHBondContact OG-OE2 2.6Å
210	A	92.2	Very high	88.2	Confident	16 Å²	16	27.9 Å²	27.9	13%	0.132	17%	0.168	C	C	.	.	H	α-helix	trans	-64.3	-43.2	179.9	0	0	0	0	0	112.1	T172 Y196 S207 P208 F214	T172-A210 HydrophobicContact CG2-CB 4.41Å; Y196-A210 WeakPolarHBondContact OH-CB 3.43Å; S207-A210 PolarHBondContact O-N 3.43Å; S207-A210 WeakPolarHBondContact OG-CB 3.46Å; S207-A210 PolarHBondContact OG-N 2.98Å; P208-A210 PolarHBondContact O-N 3.47Å; A210-F214 WeakPolarHBondContact O-CB 3.24Å; A210-F214 PolarHBondContact O-N 3.08Å
211	I	94.4	Very high	89.1	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-71.5	-34.7	177.8	-167.2	62.6	0	0	0	112	Y196 W199 P205 S207 P208 F214 L215 F245 F289 T293	Y196-I211 HydrophobicContact CD2-CD1 4.12Å; Y196-I211 HydrophobicContact CE2-CD1 4.01Å; Y196-I211 HydrophobicContact CG-CD1 4.46Å; W199-I211 HydrophobicContact CE3-CD1 3.96Å; W199-I211 HydrophobicContact CZ3-CD1 3.59Å; W199-I211 HydrophobicContact CZ3-CG1 4.13Å; P205-I211 HydrophobicContact CB-CB 4.32Å; P205-I211 HydrophobicContact CG-CB 4.12Å; P205-I211 HydrophobicContact CG-CG1 4.33Å; P205-I211 HydrophobicContact CG-CG2 4.39Å; S207-I211 PolarHBondContact O-N 3.37Å; P208-I211 WeakPolarHBondContact O-CG2 3.4Å; P208-I211 PolarHBondContact O-N 3.03Å; I211-F214 HydrophobicContact CD1-CD1 4.04Å; I211-F214 PolarHBondContact O-N 2.98Å; I211-L215 WeakPolarHBondContact O-CB 3.35Å; I211-L215 PolarHBondContact O-N 3.26Å; I211-F245 HydrophobicContact CD1-CD2 4.09Å; I211-F245 HydrophobicContact CG1-CD2 4.49Å; I211-F289 HydrophobicContact CG2-CE1 3.9Å; I211-F289 HydrophobicContact CG2-CZ 3.76Å; I211-T293 HydrophobicContact CG2-CG2 4.09Å
212	L	96.4	Very high	90.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-49	173.4	-71.5	166.8	0	0	0	110.8	P208 S209 F214 L215 W216 I248 L252 T293 A297 F314	P208-L212 WeakPolarHBondContact O-CB 3.3Å; P208-L212 WeakPolarHBondContact O-CD1 3.32Å; P208-L212 WeakPolarHBondContact O-CG 3.19Å; P208-L212 PolarHBondContact O-N 2.93Å; S209-L212 PolarHBondContact O-N 3.27Å; L212-F214 PolarHBondContact O-N 3.35Å; L212-L215 WeakPolarHBondContact O-CB 3.48Å; L212-L215 PolarHBondContact O-N 2.9Å; L212-W216 HydrophobicContact CB-CZ3 4.4Å; L212-W216 HydrophobicContact CD2-CZ3 3.79Å; L212-W216 VanDerWaalsContact O-CE3 3.23Å; L212-W216 PolarHBondContact O-N 3.04Å; L212-I248 HydrophobicContact CD2-CG2 4.3Å; L212-L252 HydrophobicContact CD2-CD1 3.96Å; L212-T293 HydrophobicContact CD1-CG2 3.94Å; L212-T293 HydrophobicContact CD2-CG2 3.71Å; L212-T293 HydrophobicContact CG-CG2 3.64Å; L212-A297 HydrophobicContact CD1-CB 3.88Å; L212-A297 HydrophobicContact CD2-CB 3.68Å; L212-A297 HydrophobicContact CG-CB 4.46Å; L212-F314 HydrophobicContact CB-CB 4.25Å; L212-F314 HydrophobicContact CB-CD1 4.37Å; L212-F314 HydrophobicContact CB-CD2 3.42Å; L212-F314 VanDerWaalsContact CB-CD2 3.42Å; L212-F314 HydrophobicContact CB-CE2 3.81Å; L212-F314 HydrophobicContact CB-CG 3.73Å; L212-F314 HydrophobicContact CB-CZ 4.43Å; L212-F314 HydrophobicContact CD1-CB 4.39Å; L212-F314 HydrophobicContact CD1-CD1 3.75Å; L212-F314 HydrophobicContact CD1-CD2 4.33Å; L212-F314 HydrophobicContact CD1-CE1 4.1Å; L212-F314 HydrophobicContact CD1-CG 3.87Å; L212-F314 HydrophobicContact CG-CD2 4.42Å; L212-F314 HydrophobicContact CG-CG 4.43Å
213	N	94.7	Very high	91.9	Very high	39 Å²	39	23.7 Å²	23.7	21%	0.209	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-35.8	176.4	-71.9	-37.8	0	0	0	112.4	S209 S217 F314	S209-N213 WeakPolarHBondContact O-CB 3.45Å; S209-N213 VanDerWaalsContact O-CG 3.24Å; S209-N213 PolarHBondContact O-N 3.47Å; S209-N213 PolarHBondContact O-ND2 3.27Å; N213-S217 PolarHBondContact O-N 3.14Å; N213-S217 PolarHBondContact O-OG 2.93Å; N213-F314 PolarHBondContact ND2-O 2.97Å; N213-F314 PolarHBondContact OD1-N 2.83Å
214	F	95.7	Very high	92.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.5	-48.2	171.5	178.3	-112	0	0	0	112	I127 L129 F173 M194 Y196 A210 I211 L212 W216 S217 V218 F245	I127-F214 HydrophobicContact CG2-CE1 3.77Å; I127-F214 HydrophobicContact CG2-CZ 3.92Å; L129-F214 HydrophobicContact CD2-CE1 3.91Å; F173-F214 HydrophobicContact CB-CD2 3.64Å; F173-F214 HydrophobicContact CB-CE2 3.6Å; F173-F214 AromaticContact CD1-CD2 3.65Å; F173-F214 HydrophobicContact CD1-CD2 3.65Å; F173-F214 HydrophobicContact CD1-CE2 4.28Å; F173-F214 HydrophobicContact CD2-CD2 4.13Å; F173-F214 AromaticContact CD2-CE2 3.97Å; F173-F214 HydrophobicContact CD2-CE2 3.97Å; F173-F214 HydrophobicContact CE1-CD2 4.31Å; F173-F214 AromaticContact CG-CD2 3.54Å; F173-F214 HydrophobicContact CG-CD2 3.54Å; F173-F214 AromaticContact CG-CE2 3.71Å; F173-F214 HydrophobicContact CG-CE2 3.71Å; M194-F214 HydrophobicContact CB-CE2 3.86Å; M194-F214 HydrophobicContact CB-CZ 3.9Å; M194-F214 HydrophobicContact CE-CD2 4.45Å; M194-F214 HydrophobicContact CE-CE2 4.08Å; Y196-F214 HydrophobicContact CD2-CB 3.75Å; Y196-F214 AromaticContact CD2-CD1 3.76Å; Y196-F214 HydrophobicContact CD2-CD1 3.76Å; Y196-F214 AromaticContact CD2-CD2 3.95Å; Y196-F214 HydrophobicContact CD2-CD2 3.95Å; Y196-F214 HydrophobicContact CD2-CE1 4.33Å; Y196-F214 HydrophobicContact CD2-CE2 4.47Å; Y196-F214 AromaticContact CD2-CG 3.55Å; Y196-F214 HydrophobicContact CD2-CG 3.55Å; Y196-F214 HydrophobicContact CE2-CB 3.88Å; Y196-F214 HydrophobicContact CE2-CG 4.2Å; Y196-F214 HydrophobicContact CG-CD1 4.41Å; A210-F214 WeakPolarHBondContact O-CB 3.24Å; A210-F214 PolarHBondContact O-N 3.08Å; I211-F214 HydrophobicContact CD1-CD1 4.04Å; I211-F214 PolarHBondContact O-N 2.98Å; L212-F214 PolarHBondContact O-N 3.35Å; F214-W216 VanDerWaalsContact C-N 3.29Å; F214-W216 PolarHBondContact O-N 3.5Å; F214-S217 WeakPolarHBondContact O-CA 3.38Å; F214-S217 WeakPolarHBondContact O-CB 3.46Å; F214-S217 PolarHBondContact O-N 2.95Å; F214-V218 HydrophobicContact CD1-CG2 4.43Å; F214-V218 HydrophobicContact CE1-CG2 4.08Å; F214-V218 HydrophobicContact CE2-CG2 4.35Å; F214-V218 HydrophobicContact CZ-CG2 4.05Å; F214-V218 WeakPolarHBondContact O-CG2 3.33Å; F214-V218 PolarHBondContact O-N 2.9Å; F214-F245 HydrophobicContact CD1-CD2 4.44Å; F214-F245 AromaticContact CD1-CE2 3.72Å; F214-F245 HydrophobicContact CD1-CE2 3.72Å; F214-F245 HydrophobicContact CD1-CZ 4.45Å; F214-F245 AromaticContact CE1-CE2 3.85Å; F214-F245 HydrophobicContact CE1-CE2 3.85Å; F214-F245 HydrophobicContact CE1-CZ 4.29Å
215	L	97.1	Very high	93.2	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-58	-40.1	175.7	175.3	61.2	0	0	0	112	I211 L212 S217 V218 R219 L224 F245 I248 D249 L252	I211-L215 WeakPolarHBondContact O-CB 3.35Å; I211-L215 PolarHBondContact O-N 3.26Å; L212-L215 WeakPolarHBondContact O-CB 3.48Å; L212-L215 PolarHBondContact O-N 2.9Å; L215-S217 VanDerWaalsContact C-N 3.33Å; L215-S217 PolarHBondContact O-N 3.41Å; L215-V218 WeakPolarHBondContact O-CB 3.48Å; L215-V218 PolarHBondContact O-N 2.96Å; L215-R219 HydrophobicContact CD1-CG 4.35Å; L215-R219 WeakPolarHBondContact O-CG 3.32Å; L215-R219 PolarHBondContact O-N 3.4Å; L215-L224 HydrophobicContact CD1-CD1 4.43Å; L215-F245 HydrophobicContact CB-CE2 4.04Å; L215-F245 HydrophobicContact CB-CZ 4.42Å; L215-F245 HydrophobicContact CD1-CE1 4.18Å; L215-F245 HydrophobicContact CD1-CE2 3.95Å; L215-F245 HydrophobicContact CD1-CZ 3.56Å; L215-I248 HydrophobicContact CD2-CG2 4.12Å; L215-D249 HydrophobicContact CD1-CB 3.89Å; L215-D249 HydrophobicContact CD2-CB 4.11Å; L215-L252 HydrophobicContact CD2-CD1 3.7Å
216	W	96.1	Very high	93.9	Very high	15 Å²	15	29 Å²	29	6%	0.057	18%	0.182	C	C	.	.	H	α-helix	trans	-65	-37.8	175.1	-101.4	-104.5	0	0	0	112.4	L212 F214 V218 R219 A220 L252 L301 R309 V312 F314	L212-W216 HydrophobicContact CB-CZ3 4.4Å; L212-W216 HydrophobicContact CD2-CZ3 3.79Å; L212-W216 VanDerWaalsContact O-CE3 3.23Å; L212-W216 PolarHBondContact O-N 3.04Å; F214-W216 VanDerWaalsContact C-N 3.29Å; F214-W216 PolarHBondContact O-N 3.5Å; W216-V218 VanDerWaalsContact C-N 3.32Å; W216-V218 PolarHBondContact O-N 3.06Å; W216-R219 PolarHBondContact O-N 2.88Å; W216-A220 VanDerWaalsContact O-CB 3.23Å; W216-A220 WeakPolarHBondContact O-CB 3.39Å; W216-A220 PolarHBondContact O-N 3.47Å; W216-L252 HydrophobicContact CH2-CD1 3.77Å; W216-L252 HydrophobicContact CZ3-CD1 3.68Å; W216-L301 HydrophobicContact CH2-CD1 3.84Å; W216-L301 HydrophobicContact CH2-CD2 4.26Å; W216-L301 HydrophobicContact CH2-CG 4.43Å; W216-L301 HydrophobicContact CZ2-CD1 3.9Å; W216-L301 HydrophobicContact CZ2-CD2 3.61Å; W216-L301 HydrophobicContact CZ2-CG 4.25Å; W216-R309 PolarHBondContact NE1-O 3.29Å; W216-V312 HydrophobicContact CD2-CG1 4.02Å; W216-V312 HydrophobicContact CG-CG1 4.13Å; W216-V312 HydrophobicContact CZ2-CG1 3.83Å; W216-F314 AromaticContact CD2-CE2 3.58Å; W216-F314 HydrophobicContact CD2-CE2 3.58Å; W216-F314 HydrophobicContact CD2-CZ 4.23Å; W216-F314 AromaticContact CE2-CE2 3.82Å; W216-F314 HydrophobicContact CE3-CD2 4.38Å; W216-F314 AromaticContact CE3-CE2 3.41Å; W216-F314 HydrophobicContact CE3-CE2 3.41Å; W216-F314 VanDerWaalsContact CE3-CE2 3.41Å; W216-F314 HydrophobicContact CE3-CZ 4.02Å; W216-F314 HydrophobicContact CG-CE2 4.33Å; W216-F314 AromaticContact CH2-CE2 3.66Å; W216-F314 HydrophobicContact CH2-CE2 3.66Å; W216-F314 AromaticContact CH2-CZ 3.34Å; W216-F314 HydrophobicContact CH2-CZ 3.34Å; W216-F314 AromaticContact CZ2-CE2 3.89Å; W216-F314 HydrophobicContact CZ2-CE2 3.89Å; W216-F314 AromaticContact CZ2-CZ 3.65Å; W216-F314 HydrophobicContact CZ2-CZ 3.65Å; W216-F314 AromaticContact CZ3-CE2 3.42Å; W216-F314 HydrophobicContact CZ3-CE2 3.42Å; W216-F314 VanDerWaalsContact CZ3-CE2 3.42Å; W216-F314 AromaticContact CZ3-CZ 3.55Å; W216-F314 HydrophobicContact CZ3-CZ 3.55Å
217	S	95.4	Very high	94.9	Very high	45 Å²	45	27.2 Å²	27.2	32%	0.315	17%	0.174	S	C	.	.	H	α-helix	trans	-62.9	-39.7	173.2	-56.8	0	0	0	0	111.6	N213 F214 L215 S221	N213-S217 PolarHBondContact O-N 3.14Å; N213-S217 PolarHBondContact O-OG 2.93Å; F214-S217 WeakPolarHBondContact O-CA 3.38Å; F214-S217 WeakPolarHBondContact O-CB 3.46Å; F214-S217 PolarHBondContact O-N 2.95Å; L215-S217 VanDerWaalsContact C-N 3.33Å; L215-S217 PolarHBondContact O-N 3.41Å; S217-S221 PolarHBondContact O-N 3.4Å
218	V	97.3	Very high	95.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-44.8	174.6	177	0	0	0	0	111.4	I127 M194 F214 L215 W216 S221 L224 F245	I127-V218 HydrophobicContact CD1-CB 4.46Å; I127-V218 HydrophobicContact CD1-CG1 3.77Å; I127-V218 HydrophobicContact CD1-CG2 3.77Å; I127-V218 HydrophobicContact CG1-CG1 4.3Å; M194-V218 HydrophobicContact CE-CG2 3.84Å; M194-V218 HydrophobicContact SD-CB 4.32Å; M194-V218 HydrophobicContact SD-CG2 3.66Å; F214-V218 HydrophobicContact CD1-CG2 4.43Å; F214-V218 HydrophobicContact CE1-CG2 4.08Å; F214-V218 HydrophobicContact CE2-CG2 4.35Å; F214-V218 HydrophobicContact CZ-CG2 4.05Å; F214-V218 WeakPolarHBondContact O-CG2 3.33Å; F214-V218 PolarHBondContact O-N 2.9Å; L215-V218 WeakPolarHBondContact O-CB 3.48Å; L215-V218 PolarHBondContact O-N 2.96Å; W216-V218 VanDerWaalsContact C-N 3.32Å; W216-V218 PolarHBondContact O-N 3.06Å; V218-S221 PolarHBondContact O-N 3.09Å; V218-S221 PolarHBondContact O-OG 3.32Å; V218-L224 HydrophobicContact CG1-CD1 3.97Å; V218-L224 HydrophobicContact CG1-CD2 3.99Å; V218-L224 HydrophobicContact CG1-CG 3.94Å; V218-F245 HydrophobicContact CB-CZ 4.47Å; V218-F245 HydrophobicContact CG1-CZ 4.5Å; V218-F245 HydrophobicContact CG2-CZ 4.19Å
219	R	97.1	Very high	95.7	Very high	34 Å²	34	35.1 Å²	35.1	13%	0.128	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-45.2	176.2	-76.4	176.1	169.8	-150.5	-0.6	111.4	L215 W216 S221 G222 L224 D249 E256	L215-R219 HydrophobicContact CD1-CG 4.35Å; L215-R219 WeakPolarHBondContact O-CG 3.32Å; L215-R219 PolarHBondContact O-N 3.4Å; W216-R219 PolarHBondContact O-N 2.88Å; R219-S221 PolarHBondContact O-N 3.33Å; R219-G222 PolarHBondContact O-N 3.18Å; R219-L224 HydrophobicContact CG-CD1 3.85Å; R219-D249 IonicContact CZ-OD1 2.73Å; R219-D249 IonicContact NE-OD1 3.1Å; R219-D249 PolarHBondContact NE-OD1 2.92Å; R219-D249 PolarHBondContact NH2-O 3.29Å; R219-D249 VanDerWaalsContact NH2-O 3.1Å; R219-D249 IonicContact NH2-OD1 3.96Å; R219-D249 PolarHBondContact NH2-OD1 2.97Å; R219-E256 IonicContact CZ-OE2 3.37Å; R219-E256 IonicContact NH1-OE1 2.74Å; R219-E256 PolarHBondContact NH1-OE1 3.12Å; R219-E256 IonicContact NH1-OE2 3.23Å; R219-E256 PolarHBondContact NH1-OE2 3.1Å; R219-E256 IonicContact NH2-OE2 2.91Å
220	A	95.7	Very high	96	Very high	83 Å²	83	35.2 Å²	35.2	69%	0.686	22%	0.216	S	C	*	.	H	α-helix	trans	-64.1	-23.1	179.9	0	0	0	0	0	113.3	W216 G222	W216-A220 VanDerWaalsContact O-CB 3.23Å; W216-A220 WeakPolarHBondContact O-CB 3.39Å; W216-A220 PolarHBondContact O-N 3.47Å; A220-G222 PolarHBondContact O-N 3.09Å
221	S	95.5	Very high	96.3	Very high	53 Å²	53	34.6 Å²	34.6	37%	0.371	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.1	175.2	92	0	0	0	0	113.4	L192 S217 V218 R219 A223	L192-S221 VanDerWaalsContact CD2-CB 3.42Å; L192-S221 WeakPolarHBondContact CD2-OG 3.31Å; S217-S221 PolarHBondContact O-N 3.4Å; V218-S221 PolarHBondContact O-N 3.09Å; V218-S221 PolarHBondContact O-OG 3.32Å; R219-S221 PolarHBondContact O-N 3.33Å; S221-A223 PolarHBondContact O-N 2.91Å; S221-A223 VanDerWaalsContact OG-CB 3.28Å; S221-A223 WeakPolarHBondContact OG-CB 3.4Å; S221-A223 PolarHBondContact OG-N 3.28Å
222	G	95.9	Very high	96.5	Very high	29 Å²	29	34.4 Å²	34.4	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	2.4	-176.1	0	0	0	0	0	114.9	R219 A220 L224 N225	R219-G222 PolarHBondContact O-N 3.18Å; A220-G222 PolarHBondContact O-N 3.09Å; G222-L224 PolarHBondContact O-N 3.18Å; G222-L224 VanDerWaalsContact O-N 3.08Å; G222-N225 WeakPolarHBondContact CA-ND2 3.44Å; G222-N225 WeakPolarHBondContact O-CB 3.38Å; G222-N225 PolarHBondContact O-N 3.27Å
223	A	95.7	Very high	96.6	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.041	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.1	-176.2	0	0	0	0	0	114.3	P124 A125 S221	P124-A223 HydrophobicContact CB-CB 4.49Å; P124-A223 HydrophobicContact CG-CB 4.23Å; P124-A223 WeakPolarHBondContact CG-O 3.43Å; A125-A223 HydrophobicContact CB-CB 3.5Å; A125-A223 VanDerWaalsContact CB-CB 3.5Å; S221-A223 PolarHBondContact O-N 2.91Å; S221-A223 VanDerWaalsContact OG-CB 3.28Å; S221-A223 WeakPolarHBondContact OG-CB 3.4Å; S221-A223 PolarHBondContact OG-N 3.28Å
224	L	96.8	Very high	96.8	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	6.4	-178.7	-51.6	-172.5	0	0	0	113.5	R98 Y100 L215 V218 R219 G222 P231	R98-L224 WeakPolarHBondContact CD-O 3.45Å; R98-L224 PolarHBondContact NH1-O 3.48Å; Y100-L224 HydrophobicContact CE1-CD2 4.32Å; L215-L224 HydrophobicContact CD1-CD1 4.43Å; V218-L224 HydrophobicContact CG1-CD1 3.97Å; V218-L224 HydrophobicContact CG1-CD2 3.99Å; V218-L224 HydrophobicContact CG1-CG 3.94Å; R219-L224 HydrophobicContact CG-CD1 3.85Å; G222-L224 PolarHBondContact O-N 3.18Å; G222-L224 VanDerWaalsContact O-N 3.08Å; L224-P231 HydrophobicContact CD2-CB 4.32Å; L224-P231 HydrophobicContact CD2-CG 3.58Å
225	N	93.6	Very high	96.8	Very high	112 Å²	112	32.6 Å²	32.6	60%	0.599	20%	0.2	S	C	*	.	S	Bend	trans	-87.7	-31.4	-167.5	-69.1	-5.4	0	0	0	113.8	G222	G222-N225 WeakPolarHBondContact CA-ND2 3.44Å; G222-N225 WeakPolarHBondContact O-CB 3.38Å; G222-N225 PolarHBondContact O-N 3.27Å
226	D	96.3	Very high	96.8	Very high	70 Å²	70	32.6 Å²	32.6	37%	0.374	20%	0.2	S	C	.	.			trans	-111.3	108	-178.3	-169	-18.5	0	0	0	110.6	S228 Y229	D226-S228 PolarHBondContact O-N 2.72Å; D226-S228 VanDerWaalsContact O-N 3.15Å; D226-S228 WeakPolarHBondContact OD1-CA 3.38Å; D226-S228 WeakPolarHBondContact OD1-CB 3.42Å; D226-S228 PolarHBondContact OD1-N 2.87Å; D226-S228 PolarHBondContact OD1-OG 3.3Å; D226-Y229 HydrophobicContact CB-CD2 4.09Å; D226-Y229 CarbonylContact O-C 3.58Å; D226-Y229 PolarHBondContact O-N 3.19Å; D226-Y229 VanDerWaalsContact O-N 3.08Å; D226-Y229 VanDerWaalsContact OD2-CD2 3.23Å; D226-Y229 WeakPolarHBondContact OD2-CD2 3.5Å; D226-Y229 WeakPolarHBondContact OD2-CE2 3.49Å
227	P	96.4	Very high	96.9	Very high	42 Å²	42	32.8 Å²	32.8	27%	0.273	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.5	179	28.6	-35.2	0	0	0	113.4	K99 Y229	K99-P227 HydrophobicContact CB-CB 3.93Å; K99-P227 WeakPolarHBondContact CD-O 3.36Å; P227-Y229 VanDerWaalsContact C-N 3.25Å
228	S	97.2	Very high	97	Very high	84 Å²	84	30.6 Å²	30.6	59%	0.587	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-27.1	173.1	-43.1	0	0	0	0	111.9	D226 P230	D226-S228 PolarHBondContact O-N 2.72Å; D226-S228 VanDerWaalsContact O-N 3.15Å; D226-S228 WeakPolarHBondContact OD1-CA 3.38Å; D226-S228 WeakPolarHBondContact OD1-CB 3.42Å; D226-S228 PolarHBondContact OD1-N 2.87Å; D226-S228 PolarHBondContact OD1-OG 3.3Å; S228-P230 WeakPolarHBondContact O-CD 3.24Å
229	Y	97.7	Very high	97	Very high	97 Å²	97	30.8 Å²	30.8	38%	0.38	19%	0.191	S	C	.	.	S	Bend	trans	-122	73.4	-177.4	-54.5	-60.8	0	0	0	110.2	Q122 P124 D226 P227	Q122-Y229 HydrophobicContact CB-CD1 3.72Å; Q122-Y229 HydrophobicContact CB-CE1 3.92Å; P124-Y229 WeakPolarHBondContact CD-O 3.18Å; P124-Y229 WeakPolarHBondContact CG-O 3.49Å; D226-Y229 HydrophobicContact CB-CD2 4.09Å; D226-Y229 CarbonylContact O-C 3.58Å; D226-Y229 PolarHBondContact O-N 3.19Å; D226-Y229 VanDerWaalsContact O-N 3.08Å; D226-Y229 VanDerWaalsContact OD2-CD2 3.23Å; D226-Y229 WeakPolarHBondContact OD2-CD2 3.5Å; D226-Y229 WeakPolarHBondContact OD2-CE2 3.49Å; P227-Y229 VanDerWaalsContact C-N 3.25Å
230	P	98.3	Very high	97	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.026	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-66.8	135.4	-173.8	27.7	-35	0	0	0	111.2	F89 K99 I101 C123 S228	F89-P230 HydrophobicContact CD1-CG 4.39Å; F89-P230 HydrophobicContact CE1-CG 4.08Å; K99-P230 HydrophobicContact CB-CB 4.37Å; K99-P230 HydrophobicContact CG-CB 4.2Å; K99-P230 WeakPolarHBondContact O-CB 3.49Å; I101-P230 HydrophobicContact CD1-CG 3.78Å; I101-P230 HydrophobicContact CG1-CB 4.13Å; I101-P230 HydrophobicContact CG1-CG 3.82Å; C123-P230 WeakPolarHBondContact CB-O 3.23Å; C123-P230 PolarHBondContact SG-O 3.37Å; S228-P230 WeakPolarHBondContact O-CD 3.24Å
231	P	98.7	Very high	97.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.013	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-65.7	152.9	170	34.6	-41.8	0	0	0	110.5	K99 Y100 I101 A125 L224	K99-P231 WeakPolarHBondContact O-CD 3.33Å; Y100-P231 HydrophobicContact CD1-CG 4.03Å; I101-P231 PolarHBondContact N-O 2.91Å; A125-P231 HydrophobicContact CB-CB 4.43Å; A125-P231 WeakPolarHBondContact O-CA 3.29Å; L224-P231 HydrophobicContact CD2-CB 4.32Å; L224-P231 HydrophobicContact CD2-CG 3.58Å
232	V	98.9	Very high	97.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.5	170.1	-178.6	0	0	0	0	108.9	I101 T103 F114 M117 V118 C123 A125 I126 I127	I101-V232 HydrophobicContact CB-CG2 4.39Å; I101-V232 HydrophobicContact CG2-CG2 4.48Å; I101-V232 CarbonylContact O-C 3.39Å; I101-V232 WeakPolarHBondContact O-CA 3.41Å; T103-V232 HydrophobicContact CG2-CG1 3.58Å; F114-V232 HydrophobicContact CE2-CG1 3.78Å; F114-V232 HydrophobicContact CZ-CG1 4.05Å; M117-V232 HydrophobicContact CE-CG1 4.09Å; M117-V232 HydrophobicContact CE-CG2 3.98Å; V118-V232 HydrophobicContact CG2-CG2 3.94Å; C123-V232 HydrophobicContact CB-CG2 4.08Å; A125-V232 PolarHBondContact O-N 3.43Å; I126-V232 CarbonylContact C-O 3.56Å; I126-V232 VanDerWaalsContact CA-O 3.32Å; I126-V232 WeakPolarHBondContact CA-O 2.85Å; I126-V232 HydrophobicContact CG1-CB 4.25Å; I127-V232 PolarHBondContact N-O 2.98Å
233	I	98.8	Very high	97.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.6	176.4	-53.3	178.2	0	0	0	107.8	Y100 I101 L102 T103 I127 L129 F245 V246	Y100-I233 HydrophobicContact CD1-CD1 3.57Å; Y100-I233 HydrophobicContact CE1-CD1 4.23Å; Y100-I233 HydrophobicContact CG-CD1 4.1Å; I101-I233 PolarHBondContact O-N 3.04Å; L102-I233 WeakPolarHBondContact CA-O 3.29Å; L102-I233 HydrophobicContact CD1-CB 3.97Å; L102-I233 HydrophobicContact CD1-CD1 4.37Å; T103-I233 PolarHBondContact N-O 2.85Å; I127-I233 HydrophobicContact CB-CB 4.48Å; I127-I233 HydrophobicContact CB-CG1 4.1Å; I127-I233 HydrophobicContact CB-CG2 4.33Å; I127-I233 HydrophobicContact CG1-CG1 4.2Å; I127-I233 WeakPolarHBondContact O-CA 3.48Å; L129-I233 HydrophobicContact CD1-CG2 4.04Å; I233-F245 HydrophobicContact CD1-CD1 4.04Å; I233-F245 HydrophobicContact CD1-CE1 4.15Å; I233-F245 HydrophobicContact CG2-CD1 4.39Å; I233-V246 HydrophobicContact CD1-CG2 3.56Å
234	H	98.7	Very high	97.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	161.5	177.2	80.1	91.6	0	0	0	112.7	T103 I127 M128 L129 Y143 S242	T103-H234 HydrophobicContact CG2-CB 3.85Å; T103-H234 WeakPolarHBondContact O-CA 3.41Å; T103-H234 WeakPolarHBondContact O-CB 3.4Å; I127-H234 PolarHBondContact O-N 3.14Å; M128-H234 VanDerWaalsContact CG-CE1 3.49Å; M128-H234 WeakPolarHBondContact CG-CE1 3.25Å; L129-H234 PolarHBondContact N-O 3.38Å; Y143-H234 AromaticContact CE1-CE1 3.86Å; Y143-H234 AromaticContact CE1-NE2 3.65Å; Y143-H234 AromaticContact CZ-NE2 3.57Å; Y143-H234 PolarHBondContact OH-NE2 3.3Å; H234-S242 WeakPolarHBondContact CA-OG 3.27Å
235	C	96.5	Very high	97.6	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.02	12%	0.121	C	C	.	.	S	Bend	trans	-130.3	-132.7	163.6	52.7	0	0	0	0	106.7	G105 L129 N130 G238 R241 S242	G105-C235 VanDerWaalsContact CA-O 3.27Å; G105-C235 WeakPolarHBondContact CA-O 3.46Å; G105-C235 PolarHBondContact N-O 3.33Å; G105-C235 VanDerWaalsContact N-O 3.12Å; L129-C235 HydrophobicContact CB-CB 4.28Å; N130-C235 HydrophobicContact CB-CB 4.38Å; N130-C235 WeakPolarHBondContact OD1-CA 3.23Å; N130-C235 PolarHBondContact OD1-O 3.14Å; C235-G238 PolarHBondContact SG-N 2.9Å; C235-R241 HydrophobicContact CB-CB 3.98Å; C235-S242 PolarHBondContact N-OG 3.02Å; C235-S242 PolarHBondContact SG-OG 3.39Å
236	S	96.4	Very high	97.8	Very high	2 Å²	2	16 Å²	16	1%	0.014	9%	0.092	C	C	.	.	S	Bend	trans	-79.3	-57	168.9	-166.6	0	0	0	0	112.3	Y63 G105 R139	Y63-S236 PolarHBondContact OH-OG 2.95Å; G105-S236 PolarHBondContact N-O 3.05Å; R139-S236 PolarHBondContact O-OG 2.98Å
237	A	97.4	Very high	97.9	Very high	18 Å²	18	12.7 Å²	12.7	15%	0.149	8%	0.075	C	C	.	.	S	Bend	trans	-91.7	-17.6	179.5	0	0	0	0	0	113.8	Y63 V66 I239 R277	Y63-A237 HydrophobicContact CD2-CB 3.67Å; Y63-A237 HydrophobicContact CE2-CB 3.69Å; V66-A237 HydrophobicContact CG1-CB 4.46Å; V66-A237 HydrophobicContact CG2-CB 4.31Å; A237-I239 HydrophobicContact CB-CD1 4.15Å; A237-I239 HydrophobicContact CB-CG1 3.91Å; A237-R277 PolarHBondContact O-NH2 3.38Å
238	G	98.1	Very high	98	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	76.2	28.8	-178.2	0	0	0	0	0	114.6	T103 C235 R277	T103-G238 WeakPolarHBondContact O-CA 3.43Å; C235-G238 PolarHBondContact SG-N 2.9Å; G238-R277 PolarHBondContact O-NE 3.08Å
239	I	98.2	Very high	98.1	Very high	4 Å²	4	6.9 Å²	6.9	2%	0.021	4%	0.035	C	C	.	.	S	Bend	trans	-136.3	-45.5	-174.4	63.2	-177.5	0	0	0	114.2	V66 A237 G243 R277 M278 I280 I281 Q282	V66-I239 HydrophobicContact CB-CD1 4.45Å; V66-I239 HydrophobicContact CG1-CD1 3.92Å; V66-I239 HydrophobicContact CG1-CG2 3.82Å; V66-I239 HydrophobicContact CG2-CD1 3.66Å; A237-I239 HydrophobicContact CB-CD1 4.15Å; A237-I239 HydrophobicContact CB-CG1 3.91Å; I239-G243 VanDerWaalsContact O-CA 3.32Å; I239-G243 WeakPolarHBondContact O-CA 3.21Å; I239-G243 PolarHBondContact O-N 3.28Å; I239-G243 VanDerWaalsContact O-N 3.12Å; I239-R277 HydrophobicContact CG2-CG 4.22Å; I239-M278 VanDerWaalsContact CG2-O 3.24Å; I239-M278 WeakPolarHBondContact CG2-O 3.4Å; I239-I280 WeakPolarHBondContact O-CA 3.48Å; I239-I281 PolarHBondContact O-N 3.42Å; I239-Q282 HydrophobicContact CD1-CG 4.12Å; I239-Q282 VanDerWaalsContact CD1-NE2 3.28Å; I239-Q282 HydrophobicContact CG1-CG 3.93Å
240	G	97.2	Very high	98.1	Very high	6 Å²	6	2.3 Å²	2.3	6%	0.062	2%	0.017	C	C	.	.	H	α-helix	trans	-72.2	-83.3	-178.2	0	0	0	0	0	112.2	S242 G243 T244	G240-S242 VanDerWaalsContact C-N 3.32Å; G240-S242 PolarHBondContact O-N 2.84Å; G240-G243 WeakPolarHBondContact O-CA 3.47Å; G240-G243 PolarHBondContact O-N 2.76Å; G240-T244 PolarHBondContact O-N 3.42Å; G240-T244 PolarHBondContact O-OG1 3Å
241	R	97.5	Very high	98.1	Very high	2 Å²	2	2.1 Å²	2.1	1%	0.008	2%	0.015	C	C	.	.	H	α-helix	trans	-55.7	-44.4	178.9	-60.8	179.6	-92.3	-177.4	-8.3	112.4	L129 N130 E134 W199 D201 C235 G243 T244 F245	L129-R241 HydrophobicContact CB-CB 4.1Å; L129-R241 HydrophobicContact CD1-CB 4.32Å; L129-R241 VanDerWaalsContact O-CD 3.31Å; L129-R241 WeakPolarHBondContact O-CD 3.31Å; L129-R241 PolarHBondContact O-NH1 3.44Å; N130-R241 VanDerWaalsContact CA-NH1 3.31Å; E134-R241 IonicContact OE1-CZ 2.71Å; E134-R241 IonicContact OE1-NH1 3.64Å; E134-R241 PolarHBondContact OE1-NH1 2.94Å; E134-R241 IonicContact OE1-NH2 3.61Å; E134-R241 IonicContact OE2-CZ 2.84Å; E134-R241 IonicContact OE2-NH1 2.81Å; E134-R241 PolarHBondContact OE2-NH1 2.85Å; E134-R241 IonicContact OE2-NH2 3.73Å; E134-R241 PolarHBondContact OE2-NH2 3.34Å; W199-R241 HydrophobicContact CD2-CB 4.1Å; W199-R241 HydrophobicContact CD2-CG 3.89Å; W199-R241 HydrophobicContact CE3-CB 4.3Å; W199-R241 HydrophobicContact CG-CG 4.1Å; W199-R241 HydrophobicContact CH2-CB 4.22Å; W199-R241 WeakPolarHBondContact CH2-O 3.32Å; W199-R241 HydrophobicContact CZ2-CB 4Å; W199-R241 HydrophobicContact CZ2-CG 4.06Å; W199-R241 HydrophobicContact CZ3-CB 4.36Å; W199-R241 PolarHBondContact O-NH1 3.37Å; D201-R241 VanDerWaalsContact CG-NH2 3.26Å; D201-R241 IonicContact OD1-CZ 2.92Å; D201-R241 IonicContact OD1-NE 3.87Å; D201-R241 PolarHBondContact OD1-NE 3.02Å; D201-R241 IonicContact OD1-NH2 2.97Å; D201-R241 PolarHBondContact OD1-NH2 3.32Å; D201-R241 IonicContact OD2-NH2 3.18Å; C235-R241 HydrophobicContact CB-CB 3.98Å; R241-G243 VanDerWaalsContact C-N 3.32Å; R241-G243 PolarHBondContact O-N 3.24Å; R241-T244 PolarHBondContact O-N 2.87Å; R241-F245 PolarHBondContact O-N 3.33Å
242	S	98.4	Very high	98	Very high	0 Å²	0	2 Å²	2	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-60.1	-41	176	-52	0	0	0	0	112.4	H234 C235 G240 V246	H234-S242 WeakPolarHBondContact CA-OG 3.27Å; C235-S242 PolarHBondContact N-OG 3.02Å; C235-S242 PolarHBondContact SG-OG 3.39Å; G240-S242 VanDerWaalsContact C-N 3.32Å; G240-S242 PolarHBondContact O-N 2.84Å; S242-V246 WeakPolarHBondContact O-CG2 3.48Å; S242-V246 PolarHBondContact O-N 3.4Å; S242-V246 VanDerWaalsContact O-N 3.12Å
243	G	98.3	Very high	97.9	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-66.3	-45.8	176.3	0	0	0	0	0	113	I239 G240 R241 F245 V246 L247	I239-G243 VanDerWaalsContact O-CA 3.32Å; I239-G243 WeakPolarHBondContact O-CA 3.21Å; I239-G243 PolarHBondContact O-N 3.28Å; I239-G243 VanDerWaalsContact O-N 3.12Å; G240-G243 WeakPolarHBondContact O-CA 3.47Å; G240-G243 PolarHBondContact O-N 2.76Å; R241-G243 VanDerWaalsContact C-N 3.32Å; R241-G243 PolarHBondContact O-N 3.24Å; G243-F245 VanDerWaalsContact C-N 3.35Å; G243-F245 PolarHBondContact O-N 3.34Å; G243-V246 PolarHBondContact O-N 3.23Å; G243-L247 WeakPolarHBondContact O-CB 3.38Å; G243-L247 PolarHBondContact O-N 2.92Å
244	T	98.3	Very high	97.8	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-56.7	-47.5	174.8	-61.3	0	0	0	0	111.4	W199 G240 R241 L247 I248 F289	W199-T244 HydrophobicContact CH2-CG2 3.69Å; W199-T244 HydrophobicContact CZ2-CG2 3.76Å; G240-T244 PolarHBondContact O-N 3.42Å; G240-T244 PolarHBondContact O-OG1 3Å; R241-T244 PolarHBondContact O-N 2.87Å; T244-L247 PolarHBondContact O-N 3.11Å; T244-I248 HydrophobicContact CG2-CD1 3.83Å; T244-I248 WeakPolarHBondContact O-CD1 3.27Å; T244-I248 VanDerWaalsContact O-CG1 3.28Å; T244-I248 WeakPolarHBondContact O-CG1 3.37Å; T244-I248 PolarHBondContact O-N 3.25Å; T244-I248 VanDerWaalsContact O-N 3.1Å; T244-F289 HydrophobicContact CG2-CD1 3.93Å; T244-F289 HydrophobicContact CG2-CE1 4.44Å
245	F	98.3	Very high	97.7	Very high	2 Å²	2	4 Å²	4	1%	0.009	3%	0.025	C	C	.	.	H	α-helix	trans	-60.9	-47.6	179.4	-178	-95.4	0	0	0	112.4	I127 L129 I211 F214 L215 V218 I233 R241 G243 D249	I127-F245 HydrophobicContact CG2-CE1 4.24Å; I127-F245 HydrophobicContact CG2-CZ 4.27Å; L129-F245 HydrophobicContact CD1-CB 3.71Å; L129-F245 HydrophobicContact CD1-CG 4.15Å; L129-F245 HydrophobicContact CD2-CD2 4.4Å; I211-F245 HydrophobicContact CD1-CD2 4.09Å; I211-F245 HydrophobicContact CG1-CD2 4.49Å; F214-F245 HydrophobicContact CD1-CD2 4.44Å; F214-F245 AromaticContact CD1-CE2 3.72Å; F214-F245 HydrophobicContact CD1-CE2 3.72Å; F214-F245 HydrophobicContact CD1-CZ 4.45Å; F214-F245 AromaticContact CE1-CE2 3.85Å; F214-F245 HydrophobicContact CE1-CE2 3.85Å; F214-F245 HydrophobicContact CE1-CZ 4.29Å; L215-F245 HydrophobicContact CB-CE2 4.04Å; L215-F245 HydrophobicContact CB-CZ 4.42Å; L215-F245 HydrophobicContact CD1-CE1 4.18Å; L215-F245 HydrophobicContact CD1-CE2 3.95Å; L215-F245 HydrophobicContact CD1-CZ 3.56Å; V218-F245 HydrophobicContact CB-CZ 4.47Å; V218-F245 HydrophobicContact CG1-CZ 4.5Å; V218-F245 HydrophobicContact CG2-CZ 4.19Å; I233-F245 HydrophobicContact CD1-CD1 4.04Å; I233-F245 HydrophobicContact CD1-CE1 4.15Å; I233-F245 HydrophobicContact CG2-CD1 4.39Å; R241-F245 PolarHBondContact O-N 3.33Å; G243-F245 VanDerWaalsContact C-N 3.35Å; G243-F245 PolarHBondContact O-N 3.34Å; F245-D249 PolarHBondContact O-N 3.02Å; F245-D249 VanDerWaalsContact O-N 3.15Å
246	V	98.6	Very high	97.5	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.006	4%	0.036	C	C	.	.	H	α-helix	trans	-65.6	-43	178.9	166.4	0	0	0	0	112.2	V90 Y100 L102 I233 S242 G243 I248 D249 L250 L273	V90-V246 HydrophobicContact CG1-CG1 4.26Å; Y100-V246 HydrophobicContact CD1-CG2 4.28Å; Y100-V246 HydrophobicContact CD2-CG1 3.8Å; Y100-V246 HydrophobicContact CD2-CG2 4.13Å; Y100-V246 HydrophobicContact CE1-CG2 4.4Å; Y100-V246 HydrophobicContact CE2-CB 4.48Å; Y100-V246 HydrophobicContact CE2-CG1 3.52Å; Y100-V246 HydrophobicContact CE2-CG2 4.29Å; Y100-V246 HydrophobicContact CG-CG2 4.09Å; L102-V246 HydrophobicContact CD1-CG2 3.75Å; I233-V246 HydrophobicContact CD1-CG2 3.56Å; S242-V246 WeakPolarHBondContact O-CG2 3.48Å; S242-V246 PolarHBondContact O-N 3.4Å; S242-V246 VanDerWaalsContact O-N 3.12Å; G243-V246 PolarHBondContact O-N 3.23Å; V246-I248 VanDerWaalsContact C-N 3.33Å; V246-I248 PolarHBondContact O-N 2.75Å; V246-D249 PolarHBondContact O-N 3.38Å; V246-L250 HydrophobicContact CG1-CD1 3.74Å; V246-L250 HydrophobicContact CG1-CG 4.27Å; V246-L250 WeakPolarHBondContact O-CG 3.27Å; V246-L250 PolarHBondContact O-N 2.95Å; V246-L273 HydrophobicContact CG1-CD1 4.29Å; V246-L273 HydrophobicContact CG1-CD2 3.73Å
247	L	98.6	Very high	97.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61	-44.7	179.7	-177	158.7	0	0	0	111.1	G243 T244 D249 L250 A251 I266 L269 F270 L273 I281 C290	G243-L247 WeakPolarHBondContact O-CB 3.38Å; G243-L247 PolarHBondContact O-N 2.92Å; T244-L247 PolarHBondContact O-N 3.11Å; L247-D249 PolarHBondContact O-N 3.13Å; L247-L250 PolarHBondContact O-N 3.23Å; L247-A251 VanDerWaalsContact O-CB 3.32Å; L247-A251 WeakPolarHBondContact O-CB 3.13Å; L247-A251 PolarHBondContact O-N 2.73Å; L247-I266 HydrophobicContact CD1-CG2 4.21Å; L247-I266 HydrophobicContact CD2-CD1 3.97Å; L247-I266 HydrophobicContact CD2-CG2 4.08Å; L247-L269 HydrophobicContact CD1-CB 4.35Å; L247-L269 HydrophobicContact CG-CB 4.23Å; L247-F270 HydrophobicContact CD1-CB 4.21Å; L247-L273 HydrophobicContact CB-CD1 3.72Å; L247-L273 HydrophobicContact CD1-CD1 4.41Å; L247-L273 HydrophobicContact CG-CD1 4.26Å; L247-I281 HydrophobicContact CB-CD1 4.26Å; L247-I281 HydrophobicContact CD1-CD1 3.45Å; L247-I281 VanDerWaalsContact CD1-CD1 3.45Å; L247-I281 HydrophobicContact CG-CD1 4.43Å; L247-C290 HydrophobicContact CD2-CB 3.66Å
248	I	98.4	Very high	97.2	Very high	4 Å²	4	13.6 Å²	13.6	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-59.9	-47.3	177	-68.3	163.2	0	0	0	110.1	L212 L215 T244 V246 L250 A251 L252 F289 C290 T293 V294	L212-I248 HydrophobicContact CD2-CG2 4.3Å; L215-I248 HydrophobicContact CD2-CG2 4.12Å; T244-I248 HydrophobicContact CG2-CD1 3.83Å; T244-I248 WeakPolarHBondContact O-CD1 3.27Å; T244-I248 VanDerWaalsContact O-CG1 3.28Å; T244-I248 WeakPolarHBondContact O-CG1 3.37Å; T244-I248 PolarHBondContact O-N 3.25Å; T244-I248 VanDerWaalsContact O-N 3.1Å; V246-I248 VanDerWaalsContact C-N 3.33Å; V246-I248 PolarHBondContact O-N 2.75Å; I248-L250 PolarHBondContact O-N 3.01Å; I248-A251 PolarHBondContact O-N 3.49Å; I248-L252 HydrophobicContact CG2-CD1 3.84Å; I248-L252 HydrophobicContact CG2-CG 4.41Å; I248-L252 WeakPolarHBondContact O-CG 3.39Å; I248-L252 PolarHBondContact O-N 3.46Å; I248-F289 HydrophobicContact CD1-CD1 4.37Å; I248-F289 HydrophobicContact CD1-CE1 4.18Å; I248-C290 HydrophobicContact CG1-CB 4.48Å; I248-T293 HydrophobicContact CD1-CG2 3.92Å; I248-T293 HydrophobicContact CG1-CG2 4.4Å; I248-T293 HydrophobicContact CG2-CG2 4.07Å; I248-V294 HydrophobicContact CG1-CG2 4.44Å
249	D	98.4	Very high	97	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.5	-47.4	179.2	-176.9	42.1	0	0	0	112.5	R98 Y100 L215 R219 F245 V246 L247 L252 I253	R98-D249 IonicContact CZ-OD1 3.29Å; R98-D249 IonicContact CZ-OD2 3.78Å; R98-D249 IonicContact NE-OD1 3.41Å; R98-D249 IonicContact NE-OD2 3.17Å; R98-D249 PolarHBondContact NE-OD2 2.86Å; R98-D249 IonicContact NH2-OD1 2.67Å; R98-D249 PolarHBondContact NH2-OD1 3.15Å; R98-D249 IonicContact NH2-OD2 2.85Å; R98-D249 PolarHBondContact NH2-OD2 3.1Å; Y100-D249 PolarHBondContact OH-OD2 3.42Å; L215-D249 HydrophobicContact CD1-CB 3.89Å; L215-D249 HydrophobicContact CD2-CB 4.11Å; R219-D249 IonicContact CZ-OD1 2.73Å; R219-D249 IonicContact NE-OD1 3.1Å; R219-D249 PolarHBondContact NE-OD1 2.92Å; R219-D249 PolarHBondContact NH2-O 3.29Å; R219-D249 VanDerWaalsContact NH2-O 3.1Å; R219-D249 IonicContact NH2-OD1 3.96Å; R219-D249 PolarHBondContact NH2-OD1 2.97Å; F245-D249 PolarHBondContact O-N 3.02Å; F245-D249 VanDerWaalsContact O-N 3.15Å; V246-D249 PolarHBondContact O-N 3.38Å; L247-D249 PolarHBondContact O-N 3.13Å; D249-L252 PolarHBondContact O-N 2.73Å; D249-I253 VanDerWaalsContact O-CG1 3.31Å; D249-I253 WeakPolarHBondContact O-CG1 3.48Å; D249-I253 PolarHBondContact O-N 3.18Å; D249-I253 VanDerWaalsContact O-N 3.08Å
250	L	98.3	Very high	96.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.1	-44.4	178.5	-70.9	171.9	0	0	0	112.3	I92 V95 R98 Y100 V246 L247 I248 L252 I253 L254 L269 L273	I92-L250 HydrophobicContact CD1-CB 4.33Å; I92-L250 HydrophobicContact CD1-CD1 4.06Å; I92-L250 HydrophobicContact CD1-CD2 4.16Å; I92-L250 HydrophobicContact CD1-CG 4.43Å; I92-L250 HydrophobicContact CG1-CD1 4.26Å; I92-L250 HydrophobicContact CG1-CD2 4.13Å; I92-L250 HydrophobicContact CG2-CD1 4.22Å; V95-L250 HydrophobicContact CB-CD2 3.97Å; V95-L250 HydrophobicContact CG1-CD2 4.11Å; V95-L250 HydrophobicContact CG2-CD2 4.25Å; R98-L250 HydrophobicContact CB-CD2 4.13Å; R98-L250 HydrophobicContact CG-CD2 4.13Å; Y100-L250 HydrophobicContact CE2-CD1 4.3Å; Y100-L250 HydrophobicContact CE2-CD2 4.06Å; Y100-L250 HydrophobicContact CE2-CG 4.15Å; V246-L250 HydrophobicContact CG1-CD1 3.74Å; V246-L250 HydrophobicContact CG1-CG 4.27Å; V246-L250 WeakPolarHBondContact O-CG 3.27Å; V246-L250 PolarHBondContact O-N 2.95Å; L247-L250 PolarHBondContact O-N 3.23Å; I248-L250 PolarHBondContact O-N 3.01Å; L250-L252 VanDerWaalsContact C-N 3.29Å; L250-L252 PolarHBondContact O-N 3.34Å; L250-I253 HydrophobicContact CD2-CD1 4.34Å; L250-I253 PolarHBondContact O-N 3.43Å; L250-L254 WeakPolarHBondContact O-CG 3.48Å; L250-L254 PolarHBondContact O-N 3.26Å; L250-L254 VanDerWaalsContact O-N 3.1Å; L250-L269 HydrophobicContact CB-CD2 4.35Å; L250-L273 HydrophobicContact CD1-CD1 4.41Å; L250-L273 HydrophobicContact CD1-CD2 3.69Å; L250-L273 HydrophobicContact CD1-CG 4.33Å
251	A	98	Very high	96.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.5	-44.4	176.3	0	0	0	0	0	111	L247 I248 I253 L254 I255 V264 I266 L269 V294	L247-A251 VanDerWaalsContact O-CB 3.32Å; L247-A251 WeakPolarHBondContact O-CB 3.13Å; L247-A251 PolarHBondContact O-N 2.73Å; I248-A251 PolarHBondContact O-N 3.49Å; A251-I253 PolarHBondContact O-N 3.08Å; A251-L254 WeakPolarHBondContact O-CB 3.31Å; A251-L254 PolarHBondContact O-N 2.99Å; A251-I255 WeakPolarHBondContact O-CG1 3.25Å; A251-I255 PolarHBondContact O-N 3.46Å; A251-V264 HydrophobicContact CB-CG1 3.98Å; A251-I266 HydrophobicContact CB-CD1 3.86Å; A251-L269 HydrophobicContact CB-CD1 3.75Å; A251-V294 HydrophobicContact CB-CG1 4.07Å; A251-V294 HydrophobicContact CB-CG2 3.59Å
252	L	97.3	Very high	96.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.6	-37.9	179.3	-66.3	171.3	0	0	0	112.9	L212 L215 W216 I248 D249 L250 L254 I255 E256 A297 L301	L212-L252 HydrophobicContact CD2-CD1 3.96Å; L215-L252 HydrophobicContact CD2-CD1 3.7Å; W216-L252 HydrophobicContact CH2-CD1 3.77Å; W216-L252 HydrophobicContact CZ3-CD1 3.68Å; I248-L252 HydrophobicContact CG2-CD1 3.84Å; I248-L252 HydrophobicContact CG2-CG 4.41Å; I248-L252 WeakPolarHBondContact O-CG 3.39Å; I248-L252 PolarHBondContact O-N 3.46Å; D249-L252 PolarHBondContact O-N 2.73Å; L250-L252 VanDerWaalsContact C-N 3.29Å; L250-L252 PolarHBondContact O-N 3.34Å; L252-L254 VanDerWaalsContact C-N 3.31Å; L252-L254 PolarHBondContact O-N 3.29Å; L252-I255 HydrophobicContact CD2-CD1 4.5Å; L252-I255 PolarHBondContact O-N 2.95Å; L252-E256 WeakPolarHBondContact O-CB 3.39Å; L252-E256 VanDerWaalsContact O-CG 3.27Å; L252-E256 WeakPolarHBondContact O-CG 3.07Å; L252-E256 PolarHBondContact O-N 3.39Å; L252-A297 HydrophobicContact CD1-CB 4.44Å; L252-A297 HydrophobicContact CD2-CB 3.41Å; L252-A297 VanDerWaalsContact CD2-CB 3.41Å; L252-L301 HydrophobicContact CD2-CD1 4.15Å
253	I	96.3	Very high	95.5	Very high	12 Å²	12	26 Å²	26	6%	0.062	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-43.6	174.2	-62	158.4	0	0	0	110.5	V95 R98 D249 L250 A251 I255 E256 Q257	V95-I253 HydrophobicContact CG1-CB 4.17Å; V95-I253 HydrophobicContact CG1-CD1 3.75Å; V95-I253 HydrophobicContact CG1-CG2 3.59Å; V95-I253 HydrophobicContact CG2-CG2 4.38Å; R98-I253 HydrophobicContact CB-CD1 4.14Å; R98-I253 HydrophobicContact CG-CD1 3.93Å; D249-I253 VanDerWaalsContact O-CG1 3.31Å; D249-I253 WeakPolarHBondContact O-CG1 3.48Å; D249-I253 PolarHBondContact O-N 3.18Å; D249-I253 VanDerWaalsContact O-N 3.08Å; L250-I253 HydrophobicContact CD2-CD1 4.34Å; L250-I253 PolarHBondContact O-N 3.43Å; A251-I253 PolarHBondContact O-N 3.08Å; I253-I255 VanDerWaalsContact C-N 3.32Å; I253-I255 PolarHBondContact O-N 2.97Å; I253-E256 PolarHBondContact O-N 2.91Å; I253-Q257 HydrophobicContact CG2-CG 4.15Å; I253-Q257 WeakPolarHBondContact O-CB 3.41Å; I253-Q257 VanDerWaalsContact O-CG 3.25Å; I253-Q257 WeakPolarHBondContact O-CG 3.48Å; I253-Q257 PolarHBondContact O-N 3.04Å
254	L	96.5	Very high	95.2	Very high	31 Å²	31	26.1 Å²	26.1	16%	0.162	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-39.3	177.1	-67.9	172.8	0	0	0	111.8	E94 V95 L250 A251 L252 A258 V264 L269	E94-L254 HydrophobicContact CB-CD2 4.17Å; V95-L254 HydrophobicContact CG2-CD2 3.66Å; V95-L254 HydrophobicContact CG2-CG 3.92Å; L250-L254 WeakPolarHBondContact O-CG 3.48Å; L250-L254 PolarHBondContact O-N 3.26Å; L250-L254 VanDerWaalsContact O-N 3.1Å; A251-L254 WeakPolarHBondContact O-CB 3.31Å; A251-L254 PolarHBondContact O-N 2.99Å; L252-L254 VanDerWaalsContact C-N 3.31Å; L252-L254 PolarHBondContact O-N 3.29Å; L254-A258 WeakPolarHBondContact O-CB 3.49Å; L254-A258 PolarHBondContact O-N 3.44Å; L254-V264 HydrophobicContact CB-CG2 3.91Å; L254-L269 HydrophobicContact CD1-CD1 4.19Å; L254-L269 HydrophobicContact CD1-CD2 3.92Å; L254-L269 HydrophobicContact CD1-CG 4.39Å
255	I	95.9	Very high	95.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-44.8	173.7	-63.4	-177	0	0	0	111.1	A251 L252 I253 N259 S260 I261 V264 V294 A298 L302	A251-I255 WeakPolarHBondContact O-CG1 3.25Å; A251-I255 PolarHBondContact O-N 3.46Å; L252-I255 HydrophobicContact CD2-CD1 4.5Å; L252-I255 PolarHBondContact O-N 2.95Å; I253-I255 VanDerWaalsContact C-N 3.32Å; I253-I255 PolarHBondContact O-N 2.97Å; I255-N259 CarbonylContact O-C 3.5Å; I255-N259 WeakPolarHBondContact O-CA 3.27Å; I255-N259 PolarHBondContact O-N 3.34Å; I255-S260 PolarHBondContact O-N 3.49Å; I255-I261 HydrophobicContact CD1-CB 4.33Å; I255-I261 HydrophobicContact CD1-CG1 4.03Å; I255-V264 HydrophobicContact CD1-CG2 4.24Å; I255-V264 HydrophobicContact CG1-CG2 3.43Å; I255-V264 VanDerWaalsContact CG1-CG2 3.43Å; I255-V294 HydrophobicContact CD1-CG1 3.72Å; I255-A298 HydrophobicContact CD1-CB 3.64Å; I255-A298 HydrophobicContact CG2-CB 4.48Å; I255-L302 HydrophobicContact CG2-CD1 4.27Å; I255-L302 HydrophobicContact CG2-CD2 3.91Å; I255-L302 HydrophobicContact CG2-CG 4.15Å
256	E	94.2	Very high	95.1	Very high	54 Å²	54	29.6 Å²	29.6	25%	0.252	19%	0.185	S	C	.	.	H	α-helix	trans	-64.8	-43	-179.6	-71.9	168.8	133.6	0	0	111.4	R219 L252 I253 N259	R219-E256 IonicContact CZ-OE2 3.37Å; R219-E256 IonicContact NH1-OE1 2.74Å; R219-E256 PolarHBondContact NH1-OE1 3.12Å; R219-E256 IonicContact NH1-OE2 3.23Å; R219-E256 PolarHBondContact NH1-OE2 3.1Å; R219-E256 IonicContact NH2-OE2 2.91Å; L252-E256 WeakPolarHBondContact O-CB 3.39Å; L252-E256 VanDerWaalsContact O-CG 3.27Å; L252-E256 WeakPolarHBondContact O-CG 3.07Å; L252-E256 PolarHBondContact O-N 3.39Å; I253-E256 PolarHBondContact O-N 2.91Å; E256-N259 PolarHBondContact O-N 3.43Å
257	Q	92.9	Very high	95	Very high	109 Å²	109	32.5 Å²	32.5	51%	0.509	20%	0.198	S	C	.	.	H	α-helix	trans	-65.1	-45.8	177.3	-74.4	173.4	-13.5	0	0	112.6	I253 N259	I253-Q257 HydrophobicContact CG2-CG 4.15Å; I253-Q257 WeakPolarHBondContact O-CB 3.41Å; I253-Q257 VanDerWaalsContact O-CG 3.25Å; I253-Q257 WeakPolarHBondContact O-CG 3.48Å; I253-Q257 PolarHBondContact O-N 3.04Å; Q257-N259 VanDerWaalsContact C-N 3.3Å
258	A	93.5	Very high	94.9	Very high	60 Å²	60	35.3 Å²	35.3	50%	0.496	21%	0.212	S	C	.	.	H	α-helix	trans	-82	-10.6	179.7	0	0	0	0	0	113.1	L254 S260	L254-A258 WeakPolarHBondContact O-CB 3.49Å; L254-A258 PolarHBondContact O-N 3.44Å; A258-S260 PolarHBondContact O-N 3.41Å; A258-S260 VanDerWaalsContact O-N 3.15Å
259	N	94	Very high	94.8	Very high	93 Å²	93	35.2 Å²	35.2	50%	0.497	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	37.8	-165.9	-164.3	48.3	0	0	0	112.7	I255 E256 Q257 R309	I255-N259 CarbonylContact O-C 3.5Å; I255-N259 WeakPolarHBondContact O-CA 3.27Å; I255-N259 PolarHBondContact O-N 3.34Å; E256-N259 PolarHBondContact O-N 3.43Å; Q257-N259 VanDerWaalsContact C-N 3.3Å; N259-R309 PolarHBondContact OD1-NH2 3.15Å
260	S	94.1	Very high	94.8	Very high	40 Å²	40	35.2 Å²	35.2	28%	0.28	21%	0.212	S	C	.	.	S	Bend	trans	-163.2	143.1	-172.8	-179.7	0	0	0	0	110.7	I255 A258 S262	I255-S260 PolarHBondContact O-N 3.49Å; A258-S260 PolarHBondContact O-N 3.41Å; A258-S260 VanDerWaalsContact O-N 3.15Å; S260-S262 PolarHBondContact OG-N 3.46Å
261	I	94.1	Very high	94.8	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.026	22%	0.215	C	C	.	.	S	Bend	trans	-80.5	-20.4	172.7	-168.9	178	0	0	0	112.8	V16 R17 I255 G263 V264 I295 A298 L302	V16-I261 HydrophobicContact CB-CD1 4.39Å; V16-I261 HydrophobicContact CB-CG1 4.44Å; V16-I261 HydrophobicContact CG2-CG1 4.48Å; R17-I261 HydrophobicContact CG-CD1 4.36Å; I255-I261 HydrophobicContact CD1-CB 4.33Å; I255-I261 HydrophobicContact CD1-CG1 4.03Å; I261-G263 PolarHBondContact O-N 2.92Å; I261-V264 PolarHBondContact O-N 3.38Å; I261-V264 VanDerWaalsContact O-N 3.14Å; I261-I295 HydrophobicContact CD1-CG1 4.11Å; I261-A298 HydrophobicContact CB-CB 4.2Å; I261-A298 HydrophobicContact CD1-CB 3.7Å; I261-A298 HydrophobicContact CG1-CB 4.14Å; I261-L302 HydrophobicContact CB-CD1 4.32Å; I261-L302 HydrophobicContact CG2-CD1 4.46Å
262	S	89	Confident	94.8	Very high	71 Å²	71	37.1 Å²	37.1	50%	0.497	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-11.7	-171.1	-52.5	0	0	0	0	114.9	S260	S260-S262 PolarHBondContact OG-N 3.46Å
263	G	81.9	Confident	94.9	Very high	64 Å²	64	37.1 Å²	37.1	66%	0.66	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-4.1	177.8	0	0	0	0	0	114.5	I261	I261-G263 PolarHBondContact O-N 2.92Å
264	V	93.8	Very high	94.9	Very high	3 Å²	3	37 Å²	37	2%	0.018	22%	0.22	C	C	.	.			trans	-87.7	122.3	-177.3	178.3	0	0	0	0	110.1	V16 A251 L254 I255 I261 I266 L269	V16-V264 HydrophobicContact CG2-CB 4.2Å; V16-V264 HydrophobicContact CG2-CG1 4.41Å; V16-V264 WeakPolarHBondContact CG2-O 3.35Å; A251-V264 HydrophobicContact CB-CG1 3.98Å; L254-V264 HydrophobicContact CB-CG2 3.91Å; I255-V264 HydrophobicContact CD1-CG2 4.24Å; I255-V264 HydrophobicContact CG1-CG2 3.43Å; I255-V264 VanDerWaalsContact CG1-CG2 3.43Å; I261-V264 PolarHBondContact O-N 3.38Å; I261-V264 VanDerWaalsContact O-N 3.14Å; V264-I266 HydrophobicContact CG1-CD1 3.75Å; V264-I266 HydrophobicContact CG1-CG1 4.3Å; V264-L269 HydrophobicContact CG1-CD1 4.29Å
265	D	95.4	Very high	95	Very high	74 Å²	74	39.6 Å²	39.6	40%	0.396	23%	0.23	S	C	.	.			trans	-111.3	101.1	171.9	-175.3	-19.2	0	0	0	109.6	K267 N268 L269	D265-K267 VanDerWaalsContact C-N 3.29Å; D265-K267 PolarHBondContact O-N 3.02Å; D265-K267 WeakPolarHBondContact OD1-CA 3.48Å; D265-K267 WeakPolarHBondContact OD1-CB 3.48Å; D265-K267 PolarHBondContact OD1-N 3.45Å; D265-N268 HydrophobicContact CB-CB 3.82Å; D265-N268 PolarHBondContact O-N 3.48Å; D265-N268 PolarHBondContact OD1-N 2.93Å; D265-L269 WeakPolarHBondContact O-CG 3.22Å; D265-L269 PolarHBondContact O-N 3.32Å
266	I	97.2	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-33.4	-179.5	-60.1	-63.6	0	0	0	111.6	V16 L247 A251 V264 L269 F270 L287 Y291 V294	V16-I266 HydrophobicContact CG1-CG1 4.07Å; V16-I266 HydrophobicContact CG2-CG1 4.37Å; L247-I266 HydrophobicContact CD1-CG2 4.21Å; L247-I266 HydrophobicContact CD2-CD1 3.97Å; L247-I266 HydrophobicContact CD2-CG2 4.08Å; A251-I266 HydrophobicContact CB-CD1 3.86Å; V264-I266 HydrophobicContact CG1-CD1 3.75Å; V264-I266 HydrophobicContact CG1-CG1 4.3Å; I266-L269 HydrophobicContact CD1-CD1 4.34Å; I266-L269 PolarHBondContact O-N 3.3Å; I266-F270 WeakPolarHBondContact O-CB 3.2Å; I266-F270 PolarHBondContact O-N 3.06Å; I266-L287 HydrophobicContact CG2-CD1 4.15Å; I266-Y291 HydrophobicContact CB-CD2 4.19Å; I266-Y291 HydrophobicContact CB-CE1 4.17Å; I266-Y291 HydrophobicContact CB-CE2 3.61Å; I266-Y291 HydrophobicContact CG1-CD1 4.4Å; I266-Y291 HydrophobicContact CG1-CD2 4.44Å; I266-Y291 HydrophobicContact CG1-CE1 4.22Å; I266-Y291 HydrophobicContact CG1-CE2 4.26Å; I266-Y291 HydrophobicContact CG2-CD2 3.68Å; I266-Y291 HydrophobicContact CG2-CE2 3.3Å; I266-V294 HydrophobicContact CD1-CB 4.37Å; I266-V294 HydrophobicContact CD1-CG1 4.27Å; I266-V294 HydrophobicContact CD1-CG2 4.03Å
267	K	97.1	Very high	95.3	Very high	63 Å²	63	37.4 Å²	37.4	27%	0.274	22%	0.221	S	C	.	.	H	α-helix	trans	-68	-42.2	176.6	-61.7	-177.3	-64.5	-154	0	110.6	E19 L36 D265 F270 L271 Y291	E19-K267 WeakPolarHBondContact OE1-CD 3.49Å; E19-K267 WeakPolarHBondContact OE1-CE 3.49Å; E19-K267 IonicContact OE1-NZ 2.96Å; E19-K267 PolarHBondContact OE1-NZ 3.23Å; L36-K267 HydrophobicContact CD1-CB 4.34Å; L36-K267 HydrophobicContact CD1-CG 4.01Å; L36-K267 HydrophobicContact CD2-CB 3.85Å; L36-K267 HydrophobicContact CD2-CD 4.28Å; L36-K267 HydrophobicContact CD2-CG 4.14Å; D265-K267 VanDerWaalsContact C-N 3.29Å; D265-K267 PolarHBondContact O-N 3.02Å; D265-K267 WeakPolarHBondContact OD1-CA 3.48Å; D265-K267 WeakPolarHBondContact OD1-CB 3.48Å; D265-K267 PolarHBondContact OD1-N 3.45Å; K267-F270 WeakPolarHBondContact O-CB 3.45Å; K267-F270 PolarHBondContact O-N 2.96Å; K267-L271 VanDerWaalsContact O-CG 3.3Å; K267-L271 WeakPolarHBondContact O-CG 3.36Å; K267-L271 PolarHBondContact O-N 2.89Å; K267-Y291 WeakPolarHBondContact CG-OH 3.44Å
268	N	96.3	Very high	95.5	Very high	58 Å²	58	34.4 Å²	34.4	31%	0.31	21%	0.207	S	C	.	.	H	α-helix	trans	-63.8	-46.6	175.9	-169	62.8	0	0	0	111	D265 F270 L271 E272	D265-N268 HydrophobicContact CB-CB 3.82Å; D265-N268 PolarHBondContact O-N 3.48Å; D265-N268 PolarHBondContact OD1-N 2.93Å; N268-F270 VanDerWaalsContact C-N 3.3Å; N268-F270 PolarHBondContact O-N 3.47Å; N268-L271 PolarHBondContact O-N 3.44Å; N268-E272 WeakPolarHBondContact O-CG 3.43Å; N268-E272 PolarHBondContact O-N 3.48Å
269	L	97.7	Very high	95.7	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-55.5	-44.4	174.5	-72.3	176.3	0	0	0	112.3	I92 L247 L250 A251 L254 V264 D265 I266 L271 E272 L273	I92-L269 HydrophobicContact CD1-CD2 3.3Å; L247-L269 HydrophobicContact CD1-CB 4.35Å; L247-L269 HydrophobicContact CG-CB 4.23Å; L250-L269 HydrophobicContact CB-CD2 4.35Å; A251-L269 HydrophobicContact CB-CD1 3.75Å; L254-L269 HydrophobicContact CD1-CD1 4.19Å; L254-L269 HydrophobicContact CD1-CD2 3.92Å; L254-L269 HydrophobicContact CD1-CG 4.39Å; V264-L269 HydrophobicContact CG1-CD1 4.29Å; D265-L269 WeakPolarHBondContact O-CG 3.22Å; D265-L269 PolarHBondContact O-N 3.32Å; I266-L269 HydrophobicContact CD1-CD1 4.34Å; I266-L269 PolarHBondContact O-N 3.3Å; L269-L271 VanDerWaalsContact C-N 3.33Å; L269-L271 PolarHBondContact O-N 2.98Å; L269-E272 PolarHBondContact O-N 3.44Å; L269-L273 WeakPolarHBondContact O-CB 3.03Å; L269-L273 WeakPolarHBondContact O-CG 3.28Å; L269-L273 PolarHBondContact O-N 3.27Å
270	F	98.2	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57	-45.8	174.5	175.9	-79.1	0	0	0	111.8	Y33 L36 L247 I266 K267 N268 R274 I280 I281 L287	Y33-F270 HydrophobicContact CD2-CE2 4.38Å; Y33-F270 HydrophobicContact CD2-CZ 4.47Å; Y33-F270 HydrophobicContact CE2-CE2 4.07Å; Y33-F270 HydrophobicContact CE2-CZ 4.13Å; L36-F270 HydrophobicContact CB-CD1 3.92Å; L36-F270 HydrophobicContact CB-CE1 3.59Å; L36-F270 HydrophobicContact CB-CZ 4.2Å; L36-F270 HydrophobicContact CD1-CD1 4.44Å; L247-F270 HydrophobicContact CD1-CB 4.21Å; I266-F270 WeakPolarHBondContact O-CB 3.2Å; I266-F270 PolarHBondContact O-N 3.06Å; K267-F270 WeakPolarHBondContact O-CB 3.45Å; K267-F270 PolarHBondContact O-N 2.96Å; N268-F270 VanDerWaalsContact C-N 3.3Å; N268-F270 PolarHBondContact O-N 3.47Å; F270-R274 VanDerWaalsContact CE1-CD 3.46Å; F270-R274 HydrophobicContact CE1-CG 4.4Å; F270-R274 VanDerWaalsContact CE1-NE 3.34Å; F270-R274 WeakPolarHBondContact O-CB 3.38Å; F270-R274 WeakPolarHBondContact O-CG 3.45Å; F270-R274 PolarHBondContact O-N 3.44Å; F270-R274 VanDerWaalsContact O-N 3.14Å; F270-I280 WeakPolarHBondContact CE2-O 3.14Å; F270-I281 HydrophobicContact CD2-CB 4.07Å; F270-I281 HydrophobicContact CD2-CD1 3.91Å; F270-I281 HydrophobicContact CD2-CG2 4.41Å; F270-I281 HydrophobicContact CE2-CB 3.76Å; F270-I281 HydrophobicContact CE2-CD1 4.48Å; F270-I281 HydrophobicContact CE2-CG2 3.99Å; F270-L287 HydrophobicContact CD2-CD1 4.1Å
271	L	98	Very high	96.1	Very high	10 Å²	10	26 Å²	26	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-69.1	-44.2	-179.4	-67.4	170.6	0	0	0	112.1	L36 K39 L43 K267 N268 L269 R274 K275	L36-L271 HydrophobicContact CD2-CD1 4.28Å; L36-L271 HydrophobicContact CD2-CD2 4.41Å; L36-L271 HydrophobicContact CD2-CG 4.32Å; K39-L271 HydrophobicContact CB-CD2 4.21Å; K39-L271 HydrophobicContact CD-CD1 3.81Å; K39-L271 HydrophobicContact CD-CD2 4.28Å; K39-L271 HydrophobicContact CG-CD1 4.45Å; K39-L271 HydrophobicContact CG-CD2 4.13Å; L43-L271 HydrophobicContact CD1-CD2 4.33Å; K267-L271 VanDerWaalsContact O-CG 3.3Å; K267-L271 WeakPolarHBondContact O-CG 3.36Å; K267-L271 PolarHBondContact O-N 2.89Å; N268-L271 PolarHBondContact O-N 3.44Å; L269-L271 VanDerWaalsContact C-N 3.33Å; L269-L271 PolarHBondContact O-N 2.98Å; L271-R274 PolarHBondContact O-N 3.38Å; L271-K275 PolarHBondContact O-N 3.21Å
272	E	97.7	Very high	96.1	Very high	30 Å²	30	28.7 Å²	28.7	14%	0.14	17%	0.167	C	C	.	.	H	α-helix	trans	-61.8	-46.1	177.4	-68.9	-52.8	135	0	0	111.5	I92 N268 L269 R274 K275	I92-E272 HydrophobicContact CG2-CB 3.75Å; N268-E272 WeakPolarHBondContact O-CG 3.43Å; N268-E272 PolarHBondContact O-N 3.48Å; L269-E272 PolarHBondContact O-N 3.44Å; E272-R274 PolarHBondContact O-N 2.98Å; E272-K275 WeakPolarHBondContact O-CB 3.39Å; E272-K275 PolarHBondContact O-N 3.15Å; E272-K275 WeakPolarHBondContact OE1-CE 3.21Å; E272-K275 IonicContact OE1-NZ 2.96Å; E272-K275 PolarHBondContact OE1-NZ 2.75Å; E272-K275 WeakPolarHBondContact OE2-CD 3.32Å; E272-K275 WeakPolarHBondContact OE2-CE 3.14Å; E272-K275 IonicContact OE2-NZ 2.9Å; E272-K275 PolarHBondContact OE2-NZ 2.59Å
273	L	98.5	Very high	96.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-36.5	175.9	-71.2	173.3	0	0	0	112.2	V90 I92 V246 L247 L250 L269 K275 C276 R277 I280	V90-L273 HydrophobicContact CG1-CD2 3.31Å; I92-L273 HydrophobicContact CG2-CD2 4.32Å; V246-L273 HydrophobicContact CG1-CD1 4.29Å; V246-L273 HydrophobicContact CG1-CD2 3.73Å; L247-L273 HydrophobicContact CB-CD1 3.72Å; L247-L273 HydrophobicContact CD1-CD1 4.41Å; L247-L273 HydrophobicContact CG-CD1 4.26Å; L250-L273 HydrophobicContact CD1-CD1 4.41Å; L250-L273 HydrophobicContact CD1-CD2 3.69Å; L250-L273 HydrophobicContact CD1-CG 4.33Å; L269-L273 WeakPolarHBondContact O-CB 3.03Å; L269-L273 WeakPolarHBondContact O-CG 3.28Å; L269-L273 PolarHBondContact O-N 3.27Å; L273-K275 VanDerWaalsContact C-N 3.25Å; L273-K275 PolarHBondContact O-N 3.09Å; L273-C276 WeakPolarHBondContact O-CB 2.82Å; L273-C276 PolarHBondContact O-N 3.41Å; L273-C276 VanDerWaalsContact O-N 3.09Å; L273-R277 PolarHBondContact O-N 3.26Å; L273-R277 VanDerWaalsContact O-N 3.15Å; L273-I280 HydrophobicContact CB-CB 4.47Å; L273-I280 HydrophobicContact CB-CG1 4.38Å; L273-I280 HydrophobicContact CB-CG2 3.92Å; L273-I280 HydrophobicContact CD1-CG2 4.21Å
274	R	98.2	Very high	97.2	Very high	10 Å²	10	24 Å²	24	4%	0.038	12%	0.123	C	C	.	.	H	α-helix	trans	-71.4	-13.5	175.7	-77.7	-167.9	173.4	-149.7	1.1	114.3	Y33 S40 N44 F69 F270 L271 E272 C276 R277 I280 I281	Y33-R274 PolarHBondContact OH-NH2 3.47Å; S40-R274 VanDerWaalsContact CB-CD 3.47Å; S40-R274 VanDerWaalsContact OG-CD 3.23Å; S40-R274 WeakPolarHBondContact OG-CD 3.25Å; S40-R274 PolarHBondContact OG-NH1 2.81Å; S40-R274 VanDerWaalsContact OG-NH1 3.08Å; N44-R274 PolarHBondContact ND2-O 3.21Å; F69-R274 WeakPolarHBondContact CE2-O 3.33Å; F270-R274 VanDerWaalsContact CE1-CD 3.46Å; F270-R274 HydrophobicContact CE1-CG 4.4Å; F270-R274 VanDerWaalsContact CE1-NE 3.34Å; F270-R274 WeakPolarHBondContact O-CB 3.38Å; F270-R274 WeakPolarHBondContact O-CG 3.45Å; F270-R274 PolarHBondContact O-N 3.44Å; F270-R274 VanDerWaalsContact O-N 3.14Å; L271-R274 PolarHBondContact O-N 3.38Å; E272-R274 PolarHBondContact O-N 2.98Å; R274-C276 VanDerWaalsContact C-N 3.31Å; R274-R277 WeakPolarHBondContact CA-O 3.49Å; R274-I280 HydrophobicContact CG-CB 3.8Å; R274-I280 HydrophobicContact CG-CG1 4.46Å; R274-I280 VanDerWaalsContact CZ-O 3.31Å; R274-I280 PolarHBondContact NE-O 2.94Å; R274-I280 PolarHBondContact NH2-O 3.28Å; R274-I281 PolarHBondContact NH2-O 3.42Å
275	K	97.7	Very high	97.3	Very high	84 Å²	84	28.7 Å²	28.7	37%	0.365	15%	0.148	S	C	.	.	H	α-helix	trans	-73.2	-28.1	167.1	-60.8	178.3	-169.3	165.9	0	111.8	N44 F69 L271 E272 L273	N44-K275 WeakPolarHBondContact OD1-CA 3.23Å; F69-K275 WeakPolarHBondContact CD2-O 3.41Å; L271-K275 PolarHBondContact O-N 3.21Å; E272-K275 WeakPolarHBondContact O-CB 3.39Å; E272-K275 PolarHBondContact O-N 3.15Å; E272-K275 WeakPolarHBondContact OE1-CE 3.21Å; E272-K275 IonicContact OE1-NZ 2.96Å; E272-K275 PolarHBondContact OE1-NZ 2.75Å; E272-K275 WeakPolarHBondContact OE2-CD 3.32Å; E272-K275 WeakPolarHBondContact OE2-CE 3.14Å; E272-K275 IonicContact OE2-NZ 2.9Å; E272-K275 PolarHBondContact OE2-NZ 2.59Å; L273-K275 VanDerWaalsContact C-N 3.25Å; L273-K275 PolarHBondContact O-N 3.09Å
276	C	98.2	Very high	97.4	Very high	9 Å²	9	25.2 Å²	25.2	6%	0.061	13%	0.129	C	C	.	.	H	α-helix	trans	-83.2	-42	178.4	-60.5	0	0	0	0	112.9	T72 F89 V90 F91 L273 R274	T72-C276 WeakPolarHBondContact CB-O 3.33Å; T72-C276 PolarHBondContact OG1-O 2.95Å; F89-C276 WeakPolarHBondContact O-CB 3.34Å; V90-C276 HydrophobicContact CB-CB 4.31Å; V90-C276 HydrophobicContact CG1-CB 4.31Å; V90-C276 HydrophobicContact CG2-CB 4.01Å; F91-C276 PolarHBondContact O-SG 3.05Å; L273-C276 WeakPolarHBondContact O-CB 2.82Å; L273-C276 PolarHBondContact O-N 3.41Å; L273-C276 VanDerWaalsContact O-N 3.09Å; R274-C276 VanDerWaalsContact C-N 3.31Å
277	R	98.5	Very high	97.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-147.5	134.5	-178.5	-172.8	172.6	177.1	73.8	2.4	110	N86 S88 V90 A237 G238 I239 L273 R274 I280	N86-R277 PolarHBondContact OD1-NH1 2.96Å; N86-R277 VanDerWaalsContact OD1-NH1 3.16Å; N86-R277 PolarHBondContact OD1-NH2 3.34Å; S88-R277 PolarHBondContact OG-NH1 2.9Å; S88-R277 VanDerWaalsContact OG-NH1 3.11Å; V90-R277 HydrophobicContact CG2-CB 4.4Å; A237-R277 PolarHBondContact O-NH2 3.38Å; G238-R277 PolarHBondContact O-NE 3.08Å; I239-R277 HydrophobicContact CG2-CG 4.22Å; L273-R277 PolarHBondContact O-N 3.26Å; L273-R277 VanDerWaalsContact O-N 3.15Å; R274-R277 WeakPolarHBondContact CA-O 3.49Å; R277-I280 HydrophobicContact CB-CD1 4.35Å; R277-I280 HydrophobicContact CB-CG1 4.34Å; R277-I280 VanDerWaalsContact O-CG1 3.3Å; R277-I280 WeakPolarHBondContact O-CG1 3.13Å
278	M	97.6	Very high	97.4	Very high	45 Å²	45	26 Å²	26	22%	0.222	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	156.1	178.9	65.5	177.4	60.5	0	0	112.5	V49 S67 F69 I239 I280	V49-M278 HydrophobicContact CG1-CE 3.73Å; S67-M278 PolarHBondContact N-SD 2.72Å; S67-M278 WeakPolarHBondContact O-CE 3.37Å; S67-M278 VanDerWaalsContact O-CG 3.32Å; S67-M278 WeakPolarHBondContact O-CG 3.49Å; S67-M278 VanDerWaalsContact O-SD 3.39Å; F69-M278 HydrophobicContact CD1-CE 4.33Å; F69-M278 HydrophobicContact CE1-CB 4.25Å; F69-M278 HydrophobicContact CE1-CE 3.85Å; F69-M278 HydrophobicContact CE2-CB 4.4Å; F69-M278 HydrophobicContact CZ-CB 3.78Å; F69-M278 HydrophobicContact CZ-CE 4.5Å; I239-M278 VanDerWaalsContact CG2-O 3.24Å; I239-M278 WeakPolarHBondContact CG2-O 3.4Å; M278-I280 PolarHBondContact O-N 3.36Å
279	G	96.5	Very high	97.5	Very high	15 Å²	15	23.4 Å²	23.4	16%	0.155	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	10.8	166.6	0	0	0	0	0	116.1	I281 Q282	G279-I281 PolarHBondContact O-N 3Å; G279-Q282 PolarHBondContact O-NE2 3.25Å
280	I	98	Very high	97.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.116	C	C	.	.			trans	-51	126.3	173.6	-68.2	-70	0	0	0	109.4	L102 I239 F270 L273 R274 R277 M278	L102-I280 HydrophobicContact CD2-CD1 3.43Å; L102-I280 VanDerWaalsContact CD2-CD1 3.43Å; I239-I280 WeakPolarHBondContact O-CA 3.48Å; F270-I280 WeakPolarHBondContact CE2-O 3.14Å; L273-I280 HydrophobicContact CB-CB 4.47Å; L273-I280 HydrophobicContact CB-CG1 4.38Å; L273-I280 HydrophobicContact CB-CG2 3.92Å; L273-I280 HydrophobicContact CD1-CG2 4.21Å; R274-I280 HydrophobicContact CG-CB 3.8Å; R274-I280 HydrophobicContact CG-CG1 4.46Å; R274-I280 VanDerWaalsContact CZ-O 3.31Å; R274-I280 PolarHBondContact NE-O 2.94Å; R274-I280 PolarHBondContact NH2-O 3.28Å; R277-I280 HydrophobicContact CB-CD1 4.35Å; R277-I280 HydrophobicContact CB-CG1 4.34Å; R277-I280 VanDerWaalsContact O-CG1 3.3Å; R277-I280 WeakPolarHBondContact O-CG1 3.13Å; M278-I280 PolarHBondContact O-N 3.36Å
281	I	97.7	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	60.9	113.4	-171.7	-64	165.7	0	0	0	111.5	Y33 I239 L247 F270 R274 G279 Q286 L287	Y33-I281 HydrophobicContact CE2-CG2 4.2Å; Y33-I281 WeakPolarHBondContact CE2-O 3.39Å; Y33-I281 PolarHBondContact OH-O 3.24Å; I239-I281 PolarHBondContact O-N 3.42Å; L247-I281 HydrophobicContact CB-CD1 4.26Å; L247-I281 HydrophobicContact CD1-CD1 3.45Å; L247-I281 VanDerWaalsContact CD1-CD1 3.45Å; L247-I281 HydrophobicContact CG-CD1 4.43Å; F270-I281 HydrophobicContact CD2-CB 4.07Å; F270-I281 HydrophobicContact CD2-CD1 3.91Å; F270-I281 HydrophobicContact CD2-CG2 4.41Å; F270-I281 HydrophobicContact CE2-CB 3.76Å; F270-I281 HydrophobicContact CE2-CD1 4.48Å; F270-I281 HydrophobicContact CE2-CG2 3.99Å; R274-I281 PolarHBondContact NH2-O 3.42Å; G279-I281 PolarHBondContact O-N 3Å; I281-Q286 HydrophobicContact CG2-CB 3.77Å; I281-L287 HydrophobicContact CG2-CB 4.06Å
282	Q	96.1	Very high	97.3	Very high	63 Å²	63	26.1 Å²	26.1	29%	0.294	13%	0.126	S	C	.	.			trans	-98.1	-17.7	-167.7	-76.7	-75.8	-66.1	0	0	114.1	Y33 F202 I239 G279	Y33-Q282 WeakPolarHBondContact OH-CA 3.47Å; Y33-Q282 PolarHBondContact OH-O 3.05Å; Y33-Q282 VanDerWaalsContact OH-O 3.07Å; F202-Q282 HydrophobicContact CD1-CB 4.48Å; I239-Q282 HydrophobicContact CD1-CG 4.12Å; I239-Q282 VanDerWaalsContact CD1-NE2 3.28Å; I239-Q282 HydrophobicContact CG1-CG 3.93Å; G279-Q282 PolarHBondContact O-NE2 3.25Å
283	T	96.3	Very high	97.3	Very high	31 Å²	31	24.7 Å²	24.7	19%	0.19	12%	0.119	C	C	.	.	S	Bend	trans	-135.3	156.3	-177.5	67.5	0	0	0	0	111.8	F202 D285 Q286 L287	F202-T283 HydrophobicContact CB-CG2 4.48Å; F202-T283 HydrophobicContact CD1-CG2 4.38Å; T283-D285 PolarHBondContact O-N 3.39Å; T283-Q286 PolarHBondContact O-N 3.29Å; T283-Q286 WeakPolarHBondContact OG1-CB 3.27Å; T283-Q286 VanDerWaalsContact OG1-CG 3.31Å; T283-Q286 WeakPolarHBondContact OG1-CG 3.42Å; T283-Q286 PolarHBondContact OG1-N 3.48Å; T283-Q286 VanDerWaalsContact OG1-N 3.12Å; T283-L287 PolarHBondContact O-N 3.39Å
284	A	97.2	Very high	97.3	Very high	5 Å²	5	24.7 Å²	24.7	4%	0.041	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-34.3	173.1	0	0	0	0	0	111.8	W29 N30 Y33 L287 R288	W29-A284 HydrophobicContact CB-CB 4.14Å; N30-A284 VanDerWaalsContact OD1-CB 3.24Å; N30-A284 WeakPolarHBondContact OD1-CB 3.14Å; Y33-A284 HydrophobicContact CG-CB 4.19Å; A284-L287 WeakPolarHBondContact O-CB 3.49Å; A284-L287 PolarHBondContact O-N 2.86Å; A284-R288 WeakPolarHBondContact O-CB 3.23Å; A284-R288 PolarHBondContact O-N 3.42Å
285	D	96.2	Very high	97.2	Very high	101 Å²	101	25.2 Å²	25.2	54%	0.54	12%	0.122	S	C	.	.	H	α-helix	trans	-66.6	-38.2	175.7	-70	-30.4	0	0	0	112.6	I204 T283 L287 R288 F289	I204-D285 HydrophobicContact CG2-CB 4.3Å; T283-D285 PolarHBondContact O-N 3.39Å; D285-L287 VanDerWaalsContact C-N 3.31Å; D285-L287 PolarHBondContact O-N 2.97Å; D285-R288 PolarHBondContact O-N 3.38Å; D285-F289 WeakPolarHBondContact O-CB 3.45Å; D285-F289 PolarHBondContact O-N 3Å
286	Q	96.9	Very high	97	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-38.4	172.3	-77.4	172.8	2.5	0	0	111.7	G203 I204 I281 T283 F289 C290	G203-Q286 PolarHBondContact O-NE2 3.22Å; I204-Q286 HydrophobicContact CG2-CG 4.25Å; I281-Q286 HydrophobicContact CG2-CB 3.77Å; T283-Q286 PolarHBondContact O-N 3.29Å; T283-Q286 WeakPolarHBondContact OG1-CB 3.27Å; T283-Q286 VanDerWaalsContact OG1-CG 3.31Å; T283-Q286 WeakPolarHBondContact OG1-CG 3.42Å; T283-Q286 PolarHBondContact OG1-N 3.48Å; T283-Q286 VanDerWaalsContact OG1-N 3.12Å; Q286-F289 PolarHBondContact O-N 3.05Å; Q286-C290 PolarHBondContact O-N 3.45Å; Q286-C290 PolarHBondContact O-SG 2.72Å
287	L	97.9	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.8	-48.9	174.7	-179.6	61.6	0	0	0	111.1	W29 I32 Y33 L36 I266 F270 I281 T283 A284 D285 F289 C290 Y291	W29-L287 HydrophobicContact CE3-CG 4.48Å; W29-L287 HydrophobicContact CZ3-CD2 4.45Å; W29-L287 HydrophobicContact CZ3-CG 4.13Å; I32-L287 HydrophobicContact CG2-CD2 4.47Å; Y33-L287 HydrophobicContact CD2-CB 4.47Å; Y33-L287 HydrophobicContact CD2-CD2 4.38Å; L36-L287 HydrophobicContact CD1-CD2 3.8Å; I266-L287 HydrophobicContact CG2-CD1 4.15Å; F270-L287 HydrophobicContact CD2-CD1 4.1Å; I281-L287 HydrophobicContact CG2-CB 4.06Å; T283-L287 PolarHBondContact O-N 3.39Å; A284-L287 WeakPolarHBondContact O-CB 3.49Å; A284-L287 PolarHBondContact O-N 2.86Å; D285-L287 VanDerWaalsContact C-N 3.31Å; D285-L287 PolarHBondContact O-N 2.97Å; L287-F289 PolarHBondContact O-N 2.88Å; L287-C290 VanDerWaalsContact O-CB 3.29Å; L287-C290 WeakPolarHBondContact O-CB 3.41Å; L287-C290 PolarHBondContact O-N 2.85Å; L287-C290 VanDerWaalsContact O-N 3.09Å; L287-Y291 HydrophobicContact CD1-CD2 4.45Å; L287-Y291 HydrophobicContact CD1-CE2 4.14Å; L287-Y291 HydrophobicContact CG-CE2 4.34Å; L287-Y291 WeakPolarHBondContact O-CD2 3.42Å; L287-Y291 PolarHBondContact O-N 2.73Å
288	R	97.1	Very high	96.8	Very high	80 Å²	80	22 Å²	22	30%	0.302	11%	0.107	S	C	.	.	H	α-helix	trans	-56.5	-40.3	174.7	-177.3	174.3	-172.6	-101.7	-8.3	111.9	D24 W29 A284 D285 C290 Y291 R292	D24-R288 VanDerWaalsContact CG-NH2 3.29Å; D24-R288 IonicContact OD1-CZ 3.32Å; D24-R288 IonicContact OD1-NE 2.72Å; D24-R288 PolarHBondContact OD1-NE 3.46Å; D24-R288 IonicContact OD1-NH2 3.11Å; D24-R288 PolarHBondContact OD1-NH2 3.06Å; D24-R288 VanDerWaalsContact OD1-NH2 3.11Å; D24-R288 IonicContact OD2-CZ 3.72Å; D24-R288 IonicContact OD2-NE 3.72Å; D24-R288 IonicContact OD2-NH2 2.85Å; D24-R288 PolarHBondContact OD2-NH2 3.46Å; W29-R288 HydrophobicContact CD2-CB 3.71Å; W29-R288 HydrophobicContact CD2-CG 3.97Å; W29-R288 HydrophobicContact CE3-CB 3.78Å; W29-R288 HydrophobicContact CE3-CG 4.42Å; W29-R288 HydrophobicContact CG-CB 4.34Å; W29-R288 HydrophobicContact CH2-CB 4.05Å; W29-R288 HydrophobicContact CH2-CG 4.12Å; W29-R288 HydrophobicContact CZ2-CB 3.99Å; W29-R288 HydrophobicContact CZ2-CG 3.62Å; W29-R288 HydrophobicContact CZ3-CB 3.95Å; W29-R288 HydrophobicContact CZ3-CG 4.49Å; A284-R288 WeakPolarHBondContact O-CB 3.23Å; A284-R288 PolarHBondContact O-N 3.42Å; D285-R288 PolarHBondContact O-N 3.38Å; R288-C290 PolarHBondContact O-N 2.99Å; R288-Y291 WeakPolarHBondContact O-CB 3.49Å; R288-Y291 PolarHBondContact O-N 3.38Å; R288-R292 PolarHBondContact O-N 2.86Å
289	F	96.8	Very high	96.7	Very high	3 Å²	3	24 Å²	24	1%	0.013	12%	0.119	C	C	.	.	H	α-helix	trans	-64.1	-38.1	176.8	-176.3	-92.5	0	0	0	112.5	I204 P205 P208 I211 T244 I248 D285 Q286 L287 R292 T293	I204-F289 HydrophobicContact CB-CB 4.23Å; I204-F289 HydrophobicContact CB-CD2 3.77Å; I204-F289 HydrophobicContact CB-CE2 4.32Å; I204-F289 HydrophobicContact CB-CG 3.99Å; I204-F289 HydrophobicContact CD1-CD2 3.81Å; I204-F289 HydrophobicContact CD1-CE2 4.48Å; I204-F289 HydrophobicContact CG1-CD2 4.31Å; I204-F289 HydrophobicContact CG2-CB 3.67Å; I204-F289 HydrophobicContact CG2-CD2 4.18Å; I204-F289 HydrophobicContact CG2-CG 3.97Å; P205-F289 HydrophobicContact CB-CE1 4.45Å; P205-F289 HydrophobicContact CB-CE2 4.32Å; P205-F289 HydrophobicContact CB-CZ 3.8Å; P205-F289 VanDerWaalsContact CD-CE1 3.5Å; P205-F289 VanDerWaalsContact CD-CZ 3.42Å; P205-F289 HydrophobicContact CG-CE1 3.68Å; P205-F289 HydrophobicContact CG-CE2 4.3Å; P205-F289 HydrophobicContact CG-CZ 3.53Å; P205-F289 WeakPolarHBondContact O-CE2 3.49Å; P208-F289 HydrophobicContact CG-CE2 3.79Å; P208-F289 HydrophobicContact CG-CZ 4.23Å; I211-F289 HydrophobicContact CG2-CE1 3.9Å; I211-F289 HydrophobicContact CG2-CZ 3.76Å; T244-F289 HydrophobicContact CG2-CD1 3.93Å; T244-F289 HydrophobicContact CG2-CE1 4.44Å; I248-F289 HydrophobicContact CD1-CD1 4.37Å; I248-F289 HydrophobicContact CD1-CE1 4.18Å; D285-F289 WeakPolarHBondContact O-CB 3.45Å; D285-F289 PolarHBondContact O-N 3Å; Q286-F289 PolarHBondContact O-N 3.05Å; L287-F289 PolarHBondContact O-N 2.88Å; F289-R292 PolarHBondContact O-N 2.99Å; F289-T293 VanDerWaalsContact CE1-OG1 3.23Å; F289-T293 WeakPolarHBondContact CE1-OG1 3.46Å; F289-T293 WeakPolarHBondContact CZ-OG1 3.35Å; F289-T293 VanDerWaalsContact O-CB 3.25Å; F289-T293 WeakPolarHBondContact O-CB 3.1Å; F289-T293 PolarHBondContact O-N 3.12Å; F289-T293 PolarHBondContact O-OG1 3.17Å
290	C	97.9	Very high	96.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.8	-50	171	-68.3	0	0	0	0	111.2	L247 I248 Q286 L287 R288 T293 V294	L247-C290 HydrophobicContact CD2-CB 3.66Å; I248-C290 HydrophobicContact CG1-CB 4.48Å; Q286-C290 PolarHBondContact O-N 3.45Å; Q286-C290 PolarHBondContact O-SG 2.72Å; L287-C290 VanDerWaalsContact O-CB 3.29Å; L287-C290 WeakPolarHBondContact O-CB 3.41Å; L287-C290 PolarHBondContact O-N 2.85Å; L287-C290 VanDerWaalsContact O-N 3.09Å; R288-C290 PolarHBondContact O-N 2.99Å; C290-T293 PolarHBondContact O-N 3Å; C290-V294 WeakPolarHBondContact O-CB 3.33Å; C290-V294 VanDerWaalsContact O-CG2 3.23Å; C290-V294 WeakPolarHBondContact O-CG2 3.49Å; C290-V294 PolarHBondContact O-N 3.07Å
291	Y	97.4	Very high	96.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.5	-53.7	177.7	-85.8	-101.4	0	0	0	111.6	V16 E19 M20 W29 I266 K267 L287 R288 T293 V294 I295	V16-Y291 HydrophobicContact CG1-CD1 3.47Å; V16-Y291 VanDerWaalsContact CG1-CD1 3.47Å; V16-Y291 HydrophobicContact CG1-CE1 3.8Å; V16-Y291 HydrophobicContact CG1-CG 4.41Å; E19-Y291 HydrophobicContact CB-CE1 4.32Å; E19-Y291 HydrophobicContact CG-CE1 4.01Å; E19-Y291 PolarHBondContact OE1-OH 2.96Å; E19-Y291 VanDerWaalsContact OE2-CE1 3.28Å; E19-Y291 WeakPolarHBondContact OE2-CE1 3.23Å; E19-Y291 PolarHBondContact OE2-OH 2.9Å; M20-Y291 HydrophobicContact CB-CD1 3.92Å; M20-Y291 HydrophobicContact CB-CG 4.48Å; M20-Y291 HydrophobicContact CG-CD1 4.48Å; W29-Y291 HydrophobicContact CH2-CD1 4.33Å; W29-Y291 AromaticContact CH2-CD2 3.65Å; W29-Y291 HydrophobicContact CH2-CD2 3.65Å; W29-Y291 HydrophobicContact CH2-CE2 4.15Å; W29-Y291 AromaticContact CH2-CG 3.76Å; W29-Y291 HydrophobicContact CH2-CG 3.76Å; W29-Y291 AromaticContact CZ3-CD2 3.8Å; W29-Y291 HydrophobicContact CZ3-CD2 3.8Å; W29-Y291 HydrophobicContact CZ3-CE2 4.04Å; W29-Y291 HydrophobicContact CZ3-CG 4.38Å; I266-Y291 HydrophobicContact CB-CD2 4.19Å; I266-Y291 HydrophobicContact CB-CE1 4.17Å; I266-Y291 HydrophobicContact CB-CE2 3.61Å; I266-Y291 HydrophobicContact CG1-CD1 4.4Å; I266-Y291 HydrophobicContact CG1-CD2 4.44Å; I266-Y291 HydrophobicContact CG1-CE1 4.22Å; I266-Y291 HydrophobicContact CG1-CE2 4.26Å; I266-Y291 HydrophobicContact CG2-CD2 3.68Å; I266-Y291 HydrophobicContact CG2-CE2 3.3Å; K267-Y291 WeakPolarHBondContact CG-OH 3.44Å; L287-Y291 HydrophobicContact CD1-CD2 4.45Å; L287-Y291 HydrophobicContact CD1-CE2 4.14Å; L287-Y291 HydrophobicContact CG-CE2 4.34Å; L287-Y291 WeakPolarHBondContact O-CD2 3.42Å; L287-Y291 PolarHBondContact O-N 2.73Å; R288-Y291 WeakPolarHBondContact O-CB 3.49Å; R288-Y291 PolarHBondContact O-N 3.38Å; Y291-T293 VanDerWaalsContact C-N 3.32Å; Y291-T293 PolarHBondContact O-N 2.76Å; Y291-V294 PolarHBondContact O-N 3.15Å; Y291-I295 VanDerWaalsContact O-CG1 3.3Å; Y291-I295 WeakPolarHBondContact O-CG1 3.02Å; Y291-I295 PolarHBondContact O-N 2.91Å
292	R	95.6	Very high	96.3	Very high	69 Å²	69	28.2 Å²	28.2	26%	0.26	14%	0.139	S	C	.	.	H	α-helix	trans	-57	-46.1	-179.1	-172	173.2	66.1	172.9	2	111.9	M20 R288 F289 I295 K296	M20-R292 HydrophobicContact CE-CB 3.83Å; M20-R292 HydrophobicContact CE-CG 4.27Å; M20-R292 HydrophobicContact SD-CB 4.36Å; R288-R292 PolarHBondContact O-N 2.86Å; F289-R292 PolarHBondContact O-N 2.99Å; R292-I295 PolarHBondContact O-N 3.31Å; R292-K296 WeakPolarHBondContact O-CB 3.46Å; R292-K296 PolarHBondContact O-N 2.78Å
293	T	97.1	Very high	96.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68.6	-41.5	-177.1	-55.1	0	0	0	0	111.8	P208 I211 L212 I248 F289 C290 Y291 A297	P208-T293 HydrophobicContact CB-CG2 4.33Å; I211-T293 HydrophobicContact CG2-CG2 4.09Å; L212-T293 HydrophobicContact CD1-CG2 3.94Å; L212-T293 HydrophobicContact CD2-CG2 3.71Å; L212-T293 HydrophobicContact CG-CG2 3.64Å; I248-T293 HydrophobicContact CD1-CG2 3.92Å; I248-T293 HydrophobicContact CG1-CG2 4.4Å; I248-T293 HydrophobicContact CG2-CG2 4.07Å; F289-T293 VanDerWaalsContact CE1-OG1 3.23Å; F289-T293 WeakPolarHBondContact CE1-OG1 3.46Å; F289-T293 WeakPolarHBondContact CZ-OG1 3.35Å; F289-T293 VanDerWaalsContact O-CB 3.25Å; F289-T293 WeakPolarHBondContact O-CB 3.1Å; F289-T293 PolarHBondContact O-N 3.12Å; F289-T293 PolarHBondContact O-OG1 3.17Å; C290-T293 PolarHBondContact O-N 3Å; Y291-T293 VanDerWaalsContact C-N 3.32Å; Y291-T293 PolarHBondContact O-N 2.76Å; T293-A297 VanDerWaalsContact O-CB 3.3Å; T293-A297 WeakPolarHBondContact O-CB 3.28Å; T293-A297 PolarHBondContact O-N 3.23Å
294	V	97.6	Very high	96	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-43.6	176.9	170.6	0	0	0	0	111.1	I248 A251 I255 I266 C290 Y291 A297 A298	I248-V294 HydrophobicContact CG1-CG2 4.44Å; A251-V294 HydrophobicContact CB-CG1 4.07Å; A251-V294 HydrophobicContact CB-CG2 3.59Å; I255-V294 HydrophobicContact CD1-CG1 3.72Å; I266-V294 HydrophobicContact CD1-CB 4.37Å; I266-V294 HydrophobicContact CD1-CG1 4.27Å; I266-V294 HydrophobicContact CD1-CG2 4.03Å; C290-V294 WeakPolarHBondContact O-CB 3.33Å; C290-V294 VanDerWaalsContact O-CG2 3.23Å; C290-V294 WeakPolarHBondContact O-CG2 3.49Å; C290-V294 PolarHBondContact O-N 3.07Å; Y291-V294 PolarHBondContact O-N 3.15Å; V294-A297 PolarHBondContact O-N 2.89Å; V294-A298 VanDerWaalsContact O-CB 3.28Å; V294-A298 WeakPolarHBondContact O-CB 3.48Å; V294-A298 PolarHBondContact O-N 3.22Å
295	I	96	Very high	95.8	Very high	22 Å²	22	31.6 Å²	31.6	11%	0.113	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-50.8	177.6	-69.3	164.2	0	0	0	110.7	V16 R17 M20 I261 Y291 R292 A297 A298 D299	V16-I295 HydrophobicContact CG1-CD1 4.1Å; V16-I295 HydrophobicContact CG1-CG1 3.94Å; R17-I295 HydrophobicContact CG-CD1 4.11Å; R17-I295 HydrophobicContact CG-CG1 4.06Å; R17-I295 HydrophobicContact CG-CG2 4.08Å; M20-I295 HydrophobicContact CB-CD1 4.03Å; M20-I295 HydrophobicContact CG-CD1 4.4Å; M20-I295 HydrophobicContact SD-CD1 3.52Å; M20-I295 VanDerWaalsContact SD-CD1 3.52Å; I261-I295 HydrophobicContact CD1-CG1 4.11Å; Y291-I295 VanDerWaalsContact O-CG1 3.3Å; Y291-I295 WeakPolarHBondContact O-CG1 3.02Å; Y291-I295 PolarHBondContact O-N 2.91Å; R292-I295 PolarHBondContact O-N 3.31Å; I295-A297 VanDerWaalsContact C-N 3.31Å; I295-A297 PolarHBondContact O-N 2.71Å; I295-A298 WeakPolarHBondContact O-CB 3.38Å; I295-A298 PolarHBondContact O-N 3.1Å; I295-A298 VanDerWaalsContact O-N 3.12Å; I295-D299 PolarHBondContact O-N 3.22Å
296	K	95.2	Very high	95.6	Very high	24 Å²	24	31.3 Å²	31.3	10%	0.104	18%	0.18	C	C	.	.	H	α-helix	trans	-56.1	-46.1	178.5	179.4	179.2	177.3	69.3	0	112.1	P208 S209 R292 D299 T300 E315 D317 E320	P208-K296 HydrophobicContact CB-CD 3.88Å; S209-K296 WeakPolarHBondContact OG-CE 3.25Å; R292-K296 WeakPolarHBondContact O-CB 3.46Å; R292-K296 PolarHBondContact O-N 2.78Å; K296-D299 PolarHBondContact O-N 3.44Å; K296-T300 PolarHBondContact O-N 3.27Å; K296-T300 PolarHBondContact O-OG1 2.81Å; K296-E315 PolarHBondContact NZ-O 3.21Å; K296-D317 IonicContact NZ-OD1 3.4Å; K296-D317 PolarHBondContact NZ-OD1 3.33Å; K296-D317 IonicContact NZ-OD2 3.49Å; K296-D317 PolarHBondContact NZ-OD2 3.16Å; K296-E320 WeakPolarHBondContact CE-OE1 3.38Å; K296-E320 IonicContact NZ-OE1 2.75Å
297	A	96.7	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-41.2	178.3	0	0	0	0	0	111.8	L212 L252 T293 V294 I295 D299 T300 L301 F314	L212-A297 HydrophobicContact CD1-CB 3.88Å; L212-A297 HydrophobicContact CD2-CB 3.68Å; L212-A297 HydrophobicContact CG-CB 4.46Å; L252-A297 HydrophobicContact CD1-CB 4.44Å; L252-A297 HydrophobicContact CD2-CB 3.41Å; L252-A297 VanDerWaalsContact CD2-CB 3.41Å; T293-A297 VanDerWaalsContact O-CB 3.3Å; T293-A297 WeakPolarHBondContact O-CB 3.28Å; T293-A297 PolarHBondContact O-N 3.23Å; V294-A297 PolarHBondContact O-N 2.89Å; I295-A297 VanDerWaalsContact C-N 3.31Å; I295-A297 PolarHBondContact O-N 2.71Å; A297-D299 PolarHBondContact O-N 2.83Å; A297-T300 PolarHBondContact O-N 3.43Å; A297-L301 WeakPolarHBondContact O-CB 3.5Å; A297-L301 WeakPolarHBondContact O-CG 3.47Å; A297-L301 PolarHBondContact O-N 2.95Å; A297-F314 HydrophobicContact CB-CE1 4.02Å; A297-F314 HydrophobicContact CB-CZ 4.39Å
298	A	96	Very high	95.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-45.9	176.2	0	0	0	0	0	112.2	I255 I261 V294 I295 T300 L301 L302	I255-A298 HydrophobicContact CD1-CB 3.64Å; I255-A298 HydrophobicContact CG2-CB 4.48Å; I261-A298 HydrophobicContact CB-CB 4.2Å; I261-A298 HydrophobicContact CD1-CB 3.7Å; I261-A298 HydrophobicContact CG1-CB 4.14Å; V294-A298 VanDerWaalsContact O-CB 3.28Å; V294-A298 WeakPolarHBondContact O-CB 3.48Å; V294-A298 PolarHBondContact O-N 3.22Å; I295-A298 WeakPolarHBondContact O-CB 3.38Å; I295-A298 PolarHBondContact O-N 3.1Å; I295-A298 VanDerWaalsContact O-N 3.12Å; A298-T300 PolarHBondContact O-N 2.88Å; A298-L301 PolarHBondContact O-N 2.89Å; A298-L302 HydrophobicContact CB-CD1 4.3Å; A298-L302 VanDerWaalsContact O-CB 3.24Å; A298-L302 WeakPolarHBondContact O-CB 3.27Å; A298-L302 VanDerWaalsContact O-CG 3.23Å; A298-L302 WeakPolarHBondContact O-CG 3.43Å; A298-L302 PolarHBondContact O-N 3.45Å
299	D	93.9	Very high	95	Very high	89 Å²	89	39.8 Å²	39.8	48%	0.476	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-37.6	178.4	-68.7	-21.3	0	0	0	111.3	R17 I295 K296 A297	R17-D299 IonicContact CZ-OD1 2.75Å; R17-D299 IonicContact NE-OD1 2.92Å; R17-D299 PolarHBondContact NE-OD1 2.84Å; R17-D299 IonicContact NH2-OD1 2.59Å; R17-D299 PolarHBondContact NH2-OD1 2.93Å; I295-D299 PolarHBondContact O-N 3.22Å; K296-D299 PolarHBondContact O-N 3.44Å; A297-D299 PolarHBondContact O-N 2.83Å
300	T	95	Very high	94.8	Very high	45 Å²	45	43.4 Å²	43.4	28%	0.276	25%	0.251	S	S	.	.	H	α-helix	trans	-73.5	-52.2	176.7	-52.7	0	0	0	0	111.7	K296 A297 A298 G303 M304 V312 F314	K296-T300 PolarHBondContact O-N 3.27Å; K296-T300 PolarHBondContact O-OG1 2.81Å; A297-T300 PolarHBondContact O-N 3.43Å; A298-T300 PolarHBondContact O-N 2.88Å; T300-G303 PolarHBondContact O-N 3.37Å; T300-M304 HydrophobicContact CG2-CE 3.73Å; T300-V312 HydrophobicContact CG2-CG2 3.68Å; T300-F314 HydrophobicContact CG2-CD1 4.12Å; T300-F314 HydrophobicContact CG2-CE1 3.9Å
301	L	95.5	Very high	94.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70.9	-34	-171.9	-67.4	174.7	0	0	0	114	W216 L252 A297 A298 G303 M304 R309 V312 F314	W216-L301 HydrophobicContact CH2-CD1 3.84Å; W216-L301 HydrophobicContact CH2-CD2 4.26Å; W216-L301 HydrophobicContact CH2-CG 4.43Å; W216-L301 HydrophobicContact CZ2-CD1 3.9Å; W216-L301 HydrophobicContact CZ2-CD2 3.61Å; W216-L301 HydrophobicContact CZ2-CG 4.25Å; L252-L301 HydrophobicContact CD2-CD1 4.15Å; A297-L301 WeakPolarHBondContact O-CB 3.5Å; A297-L301 WeakPolarHBondContact O-CG 3.47Å; A297-L301 PolarHBondContact O-N 2.95Å; A298-L301 PolarHBondContact O-N 2.89Å; L301-G303 VanDerWaalsContact C-N 3.27Å; L301-M304 HydrophobicContact CD2-SD 4.14Å; L301-M304 VanDerWaalsContact O-CG 3.29Å; L301-M304 WeakPolarHBondContact O-CG 3.4Å; L301-R309 HydrophobicContact CD2-CB 4.06Å; L301-R309 HydrophobicContact CD2-CG 3.91Å; L301-R309 PolarHBondContact O-NE 3.26Å; L301-R309 PolarHBondContact O-NH2 2.97Å; L301-V312 HydrophobicContact CD2-CG1 4.12Å; L301-F314 HydrophobicContact CD2-CZ 4.35Å
302	L	94.4	Very high	94.4	Very high	59 Å²	59	52.6 Å²	52.6	31%	0.309	29%	0.292	S	S	.	.	H	α-helix	trans	-77.2	-17.9	179.4	-63	175.4	0	0	0	111.9	I255 I261 A298	I255-L302 HydrophobicContact CG2-CD1 4.27Å; I255-L302 HydrophobicContact CG2-CD2 3.91Å; I255-L302 HydrophobicContact CG2-CG 4.15Å; I261-L302 HydrophobicContact CB-CD1 4.32Å; I261-L302 HydrophobicContact CG2-CD1 4.46Å; A298-L302 HydrophobicContact CB-CD1 4.3Å; A298-L302 VanDerWaalsContact O-CB 3.24Å; A298-L302 WeakPolarHBondContact O-CB 3.27Å; A298-L302 VanDerWaalsContact O-CG 3.23Å; A298-L302 WeakPolarHBondContact O-CG 3.43Å; A298-L302 PolarHBondContact O-N 3.45Å
303	G	91.6	Very high	94.3	Very high	72 Å²	72	55.6 Å²	55.6	74%	0.742	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-8.7	174.2	0	0	0	0	0	115.1	T300 L301	T300-G303 PolarHBondContact O-N 3.37Å; L301-G303 VanDerWaalsContact C-N 3.27Å
304	M	93.4	Very high	94.1	Very high	43 Å²	43	55.7 Å²	55.7	21%	0.212	31%	0.308	C	S	.	.	S	Bend	trans	-116.3	160.2	-177.5	61.8	179.4	56.3	0	0	112.8	T300 L301 Q308 R309 V312	T300-M304 HydrophobicContact CG2-CE 3.73Å; L301-M304 HydrophobicContact CD2-SD 4.14Å; L301-M304 VanDerWaalsContact O-CG 3.29Å; L301-M304 WeakPolarHBondContact O-CG 3.4Å; M304-Q308 HydrophobicContact CB-CB 4.43Å; M304-Q308 HydrophobicContact SD-CB 4.44Å; M304-R309 HydrophobicContact CG-CG 3.87Å; M304-R309 HydrophobicContact SD-CB 4.38Å; M304-R309 HydrophobicContact SD-CG 3.85Å; M304-V312 HydrophobicContact CE-CB 3.99Å; M304-V312 HydrophobicContact CE-CG2 3.62Å; M304-V312 HydrophobicContact SD-CB 4.05Å; M304-V312 HydrophobicContact SD-CG2 4.28Å
305	S	93.7	Very high	93.8	Very high	55 Å²	55	61 Å²	61	39%	0.385	33%	0.332	S	S	.	.			trans	-67.6	150.8	173.9	70.9	0	0	0	0	110.8	D307 Q308 R309	S305-D307 PolarHBondContact O-N 3.25Å; S305-Q308 WeakPolarHBondContact O-CB 3.42Å; S305-Q308 PolarHBondContact O-N 2.83Å; S305-Q308 WeakPolarHBondContact OG-CG 3.44Å; S305-Q308 PolarHBondContact OG-OE1 3.12Å; S305-R309 PolarHBondContact O-N 3.21Å
306	V	92.1	Very high	93.4	Very high	94 Å²	94	62.2 Å²	62.2	57%	0.57	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-55.9	-38.8	-178.4	178.1	0	0	0	0	111.4	Q308 R309	V306-Q308 PolarHBondContact O-N 3.26Å; V306-R309 WeakPolarHBondContact O-CB 3.28Å; V306-R309 PolarHBondContact O-N 3.12Å
307	D	93.1	Very high	92.9	Very high	136 Å²	136	65.1 Å²	65.1	73%	0.727	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-66.1	-20.7	-179.8	-55.1	-39.3	0	0	0	113.8	S305	S305-D307 PolarHBondContact O-N 3.25Å
308	Q	93.2	Very high	91.9	Very high	114 Å²	114	71.6 Å²	71.6	53%	0.533	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-88.7	-22.8	179.1	-70.7	174.9	-25.3	0	0	112.9	M304 S305 V306 P310 F311 V312	M304-Q308 HydrophobicContact CB-CB 4.43Å; M304-Q308 HydrophobicContact SD-CB 4.44Å; S305-Q308 WeakPolarHBondContact O-CB 3.42Å; S305-Q308 PolarHBondContact O-N 2.83Å; S305-Q308 WeakPolarHBondContact OG-CG 3.44Å; S305-Q308 PolarHBondContact OG-OE1 3.12Å; V306-Q308 PolarHBondContact O-N 3.26Å; Q308-P310 VanDerWaalsContact C-CD 3.44Å; Q308-F311 PolarHBondContact O-N 3.1Å; Q308-V312 PolarHBondContact O-N 3.08Å
309	R	93.4	Very high	90.9	Very high	11 Å²	11	78.4 Å²	78.4	4%	0.042	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-55.9	-37.6	-175.4	-65.7	-178.4	179.3	167.8	3.5	114.7	W216 N259 L301 M304 S305 V306 F311 V312	W216-R309 PolarHBondContact NE1-O 3.29Å; N259-R309 PolarHBondContact OD1-NH2 3.15Å; L301-R309 HydrophobicContact CD2-CB 4.06Å; L301-R309 HydrophobicContact CD2-CG 3.91Å; L301-R309 PolarHBondContact O-NE 3.26Å; L301-R309 PolarHBondContact O-NH2 2.97Å; M304-R309 HydrophobicContact CG-CG 3.87Å; M304-R309 HydrophobicContact SD-CB 4.38Å; M304-R309 HydrophobicContact SD-CG 3.85Å; S305-R309 PolarHBondContact O-N 3.21Å; V306-R309 WeakPolarHBondContact O-CB 3.28Å; V306-R309 PolarHBondContact O-N 3.12Å; R309-F311 PolarHBondContact O-N 3.24Å; R309-V312 VanDerWaalsContact O-CG1 3.24Å; R309-V312 WeakPolarHBondContact O-CG1 3.39Å; R309-V312 PolarHBondContact O-N 2.86Å
310	P	91.8	Very high	90	Very high	79 Å²	79	74.6 Å²	74.6	51%	0.513	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-64.3	-19.9	177.3	-24.7	36.3	0	0	0	114.3	Q308	Q308-P310 VanDerWaalsContact C-CD 3.44Å
311	F	93.1	Very high	88.5	Confident	175 Å²	175	78.3 Å²	78.3	77%	0.768	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-110.3	6.9	-173.8	-50.8	-73.6	0	0	0	113.4	Q308 R309	Q308-F311 PolarHBondContact O-N 3.1Å; R309-F311 PolarHBondContact O-N 3.24Å
312	V	94.1	Very high	86.6	Confident	18 Å²	18	83.6 Å²	83.6	11%	0.109	45%	0.445	C	S	.	.			trans	-60.4	143	178.1	64.4	0	0	0	0	111	W216 T300 L301 M304 Q308 R309 F314	W216-V312 HydrophobicContact CD2-CG1 4.02Å; W216-V312 HydrophobicContact CG-CG1 4.13Å; W216-V312 HydrophobicContact CZ2-CG1 3.83Å; T300-V312 HydrophobicContact CG2-CG2 3.68Å; L301-V312 HydrophobicContact CD2-CG1 4.12Å; M304-V312 HydrophobicContact CE-CB 3.99Å; M304-V312 HydrophobicContact CE-CG2 3.62Å; M304-V312 HydrophobicContact SD-CB 4.05Å; M304-V312 HydrophobicContact SD-CG2 4.28Å; Q308-V312 PolarHBondContact O-N 3.08Å; R309-V312 VanDerWaalsContact O-CG1 3.24Å; R309-V312 WeakPolarHBondContact O-CG1 3.39Å; R309-V312 PolarHBondContact O-N 2.86Å; V312-F314 HydrophobicContact CG1-CD2 4.37Å; V312-F314 HydrophobicContact CG1-CE2 3.52Å; V312-F314 HydrophobicContact CG1-CZ 3.65Å; V312-F314 HydrophobicContact CG2-CD1 4.49Å; V312-F314 HydrophobicContact CG2-CD2 4.45Å; V312-F314 HydrophobicContact CG2-CE1 4.18Å; V312-F314 HydrophobicContact CG2-CE2 4.15Å; V312-F314 HydrophobicContact CG2-CZ 4Å
313	K	93.5	Very high	84.8	Confident	132 Å²	132	85.5 Å²	85.5	57%	0.574	46%	0.456	S	S	*	.			trans	-120.1	122.6	166.1	-176.6	172	170	-94.7	0	107.5	E315	K313-E315 IonicContact NZ-OE1 3.84Å; K313-E315 PolarHBondContact NZ-OE1 2.82Å; K313-E315 IonicContact NZ-OE2 2.72Å; K313-E315 PolarHBondContact NZ-OE2 3.05Å
314	F	93.7	Very high	82.8	Confident	2 Å²	2	86.9 Å²	86.9	1%	0.009	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-82.3	119.3	178.1	-61.2	-87.2	0	0	0	108.6	S209 L212 N213 W216 A297 T300 L301 V312	S209-F314 WeakPolarHBondContact CB-O 3.22Å; L212-F314 HydrophobicContact CB-CB 4.25Å; L212-F314 HydrophobicContact CB-CD1 4.37Å; L212-F314 HydrophobicContact CB-CD2 3.42Å; L212-F314 VanDerWaalsContact CB-CD2 3.42Å; L212-F314 HydrophobicContact CB-CE2 3.81Å; L212-F314 HydrophobicContact CB-CG 3.73Å; L212-F314 HydrophobicContact CB-CZ 4.43Å; L212-F314 HydrophobicContact CD1-CB 4.39Å; L212-F314 HydrophobicContact CD1-CD1 3.75Å; L212-F314 HydrophobicContact CD1-CD2 4.33Å; L212-F314 HydrophobicContact CD1-CE1 4.1Å; L212-F314 HydrophobicContact CD1-CG 3.87Å; L212-F314 HydrophobicContact CG-CD2 4.42Å; L212-F314 HydrophobicContact CG-CG 4.43Å; N213-F314 PolarHBondContact ND2-O 2.97Å; N213-F314 PolarHBondContact OD1-N 2.83Å; W216-F314 AromaticContact CD2-CE2 3.58Å; W216-F314 HydrophobicContact CD2-CE2 3.58Å; W216-F314 HydrophobicContact CD2-CZ 4.23Å; W216-F314 AromaticContact CE2-CE2 3.82Å; W216-F314 HydrophobicContact CE3-CD2 4.38Å; W216-F314 AromaticContact CE3-CE2 3.41Å; W216-F314 HydrophobicContact CE3-CE2 3.41Å; W216-F314 VanDerWaalsContact CE3-CE2 3.41Å; W216-F314 HydrophobicContact CE3-CZ 4.02Å; W216-F314 HydrophobicContact CG-CE2 4.33Å; W216-F314 AromaticContact CH2-CE2 3.66Å; W216-F314 HydrophobicContact CH2-CE2 3.66Å; W216-F314 AromaticContact CH2-CZ 3.34Å; W216-F314 HydrophobicContact CH2-CZ 3.34Å; W216-F314 AromaticContact CZ2-CE2 3.89Å; W216-F314 HydrophobicContact CZ2-CE2 3.89Å; W216-F314 AromaticContact CZ2-CZ 3.65Å; W216-F314 HydrophobicContact CZ2-CZ 3.65Å; W216-F314 AromaticContact CZ3-CE2 3.42Å; W216-F314 HydrophobicContact CZ3-CE2 3.42Å; W216-F314 VanDerWaalsContact CZ3-CE2 3.42Å; W216-F314 AromaticContact CZ3-CZ 3.55Å; W216-F314 HydrophobicContact CZ3-CZ 3.55Å; A297-F314 HydrophobicContact CB-CE1 4.02Å; A297-F314 HydrophobicContact CB-CZ 4.39Å; T300-F314 HydrophobicContact CG2-CD1 4.12Å; T300-F314 HydrophobicContact CG2-CE1 3.9Å; L301-F314 HydrophobicContact CD2-CZ 4.35Å; V312-F314 HydrophobicContact CG1-CD2 4.37Å; V312-F314 HydrophobicContact CG1-CE2 3.52Å; V312-F314 HydrophobicContact CG1-CZ 3.65Å; V312-F314 HydrophobicContact CG2-CD1 4.49Å; V312-F314 HydrophobicContact CG2-CD2 4.45Å; V312-F314 HydrophobicContact CG2-CE1 4.18Å; V312-F314 HydrophobicContact CG2-CE2 4.15Å; V312-F314 HydrophobicContact CG2-CZ 4Å
315	E	91.2	Very high	80.2	Confident	110 Å²	110	89.5 Å²	89.5	51%	0.514	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-84.4	140.2	176.1	-62	-58.2	154.1	0	0	109.9	S209 K296 K313	S209-E315 PolarHBondContact OG-O 3.45Å; K296-E315 PolarHBondContact NZ-O 3.21Å; K313-E315 IonicContact NZ-OE1 3.84Å; K313-E315 PolarHBondContact NZ-OE1 2.82Å; K313-E315 IonicContact NZ-OE2 2.72Å; K313-E315 PolarHBondContact NZ-OE2 3.05Å
316	P	87.3	Confident	77.5	Confident	49 Å²	49	95.3 Å²	95.3	32%	0.318	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-62.6	143.7	176.8	27.4	-33.3	0	0	0	110.5	E320 E321	P316-E320 HydrophobicContact CB-CB 3.82Å; P316-E321 HydrophobicContact CB-CG 4.13Å; P316-E321 HydrophobicContact CG-CG 4.08Å
317	D	83.6	Confident	74.7	Confident	85 Å²	85	96.9 Å²	96.9	46%	0.455	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-77.7	164.7	166.9	-59.1	-36.4	0	0	0	109.8	K296 E319 E320 E321	K296-D317 IonicContact NZ-OD1 3.4Å; K296-D317 PolarHBondContact NZ-OD1 3.33Å; K296-D317 IonicContact NZ-OD2 3.49Å; K296-D317 PolarHBondContact NZ-OD2 3.16Å; D317-E319 PolarHBondContact O-N 3.26Å; D317-E320 HydrophobicContact CB-CG 4.29Å; D317-E320 WeakPolarHBondContact O-CA 3.39Å; D317-E320 WeakPolarHBondContact O-CB 3.39Å; D317-E320 PolarHBondContact O-N 2.87Å; D317-E321 PolarHBondContact O-N 3.29Å; D317-E321 VanDerWaalsContact O-N 3.14Å
318	I	76.9	Confident	71.8	Confident	135 Å²	135	93.6 Å²	93.6	69%	0.692	49%	0.493	S	S	*	.	H	α-helix	trans	-53	-41.8	178.2	-60.7	172.7	0	0	0	110.9	E320 E321 D322	I318-E320 PolarHBondContact O-N 3.16Å; I318-E321 PolarHBondContact O-N 3.31Å; I318-D322 PolarHBondContact O-N 3.49Å
319	E	74.1	Confident	69.3	Low	144 Å²	144	93.2 Å²	93.2	67%	0.673	50%	0.503	S	S	*	.	H	α-helix	trans	-64.5	-24.9	176.6	-60.9	-178.4	-175.8	0	0	113.4	D317 N323	D317-E319 PolarHBondContact O-N 3.26Å; E319-N323 PolarHBondContact O-ND2 2.57Å
320	E	76	Confident	66.6	Low	9 Å²	9	100.3 Å²	100.3	4%	0.042	54%	0.537	C	S	.	.	H	α-helix	trans	-80.3	-33.5	176.3	-59.7	-174.1	-155.2	0	0	111.3	S207 P208 S209 K296 P316 D317 I318 N323 V324	S207-E320 WeakPolarHBondContact CA-OE2 3.48Å; S207-E320 VanDerWaalsContact CB-OE2 3.23Å; S207-E320 WeakPolarHBondContact CB-OE2 3.24Å; S207-E320 PolarHBondContact OG-OE2 2.82Å; P208-E320 WeakPolarHBondContact CD-OE1 3.28Å; S209-E320 VanDerWaalsContact CB-OE2 3.28Å; S209-E320 WeakPolarHBondContact CB-OE2 3.48Å; S209-E320 PolarHBondContact N-OE2 3.11Å; S209-E320 VanDerWaalsContact N-OE2 3.13Å; S209-E320 PolarHBondContact OG-OE2 2.6Å; K296-E320 WeakPolarHBondContact CE-OE1 3.38Å; K296-E320 IonicContact NZ-OE1 2.75Å; P316-E320 HydrophobicContact CB-CB 3.82Å; D317-E320 HydrophobicContact CB-CG 4.29Å; D317-E320 WeakPolarHBondContact O-CA 3.39Å; D317-E320 WeakPolarHBondContact O-CB 3.39Å; D317-E320 PolarHBondContact O-N 2.87Å; I318-E320 PolarHBondContact O-N 3.16Å; E320-N323 PolarHBondContact O-N 3.12Å; E320-V324 VanDerWaalsContact O-CG2 3.31Å; E320-V324 WeakPolarHBondContact O-CG2 3.13Å
321	E	63.9	Low	64.1	Low	122 Å²	122	102.9 Å²	102.9	57%	0.57	55%	0.546	S	S	*	.	H	α-helix	trans	-66.8	-39.5	179.1	-66	-170	163.2	0	0	112.1	P316 D317 I318 N323 V324	P316-E321 HydrophobicContact CB-CG 4.13Å; P316-E321 HydrophobicContact CG-CG 4.08Å; D317-E321 PolarHBondContact O-N 3.29Å; D317-E321 VanDerWaalsContact O-N 3.14Å; I318-E321 PolarHBondContact O-N 3.31Å; E321-N323 VanDerWaalsContact C-N 3.28Å; E321-N323 PolarHBondContact O-N 3.22Å; E321-V324 PolarHBondContact O-N 2.86Å
322	D	54.9	Low	61.7	Low	112 Å²	112	100.2 Å²	100.2	60%	0.599	54%	0.54	S	S	*	.	H	α-helix	trans	-63.6	-35.5	178.3	-70.1	-27.4	0	0	0	111.8	I318 V324 S325	I318-D322 PolarHBondContact O-N 3.49Å; D322-V324 VanDerWaalsContact C-N 3.26Å; D322-V324 PolarHBondContact O-N 3.13Å; D322-S325 PolarHBondContact O-OG 3.05Å
323	N	56	Low	59	Low	99 Å²	99	106 Å²	106	53%	0.529	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.6	-3.5	179.5	-74.5	-53.4	0	0	0	114.5	N206 E319 E320 E321	N206-N323 HydrophobicContact CB-CB 4.4Å; N206-N323 PolarHBondContact ND2-O 3.24Å; N206-N323 VanDerWaalsContact ND2-O 3.12Å; E319-N323 PolarHBondContact O-ND2 2.57Å; E320-N323 PolarHBondContact O-N 3.12Å; E321-N323 VanDerWaalsContact C-N 3.28Å; E321-N323 PolarHBondContact O-N 3.22Å
324	V	50.5	Low	56.2	Low	100 Å²	100	107.1 Å²	107.1	61%	0.606	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-8.3	178.6	173.9	0	0	0	0	112	E320 E321 D322 E326	E320-V324 VanDerWaalsContact O-CG2 3.31Å; E320-V324 WeakPolarHBondContact O-CG2 3.13Å; E321-V324 PolarHBondContact O-N 2.86Å; D322-V324 VanDerWaalsContact C-N 3.26Å; D322-V324 PolarHBondContact O-N 3.13Å; V324-E326 PolarHBondContact O-N 2.88Å
325	S	38.7	Very low	53.3	Low	98 Å²	98	113.2 Å²	113.2	69%	0.685	61%	0.614	S	S	*	*	S	Bend	trans	-72.4	101.6	179	52.6	0	0	0	0	112	D322	D322-S325 PolarHBondContact O-OG 3.05Å
326	E	35.4	Very low	50.5	Low	177 Å²	177	116.2 Å²	116.2	83%	0.827	63%	0.631	S	S	*	*			trans	36.3	132.8	171.8	-67	-167.3	164.7	0	0	119.3	V324 S328	V324-E326 PolarHBondContact O-N 2.88Å; E326-S328 PolarHBondContact O-N 3.23Å
327	P	34.8	Very low	47.9	Very low	127 Å²	127	118.8 Å²	118.8	83%	0.825	65%	0.65	S	S	*	*			trans	-65.5	101.4	166.5	29	-28.9	0	0	0	107.9	S329	P327-S329 PolarHBondContact O-N 3.49Å
328	S	32.4	Very low	45.4	Very low	67 Å²	67	122.7 Å²	122.7	47%	0.469	67%	0.665	S	S	.	*			trans	-53.5	112.1	165.5	34.1	0	0	0	0	107.4	E326 E330 D331	E326-S328 PolarHBondContact O-N 3.23Å; S328-E330 PolarHBondContact O-N 3.04Å; S328-D331 PolarHBondContact OG-OD2 3.15Å
329	S	39.8	Very low	43.3	Very low	107 Å²	107	125 Å²	125	75%	0.748	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	14.3	173.5	52.5	0	0	0	0	113.7	P327	P327-S329 PolarHBondContact O-N 3.49Å
330	E	37.7	Very low	41.2	Very low	159 Å²	159	121.2 Å²	121.2	74%	0.743	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-14.2	-171.8	-64.3	-169.2	167.4	0	0	113.3	S328 D332	S328-E330 PolarHBondContact O-N 3.04Å; E330-D332 PolarHBondContact O-N 3.38Å
331	D	39.4	Very low	39	Very low	133 Å²	133	129.1 Å²	129.1	71%	0.711	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	3.8	176.9	-66.6	-48.4	0	0	0	113.6	S328	S328-D331 PolarHBondContact OG-OD2 3.15Å
332	D	42.5	Very low	37.5	Very low	120 Å²	120	128.6 Å²	128.6	64%	0.642	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	9.3	-178.1	-83.4	-35.4	0	0	0	114.1	E330	E330-D332 PolarHBondContact O-N 3.38Å
333	L	37.2	Very low	36.4	Very low	139 Å²	139	130.2 Å²	130.2	73%	0.728	72%	0.719	S	S	*	*	S	Bend	trans	-114.9	-9	-172.5	-73.4	173	0	0	0	117.6
334	D	34.1	Very low	35.3	Very low	155 Å²	155	131 Å²	131	83%	0.829	72%	0.723	S	S	*	*	S	Bend	trans	-123.3	19.6	-167.1	-79.1	-23.6	0	0	0	117.6
335	D	32.7	Very low	34.3	Very low	130 Å²	130	130.8 Å²	130.8	70%	0.695	72%	0.718	S	S	*	*			trans	-125.9	29.7	174.3	-149.1	11.8	0	0	0	114.3	S337	D335-S337 VanDerWaalsContact C-N 3.26Å; D335-S337 PolarHBondContact O-N 2.97Å
336	M	33.2	Very low	34.1	Very low	174 Å²	174	129.9 Å²	129.9	86%	0.857	72%	0.716	S	S	*	*	S	Bend	trans	-82.1	11.4	177.7	-88	-69	-35.3	0	0	114.1
337	S	31.8	Very low	33.8	Very low	103 Å²	103	126.8 Å²	126.8	72%	0.72	71%	0.705	S	S	*	*	S	Bend	trans	-123.3	-1.7	-171	54.1	0	0	0	0	117.8	D335	D335-S337 VanDerWaalsContact C-N 3.26Å; D335-S337 PolarHBondContact O-N 2.97Å
338	E	32.3	Very low	33.7	Very low	167 Å²	167	127.4 Å²	127.4	78%	0.78	70%	0.701	S	S	*	*	S	Bend	trans	-137.2	53.6	-179.1	-74.7	-166.7	161	0	0	114.8
339	Q	32.8	Very low	33.9	Very low	182 Å²	182	132.2 Å²	132.2	85%	0.85	72%	0.722	S	S	*	*	S	Bend	trans	-132.4	81.7	142.5	-72.6	-169.4	-2.6	0	0	107.7
340	G	30.2	Very low	33.6	Very low	65 Å²	65	134.2 Å²	134.2	67%	0.67	72%	0.717	S	S	*	*			trans	-50.6	137.5	174.3	0	0	0	0	0	110.7	V342	G340-V342 PolarHBondContact O-N 3.13Å
341	E	28.5	Very low	33.3	Very low	176 Å²	176	134.4 Å²	134.4	82%	0.822	72%	0.723	S	S	*	*			trans	-35.1	100.8	157.6	-63.3	171.6	145.3	0	0	109.9	E343	E341-E343 HydrophobicContact CB-CG 4.41Å; E341-E343 PolarHBondContact O-N 3.39Å
342	V	32.5	Very low	33.2	Very low	111 Å²	111	133.4 Å²	133.4	67%	0.673	73%	0.727	S	S	*	*			trans	-77	78.2	151.2	-172.3	0	0	0	0	104.8	G340 D344	G340-V342 PolarHBondContact O-N 3.13Å; V342-D344 HydrophobicContact CG1-CB 4.16Å; V342-D344 PolarHBondContact O-N 2.82Å
343	E	31.4	Very low	32.7	Very low	146 Å²	146	137 Å²	137	68%	0.682	74%	0.74	S	S	*	*			trans	-59.9	77.4	148.2	-79.7	-169.2	150.6	0	0	107.2	E341 L345	E341-E343 HydrophobicContact CB-CG 4.41Å; E341-E343 PolarHBondContact O-N 3.39Å; E343-L345 PolarHBondContact O-N 3.17Å
344	D	34.4	Very low	32.6	Very low	116 Å²	116	138.4 Å²	138.4	62%	0.62	74%	0.742	S	S	*	*			trans	-71.4	89.5	155.3	-89.1	-21.2	0	0	0	106.4	V342 A346	V342-D344 HydrophobicContact CG1-CB 4.16Å; V342-D344 PolarHBondContact O-N 2.82Å; D344-A346 PolarHBondContact O-N 3.35Å
345	L	29.2	Very low	32.4	Very low	94 Å²	94	139.2 Å²	139.2	49%	0.492	75%	0.747	S	S	.	*			trans	-59.4	69	151	-68.7	169.8	0	0	0	108.8	E343 L347 F620	E343-L345 PolarHBondContact O-N 3.17Å; L345-L347 PolarHBondContact O-N 3.25Å; L345-L347 VanDerWaalsContact O-N 3.15Å; L345-F620 HydrophobicContact CB-CZ 3.95Å; L345-F620 HydrophobicContact CD1-CE1 4.37Å; L345-F620 HydrophobicContact CD1-CZ 3.87Å
346	A	32.9	Very low	32.5	Very low	79 Å²	79	138.2 Å²	138.2	65%	0.653	75%	0.745	S	S	*	*			trans	-80.2	78	153	0	0	0	0	0	106.9	D344 D348	D344-A346 PolarHBondContact O-N 3.35Å; A346-D348 PolarHBondContact O-N 3.34Å; A346-D348 VanDerWaalsContact O-N 3.09Å
347	L	30.4	Very low	32.4	Very low	112 Å²	112	134.6 Å²	134.6	59%	0.586	74%	0.743	S	S	*	*			trans	-75.5	64.1	159.1	-101.4	163.7	0	0	0	107.6	L345 F350	L345-L347 PolarHBondContact O-N 3.25Å; L345-L347 VanDerWaalsContact O-N 3.15Å; L347-F350 HydrophobicContact CD2-CD2 4.19Å; L347-F350 HydrophobicContact CD2-CE2 4.45Å
348	D	33.4	Very low	32.4	Very low	141 Å²	141	135.9 Å²	135.9	75%	0.754	75%	0.746	S	S	*	*			trans	-127.4	84.2	171.8	-78.7	-28.3	0	0	0	107.5	A346	A346-D348 PolarHBondContact O-N 3.34Å; A346-D348 VanDerWaalsContact O-N 3.09Å
349	D	35	Very low	32.2	Very low	168 Å²	168	130.1 Å²	130.1	90%	0.898	73%	0.731	S	S	*	*			trans	172.1	67.5	149	-91.3	-15	0	0	0	107
350	F	33.1	Very low	32.1	Very low	148 Å²	148	128.6 Å²	128.6	65%	0.649	73%	0.729	S	S	*	*			trans	-115	89.2	160.8	-109	-84.4	0	0	0	105.9	L347	L347-F350 HydrophobicContact CD2-CD2 4.19Å; L347-F350 HydrophobicContact CD2-CE2 4.45Å
351	D	32.6	Very low	32.4	Very low	164 Å²	164	131.8 Å²	131.8	88%	0.877	73%	0.729	S	S	*	*			trans	167.2	76.4	145.9	-84.3	-15	0	0	0	109.7
352	S	36.7	Very low	32.6	Very low	112 Å²	112	131.3 Å²	131.3	78%	0.783	73%	0.727	S	S	*	*			trans	-143	100.5	145.7	54.9	0	0	0	0	108.6	E354	S352-E354 PolarHBondContact O-N 2.67Å; S352-E354 VanDerWaalsContact O-N 3.08Å
353	E	32.4	Very low	32.7	Very low	195 Å²	195	131.8 Å²	131.8	91%	0.911	73%	0.731	S	S	*	*			trans	-63.4	100.7	158.5	-72.9	-169.8	162.1	0	0	107.7
354	E	35.6	Very low	32.7	Very low	168 Å²	168	133.6 Å²	133.6	79%	0.785	74%	0.739	S	S	*	*			trans	-125.7	98.4	152.9	-88.4	-169.1	162.5	0	0	108.1	S352 V356	S352-E354 PolarHBondContact O-N 2.67Å; S352-E354 VanDerWaalsContact O-N 3.08Å; E354-V356 VanDerWaalsContact C-N 3.26Å; E354-V356 HydrophobicContact CB-CG2 4.43Å; E354-V356 PolarHBondContact O-N 3.22Å
355	D	29.9	Very low	32.9	Very low	172 Å²	172	134.8 Å²	134.8	92%	0.92	75%	0.745	S	S	*	*			trans	-60.7	88.7	161.6	-78.4	-39.6	0	0	0	108.9
356	V	34.4	Very low	33.1	Very low	109 Å²	109	138.2 Å²	138.2	66%	0.661	76%	0.756	S	S	*	*			trans	-111	113	161.7	-171.8	0	0	0	0	107.6	E354 V358	E354-V356 VanDerWaalsContact C-N 3.26Å; E354-V356 HydrophobicContact CB-CG2 4.43Å; E354-V356 PolarHBondContact O-N 3.22Å; V356-V358 PolarHBondContact O-N 2.86Å
357	A	30.1	Very low	32.9	Very low	98 Å²	98	140.8 Å²	140.8	81%	0.81	76%	0.759	S	S	*	*			trans	-46.6	106.2	-179.4	0	0	0	0	0	112	G359	A357-G359 PolarHBondContact O-N 3.44Å
358	V	31.7	Very low	33	Very low	131 Å²	131	139.4 Å²	139.4	79%	0.794	76%	0.756	S	S	*	*			trans	-75.2	82.5	164	-177	0	0	0	0	106.8	V356	V356-V358 PolarHBondContact O-N 2.86Å
359	G	29.6	Very low	33	Very low	45 Å²	45	140.2 Å²	140.2	46%	0.464	76%	0.76	S	S	.	*			trans	-78.8	121.2	165.9	0	0	0	0	0	110.1	A357 I361	A357-G359 PolarHBondContact O-N 3.44Å; G359-I361 PolarHBondContact O-N 2.91Å; G359-I361 VanDerWaalsContact O-N 3.14Å
360	D	30.3	Very low	32.9	Very low	151 Å²	151	139 Å²	139	81%	0.807	75%	0.753	S	S	*	*	S	Bend	trans	52	37.6	146.2	-57.1	-20.6	0	0	0	120.2
361	I	36	Very low	33	Very low	131 Å²	131	138 Å²	138	67%	0.672	76%	0.755	S	S	*	*			trans	-104.1	-10.3	172.3	-66.8	168.7	0	0	0	113.5	G359 T363	G359-I361 PolarHBondContact O-N 2.91Å; G359-I361 VanDerWaalsContact O-N 3.14Å; I361-T363 VanDerWaalsContact C-N 3.28Å; I361-T363 PolarHBondContact O-N 2.85Å
362	E	33.4	Very low	33.1	Very low	167 Å²	167	137 Å²	137	78%	0.78	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	0.3	-179.2	-69.7	-167.6	154.1	0	0	114.9
363	T	33.2	Very low	32.6	Very low	121 Å²	121	135.4 Å²	135.4	74%	0.742	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	-4.2	-178.1	-4.2	0	0	0	0	115.3	I361	I361-T363 VanDerWaalsContact C-N 3.28Å; I361-T363 PolarHBondContact O-N 2.85Å
364	E	33.3	Very low	32.4	Very low	183 Å²	183	131 Å²	131	86%	0.855	74%	0.736	S	S	*	*	S	Bend	trans	-105.4	-3.3	173.8	-68.3	-152.6	160.8	0	0	114	F366	E364-F366 VanDerWaalsContact C-N 3.27Å; E364-F366 PolarHBondContact O-N 2.82Å
365	L	37	Very low	31.9	Very low	142 Å²	142	134.6 Å²	134.6	74%	0.743	74%	0.742	S	S	*	*	S	Bend	trans	-87.7	13.7	-178	-135.9	81.6	0	0	0	114.6
366	F	33.3	Very low	31.8	Very low	165 Å²	165	132 Å²	132	72%	0.724	72%	0.723	S	S	*	*			trans	-136.8	79	-178.3	-64.1	-78.4	0	0	0	110.8	E364	E364-F366 VanDerWaalsContact C-N 3.27Å; E364-F366 PolarHBondContact O-N 2.82Å
367	N	28.5	Very low	31.5	Very low	134 Å²	134	136.9 Å²	136.9	72%	0.717	73%	0.729	S	S	*	*			trans	-73.1	126.2	149.2	-104.5	-16.5	0	0	0	107
368	P	34	Very low	31.5	Very low	83 Å²	83	139.6 Å²	139.6	54%	0.539	73%	0.73	S	S	.	*			trans	-53.8	153.2	171.2	-17.7	28.9	0	0	0	109.1	D370	P368-D370 HydrophobicContact CB-CB 4.4Å; P368-D370 PolarHBondContact O-N 3.01Å
369	L	32.6	Very low	31.2	Very low	157 Å²	157	143.1 Å²	143.1	82%	0.822	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	20.9	171.6	-79.5	159.1	0	0	0	114.7
370	D	33.3	Very low	31.3	Very low	143 Å²	143	150.6 Å²	150.6	77%	0.765	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-5.3	-178.4	-73.5	-28.8	0	0	0	114.1	P368	P368-D370 HydrophobicContact CB-CB 4.4Å; P368-D370 PolarHBondContact O-N 3.01Å
371	N	34.5	Very low	31.1	Very low	127 Å²	127	153.7 Å²	153.7	68%	0.679	76%	0.757	S	S	*	*	S	Bend	trans	-116	10.2	-175.6	-88.5	-16.9	0	0	0	116.9
372	I	34.4	Very low	30.8	Very low	142 Å²	142	150.4 Å²	150.4	73%	0.728	76%	0.756	S	S	*	*	S	Bend	trans	-122.9	109.5	164.5	-60.9	174.5	0	0	0	107.2	V374	I372-V374 PolarHBondContact O-N 3.24Å
373	G	26.8	Very low	30.6	Very low	80 Å²	80	147.5 Å²	147.5	83%	0.825	75%	0.754	S	S	*	*			trans	-59.5	95.1	-163.9	0	0	0	0	0	114.8
374	V	28.3	Very low	30.4	Very low	102 Å²	102	152.6 Å²	152.6	62%	0.618	76%	0.759	S	S	*	*			trans	-120.7	81	147.2	-170.2	0	0	0	0	106.8	I372 F376	I372-V374 PolarHBondContact O-N 3.24Å; V374-F376 HydrophobicContact CB-CE2 4.49Å; V374-F376 HydrophobicContact CG1-CD2 3.63Å; V374-F376 HydrophobicContact CG1-CE2 3.22Å; V374-F376 HydrophobicContact CG1-CZ 3.85Å; V374-F376 PolarHBondContact O-N 3.11Å; V374-F376 VanDerWaalsContact O-N 3.09Å
375	R	25.5	Very low	30.2	Very low	244 Å²	244	151.4 Å²	151.4	92%	0.921	76%	0.758	S	S	*	*			trans	-82.9	82.7	-178.1	-150.8	-178.6	-157.5	173.5	7.6	109.3	R377	R375-R377 PolarHBondContact O-N 3.04Å
376	F	27.7	Very low	29.7	Very low	118 Å²	118	151.6 Å²	151.6	52%	0.518	76%	0.76	S	S	.	*			trans	-70.1	113.2	165.3	-72	-73.9	0	0	0	108.9	V374 N378 L541	V374-F376 HydrophobicContact CB-CE2 4.49Å; V374-F376 HydrophobicContact CG1-CD2 3.63Å; V374-F376 HydrophobicContact CG1-CE2 3.22Å; V374-F376 HydrophobicContact CG1-CZ 3.85Å; V374-F376 PolarHBondContact O-N 3.11Å; V374-F376 VanDerWaalsContact O-N 3.09Å; F376-N378 PolarHBondContact O-N 2.73Å; F376-L541 HydrophobicContact CE2-CD2 4.07Å; F376-L541 HydrophobicContact CZ-CD2 4.44Å
377	R	27.7	Very low	29.7	Very low	211 Å²	211	150.8 Å²	150.8	80%	0.796	77%	0.768	S	S	*	*			trans	-68.7	95.7	170.6	-97.1	-177.9	173	142.3	-2.6	109	R375 Y379	R375-R377 PolarHBondContact O-N 3.04Å; R377-Y379 PolarHBondContact O-N 2.91Å; R377-Y379 VanDerWaalsContact O-N 3.14Å
378	N	30.1	Very low	29.7	Very low	155 Å²	155	152 Å²	152	83%	0.829	77%	0.77	S	S	*	*			trans	-70.9	100.3	161.4	-85.7	-22.1	0	0	0	109.3	F376 K380	F376-N378 PolarHBondContact O-N 2.73Å; N378-K380 PolarHBondContact O-N 3.03Å
379	Y	26.5	Very low	29.6	Very low	204 Å²	204	156.1 Å²	156.1	80%	0.8	79%	0.787	S	S	*	*			trans	-79.1	102.1	168	-103.4	-85.5	0	0	0	109.4	R377	R377-Y379 PolarHBondContact O-N 2.91Å; R377-Y379 VanDerWaalsContact O-N 3.14Å
380	K	31.8	Very low	29.6	Very low	202 Å²	202	155.1 Å²	155.1	88%	0.878	78%	0.783	S	S	*	*			trans	-80.7	113.9	161	-96.2	-176.4	175.8	177.7	0	109.3	N378	N378-K380 PolarHBondContact O-N 3.03Å
381	F	25.6	Very low	29.5	Very low	217 Å²	217	156.6 Å²	156.6	95%	0.952	79%	0.789	S	S	*	*			trans	-67.7	125.6	170.5	-151.5	-97.5	0	0	0	109.5
382	G	28.6	Very low	29.6	Very low	62 Å²	62	155.8 Å²	155.8	64%	0.639	79%	0.789	S	S	*	*			trans	177.9	62.3	-174.4	0	0	0	0	0	117.8
383	S	29.7	Very low	29.3	Very low	105 Å²	105	155 Å²	155	73%	0.734	80%	0.796	S	S	*	*			trans	70	120.5	144.1	81.7	0	0	0	0	121.2
384	R	29.1	Very low	29.7	Very low	229 Å²	229	156.2 Å²	156.2	86%	0.864	79%	0.792	S	S	*	*			trans	92.9	121.8	141.6	-68.1	176.5	-174.9	-169.9	2.8	120.5
385	L	30	Very low	30.1	Very low	157 Å²	157	160.6 Å²	160.6	82%	0.822	81%	0.806	S	S	*	*			trans	100.5	84.5	144	-72.9	147.1	0	0	0	119
386	N	26.4	Very low	30.3	Very low	146 Å²	146	157.2 Å²	157.2	78%	0.781	81%	0.805	S	S	*	*				25.1	120.3	126.9	-77.4	-8.8	0	0	0	118.8
387	T	31.8	Very low	30.4	Very low	148 Å²	148	163.3 Å²	163.3	91%	0.908	82%	0.824	S	S	*	*				-160.3	131.2	113.7	9	0	0	0	0	110.6
388	Q	29.2	Very low	30.7	Very low	159 Å²	159	158.6 Å²	158.6	74%	0.743	82%	0.824	S	S	*	*			trans	-71.3	147.7	-172.5	-68	158.3	-48.2	0	0	112.4
389	N	32.1	Very low	30.7	Very low	171 Å²	171	158.6 Å²	158.6	91%	0.914	82%	0.823	S	S	*	*			trans	-153.9	112.8	135.5	-94.8	-26.7	0	0	0	109.9
390	N	31.9	Very low	30.9	Very low	136 Å²	136	159.1 Å²	159.1	73%	0.727	83%	0.829	S	S	*	*			trans	-74.2	135.7	178.6	-71	-35.7	0	0	0	110.9
391	I	32.2	Very low	31	Very low	173 Å²	173	153.7 Å²	153.7	89%	0.887	82%	0.817	S	S	*	*			trans	-125.2	130.6	144.9	-64.8	-178.9	0	0	0	108
392	T	36.8	Very low	31.2	Very low	110 Å²	110	151.2 Å²	151.2	68%	0.675	81%	0.813	S	S	*	*			trans	-82.1	153.1	-160	40.3	0	0	0	0	114.4	S394	T392-S394 PolarHBondContact O-N 3.41Å; T392-S394 VanDerWaalsContact O-N 3.17Å
393	S	27.8	Very low	31.3	Very low	126 Å²	126	154.1 Å²	154.1	88%	0.881	82%	0.818	S	S	*	*	S	Bend	trans	-53.7	100	172.4	27.5	0	0	0	0	114.3
394	S	34.5	Very low	31.2	Very low	106 Å²	106	155.7 Å²	155.7	74%	0.741	82%	0.823	S	S	*	*			trans	-154.5	10.7	162.6	61.6	0	0	0	0	116.5	T392	T392-S394 PolarHBondContact O-N 3.41Å; T392-S394 VanDerWaalsContact O-N 3.17Å
395	Q	36.3	Very low	31.4	Very low	194 Å²	194	150 Å²	150	91%	0.907	82%	0.819	S	S	*	*			trans	-125.3	18.1	-177.3	-70.8	-174.8	-31.6	0	0	116.1
396	L	30.4	Very low	31.5	Very low	172 Å²	172	153.6 Å²	153.6	90%	0.901	82%	0.821	S	S	*	*			trans	-107.6	88.6	170.5	-96.8	155.8	0	0	0	110.5
397	R	29.5	Very low	31.7	Very low	246 Å²	246	152.5 Å²	152.5	93%	0.928	82%	0.819	S	S	*	*			trans	-178.9	133.5	155.9	-107.1	177.7	-81.6	-172.1	-2.6	110.2
398	S	33.9	Very low	31.8	Very low	112 Å²	112	152.4 Å²	152.4	78%	0.783	81%	0.813	S	S	*	*			trans	100	108.7	-173.6	-160.1	0	0	0	0	111.1
399	L	31.3	Very low	32.1	Very low	155 Å²	155	150 Å²	150	81%	0.812	81%	0.814	S	S	*	*			cis	-140.7	119.9	25.2	-80.8	112.2	0	0	0	111.5
400	K	29.8	Very low	32.2	Very low	216 Å²	216	150 Å²	150	94%	0.939	81%	0.814	S	S	*	*			trans	-132	93.3	154	-103	-172.6	177.2	-178.2	0	105.9
401	S	34.2	Very low	32.3	Very low	88 Å²	88	148.3 Å²	148.3	62%	0.615	81%	0.811	S	S	*	*			trans	172	115.2	161	62.2	0	0	0	0	105.2
402	L	29.8	Very low	32.2	Very low	165 Å²	165	147.6 Å²	147.6	86%	0.864	81%	0.808	S	S	*	*				-166.2	128.6	77.2	-90.6	128.2	0	0	0	109.7
403	T	30.9	Very low	31.9	Very low	123 Å²	123	151.2 Å²	151.2	76%	0.755	81%	0.814	S	S	*	*			trans	-85.7	152.7	160.9	36	0	0	0	0	110.7
404	T	28.1	Very low	32.1	Very low	137 Å²	137	154.1 Å²	154.1	84%	0.84	82%	0.819	S	S	*	*			trans	72.6	115.8	156	55	0	0	0	0	121.1
405	S	32.7	Very low	31.9	Very low	110 Å²	110	157.8 Å²	157.8	77%	0.769	82%	0.824	S	S	*	*				-179.2	134.6	115.1	65	0	0	0	0	115
406	R	30.8	Very low	31.6	Very low	233 Å²	233	153.2 Å²	153.2	88%	0.879	81%	0.814	S	S	*	*			trans	65	116	150.9	-76.9	175.8	163.4	149.3	-4.6	119.3
407	V	31.7	Very low	31.8	Very low	122 Å²	122	152.3 Å²	152.3	74%	0.739	81%	0.81	S	S	*	*				67.7	102	60.6	-177.6	0	0	0	0	113.5
408	D	32.9	Very low	31.9	Very low	146 Å²	146	152.3 Å²	152.3	78%	0.781	81%	0.81	S	S	*	*				171.4	133.4	116.1	-96.3	-31.7	0	0	0	114.8
409	S	36.6	Very low	31.7	Very low	109 Å²	109	152.2 Å²	152.2	76%	0.762	81%	0.809	S	S	*	*			trans	64.3	102	145.4	55.2	0	0	0	0	124.6
410	D	33	Very low	31.5	Very low	171 Å²	171	149.8 Å²	149.8	91%	0.914	81%	0.805	S	S	*	*				37.4	153.3	124.4	-103.5	7.3	0	0	0	126.3
411	P	35.9	Very low	31.6	Very low	100 Å²	100	145.8 Å²	145.8	65%	0.649	80%	0.799	S	S	*	*			trans	-109.7	169.5	-154.3	43.4	-37.1	0	0	0	115.2
412	L	29.5	Very low	31.3	Very low	159 Å²	159	149.8 Å²	149.8	83%	0.832	81%	0.808	S	S	*	*			trans	167.4	147.1	141.6	-94.4	162.8	0	0	0	112.8
413	K	29.9	Very low	31.2	Very low	186 Å²	186	147.9 Å²	147.9	81%	0.809	80%	0.803	S	S	*	*			trans	75.9	107.9	157.8	-71.3	174	177	179.8	0	119.6
414	L	31.5	Very low	31.3	Very low	186 Å²	186	148.9 Å²	148.9	97%	0.974	80%	0.804	S	S	*	*				-151.2	108.3	124.5	-109.6	133.9	0	0	0	110.2
415	Q	30.7	Very low	31.5	Very low	183 Å²	183	150.7 Å²	150.7	86%	0.855	80%	0.802	S	S	*	*			trans	-106	165.2	169.1	-152	178.7	20.8	0	0	107
416	S	31.2	Very low	31.4	Very low	99 Å²	99	153.7 Å²	153.7	69%	0.692	81%	0.809	S	S	*	*			trans	82.9	103.4	170.4	79.3	0	0	0	0	117.9
417	D	32.9	Very low	31.3	Very low	152 Å²	152	146.3 Å²	146.3	81%	0.813	79%	0.791	S	S	*	*				-176.2	110.1	105	-89.7	-15.2	0	0	0	112.4
418	R	32.6	Very low	31.2	Very low	246 Å²	246	147 Å²	147	93%	0.928	79%	0.79	S	S	*	*				159.6	95.3	128.9	-87.8	179.1	175.8	-170.9	-1.6	112.4
419	S	29	Very low	31.3	Very low	111 Å²	111	148.7 Å²	148.7	78%	0.776	79%	0.787	S	S	*	*			trans	-43.5	151	139.3	52.2	0	0	0	0	110.4
420	S	27.8	Very low	30.9	Very low	103 Å²	103	147.5 Å²	147.5	72%	0.72	78%	0.779	S	S	*	*			cis	175.2	141.1	29.8	35.8	0	0	0	0	104.6
421	V	31.1	Very low	30.6	Very low	133 Å²	133	147.8 Å²	147.8	81%	0.806	78%	0.775	S	S	*	*			trans	-168.9	113.9	139.2	167.7	0	0	0	0	108.8
422	E	29.4	Very low	30.4	Very low	172 Å²	172	150 Å²	150	80%	0.804	78%	0.78	S	S	*	*			trans	35.4	123.9	142.9	-65.7	174.7	151.6	0	0	123.3
423	T	27.8	Very low	30.4	Very low	124 Å²	124	149 Å²	149	76%	0.761	78%	0.775	S	S	*	*			trans	-34.2	130	150.4	48.9	0	0	0	0	114.9
424	N	31.9	Very low	30.3	Very low	145 Å²	145	148.2 Å²	148.2	78%	0.775	78%	0.776	S	S	*	*			trans	-157.4	118.1	147.6	-88.9	-40.7	0	0	0	111.8
425	H	32.8	Very low	30.2	Very low	175 Å²	175	146 Å²	146	81%	0.81	77%	0.77	S	S	*	*			trans	35.5	111.2	148.4	-67	-70.7	0	0	0	120.5
426	L	29.5	Very low	30.1	Very low	172 Å²	172	142.6 Å²	142.6	90%	0.901	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-71.8	129.8	160.4	-156.9	80	0	0	0	109.5
427	P	30.6	Very low	29.9	Very low	78 Å²	78	141.1 Å²	141.1	51%	0.506	77%	0.765	S	S	.	*	P	Polyproline II helix	trans	-77.8	141	174.4	-5.3	22.6	0	0	0	111.3	Y429	P427-Y429 HydrophobicContact CB-CE2 4.17Å; P427-Y429 HydrophobicContact CG-CE2 4.21Å; P427-Y429 VanDerWaalsContact O-CD2 3.26Å; P427-Y429 WeakPolarHBondContact O-CD2 3.04Å
428	D	29.2	Very low	29.9	Very low	136 Å²	136	138.8 Å²	138.8	73%	0.727	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-68.7	124.1	167.3	-176	-4.2	0	0	0	109.5	S430	D428-S430 VanDerWaalsContact CG-OG 3.28Å; D428-S430 WeakPolarHBondContact OD1-CB 3.44Å; D428-S430 PolarHBondContact OD1-N 2.96Å; D428-S430 PolarHBondContact OD1-OG 2.66Å; D428-S430 PolarHBondContact OD2-OG 3.32Å
429	Y	33.9	Very low	29.8	Very low	182 Å²	182	135.1 Å²	135.1	71%	0.714	75%	0.753	S	S	*	*			trans	-106.5	35.9	-178.4	-75.7	-76.8	0	0	0	112.7	P427 E431	P427-Y429 HydrophobicContact CB-CE2 4.17Å; P427-Y429 HydrophobicContact CG-CE2 4.21Å; P427-Y429 VanDerWaalsContact O-CD2 3.26Å; P427-Y429 WeakPolarHBondContact O-CD2 3.04Å; Y429-E431 VanDerWaalsContact C-N 3.29Å; Y429-E431 PolarHBondContact O-N 3.04Å
430	S	28.1	Very low	29.9	Very low	85 Å²	85	134.5 Å²	134.5	59%	0.594	75%	0.745	S	S	*	*			trans	-87.3	44.6	172.6	56.1	0	0	0	0	113.4	D428	D428-S430 VanDerWaalsContact CG-OG 3.28Å; D428-S430 WeakPolarHBondContact OD1-CB 3.44Å; D428-S430 PolarHBondContact OD1-N 2.96Å; D428-S430 PolarHBondContact OD1-OG 2.66Å; D428-S430 PolarHBondContact OD2-OG 3.32Å
431	E	28	Very low	30	Very low	176 Å²	176	139.3 Å²	139.3	82%	0.822	75%	0.749	S	S	*	*			trans	-169.6	94.1	167.7	-112.1	172.9	-147.7	0	0	111.8	Y429	Y429-E431 VanDerWaalsContact C-N 3.29Å; Y429-E431 PolarHBondContact O-N 3.04Å
432	I	30.7	Very low	30	Very low	147 Å²	147	141.1 Å²	141.1	75%	0.754	75%	0.748	S	S	*	*			trans	-131.1	78.2	157	-55.3	-179.8	0	0	0	108
433	N	29.6	Very low	30	Very low	138 Å²	138	136.9 Å²	136.9	74%	0.738	74%	0.743	S	S	*	*			trans	-74.4	141.7	151.4	-88.5	-43.5	0	0	0	108.8
434	M	27.7	Very low	30.2	Very low	169 Å²	169	141 Å²	141	83%	0.833	75%	0.75	S	S	*	*			trans	37.4	112.4	146.2	-56.2	-172.3	75.3	0	0	117.5	P436	M434-P436 WeakPolarHBondContact O-CD 3.47Å
435	V	29.8	Very low	29.9	Very low	140 Å²	140	142.6 Å²	142.6	85%	0.848	75%	0.753	S	S	*	*			trans	-86.2	112.1	160	178.4	0	0	0	0	109.1
436	P	29.1	Very low	29.9	Very low	112 Å²	112	143.1 Å²	143.1	73%	0.727	75%	0.753	S	S	*	*			trans	-87.1	146.6	150.9	34.4	-30.1	0	0	0	109.7	M434	M434-P436 WeakPolarHBondContact O-CD 3.47Å
437	G	27.1	Very low	30.1	Very low	68 Å²	68	139.9 Å²	139.9	70%	0.701	75%	0.745	S	S	*	*			trans	-77	-172	-174	0	0	0	0	0	117
438	S	31.7	Very low	30.3	Very low	102 Å²	102	143.8 Å²	143.8	71%	0.713	76%	0.756	S	S	*	*			trans	86.5	139.1	180	104	0	0	0	0	113.5
439	Q	31.9	Very low	30.6	Very low	169 Å²	169	144 Å²	144	79%	0.79	76%	0.758	S	S	*	*			cis	-172.6	148.9	33.6	-134.9	168.7	81.3	0	0	105.6
440	V	29.9	Very low	30.6	Very low	98 Å²	98	138.4 Å²	138.4	59%	0.594	76%	0.755	S	S	*	*				173.9	135.8	75.4	169.8	0	0	0	0	107.6
441	Y	30.8	Very low	30.7	Very low	205 Å²	205	142.7 Å²	142.7	80%	0.804	77%	0.77	S	S	*	*				-176.2	116	120.3	-92	-62.2	0	0	0	112.5
442	H	30.7	Very low	30.8	Very low	170 Å²	170	138.6 Å²	138.6	79%	0.787	76%	0.761	S	S	*	*			trans	51.6	110.6	152.2	-71.1	-60.5	0	0	0	121.9
443	A	29.3	Very low	31	Very low	84 Å²	84	140.7 Å²	140.7	69%	0.694	77%	0.767	S	S	*	*				150	142	92.2	0	0	0	0	0	113.7
444	F	31.6	Very low	31	Very low	209 Å²	209	142 Å²	142	92%	0.917	77%	0.774	S	S	*	*			trans	92	109.5	166.8	-69.6	-78.9	0	0	0	120.4
445	E	26.9	Very low	31.3	Very low	179 Å²	179	138.6 Å²	138.6	84%	0.836	76%	0.764	S	S	*	*			trans	-69.6	144.1	174	-59.7	165.8	131.3	0	0	113.5
446	K	32.6	Very low	31.3	Very low	187 Å²	187	139 Å²	139	81%	0.813	76%	0.761	S	S	*	*				174.2	119.9	108	-98.3	179.9	177.3	178.1	0	113.9
447	S	33.9	Very low	31.6	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	77%	0.769	S	S	*	*			trans	34.4	142.7	134.3	70.5	0	0	0	0	120.8
448	E	34.2	Very low	31.7	Very low	160 Å²	160	141.8 Å²	141.8	75%	0.748	77%	0.767	S	S	*	*			cis	174.9	157.4	-11.6	-144.1	-178	-148.3	0	0	105.9
449	N	35.1	Very low	31.7	Very low	141 Å²	141	143.5 Å²	143.5	75%	0.754	77%	0.768	S	S	*	*			trans	96.4	116.5	148.9	-61	-32.6	0	0	0	123.1
450	G	33.9	Very low	31.6	Very low	64 Å²	64	142.3 Å²	142.3	66%	0.66	77%	0.766	S	S	*	*			trans	118.5	87.9	132.9	0	0	0	0	0	115.5
451	L	30.1	Very low	31.7	Very low	174 Å²	174	148.2 Å²	148.2	91%	0.911	78%	0.779	S	S	*	*				54.9	131.6	96.4	-69.6	165.1	0	0	0	113.4
452	S	30.3	Very low	31.8	Very low	90 Å²	90	142.4 Å²	142.4	63%	0.629	77%	0.773	S	S	*	*			cis	180	159.7	7.5	44.9	0	0	0	0	108.5
453	E	34.7	Very low	31.7	Very low	191 Å²	191	142.1 Å²	142.1	89%	0.893	78%	0.777	S	S	*	*			trans	88.9	105.1	151.4	-71.3	171.7	-162.8	0	0	122.3
454	L	28.9	Very low	31.8	Very low	166 Å²	166	143.2 Å²	143.2	87%	0.869	78%	0.78	S	S	*	*			trans	-52.1	-173.5	154.1	-80.5	159.8	0	0	0	115.1
455	P	35.9	Very low	31.6	Very low	97 Å²	97	144.7 Å²	144.7	63%	0.63	78%	0.78	S	S	*	*			cis	-139.8	175.7	-22.5	25.6	-2.6	0	0	0	115.8
456	N	29.4	Very low	32	Very low	148 Å²	148	143.5 Å²	143.5	79%	0.791	78%	0.779	S	S	*	*			trans	61.6	117.9	144.5	-70.4	-9.7	0	0	0	120.9
457	T	34.4	Very low	31.8	Very low	144 Å²	144	145 Å²	145	88%	0.883	78%	0.78	S	S	*	*				-169.5	146.2	116.6	23.2	0	0	0	0	111.5
458	S	28.8	Very low	31.9	Very low	95 Å²	95	147.4 Å²	147.4	66%	0.664	78%	0.783	S	S	*	*			trans	-52.7	150.6	179.3	49.3	0	0	0	0	117.4
459	N	33.2	Very low	31.7	Very low	139 Å²	139	146.7 Å²	146.7	74%	0.743	78%	0.784	S	S	*	*			trans	166.7	112.5	134.5	-81.6	-25.4	0	0	0	108.8
460	I	29.1	Very low	31.7	Very low	144 Å²	144	147.4 Å²	147.4	74%	0.738	79%	0.788	S	S	*	*				47.4	119	96.7	-56.3	175.6	0	0	0	113.5
461	Y	33.1	Very low	31.6	Very low	222 Å²	222	148.6 Å²	148.6	87%	0.871	79%	0.792	S	S	*	*			trans	156.1	100.7	147.5	-91	-73.8	0	0	0	107.4
462	A	31.7	Very low	31.8	Very low	82 Å²	82	148.3 Å²	148.3	68%	0.678	79%	0.79	S	S	*	*				60.8	108.8	85.1	0	0	0	0	0	115
463	N	29.5	Very low	31.9	Very low	164 Å²	164	149.2 Å²	149.2	88%	0.877	79%	0.794	S	S	*	*			trans	32.9	119.9	144.5	-60.8	-15.2	0	0	0	119.8
464	S	31.5	Very low	31.6	Very low	108 Å²	108	147.3 Å²	147.3	76%	0.755	80%	0.795	S	S	*	*			trans	-155.1	115.4	143.3	-169.1	0	0	0	0	110.4
465	W	27.7	Very low	31.8	Very low	240 Å²	240	144.2 Å²	144.2	91%	0.909	79%	0.788	S	S	*	*			trans	-61.2	135	157.9	-76.6	74.1	0	0	0	108.7
466	D	34.6	Very low	31.6	Very low	153 Å²	153	148.7 Å²	148.7	82%	0.818	80%	0.8	S	S	*	*			trans	-154	136.2	147.1	-100.1	-32.7	0	0	0	112.1
467	R	29.1	Very low	31.7	Very low	218 Å²	218	149.5 Å²	149.5	82%	0.823	80%	0.803	S	S	*	*			trans	-74.9	144.4	-174.4	-51.4	168.9	-164.5	-173.4	0.9	110.2
468	I	34.3	Very low	31.6	Very low	155 Å²	155	151.4 Å²	151.4	80%	0.795	80%	0.802	S	S	*	*			trans	-139.1	108.7	139.4	-61.1	-174.9	0	0	0	108.2
469	N	30.7	Very low	31.9	Very low	145 Å²	145	152.3 Å²	152.3	78%	0.775	81%	0.805	S	S	*	*			trans	-71.1	128.5	158.1	-78.6	-43.4	0	0	0	107.6
470	D	35.4	Very low	31.8	Very low	156 Å²	156	155.4 Å²	155.4	83%	0.834	81%	0.813	S	S	*	*			trans	-136.4	113.6	151.2	-89.1	-38	0	0	0	109
471	A	32	Very low	31.7	Very low	89 Å²	89	156.4 Å²	156.4	74%	0.736	82%	0.818	S	S	*	*			trans	-81.7	151	174.6	0	0	0	0	0	110.6
472	L	33.1	Very low	31.5	Very low	169 Å²	169	150.9 Å²	150.9	89%	0.885	81%	0.812	S	S	*	*			trans	-176.1	155	149.8	-99.8	157.7	0	0	0	109
473	P	33.8	Very low	31.5	Very low	109 Å²	109	151.9 Å²	151.9	71%	0.708	81%	0.814	S	S	*	*				-122.5	166.4	-98.9	39.2	-27	0	0	0	115.2
474	T	27.8	Very low	31.5	Very low	150 Å²	150	155.5 Å²	155.5	92%	0.92	82%	0.817	S	S	*	*			trans	-53.5	122.8	173.9	-25.7	0	0	0	0	113.9
475	S	32.8	Very low	31.4	Very low	101 Å²	101	159.8 Å²	159.8	71%	0.706	83%	0.825	S	S	*	*			trans	-163.4	139.4	143.2	64.6	0	0	0	0	111
476	Q	31.8	Very low	31.7	Very low	191 Å²	191	153.3 Å²	153.3	89%	0.893	82%	0.817	S	S	*	*			trans	96.6	75.6	166.3	-48.2	-156.7	2	0	0	117
477	I	30.9	Very low	31.6	Very low	165 Å²	165	150.6 Å²	150.6	85%	0.846	81%	0.81	S	S	*	*			trans	-90.5	122.6	143.8	-66.1	169.1	0	0	0	106.1
478	E	31.8	Very low	32	Very low	185 Å²	185	149.3 Å²	149.3	86%	0.864	81%	0.81	S	S	*	*			trans	-152.1	144.2	140.8	-85.7	-148.9	164.9	0	0	110.5
479	P	35.9	Very low	31.9	Very low	113 Å²	113	150.7 Å²	150.7	73%	0.734	81%	0.811	S	S	*	*			trans	-91	139.5	-170.5	35.1	-31.6	0	0	0	112.6	L481	P479-L481 PolarHBondContact O-N 2.92Å
480	F	31.4	Very low	32.1	Very low	205 Å²	205	151 Å²	151	90%	0.899	81%	0.812	S	S	*	*			trans	-92.7	98.3	173.7	-120.4	-90.4	0	0	0	110.9
481	L	27.7	Very low	31.9	Very low	164 Å²	164	148.4 Å²	148.4	86%	0.859	81%	0.806	S	S	*	*			trans	-133.6	145.9	155.8	-88.8	170.6	0	0	0	108.6	P479	P479-L481 PolarHBondContact O-N 2.92Å
482	S	28.2	Very low	32	Very low	106 Å²	106	152.2 Å²	152.2	74%	0.741	81%	0.813	S	S	*	*			trans	86.6	131.1	-166.2	83.7	0	0	0	0	112.9
483	S	31.7	Very low	32	Very low	103 Å²	103	151.6 Å²	151.6	72%	0.72	81%	0.809	S	S	*	*			cis	-160.2	133.7	31.3	53.9	0	0	0	0	111
484	Y	29.8	Very low	31.8	Very low	241 Å²	241	151 Å²	151	95%	0.945	81%	0.808	S	S	*	*			trans	-143.6	85.9	151.9	-115.9	-87.3	0	0	0	108.3
485	E	29.1	Very low	32	Very low	197 Å²	197	150.8 Å²	150.8	92%	0.921	81%	0.806	S	S	*	*			trans	-105.2	124.4	164	-108.7	-169.5	166.9	0	0	108.4
486	S	33.3	Very low	31.9	Very low	105 Å²	105	154.2 Å²	154.2	73%	0.734	82%	0.816	S	S	*	*			trans	-158.6	97.3	156.3	165.4	0	0	0	0	111
487	S	33.6	Very low	32.2	Very low	96 Å²	96	150.4 Å²	150.4	67%	0.671	81%	0.808	S	S	*	*			trans	97.8	124.5	134.8	87.5	0	0	0	0	120.4
488	K	36.2	Very low	32.3	Very low	191 Å²	191	149.7 Å²	149.7	83%	0.83	81%	0.811	S	S	*	*			trans	102.2	84.6	147.4	-65.7	179.8	-179.3	174.8	0	119.9
489	K	33.3	Very low	32.4	Very low	184 Å²	184	145 Å²	145	80%	0.8	80%	0.799	S	S	*	*				68.7	127.4	114	-84.3	-173.3	176.9	-178.7	0	121.8
490	N	33.7	Very low	32.5	Very low	151 Å²	151	147.9 Å²	147.9	81%	0.807	80%	0.802	S	S	*	*			trans	86.3	134.1	151.5	-56.7	-13.2	0	0	0	116.1
491	S	31.4	Very low	32.5	Very low	102 Å²	102	143 Å²	143	71%	0.713	79%	0.793	S	S	*	*			cis	153	111	-11.9	148.1	0	0	0	0	104.8
492	I	35.3	Very low	32.8	Very low	169 Å²	169	141 Å²	141	87%	0.867	79%	0.788	S	S	*	*			trans	-153.1	105.2	147.9	-57	-170.7	0	0	0	110.8
493	L	32	Very low	33	Very low	156 Å²	156	141.7 Å²	141.7	82%	0.817	79%	0.787	S	S	*	*			trans	41.3	110.2	138.7	-123.8	74.9	0	0	0	124.4
494	S	29.5	Very low	33.2	Very low	96 Å²	96	141.8 Å²	141.8	67%	0.671	79%	0.786	S	S	*	*			trans	36.2	133.5	130	76	0	0	0	0	123.8
495	T	33.1	Very low	33.3	Very low	146 Å²	146	137.4 Å²	137.4	90%	0.896	78%	0.779	S	S	*	*				-157.3	141.9	118.6	33.1	0	0	0	0	110.8
496	L	30.5	Very low	33.4	Very low	172 Å²	172	138 Å²	138	90%	0.901	78%	0.779	S	S	*	*			trans	-92.9	154.1	-176.3	-106	118.7	0	0	0	112.8
497	P	37.6	Very low	33.1	Very low	111 Å²	111	144 Å²	144	72%	0.721	79%	0.787	S	S	*	*			trans	-110.7	168	-175.8	40.4	-30.4	0	0	0	114.4
498	T	33.9	Very low	33.1	Very low	150 Å²	150	144.7 Å²	144.7	92%	0.92	79%	0.789	S	S	*	*			trans	-145.2	151.6	158.4	38.6	0	0	0	0	111.3
499	S	34.2	Very low	32.8	Very low	87 Å²	87	142.9 Å²	142.9	61%	0.608	79%	0.789	S	S	*	*			trans	-119.4	171.3	-153.1	45.1	0	0	0	0	114.7
500	H	36.5	Very low	32.8	Very low	174 Å²	174	141.7 Å²	141.7	81%	0.806	79%	0.791	S	S	*	*			trans	85.5	139.7	160.2	-50.6	-59.6	0	0	0	117.1
501	S	31.8	Very low	32.6	Very low	101 Å²	101	142.1 Å²	142.1	71%	0.706	79%	0.793	S	S	*	*			cis	-178.9	161.6	-2.7	49.5	0	0	0	0	110.8
502	V	35.1	Very low	32.6	Very low	123 Å²	123	144.4 Å²	144.4	75%	0.745	80%	0.796	S	S	*	*			trans	81	102.5	152.3	-160.2	0	0	0	0	123
503	T	31	Very low	32.2	Very low	120 Å²	120	141.4 Å²	141.4	74%	0.736	79%	0.79	S	S	*	*			trans	6.4	171.5	138.1	56.2	0	0	0	0	124
504	P	36.5	Very low	32.3	Very low	106 Å²	106	141.5 Å²	141.5	69%	0.688	79%	0.786	S	S	*	*			cis	-139.3	176	-41.8	39.3	-20.8	0	0	0	115.6
505	N	32.4	Very low	32.2	Very low	148 Å²	148	142.5 Å²	142.5	79%	0.791	79%	0.788	S	S	*	*			trans	67	100.8	158.7	-69.7	-8.4	0	0	0	121.4
506	F	31	Very low	32.1	Very low	211 Å²	211	144.1 Å²	144.1	93%	0.925	79%	0.79	S	S	*	*			trans	-157.3	124	143.7	-105.8	-85.5	0	0	0	108.9
507	Y	27.6	Very low	31.9	Very low	229 Å²	229	139.7 Å²	139.7	90%	0.898	79%	0.785	S	S	*	*			trans	-70	137.3	160.4	-87.1	-93.1	0	0	0	107.9
508	P	32.8	Very low	31.5	Very low	112 Å²	112	139.9 Å²	139.9	73%	0.727	79%	0.789	S	S	*	*				-150	173.1	93.1	35.6	-15.5	0	0	0	115.2
509	D	29	Very low	31.2	Very low	153 Å²	153	138.4 Å²	138.4	82%	0.818	79%	0.785	S	S	*	*			trans	-30.8	131.9	176	-61.4	-51.4	0	0	0	116.5
510	N	35	Very low	31.1	Very low	159 Å²	159	141.1 Å²	141.1	85%	0.85	80%	0.797	S	S	*	*			trans	-160	133	147.7	-100.7	-31.8	0	0	0	112.4	I512	N510-I512 PolarHBondContact O-N 3.35Å
511	N	29.4	Very low	30.7	Very low	160 Å²	160	137.9 Å²	137.9	86%	0.856	79%	0.794	S	S	*	*			trans	-41.2	122.9	170.1	-73.8	-45.3	0	0	0	113.4
512	I	31.6	Very low	30.6	Very low	150 Å²	150	141 Å²	141	77%	0.769	80%	0.803	S	S	*	*			trans	-132.3	93.7	149.9	-58.9	-178.8	0	0	0	107.5	N510 H514	N510-I512 PolarHBondContact O-N 3.35Å; I512-H514 HydrophobicContact CG2-CB 4.43Å; I512-H514 PolarHBondContact O-N 3.12Å
513	S	26.9	Very low	30.4	Very low	106 Å²	106	143.3 Å²	143.3	74%	0.741	81%	0.81	S	S	*	*			trans	-66.6	105.6	156.8	52.7	0	0	0	0	108.7
514	H	33	Very low	30.4	Very low	158 Å²	158	145.1 Å²	145.1	73%	0.731	82%	0.815	S	S	*	*			trans	-151.1	106.1	157.1	-89.4	-62.7	0	0	0	110.2	I512	I512-H514 HydrophobicContact CG2-CB 4.43Å; I512-H514 PolarHBondContact O-N 3.12Å
515	T	28.3	Very low	30.3	Very low	117 Å²	117	147.3 Å²	147.3	72%	0.718	82%	0.821	S	S	*	*	S	Bend	trans	59.7	93.5	133.4	-25.7	0	0	0	0	117.5
516	I	30.4	Very low	30.2	Very low	180 Å²	180	146.7 Å²	146.7	92%	0.923	82%	0.822	S	S	*	*				177.2	89.6	126.9	-80.8	147.9	0	0	0	104.6
517	G	26.1	Very low	30.4	Very low	79 Å²	79	140.6 Å²	140.6	81%	0.814	81%	0.811	S	S	*	*			trans	-178.2	62.5	-173.1	0	0	0	0	0	109.4
518	S	28.4	Very low	30.5	Very low	114 Å²	114	139.8 Å²	139.8	80%	0.797	82%	0.816	S	S	*	*			trans	-167.8	85.4	166.3	66.3	0	0	0	0	111.3
519	S	28.8	Very low	30.8	Very low	119 Å²	119	140 Å²	140	83%	0.832	82%	0.815	S	S	*	*			trans	-159.8	47.9	148.6	65.7	0	0	0	0	110.7
520	V	31.2	Very low	31.2	Very low	144 Å²	144	141.7 Å²	141.7	87%	0.873	82%	0.818	S	S	*	*	S	Bend	trans	-134.5	80.6	160.3	-179.1	0	0	0	0	105.2
521	S	29	Very low	31.7	Very low	106 Å²	106	138.4 Å²	138.4	74%	0.741	80%	0.8	S	S	*	*			trans	166.3	59.4	169.1	41.4	0	0	0	0	110.2
522	L	28.6	Very low	32.5	Very low	168 Å²	168	138.7 Å²	138.7	88%	0.88	80%	0.802	S	S	*	*			trans	-145.5	51.9	168.3	-84.6	177.5	0	0	0	110.4
523	L	31.8	Very low	33.3	Very low	170 Å²	170	133 Å²	133	89%	0.89	78%	0.775	S	S	*	*			trans	-146.1	67.2	163.3	-76.1	176.3	0	0	0	107.8
524	N	31.1	Very low	35	Very low	158 Å²	158	132.6 Å²	132.6	85%	0.845	77%	0.765	S	S	*	*	S	Bend	trans	-161.8	77.1	162.2	-112.9	6.9	0	0	0	106.2
525	D	33.8	Very low	36.7	Very low	152 Å²	152	128.4 Å²	128.4	81%	0.813	75%	0.753	S	S	*	*	S	Bend	trans	176.8	125	149.2	-92.8	-24.9	0	0	0	110.7
526	T	31.3	Very low	38.4	Very low	135 Å²	135	125.3 Å²	125.3	83%	0.828	73%	0.729	S	S	*	*			trans	66.8	96.5	152.7	60.7	0	0	0	0	119
527	A	33.6	Very low	40.3	Very low	84 Å²	84	117.8 Å²	117.8	69%	0.694	69%	0.692	S	S	*	*				163.1	120	111.1	0	0	0	0	0	108.4	V529	A527-V529 VanDerWaalsContact C-N 3.32Å; A527-V529 HydrophobicContact CB-CG2 4.41Å; A527-V529 PolarHBondContact O-N 2.87Å
528	E	30.4	Very low	42.6	Very low	211 Å²	211	118.4 Å²	118.4	99%	0.986	67%	0.672	S	S	*	*			trans	-58.9	95.8	166.7	-68.6	176.4	163.4	0	0	108.7
529	V	38.5	Very low	44.9	Very low	118 Å²	118	117.4 Å²	117.4	72%	0.715	66%	0.655	S	S	*	*			trans	-106.8	116	164.7	178.9	0	0	0	0	105	A527 D531	A527-V529 VanDerWaalsContact C-N 3.32Å; A527-V529 HydrophobicContact CB-CG2 4.41Å; A527-V529 PolarHBondContact O-N 2.87Å; V529-D531 VanDerWaalsContact C-N 3.33Å; V529-D531 PolarHBondContact O-N 3.05Å
530	E	37.6	Very low	47.1	Very low	188 Å²	188	113.5 Å²	113.5	88%	0.879	62%	0.622	S	S	*	*			trans	-54.8	96.5	172	-76.1	-179.8	152.5	0	0	109.4	N532	E530-N532 PolarHBondContact O-N 2.9Å
531	D	46.2	Very low	49.4	Very low	89 Å²	89	110 Å²	110	48%	0.476	60%	0.598	S	S	.	*			trans	-83.5	92.5	177.5	178.5	15.6	0	0	0	109	V529 S533 K538	V529-D531 VanDerWaalsContact C-N 3.33Å; V529-D531 PolarHBondContact O-N 3.05Å; D531-S533 PolarHBondContact O-N 3.41Å; D531-S533 WeakPolarHBondContact OD1-CB 3.39Å; D531-S533 PolarHBondContact OD1-N 2.99Å; D531-S533 PolarHBondContact OD1-OG 3.01Å; D531-S533 PolarHBondContact OD2-OG 3.19Å; D531-K538 PolarHBondContact O-NZ 3.45Å; D531-K538 WeakPolarHBondContact OD2-CE 3.34Å; D531-K538 IonicContact OD2-NZ 3.37Å; D531-K538 PolarHBondContact OD2-NZ 3.23Å; D531-K538 VanDerWaalsContact OD2-NZ 3.11Å
532	N	45.3	Very low	51.9	Low	166 Å²	166	107.8 Å²	107.8	89%	0.888	59%	0.586	S	S	*	*			trans	-67.1	16.7	176.6	-107.9	-5.9	0	0	0	114.4	E530	E530-N532 PolarHBondContact O-N 2.9Å
533	S	50.3	Low	54.3	Low	31 Å²	31	100 Å²	100	22%	0.217	55%	0.546	C	S	.	.			trans	-76.2	127.7	168.9	55.5	0	0	0	0	110.5	D531 K538	D531-S533 PolarHBondContact O-N 3.41Å; D531-S533 WeakPolarHBondContact OD1-CB 3.39Å; D531-S533 PolarHBondContact OD1-N 2.99Å; D531-S533 PolarHBondContact OD1-OG 3.01Å; D531-S533 PolarHBondContact OD2-OG 3.19Å; S533-K538 VanDerWaalsContact O-CE 3.28Å; S533-K538 WeakPolarHBondContact O-CE 3.47Å; S533-K538 WeakPolarHBondContact OG-CE 3.34Å
534	D	62.5	Low	56.4	Low	98 Å²	98	93.4 Å²	93.4	52%	0.524	51%	0.514	S	S	.	.			trans	-59.1	147.5	179.3	-176.4	19	0	0	0	111.2	Y536 T537 K538	D534-Y536 PolarHBondContact O-N 2.86Å; D534-T537 PolarHBondContact O-N 2.82Å; D534-K538 PolarHBondContact O-N 2.89Å
535	S	68.3	Low	58.8	Low	70 Å²	70	89.8 Å²	89.8	49%	0.49	49%	0.494	S	S	.	.	H	α-helix	trans	-47.3	-38.2	179.4	-161.4	0	0	0	0	111.3	T537 K538 E539	S535-T537 VanDerWaalsContact C-N 3.33Å; S535-T537 PolarHBondContact O-N 3.48Å; S535-K538 PolarHBondContact O-N 2.96Å; S535-E539 WeakPolarHBondContact O-CB 3.04Å; S535-E539 WeakPolarHBondContact O-CG 3.32Å; S535-E539 PolarHBondContact O-N 2.84Å; S535-E539 PolarHBondContact OG-OE1 3.34Å
536	Y	62.6	Low	61.2	Low	51 Å²	51	84.8 Å²	84.8	20%	0.2	47%	0.467	C	S	.	.	H	α-helix	trans	-57.6	-41.5	179.1	-157	-100.2	0	0	0	113.8	L132 Y146 D534 Y540	L132-Y536 HydrophobicContact CD1-CD1 4.36Å; L132-Y536 HydrophobicContact CD1-CE1 3.25Å; L132-Y536 WeakPolarHBondContact CD1-OH 3.34Å; L132-Y536 HydrophobicContact CG-CE1 4.11Å; L132-Y536 WeakPolarHBondContact CG-OH 3.43Å; Y146-Y536 HydrophobicContact CD2-CD1 4.37Å; Y146-Y536 HydrophobicContact CE2-CD1 4.46Å; D534-Y536 PolarHBondContact O-N 2.86Å; Y536-Y540 VanDerWaalsContact O-CB 3.23Å; Y536-Y540 WeakPolarHBondContact O-CB 3.37Å; Y536-Y540 PolarHBondContact O-N 2.84Å; Y536-Y540 VanDerWaalsContact O-N 3.12Å
537	T	70.9	Confident	63.3	Low	23 Å²	23	80.8 Å²	80.8	14%	0.141	44%	0.44	C	S	.	.	H	α-helix	trans	-75.8	-38.3	-176.9	-56.4	0	0	0	0	110.7	D534 S535 L541	D534-T537 PolarHBondContact O-N 2.82Å; S535-T537 VanDerWaalsContact C-N 3.33Å; S535-T537 PolarHBondContact O-N 3.48Å; T537-L541 VanDerWaalsContact O-CB 3.25Å; T537-L541 WeakPolarHBondContact O-CB 3.41Å; T537-L541 PolarHBondContact O-N 3.22Å
538	K	74	Confident	65.5	Low	92 Å²	92	81.9 Å²	81.9	40%	0.4	43%	0.431	S	S	.	.	H	α-helix	trans	-65.7	-48.7	178.1	-65.6	-176	-173.6	179.3	0	111.5	D531 S533 D534 S535 L541 A542	D531-K538 PolarHBondContact O-NZ 3.45Å; D531-K538 WeakPolarHBondContact OD2-CE 3.34Å; D531-K538 IonicContact OD2-NZ 3.37Å; D531-K538 PolarHBondContact OD2-NZ 3.23Å; D531-K538 VanDerWaalsContact OD2-NZ 3.11Å; S533-K538 VanDerWaalsContact O-CE 3.28Å; S533-K538 WeakPolarHBondContact O-CE 3.47Å; S533-K538 WeakPolarHBondContact OG-CE 3.34Å; D534-K538 PolarHBondContact O-N 2.89Å; S535-K538 PolarHBondContact O-N 2.96Å; K538-L541 PolarHBondContact O-N 3.5Å; K538-A542 WeakPolarHBondContact O-CB 3.09Å; K538-A542 PolarHBondContact O-N 3.07Å
539	E	76.8	Confident	68.1	Low	93 Å²	93	77.5 Å²	77.5	44%	0.435	41%	0.41	S	S	.	.	H	α-helix	trans	-61.7	-45.2	178	-74.3	172.2	-143.9	0	0	111.6	S535 A542 A543	S535-E539 WeakPolarHBondContact O-CB 3.04Å; S535-E539 WeakPolarHBondContact O-CG 3.32Å; S535-E539 PolarHBondContact O-N 2.84Å; S535-E539 PolarHBondContact OG-OE1 3.34Å; E539-A542 PolarHBondContact O-N 2.85Å; E539-A543 WeakPolarHBondContact O-CB 3.44Å; E539-A543 PolarHBondContact O-N 2.84Å
540	Y	74.9	Confident	70	Confident	36 Å²	36	78.9 Å²	78.9	14%	0.141	40%	0.403	C	S	.	.	H	α-helix	trans	-61	-47.7	176.5	174.8	-97.5	0	0	0	112	L132 L138 H141 P142 Y536 A542 A543 S544	L132-Y540 HydrophobicContact CD1-CD2 4.46Å; L138-Y540 HydrophobicContact CD1-CD2 3.47Å; L138-Y540 VanDerWaalsContact CD1-CD2 3.47Å; L138-Y540 HydrophobicContact CD1-CE2 3.32Å; L138-Y540 HydrophobicContact CD2-CE2 3.97Å; L138-Y540 HydrophobicContact CG-CE2 4.3Å; H141-Y540 PolarHBondContact CE1-OH 3.48Å; H141-Y540 PolarHBondContact ND1-OH 3.24Å; P142-Y540 VanDerWaalsContact CD-CZ 3.4Å; P142-Y540 WeakPolarHBondContact CD-OH 3.39Å; P142-Y540 HydrophobicContact CG-CD1 4.17Å; P142-Y540 HydrophobicContact CG-CD2 3.74Å; P142-Y540 HydrophobicContact CG-CE1 3.79Å; P142-Y540 HydrophobicContact CG-CE2 3.32Å; P142-Y540 HydrophobicContact CG-CG 4.15Å; Y536-Y540 VanDerWaalsContact O-CB 3.23Å; Y536-Y540 WeakPolarHBondContact O-CB 3.37Å; Y536-Y540 PolarHBondContact O-N 2.84Å; Y536-Y540 VanDerWaalsContact O-N 3.12Å; Y540-A542 PolarHBondContact O-N 2.89Å; Y540-A543 PolarHBondContact O-N 2.81Å; Y540-S544 VanDerWaalsContact O-CB 3.29Å; Y540-S544 WeakPolarHBondContact O-CB 3.28Å; Y540-S544 PolarHBondContact O-N 3.35Å; Y540-S544 PolarHBondContact O-OG 2.85Å
541	L	80	Confident	71.8	Confident	70 Å²	70	75.7 Å²	75.7	37%	0.366	38%	0.383	S	S	.	.	H	α-helix	trans	-61	-46.3	179.8	-177	61.5	0	0	0	110.7	F376 T537 K538 S544 I545	F376-L541 HydrophobicContact CE2-CD2 4.07Å; F376-L541 HydrophobicContact CZ-CD2 4.44Å; T537-L541 VanDerWaalsContact O-CB 3.25Å; T537-L541 WeakPolarHBondContact O-CB 3.41Å; T537-L541 PolarHBondContact O-N 3.22Å; K538-L541 PolarHBondContact O-N 3.5Å; L541-S544 WeakPolarHBondContact CA-OG 3.47Å; L541-S544 PolarHBondContact O-N 3.21Å; L541-S544 PolarHBondContact O-OG 3.03Å; L541-I545 HydrophobicContact CD1-CD1 4.14Å; L541-I545 HydrophobicContact CD1-CG1 4.44Å; L541-I545 HydrophobicContact CG-CD1 3.99Å; L541-I545 WeakPolarHBondContact O-CG1 3.37Å; L541-I545 PolarHBondContact O-N 2.99Å
542	A	82.6	Confident	73.5	Confident	60 Å²	60	74.7 Å²	74.7	50%	0.496	38%	0.38	S	S	.	.	H	α-helix	trans	-58.5	-50	177.3	0	0	0	0	0	112.2	K538 E539 Y540 S544 I545 D546	K538-A542 WeakPolarHBondContact O-CB 3.09Å; K538-A542 PolarHBondContact O-N 3.07Å; E539-A542 PolarHBondContact O-N 2.85Å; Y540-A542 PolarHBondContact O-N 2.89Å; A542-S544 VanDerWaalsContact C-N 3.29Å; A542-S544 PolarHBondContact O-N 2.96Å; A542-I545 PolarHBondContact O-N 2.94Å; A542-D546 PolarHBondContact O-N 2.75Å
543	A	78.6	Confident	75.3	Confident	4 Å²	4	68.6 Å²	68.6	3%	0.033	35%	0.353	C	S	.	.	H	α-helix	trans	-64.5	-33.6	178	0	0	0	0	0	112.6	V133 G136 L138 E539 Y540 L547	V133-A543 HydrophobicContact CB-CB 4.38Å; V133-A543 HydrophobicContact CG1-CB 3.74Å; V133-A543 HydrophobicContact CG2-CB 3.66Å; G136-A543 WeakPolarHBondContact O-CB 3.3Å; L138-A543 HydrophobicContact CB-CB 4.47Å; E539-A543 WeakPolarHBondContact O-CB 3.44Å; E539-A543 PolarHBondContact O-N 2.84Å; Y540-A543 PolarHBondContact O-N 2.81Å; A543-L547 VanDerWaalsContact O-CB 3.31Å; A543-L547 WeakPolarHBondContact O-CB 3.44Å; A543-L547 PolarHBondContact O-N 3.02Å
544	S	74.7	Confident	76.7	Confident	32 Å²	32	73.5 Å²	73.5	22%	0.224	37%	0.366	C	S	.	.	H	α-helix	trans	-69.2	-37.6	177.5	76.5	0	0	0	0	112.5	Y540 L541 A542 H548	Y540-S544 VanDerWaalsContact O-CB 3.29Å; Y540-S544 WeakPolarHBondContact O-CB 3.28Å; Y540-S544 PolarHBondContact O-N 3.35Å; Y540-S544 PolarHBondContact O-OG 2.85Å; L541-S544 WeakPolarHBondContact CA-OG 3.47Å; L541-S544 PolarHBondContact O-N 3.21Å; L541-S544 PolarHBondContact O-OG 3.03Å; A542-S544 VanDerWaalsContact C-N 3.29Å; A542-S544 PolarHBondContact O-N 2.96Å; S544-H548 PolarHBondContact O-N 3.42Å; S544-H548 VanDerWaalsContact O-N 3.12Å
545	I	83.1	Confident	77.6	Confident	82 Å²	82	73.5 Å²	73.5	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-68.1	-50.6	175.4	-68.3	166.9	0	0	0	109.8	L541 A542 L547 H548 E549	L541-I545 HydrophobicContact CD1-CD1 4.14Å; L541-I545 HydrophobicContact CD1-CG1 4.44Å; L541-I545 HydrophobicContact CG-CD1 3.99Å; L541-I545 WeakPolarHBondContact O-CG1 3.37Å; L541-I545 PolarHBondContact O-N 2.99Å; A542-I545 PolarHBondContact O-N 2.94Å; I545-L547 VanDerWaalsContact C-N 3.29Å; I545-L547 PolarHBondContact O-N 3.04Å; I545-H548 WeakPolarHBondContact O-CA 3.49Å; I545-H548 WeakPolarHBondContact O-CB 3.44Å; I545-H548 PolarHBondContact O-N 3.18Å; I545-E549 HydrophobicContact CG2-CG 4.41Å; I545-E549 WeakPolarHBondContact O-CG 3.38Å; I545-E549 PolarHBondContact O-N 2.78Å
546	D	82.8	Confident	78.4	Confident	48 Å²	48	72.4 Å²	72.4	26%	0.257	36%	0.361	S	S	.	.	H	α-helix	trans	-56.3	-42.6	177.1	168	78.1	0	0	0	111.6	A542 H548 E549 R550	A542-D546 PolarHBondContact O-N 2.75Å; D546-H548 VanDerWaalsContact C-N 3.33Å; D546-H548 PolarHBondContact O-N 2.53Å; D546-E549 PolarHBondContact O-N 3.23Å; D546-R550 VanDerWaalsContact CG-NE 3.29Å; D546-R550 VanDerWaalsContact CG-NH2 3.33Å; D546-R550 VanDerWaalsContact O-CG 3.31Å; D546-R550 WeakPolarHBondContact O-CG 3.47Å; D546-R550 PolarHBondContact O-N 2.74Å; D546-R550 IonicContact OD1-CZ 2.65Å; D546-R550 IonicContact OD1-NE 2.65Å; D546-R550 PolarHBondContact OD1-NE 2.85Å; D546-R550 IonicContact OD1-NH2 3.55Å; D546-R550 PolarHBondContact OD1-NH2 2.86Å; D546-R550 IonicContact OD2-CZ 3.39Å; D546-R550 IonicContact OD2-NE 3.42Å; D546-R550 PolarHBondContact OD2-NE 2.9Å; D546-R550 IonicContact OD2-NH1 2.78Å; D546-R550 IonicContact OD2-NH2 2.78Å; D546-R550 PolarHBondContact OD2-NH2 2.87Å
547	L	76.4	Confident	79.4	Confident	50 Å²	50	76.6 Å²	76.6	26%	0.262	38%	0.376	S	S	.	.	H	α-helix	trans	-61.5	-40.3	174.8	-178.2	65.2	0	0	0	112.4	L138 A543 I545 R551	L138-L547 HydrophobicContact CB-CD2 4.39Å; L138-L547 HydrophobicContact CD2-CD2 4.25Å; A543-L547 VanDerWaalsContact O-CB 3.31Å; A543-L547 WeakPolarHBondContact O-CB 3.44Å; A543-L547 PolarHBondContact O-N 3.02Å; I545-L547 VanDerWaalsContact C-N 3.29Å; I545-L547 PolarHBondContact O-N 3.04Å; L547-R551 WeakPolarHBondContact O-CG 3.33Å; L547-R551 PolarHBondContact O-N 3.11Å; L547-R551 VanDerWaalsContact O-N 3.08Å
548	H	79.4	Confident	80	Confident	108 Å²	108	79 Å²	79	50%	0.5	39%	0.386	S	S	.	.	H	α-helix	trans	-67.1	-42.8	178.2	-171.1	76.9	0	0	0	111.6	S544 I545 D546 R551 T552	S544-H548 PolarHBondContact O-N 3.42Å; S544-H548 VanDerWaalsContact O-N 3.12Å; I545-H548 WeakPolarHBondContact O-CA 3.49Å; I545-H548 WeakPolarHBondContact O-CB 3.44Å; I545-H548 PolarHBondContact O-N 3.18Å; D546-H548 VanDerWaalsContact C-N 3.33Å; D546-H548 PolarHBondContact O-N 2.53Å; H548-R551 PolarHBondContact O-N 3.22Å; H548-T552 WeakPolarHBondContact O-CG2 3.25Å; H548-T552 PolarHBondContact O-N 2.82Å; H548-T552 PolarHBondContact O-OG1 2.84Å; H548-T552 VanDerWaalsContact O-OG1 3.1Å
549	E	84.4	Confident	80.4	Confident	118 Å²	118	77.5 Å²	77.5	55%	0.551	39%	0.39	S	S	*	.	H	α-helix	trans	-62	-42.9	175.5	-70.4	-178.1	170.4	0	0	111.9	I545 D546 R551 T552 A553	I545-E549 HydrophobicContact CG2-CG 4.41Å; I545-E549 WeakPolarHBondContact O-CG 3.38Å; I545-E549 PolarHBondContact O-N 2.78Å; D546-E549 PolarHBondContact O-N 3.23Å; E549-R551 VanDerWaalsContact C-N 3.35Å; E549-R551 PolarHBondContact O-N 2.89Å; E549-T552 WeakPolarHBondContact CA-OG1 3.26Å; E549-T552 PolarHBondContact O-N 3.43Å; E549-T552 PolarHBondContact O-OG1 3.12Å; E549-A553 VanDerWaalsContact O-CB 3.31Å; E549-A553 WeakPolarHBondContact O-CB 3.44Å; E549-A553 PolarHBondContact O-N 2.83Å
550	R	78.5	Confident	80.8	Confident	147 Å²	147	80.4 Å²	80.4	56%	0.555	40%	0.397	S	S	*	.	H	α-helix	trans	-63.2	-39.6	175.1	-69.5	175.4	-166.7	-163.3	7.6	112.4	D546 R554	D546-R550 VanDerWaalsContact CG-NE 3.29Å; D546-R550 VanDerWaalsContact CG-NH2 3.33Å; D546-R550 VanDerWaalsContact O-CG 3.31Å; D546-R550 WeakPolarHBondContact O-CG 3.47Å; D546-R550 PolarHBondContact O-N 2.74Å; D546-R550 IonicContact OD1-CZ 2.65Å; D546-R550 IonicContact OD1-NE 2.65Å; D546-R550 PolarHBondContact OD1-NE 2.85Å; D546-R550 IonicContact OD1-NH2 3.55Å; D546-R550 PolarHBondContact OD1-NH2 2.86Å; D546-R550 IonicContact OD2-CZ 3.39Å; D546-R550 IonicContact OD2-NE 3.42Å; D546-R550 PolarHBondContact OD2-NE 2.9Å; D546-R550 IonicContact OD2-NH1 2.78Å; D546-R550 IonicContact OD2-NH2 2.78Å; D546-R550 PolarHBondContact OD2-NH2 2.87Å; R550-R554 WeakPolarHBondContact O-CB 3.35Å; R550-R554 PolarHBondContact O-N 2.7Å
551	R	76.2	Confident	80.9	Confident	122 Å²	122	83.5 Å²	83.5	46%	0.46	41%	0.414	S	S	.	.	H	α-helix	trans	-66.2	-46.1	177.1	-78.1	178	177.5	-173.3	0.2	111.9	L547 H548 E549 R554 L555	L547-R551 WeakPolarHBondContact O-CG 3.33Å; L547-R551 PolarHBondContact O-N 3.11Å; L547-R551 VanDerWaalsContact O-N 3.08Å; H548-R551 PolarHBondContact O-N 3.22Å; E549-R551 VanDerWaalsContact C-N 3.35Å; E549-R551 PolarHBondContact O-N 2.89Å; R551-R554 PolarHBondContact O-N 2.81Å; R551-L555 WeakPolarHBondContact O-CG 2.94Å; R551-L555 PolarHBondContact O-N 2.72Å
552	T	81.8	Confident	81	Confident	67 Å²	67	89 Å²	89	41%	0.411	43%	0.43	S	S	.	.	H	α-helix	trans	-63.8	-41.7	177.5	52.8	0	0	0	0	111.3	H548 E549 R554 L555 A556	H548-T552 WeakPolarHBondContact O-CG2 3.25Å; H548-T552 PolarHBondContact O-N 2.82Å; H548-T552 PolarHBondContact O-OG1 2.84Å; H548-T552 VanDerWaalsContact O-OG1 3.1Å; E549-T552 WeakPolarHBondContact CA-OG1 3.26Å; E549-T552 PolarHBondContact O-N 3.43Å; E549-T552 PolarHBondContact O-OG1 3.12Å; T552-R554 PolarHBondContact O-N 3.17Å; T552-L555 PolarHBondContact O-N 3.12Å; T552-A556 WeakPolarHBondContact O-CB 3.33Å; T552-A556 PolarHBondContact O-N 3.28Å
553	A	83.1	Confident	81.1	Confident	39 Å²	39	88.8 Å²	88.8	32%	0.322	43%	0.429	S	S	.	.	H	α-helix	trans	-61.1	-40.8	173.8	0	0	0	0	0	112.8	E549 A556 R557	E549-A553 VanDerWaalsContact O-CB 3.31Å; E549-A553 WeakPolarHBondContact O-CB 3.44Å; E549-A553 PolarHBondContact O-N 2.83Å; A553-A556 PolarHBondContact O-N 2.94Å; A553-R557 WeakPolarHBondContact O-CG 3.28Å; A553-R557 PolarHBondContact O-N 3.37Å
554	R	78.9	Confident	81.3	Confident	133 Å²	133	94.3 Å²	94.3	50%	0.502	45%	0.454	S	S	.	.	H	α-helix	trans	-64	-45.6	175.5	-170.4	-176.2	74.6	111.9	1.9	112	R550 R551 T552 A556 R557 Q558	R550-R554 WeakPolarHBondContact O-CB 3.35Å; R550-R554 PolarHBondContact O-N 2.7Å; R551-R554 PolarHBondContact O-N 2.81Å; T552-R554 PolarHBondContact O-N 3.17Å; R554-A556 VanDerWaalsContact C-N 3.33Å; R554-A556 PolarHBondContact O-N 2.84Å; R554-R557 WeakPolarHBondContact O-CB 3.35Å; R554-R557 PolarHBondContact O-N 3.37Å; R554-Q558 WeakPolarHBondContact O-CG 3.38Å; R554-Q558 PolarHBondContact O-N 2.73Å
555	L	82	Confident	81.5	Confident	99 Å²	99	96.3 Å²	96.3	52%	0.518	46%	0.461	S	S	.	.	H	α-helix	trans	-62.1	-40.8	176.7	-71.1	172	0	0	0	111.4	R551 T552 R557 Q558 A559	R551-L555 WeakPolarHBondContact O-CG 2.94Å; R551-L555 PolarHBondContact O-N 2.72Å; T552-L555 PolarHBondContact O-N 3.12Å; L555-R557 PolarHBondContact O-N 2.97Å; L555-Q558 PolarHBondContact O-N 3.35Å; L555-A559 WeakPolarHBondContact O-CB 3.4Å; L555-A559 PolarHBondContact O-N 2.98Å
556	A	85.4	Confident	81.3	Confident	46 Å²	46	96.3 Å²	96.3	38%	0.38	46%	0.459	S	S	.	.	H	α-helix	trans	-63.2	-39	174.4	0	0	0	0	0	112.6	T552 A553 R554 A559 R560	T552-A556 WeakPolarHBondContact O-CB 3.33Å; T552-A556 PolarHBondContact O-N 3.28Å; A553-A556 PolarHBondContact O-N 2.94Å; R554-A556 VanDerWaalsContact C-N 3.33Å; R554-A556 PolarHBondContact O-N 2.84Å; A556-A559 PolarHBondContact O-N 2.78Å; A556-R560 WeakPolarHBondContact O-CG 3.47Å; A556-R560 PolarHBondContact O-N 3.21Å
557	R	83.1	Confident	81.3	Confident	140 Å²	140	97.5 Å²	97.5	53%	0.528	47%	0.468	S	S	.	.	H	α-helix	trans	-61.9	-46.1	172.3	-75.2	-168.7	-65.9	-91	6.8	111.7	A553 R554 L555 A559 R560 M561	A553-R557 WeakPolarHBondContact O-CG 3.28Å; A553-R557 PolarHBondContact O-N 3.37Å; R554-R557 WeakPolarHBondContact O-CB 3.35Å; R554-R557 PolarHBondContact O-N 3.37Å; L555-R557 PolarHBondContact O-N 2.97Å; R557-A559 PolarHBondContact O-N 3.1Å; R557-R560 PolarHBondContact O-N 3.33Å; R557-M561 PolarHBondContact O-N 3.14Å
558	Q	82.5	Confident	81.1	Confident	74 Å²	74	100.2 Å²	100.2	35%	0.346	48%	0.481	S	S	.	.	H	α-helix	trans	-62.1	-41.4	177.2	-71.7	-179.7	-24.4	0	0	112.2	R554 L555 M561 R562	R554-Q558 WeakPolarHBondContact O-CG 3.38Å; R554-Q558 PolarHBondContact O-N 2.73Å; L555-Q558 PolarHBondContact O-N 3.35Å; Q558-M561 PolarHBondContact O-N 3.26Å; Q558-R562 WeakPolarHBondContact O-CG 3.26Å; Q558-R562 PolarHBondContact O-N 3Å
559	A	83.1	Confident	80.9	Confident	59 Å²	59	100.3 Å²	100.3	49%	0.488	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-43	175.4	0	0	0	0	0	112.2	L555 A556 R557 R562 A563	L555-A559 WeakPolarHBondContact O-CB 3.4Å; L555-A559 PolarHBondContact O-N 2.98Å; A556-A559 PolarHBondContact O-N 2.78Å; R557-A559 PolarHBondContact O-N 3.1Å; A559-R562 PolarHBondContact O-N 3.1Å; A559-A563 WeakPolarHBondContact O-CB 3.07Å; A559-A563 PolarHBondContact O-N 3.14Å
560	R	86.1	Confident	80.6	Confident	155 Å²	155	98.8 Å²	98.8	59%	0.585	47%	0.471	S	S	*	.	H	α-helix	trans	-62.9	-43.1	174.8	-75.2	-173.1	-69.3	-130.9	0.8	112.4	A556 R557 A563 Q564	A556-R560 WeakPolarHBondContact O-CG 3.47Å; A556-R560 PolarHBondContact O-N 3.21Å; R557-R560 PolarHBondContact O-N 3.33Å; R560-A563 PolarHBondContact O-N 2.67Å; R560-Q564 WeakPolarHBondContact O-CG 3.39Å; R560-Q564 PolarHBondContact O-N 3.33Å
561	M	77.1	Confident	80.5	Confident	100 Å²	100	99.3 Å²	99.3	49%	0.493	47%	0.473	S	S	.	.	H	α-helix	trans	-63.2	-43.7	177.3	-168.9	-177.4	-172.7	0	0	111.2	R557 Q558 A563 Q564 I565	R557-M561 PolarHBondContact O-N 3.14Å; Q558-M561 PolarHBondContact O-N 3.26Å; M561-A563 PolarHBondContact O-N 2.75Å; M561-Q564 PolarHBondContact O-N 2.87Å; M561-I565 HydrophobicContact CG-CD1 4.17Å; M561-I565 VanDerWaalsContact O-CG1 3.29Å; M561-I565 WeakPolarHBondContact O-CG1 3.08Å; M561-I565 PolarHBondContact O-N 2.86Å
562	R	81.7	Confident	80	Confident	185 Å²	185	97.4 Å²	97.4	70%	0.698	47%	0.47	S	S	*	.	H	α-helix	trans	-59.5	-44.3	173.5	-74.2	177	-179.6	178.5	-0.7	111.9	Q558 A559 Q564 I565 E566	Q558-R562 WeakPolarHBondContact O-CG 3.26Å; Q558-R562 PolarHBondContact O-N 3Å; A559-R562 PolarHBondContact O-N 3.1Å; R562-Q564 PolarHBondContact O-N 2.79Å; R562-I565 PolarHBondContact O-N 3.31Å; R562-E566 PolarHBondContact O-N 3.35Å
563	A	84.8	Confident	79.5	Confident	57 Å²	57	101.1 Å²	101.1	47%	0.471	48%	0.476	S	S	.	.	H	α-helix	trans	-63.1	-41	176.5	0	0	0	0	0	112.3	A559 R560 M561 E566 V567	A559-A563 WeakPolarHBondContact O-CB 3.07Å; A559-A563 PolarHBondContact O-N 3.14Å; R560-A563 PolarHBondContact O-N 2.67Å; M561-A563 PolarHBondContact O-N 2.75Å; A563-E566 PolarHBondContact O-N 2.84Å; A563-V567 WeakPolarHBondContact O-CG2 3.42Å; A563-V567 PolarHBondContact O-N 3.29Å
564	Q	81.3	Confident	78.9	Confident	120 Å²	120	106.5 Å²	106.5	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-64.8	-42.8	175.1	-77.6	-176.9	-20.4	0	0	112.5	R560 M561 R562 E566 V567 M568	R560-Q564 WeakPolarHBondContact O-CG 3.39Å; R560-Q564 PolarHBondContact O-N 3.33Å; M561-Q564 PolarHBondContact O-N 2.87Å; R562-Q564 PolarHBondContact O-N 2.79Å; Q564-E566 VanDerWaalsContact C-N 3.3Å; Q564-E566 PolarHBondContact O-N 2.81Å; Q564-V567 PolarHBondContact O-N 3.23Å; Q564-M568 WeakPolarHBondContact O-CB 3.42Å; Q564-M568 PolarHBondContact O-N 2.77Å
565	I	78.9	Confident	78.1	Confident	73 Å²	73	104 Å²	104	37%	0.374	49%	0.494	S	S	.	.	H	α-helix	trans	-59.6	-42.7	174.7	-70.2	166.5	0	0	0	110.2	M561 R562 M568 R569	M561-I565 HydrophobicContact CG-CD1 4.17Å; M561-I565 VanDerWaalsContact O-CG1 3.29Å; M561-I565 WeakPolarHBondContact O-CG1 3.08Å; M561-I565 PolarHBondContact O-N 2.86Å; R562-I565 PolarHBondContact O-N 3.31Å; I565-M568 WeakPolarHBondContact O-CB 3.07Å; I565-M568 PolarHBondContact O-N 3.08Å; I565-R569 HydrophobicContact CG2-CG 4.44Å; I565-R569 WeakPolarHBondContact O-CB 3.27Å; I565-R569 WeakPolarHBondContact O-CG 3.34Å; I565-R569 PolarHBondContact O-N 3.24Å
566	E	80.6	Confident	76.9	Confident	82 Å²	82	103.9 Å²	103.9	38%	0.383	50%	0.495	S	S	.	.	H	α-helix	trans	-68	-39.6	179.2	-167.2	53.9	-144.9	0	0	112.3	R562 A563 Q564 M568 R569 M570 R573	R562-E566 PolarHBondContact O-N 3.35Å; A563-E566 PolarHBondContact O-N 2.84Å; Q564-E566 VanDerWaalsContact C-N 3.3Å; Q564-E566 PolarHBondContact O-N 2.81Å; E566-M568 VanDerWaalsContact C-N 3.32Å; E566-M568 PolarHBondContact O-N 3.3Å; E566-R569 PolarHBondContact O-N 3.41Å; E566-M570 WeakPolarHBondContact O-CB 3.41Å; E566-M570 WeakPolarHBondContact O-CG 3.16Å; E566-M570 PolarHBondContact O-N 2.68Å; E566-R573 IonicContact OE1-NH2 3.38Å; E566-R573 PolarHBondContact OE1-NH2 3.46Å
567	V	83.1	Confident	75.2	Confident	73 Å²	73	105 Å²	105	44%	0.442	49%	0.493	S	S	.	.	H	α-helix	trans	-61.2	-41.7	171.6	171.3	0	0	0	0	111.2	A563 Q564 M570 R571	A563-V567 WeakPolarHBondContact O-CG2 3.42Å; A563-V567 PolarHBondContact O-N 3.29Å; Q564-V567 PolarHBondContact O-N 3.23Å; V567-M570 PolarHBondContact O-N 2.78Å; V567-R571 PolarHBondContact O-N 3.24Å
568	M	72.2	Confident	73.6	Confident	107 Å²	107	103.5 Å²	103.5	53%	0.527	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-45.5	176.3	-165.2	83.1	173	0	0	110.9	Q564 I565 E566 M570 R571 M572	Q564-M568 WeakPolarHBondContact O-CB 3.42Å; Q564-M568 PolarHBondContact O-N 2.77Å; I565-M568 WeakPolarHBondContact O-CB 3.07Å; I565-M568 PolarHBondContact O-N 3.08Å; E566-M568 VanDerWaalsContact C-N 3.32Å; E566-M568 PolarHBondContact O-N 3.3Å; M568-M570 VanDerWaalsContact C-N 3.34Å; M568-M570 PolarHBondContact O-N 3.04Å; M568-R571 PolarHBondContact O-N 3.19Å; M568-M572 HydrophobicContact CE-CE 3.99Å; M568-M572 HydrophobicContact CG-CE 3.94Å; M568-M572 WeakPolarHBondContact O-CB 3.38Å; M568-M572 VanDerWaalsContact O-CG 3.3Å; M568-M572 WeakPolarHBondContact O-CG 3.07Å; M568-M572 PolarHBondContact O-N 3.33Å
569	R	74.1	Confident	72	Confident	111 Å²	111	110.3 Å²	110.3	42%	0.419	52%	0.522	S	S	.	.	H	α-helix	trans	-61.6	-38.9	175.7	-75.6	175.6	175.1	-179.8	-3.3	112.3	I565 E566 M572 R573	I565-R569 HydrophobicContact CG2-CG 4.44Å; I565-R569 WeakPolarHBondContact O-CB 3.27Å; I565-R569 WeakPolarHBondContact O-CG 3.34Å; I565-R569 PolarHBondContact O-N 3.24Å; E566-R569 PolarHBondContact O-N 3.41Å; R569-M572 PolarHBondContact O-N 2.98Å; R569-R573 PolarHBondContact O-N 3.35Å; R569-R573 VanDerWaalsContact O-N 3.07Å
570	M	78	Confident	70.2	Confident	85 Å²	85	115 Å²	115	42%	0.419	53%	0.531	S	S	.	.	H	α-helix	trans	-65.2	-46.1	174.7	-74.4	-70	-75.4	0	0	111.7	E566 V567 M568 M572 R573 E574	E566-M570 WeakPolarHBondContact O-CB 3.41Å; E566-M570 WeakPolarHBondContact O-CG 3.16Å; E566-M570 PolarHBondContact O-N 2.68Å; V567-M570 PolarHBondContact O-N 2.78Å; M568-M570 VanDerWaalsContact C-N 3.34Å; M568-M570 PolarHBondContact O-N 3.04Å; M570-M572 VanDerWaalsContact C-N 3.34Å; M570-M572 PolarHBondContact O-N 3.42Å; M570-R573 WeakPolarHBondContact O-CB 3.47Å; M570-R573 PolarHBondContact O-N 2.96Å; M570-R573 VanDerWaalsContact O-N 3.13Å; M570-R573 PolarHBondContact SD-NH1 2.9Å; M570-R573 PolarHBondContact SD-NH2 3.17Å; M570-E574 PolarHBondContact O-N 3.34Å
571	R	76	Confident	68.4	Low	159 Å²	159	117.1 Å²	117.1	60%	0.6	54%	0.539	S	S	*	.	H	α-helix	trans	-62.2	-39.8	174.9	-72.7	-174.9	-165	169.2	5.1	112.4	V567 M568 R573 E574 T575	V567-R571 PolarHBondContact O-N 3.24Å; M568-R571 PolarHBondContact O-N 3.19Å; R571-R573 VanDerWaalsContact C-N 3.27Å; R571-R573 PolarHBondContact O-N 3.36Å; R571-E574 PolarHBondContact O-N 2.91Å; R571-T575 WeakPolarHBondContact O-CB 3.44Å; R571-T575 WeakPolarHBondContact O-CG2 3.45Å; R571-T575 PolarHBondContact O-N 2.92Å; R571-T575 PolarHBondContact O-OG1 2.85Å
572	M	66.1	Low	67.3	Low	81 Å²	81	121.9 Å²	121.9	40%	0.399	55%	0.552	S	S	.	*	H	α-helix	trans	-61.8	-35.2	175.3	-74.8	178.3	176.3	0	0	112	M568 R569 M570	M568-M572 HydrophobicContact CE-CE 3.99Å; M568-M572 HydrophobicContact CG-CE 3.94Å; M568-M572 WeakPolarHBondContact O-CB 3.38Å; M568-M572 VanDerWaalsContact O-CG 3.3Å; M568-M572 WeakPolarHBondContact O-CG 3.07Å; M568-M572 PolarHBondContact O-N 3.33Å; R569-M572 PolarHBondContact O-N 2.98Å; M570-M572 VanDerWaalsContact C-N 3.34Å; M570-M572 PolarHBondContact O-N 3.42Å
573	R	72.4	Confident	66	Low	145 Å²	145	115.7 Å²	115.7	55%	0.547	53%	0.532	S	S	.	.	H	α-helix	trans	-70	-43.7	172.9	-79.1	-176.8	-88.8	157.6	-11	112.7	E566 R569 M570 R571 T575	E566-R573 IonicContact OE1-NH2 3.38Å; E566-R573 PolarHBondContact OE1-NH2 3.46Å; R569-R573 PolarHBondContact O-N 3.35Å; R569-R573 VanDerWaalsContact O-N 3.07Å; M570-R573 WeakPolarHBondContact O-CB 3.47Å; M570-R573 PolarHBondContact O-N 2.96Å; M570-R573 VanDerWaalsContact O-N 3.13Å; M570-R573 PolarHBondContact SD-NH1 2.9Å; M570-R573 PolarHBondContact SD-NH2 3.17Å; R571-R573 VanDerWaalsContact C-N 3.27Å; R571-R573 PolarHBondContact O-N 3.36Å; R573-T575 PolarHBondContact O-N 3.26Å
574	E	70.5	Confident	64.8	Low	153 Å²	153	116.8 Å²	116.8	72%	0.715	53%	0.534	S	S	*	.	H	α-helix	trans	-67.8	-32.2	-179.7	-76.2	179.5	170.2	0	0	113.6	M570 R571 D576	M570-E574 PolarHBondContact O-N 3.34Å; R571-E574 PolarHBondContact O-N 2.91Å; E574-D576 VanDerWaalsContact C-N 3.35Å; E574-D576 PolarHBondContact O-N 3.17Å
575	T	62	Low	63.8	Low	80 Å²	80	114.9 Å²	114.9	49%	0.491	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	7.4	-173.3	49.2	0	0	0	0	114.6	R571 R573 M577	R571-T575 WeakPolarHBondContact O-CB 3.44Å; R571-T575 WeakPolarHBondContact O-CG2 3.45Å; R571-T575 PolarHBondContact O-N 2.92Å; R571-T575 PolarHBondContact O-OG1 2.85Å; R573-T575 PolarHBondContact O-N 3.26Å; T575-M577 PolarHBondContact O-N 3.41Å; T575-M577 WeakPolarHBondContact OG1-CG 3.31Å
576	D	55.6	Low	63.2	Low	97 Å²	97	118.2 Å²	118.2	52%	0.519	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	32.2	-174.2	-158.8	13.8	0	0	0	112	E574 T578 R579	E574-D576 VanDerWaalsContact C-N 3.35Å; E574-D576 PolarHBondContact O-N 3.17Å; D576-T578 PolarHBondContact O-N 3.14Å; D576-R579 PolarHBondContact O-N 2.95Å
577	M	49.3	Very low	62.5	Low	70 Å²	70	117.4 Å²	117.4	35%	0.345	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-77	-11.4	178.8	-79.4	-132.6	-59.7	0	0	111.8	T575 R579 K580 W582	T575-M577 PolarHBondContact O-N 3.41Å; T575-M577 WeakPolarHBondContact OG1-CG 3.31Å; M577-R579 PolarHBondContact O-N 2.8Å; M577-K580 PolarHBondContact O-N 3.31Å; M577-W582 HydrophobicContact CE-CZ2 4.11Å; M577-W582 HydrophobicContact SD-CZ2 4.44Å
578	T	50.2	Low	61.6	Low	108 Å²	108	118.2 Å²	118.2	66%	0.663	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-67.2	-14.2	172.6	53.7	0	0	0	0	112.8	D576	D576-T578 PolarHBondContact O-N 3.14Å
579	R	49.1	Very low	61.4	Low	216 Å²	216	119.1 Å²	119.1	82%	0.815	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-113	-3.6	176	-81.2	-172.6	178.6	-154.4	1.3	116.5	D576 M577	D576-R579 PolarHBondContact O-N 2.95Å; M577-R579 PolarHBondContact O-N 2.8Å
580	K	46.1	Very low	61.4	Low	159 Å²	159	122.4 Å²	122.4	69%	0.691	56%	0.564	S	S	*	*	S	Bend	trans	-100.8	102.9	176.3	-74.1	-178.4	-179.1	171.4	0	110.2	M577 W582	M577-K580 PolarHBondContact O-N 3.31Å; K580-W582 PolarHBondContact O-N 3.3Å
581	R	47.5	Very low	60.8	Low	198 Å²	198	120.1 Å²	120.1	75%	0.747	55%	0.553	S	S	*	*			trans	-39.5	110.1	168.4	-89	176.9	159.7	174.8	-5.2	109.8	L583	R581-L583 PolarHBondContact O-N 2.92Å; R581-L583 VanDerWaalsContact O-N 3.1Å
582	W	54.9	Low	60.2	Low	200 Å²	200	119.8 Å²	119.8	76%	0.758	55%	0.552	S	S	*	*	S	Bend	trans	-68.2	-1.9	179.1	-107.8	75.3	0	0	0	114.1	M577 K580	M577-W582 HydrophobicContact CE-CZ2 4.11Å; M577-W582 HydrophobicContact SD-CZ2 4.44Å; K580-W582 PolarHBondContact O-N 3.3Å
583	L	53.7	Low	60.5	Low	55 Å²	55	124 Å²	124	29%	0.288	56%	0.563	S	S	.	*	S	Bend	trans	-120.6	128.2	165.7	-83.7	100.9	0	0	0	111.1	R581 T585 V587 L588 V615	R581-L583 PolarHBondContact O-N 2.92Å; R581-L583 VanDerWaalsContact O-N 3.1Å; L583-T585 PolarHBondContact O-N 3.29Å; L583-V587 HydrophobicContact CD2-CB 4.14Å; L583-V587 HydrophobicContact CD2-CG1 3.82Å; L583-L588 HydrophobicContact CB-CD1 4.47Å; L583-L588 HydrophobicContact CD2-CD1 4.28Å; L583-V615 HydrophobicContact CD1-CG1 3.68Å; L583-V615 HydrophobicContact CD2-CG1 4.22Å; L583-V615 HydrophobicContact CD2-CG2 3.99Å
584	P	58.8	Low	60.5	Low	80 Å²	80	123 Å²	123	52%	0.519	56%	0.563	S	S	.	*			trans	-52.8	132.6	165.8	-22.1	31.9	0	0	0	109.6	Q586 V587	P584-Q586 PolarHBondContact O-N 2.88Å; P584-V587 HydrophobicContact CB-CG2 4.38Å; P584-V587 HydrophobicContact CG-CG2 4.42Å; P584-V587 PolarHBondContact O-N 2.79Å
585	T	59.9	Low	60.2	Low	80 Å²	80	117.2 Å²	117.2	49%	0.491	54%	0.535	S	S	.	.	H	α-helix	trans	-51.4	-25.9	179.6	-10.7	0	0	0	0	113	L583 Q589	L583-T585 PolarHBondContact O-N 3.29Å; T585-Q589 WeakPolarHBondContact O-CB 3.35Å; T585-Q589 WeakPolarHBondContact O-CG 3.4Å; T585-Q589 PolarHBondContact O-N 2.73Å; T585-Q589 VanDerWaalsContact O-N 3.09Å
586	Q	67.2	Low	60.3	Low	144 Å²	144	117 Å²	117	67%	0.673	54%	0.541	S	S	*	.	H	α-helix	trans	-65.1	-38.1	176.3	-68.3	175	-11.6	0	0	113.3	P584 Q589 Y590	P584-Q586 PolarHBondContact O-N 2.88Å; Q586-Q589 PolarHBondContact O-N 3.2Å; Q586-Y590 PolarHBondContact O-N 2.97Å
587	V	65.3	Low	61	Low	65 Å²	65	119.4 Å²	119.4	39%	0.394	55%	0.549	S	S	.	.	H	α-helix	trans	-70.5	-43.9	-179.4	-179	0	0	0	0	110.4	L583 P584 Q589 Y590 L591	L583-V587 HydrophobicContact CD2-CB 4.14Å; L583-V587 HydrophobicContact CD2-CG1 3.82Å; P584-V587 HydrophobicContact CB-CG2 4.38Å; P584-V587 HydrophobicContact CG-CG2 4.42Å; P584-V587 PolarHBondContact O-N 2.79Å; V587-Q589 VanDerWaalsContact C-N 3.31Å; V587-Q589 PolarHBondContact O-N 3.34Å; V587-Y590 PolarHBondContact O-N 3.25Å; V587-L591 HydrophobicContact CG1-CD1 4.35Å; V587-L591 PolarHBondContact O-N 3.09Å
588	L	63.9	Low	61.8	Low	89 Å²	89	118.1 Å²	118.1	47%	0.466	55%	0.547	S	S	.	.	H	α-helix	trans	-63.5	-37.7	175.7	-129.9	88	0	0	0	111.6	L583 R592	L583-L588 HydrophobicContact CB-CD1 4.47Å; L583-L588 HydrophobicContact CD2-CD1 4.28Å; L588-R592 WeakPolarHBondContact O-CB 3.37Å; L588-R592 PolarHBondContact O-N 3.02Å
589	Q	69.6	Low	62.5	Low	126 Å²	126	115.7 Å²	115.7	59%	0.589	54%	0.544	S	S	*	.	H	α-helix	trans	-64.5	-40	175	-83.8	179.2	-15.9	0	0	112.5	T585 Q586 V587 R592 R593	T585-Q589 WeakPolarHBondContact O-CB 3.35Å; T585-Q589 WeakPolarHBondContact O-CG 3.4Å; T585-Q589 PolarHBondContact O-N 2.73Å; T585-Q589 VanDerWaalsContact O-N 3.09Å; Q586-Q589 PolarHBondContact O-N 3.2Å; V587-Q589 VanDerWaalsContact C-N 3.31Å; V587-Q589 PolarHBondContact O-N 3.34Å; Q589-R592 PolarHBondContact O-N 3.5Å; Q589-R593 PolarHBondContact O-N 2.9Å
590	Y	73.6	Confident	63	Low	180 Å²	180	115.3 Å²	115.3	71%	0.706	54%	0.544	S	S	*	.	H	α-helix	trans	-65.7	-47.7	177.4	-110.4	-83.8	0	0	0	112.2	Q586 V587 R592 R593 F594	Q586-Y590 PolarHBondContact O-N 2.97Å; V587-Y590 PolarHBondContact O-N 3.25Å; Y590-R592 VanDerWaalsContact C-N 3.31Å; Y590-R592 PolarHBondContact O-N 3.33Å; Y590-R593 PolarHBondContact O-N 2.89Å; Y590-F594 WeakPolarHBondContact O-CB 3.23Å; Y590-F594 PolarHBondContact O-N 2.89Å
591	L	65	Low	63.8	Low	37 Å²	37	109.5 Å²	109.5	19%	0.194	52%	0.522	C	S	.	.	H	α-helix	trans	-62.3	-40.5	176.6	-71.4	170.4	0	0	0	111.3	V587 R593 F594 Y595 V615	V587-L591 HydrophobicContact CG1-CD1 4.35Å; V587-L591 PolarHBondContact O-N 3.09Å; L591-R593 PolarHBondContact O-N 3.33Å; L591-F594 PolarHBondContact O-N 2.84Å; L591-Y595 VanDerWaalsContact O-CD2 3.24Å; L591-Y595 WeakPolarHBondContact O-CD2 3.3Å; L591-Y595 PolarHBondContact O-N 2.67Å; L591-V615 HydrophobicContact CD1-CG2 3.89Å
592	R	64	Low	64.7	Low	153 Å²	153	110.4 Å²	110.4	58%	0.577	53%	0.531	S	S	*	.	H	α-helix	trans	-64.2	-39.7	177	-155.4	179.9	-154	-179.1	6.1	112.5	L588 Q589 Y590 A596	L588-R592 WeakPolarHBondContact O-CB 3.37Å; L588-R592 PolarHBondContact O-N 3.02Å; Q589-R592 PolarHBondContact O-N 3.5Å; Y590-R592 VanDerWaalsContact C-N 3.31Å; Y590-R592 PolarHBondContact O-N 3.33Å; R592-A596 VanDerWaalsContact O-CB 3.25Å; R592-A596 WeakPolarHBondContact O-CB 3.33Å; R592-A596 PolarHBondContact O-N 3.21Å; R592-A596 VanDerWaalsContact O-N 3.13Å
593	R	71.1	Confident	65.6	Low	169 Å²	169	103.8 Å²	103.8	64%	0.638	52%	0.515	S	S	*	.	H	α-helix	trans	-65.3	-47	171.5	-91.4	-172.8	173.2	173.7	-3.3	111.5	Q589 Y590 L591 Y595 A596 E597	Q589-R593 PolarHBondContact O-N 2.9Å; Y590-R593 PolarHBondContact O-N 2.89Å; L591-R593 PolarHBondContact O-N 3.33Å; R593-Y595 PolarHBondContact O-N 3.17Å; R593-A596 PolarHBondContact O-N 2.77Å; R593-E597 WeakPolarHBondContact O-CB 3.49Å; R593-E597 WeakPolarHBondContact O-CG 3.35Å; R593-E597 PolarHBondContact O-N 2.93Å
594	F	72.7	Confident	66.5	Low	125 Å²	125	107 Å²	107	55%	0.548	54%	0.537	S	S	.	.	H	α-helix	trans	-56.9	-47.5	179.8	178.7	-96.2	0	0	0	112.2	Y590 L591 E597 S598	Y590-F594 WeakPolarHBondContact O-CB 3.23Å; Y590-F594 PolarHBondContact O-N 2.89Å; L591-F594 PolarHBondContact O-N 2.84Å; F594-E597 PolarHBondContact O-N 3.26Å; F594-S598 WeakPolarHBondContact O-CB 3.08Å; F594-S598 PolarHBondContact O-N 3.12Å; F594-S598 PolarHBondContact O-OG 2.85Å
595	Y	65.3	Low	67.3	Low	30 Å²	30	106 Å²	106	12%	0.118	54%	0.535	C	S	.	.	H	α-helix	trans	-72	-30.2	178	-77.1	-67.8	0	0	0	113.7	L591 R593 V601 S610 S611 V614	L591-Y595 VanDerWaalsContact O-CD2 3.24Å; L591-Y595 WeakPolarHBondContact O-CD2 3.3Å; L591-Y595 PolarHBondContact O-N 2.67Å; R593-Y595 PolarHBondContact O-N 3.17Å; Y595-V601 HydrophobicContact CD1-CG2 3.87Å; Y595-S610 WeakPolarHBondContact CE1-OG 3.46Å; Y595-S610 PolarHBondContact OH-OG 2.96Å; Y595-S611 WeakPolarHBondContact CD2-OG 3.35Å; Y595-V614 WeakPolarHBondContact OH-CG2 3.46Å
596	A	63.9	Low	67.9	Low	75 Å²	75	103 Å²	103	62%	0.62	52%	0.52	S	S	*	.	H	α-helix	trans	-72.7	-34.4	174.1	0	0	0	0	0	112.8	R592 R593	R592-A596 VanDerWaalsContact O-CB 3.25Å; R592-A596 WeakPolarHBondContact O-CB 3.33Å; R592-A596 PolarHBondContact O-N 3.21Å; R592-A596 VanDerWaalsContact O-N 3.13Å; R593-A596 PolarHBondContact O-N 2.77Å
597	E	70.3	Confident	68.2	Low	149 Å²	149	96.3 Å²	96.3	70%	0.696	49%	0.49	S	S	*	.	H	α-helix	trans	-90.2	-28.2	-176.8	-70.3	173	-170.6	0	0	113.3	R593 F594 G599	R593-E597 WeakPolarHBondContact O-CB 3.49Å; R593-E597 WeakPolarHBondContact O-CG 3.35Å; R593-E597 PolarHBondContact O-N 2.93Å; F594-E597 PolarHBondContact O-N 3.26Å; E597-G599 VanDerWaalsContact C-N 3.25Å; E597-G599 PolarHBondContact O-N 3.44Å
598	S	66.1	Low	68.6	Low	42 Å²	42	95.6 Å²	95.6	29%	0.294	49%	0.486	S	S	.	.	S	Bend	trans	-73.5	-11.6	-177.8	58.3	0	0	0	0	114.5	F594 Y600	F594-S598 WeakPolarHBondContact O-CB 3.08Å; F594-S598 PolarHBondContact O-N 3.12Å; F594-S598 PolarHBondContact O-OG 2.85Å; S598-Y600 PolarHBondContact O-N 2.92Å
599	G	65.1	Low	69.1	Low	58 Å²	58	96.4 Å²	96.4	60%	0.598	49%	0.489	S	S	*	.	S	Bend	trans	68	-1	-178	0	0	0	0	0	114.9	E597 V601	E597-G599 VanDerWaalsContact C-N 3.25Å; E597-G599 PolarHBondContact O-N 3.44Å; G599-V601 VanDerWaalsContact C-N 3.26Å; G599-V601 PolarHBondContact O-N 3.3Å
600	Y	60	Low	69.3	Low	207 Å²	207	91.9 Å²	91.9	81%	0.812	47%	0.472	S	S	*	.	S	Bend	trans	-69.2	-23.1	-179.2	-96.1	-90.2	0	0	0	113.2	S598	S598-Y600 PolarHBondContact O-N 2.92Å
601	V	62.3	Low	69.4	Low	38 Å²	38	83.6 Å²	83.6	23%	0.23	44%	0.44	C	S	.	.			trans	-128.7	116.2	178.8	-166.2	0	0	0	0	110.6	Y595 G599 S603	Y595-V601 HydrophobicContact CD1-CG2 3.87Å; G599-V601 VanDerWaalsContact C-N 3.26Å; G599-V601 PolarHBondContact O-N 3.3Å; V601-S603 PolarHBondContact O-N 2.84Å
602	K	65.5	Low	70.1	Confident	216 Å²	216	87 Å²	87	94%	0.939	46%	0.457	S	S	*	.	S	Bend	trans	-74.7	-3.3	-171.8	-66.8	-178.5	179.3	176.6	0	114.7
603	S	75	Confident	70.8	Confident	62 Å²	62	84.7 Å²	84.7	43%	0.434	46%	0.456	S	S	.	.	S	Bend	trans	-137.6	149.1	-179.9	75.7	0	0	0	0	112.1	V601 A605 G606 A607	V601-S603 PolarHBondContact O-N 2.84Å; S603-A605 PolarHBondContact O-N 3.28Å; S603-G606 PolarHBondContact O-N 3.48Å; S603-G606 PolarHBondContact OG-N 3.45Å; S603-A607 PolarHBondContact O-N 3.29Å
604	T	72.6	Confident	71.2	Confident	121 Å²	121	78.9 Å²	78.9	74%	0.742	44%	0.439	S	S	*	.	H	α-helix	trans	-59.7	-34.1	174	45.3	0	0	0	0	112.2	V608	T604-V608 WeakPolarHBondContact O-CG2 3.37Å; T604-V608 PolarHBondContact O-N 3.03Å
605	A	74.5	Confident	71.6	Confident	59 Å²	59	74.3 Å²	74.3	49%	0.488	42%	0.421	S	S	.	.	H	α-helix	trans	-64.6	-46.2	174.4	0	0	0	0	0	111.6	S603 A607 V608 I609	S603-A605 PolarHBondContact O-N 3.28Å; A605-A607 VanDerWaalsContact C-N 3.32Å; A605-A607 PolarHBondContact O-N 3.07Å; A605-V608 WeakPolarHBondContact O-CB 3.22Å; A605-V608 PolarHBondContact O-N 3.27Å; A605-I609 WeakPolarHBondContact O-CG1 3.4Å; A605-I609 PolarHBondContact O-N 3.14Å
606	G	73.6	Confident	72.4	Confident	17 Å²	17	75.3 Å²	75.3	18%	0.175	44%	0.436	C	S	.	.	H	α-helix	trans	-65.2	-35.8	178.5	0	0	0	0	0	112.6	S603 V608 I609 S610	S603-G606 PolarHBondContact O-N 3.48Å; S603-G606 PolarHBondContact OG-N 3.45Å; G606-V608 VanDerWaalsContact C-N 3.28Å; G606-V608 PolarHBondContact O-N 2.89Å; G606-I609 PolarHBondContact O-N 3.01Å; G606-S610 WeakPolarHBondContact O-CB 3.25Å; G606-S610 PolarHBondContact O-N 3.08Å
607	A	72.7	Confident	73.2	Confident	4 Å²	4	76.4 Å²	76.4	3%	0.033	44%	0.435	C	S	.	.	H	α-helix	trans	-61.8	-37	174.7	0	0	0	0	0	112.1	S603 A605 S611	S603-A607 PolarHBondContact O-N 3.29Å; A605-A607 VanDerWaalsContact C-N 3.32Å; A605-A607 PolarHBondContact O-N 3.07Å; A607-S611 WeakPolarHBondContact O-CB 3.43Å; A607-S611 PolarHBondContact O-N 3.38Å; A607-S611 VanDerWaalsContact O-N 3.09Å; A607-S611 PolarHBondContact O-OG 2.89Å
608	V	73.7	Confident	73.9	Confident	50 Å²	50	74.2 Å²	74.2	30%	0.303	43%	0.427	S	S	.	.	H	α-helix	trans	-67.6	-47.8	175	173	0	0	0	0	110.8	T604 A605 G606 S610 S611 I612	T604-V608 WeakPolarHBondContact O-CG2 3.37Å; T604-V608 PolarHBondContact O-N 3.03Å; A605-V608 WeakPolarHBondContact O-CB 3.22Å; A605-V608 PolarHBondContact O-N 3.27Å; G606-V608 VanDerWaalsContact C-N 3.28Å; G606-V608 PolarHBondContact O-N 2.89Å; V608-S610 PolarHBondContact O-N 3.42Å; V608-S611 PolarHBondContact O-N 2.92Å; V608-I612 HydrophobicContact CG1-CD1 3.89Å; V608-I612 WeakPolarHBondContact O-CG1 3.31Å; V608-I612 PolarHBondContact O-N 2.83Å
609	I	75.2	Confident	74.5	Confident	106 Å²	106	74.8 Å²	74.8	54%	0.544	43%	0.431	S	S	.	.	H	α-helix	trans	-61.1	-45.5	179.7	-65	166.8	0	0	0	110.8	A605 G606 S611 I612 L613	A605-I609 WeakPolarHBondContact O-CG1 3.4Å; A605-I609 PolarHBondContact O-N 3.14Å; G606-I609 PolarHBondContact O-N 3.01Å; I609-S611 VanDerWaalsContact C-N 3.33Å; I609-S611 PolarHBondContact O-N 3.43Å; I609-I612 PolarHBondContact O-N 2.9Å; I609-L613 HydrophobicContact CG2-CD1 4.33Å; I609-L613 PolarHBondContact O-N 2.88Å
610	S	73.6	Confident	75.2	Confident	31 Å²	31	76.7 Å²	76.7	22%	0.217	42%	0.423	C	S	.	.	H	α-helix	trans	-64.3	-38.6	179	-163.9	0	0	0	0	112.1	Y595 G606 V608 I612 L613 V614	Y595-S610 WeakPolarHBondContact CE1-OG 3.46Å; Y595-S610 PolarHBondContact OH-OG 2.96Å; G606-S610 WeakPolarHBondContact O-CB 3.25Å; G606-S610 PolarHBondContact O-N 3.08Å; V608-S610 PolarHBondContact O-N 3.42Å; S610-I612 PolarHBondContact O-N 3.15Å; S610-L613 PolarHBondContact O-N 2.86Å; S610-V614 WeakPolarHBondContact O-CG2 3.42Å; S610-V614 PolarHBondContact O-N 2.77Å
611	S	75.6	Confident	76.1	Confident	6 Å²	6	68.8 Å²	68.8	4%	0.042	40%	0.404	C	S	.	.	H	α-helix	trans	-62.9	-40.1	174.4	-57.9	0	0	0	0	112.4	Y595 A607 V608 I609 V615	Y595-S611 WeakPolarHBondContact CD2-OG 3.35Å; A607-S611 WeakPolarHBondContact O-CB 3.43Å; A607-S611 PolarHBondContact O-N 3.38Å; A607-S611 VanDerWaalsContact O-N 3.09Å; A607-S611 PolarHBondContact O-OG 2.89Å; V608-S611 PolarHBondContact O-N 2.92Å; I609-S611 VanDerWaalsContact C-N 3.33Å; I609-S611 PolarHBondContact O-N 3.43Å; S611-V615 VanDerWaalsContact O-CG2 3.29Å; S611-V615 WeakPolarHBondContact O-CG2 3.35Å; S611-V615 PolarHBondContact O-N 2.9Å
612	I	79.3	Confident	76.9	Confident	109 Å²	109	70.4 Å²	70.4	56%	0.559	41%	0.414	S	S	*	.	H	α-helix	trans	-66.6	-44.5	177.5	-67.5	166.5	0	0	0	110.5	V608 I609 S610 V614 V615 A616	V608-I612 HydrophobicContact CG1-CD1 3.89Å; V608-I612 WeakPolarHBondContact O-CG1 3.31Å; V608-I612 PolarHBondContact O-N 2.83Å; I609-I612 PolarHBondContact O-N 2.9Å; S610-I612 PolarHBondContact O-N 3.15Å; I612-V614 PolarHBondContact O-N 2.89Å; I612-V615 PolarHBondContact O-N 2.82Å; I612-A616 WeakPolarHBondContact O-CB 3.41Å; I612-A616 PolarHBondContact O-N 2.84Å
613	L	78.9	Confident	77.6	Confident	104 Å²	104	64.5 Å²	64.5	55%	0.545	39%	0.392	S	S	.	.	H	α-helix	trans	-59	-46.5	177.7	-99.3	162.5	0	0	0	112.4	I609 S610 V615 A616 V617	I609-L613 HydrophobicContact CG2-CD1 4.33Å; I609-L613 PolarHBondContact O-N 2.88Å; S610-L613 PolarHBondContact O-N 2.86Å; L613-V615 VanDerWaalsContact C-N 3.32Å; L613-V615 PolarHBondContact O-N 2.9Å; L613-A616 PolarHBondContact O-N 3.25Å; L613-V617 VanDerWaalsContact O-CG2 3.31Å; L613-V617 WeakPolarHBondContact O-CG2 3.45Å; L613-V617 PolarHBondContact O-N 3.37Å
614	V	80.1	Confident	77.7	Confident	48 Å²	48	63.7 Å²	63.7	29%	0.291	39%	0.389	S	S	.	.	H	α-helix	trans	-61.8	-42.6	178	170.7	0	0	0	0	111.4	Y595 S610 I612 A616 V617 I618	Y595-V614 WeakPolarHBondContact OH-CG2 3.46Å; S610-V614 WeakPolarHBondContact O-CG2 3.42Å; S610-V614 PolarHBondContact O-N 2.77Å; I612-V614 PolarHBondContact O-N 2.89Å; V614-A616 VanDerWaalsContact C-N 3.33Å; V614-A616 PolarHBondContact O-N 2.89Å; V614-V617 PolarHBondContact O-N 2.96Å; V614-I618 HydrophobicContact CG1-CD1 3.81Å; V614-I618 HydrophobicContact CG1-CG1 4.49Å; V614-I618 VanDerWaalsContact O-CG1 3.31Å; V614-I618 WeakPolarHBondContact O-CG1 3.48Å; V614-I618 PolarHBondContact O-N 3.2Å
615	V	81.2	Confident	77.9	Confident	28 Å²	28	66.1 Å²	66.1	17%	0.17	39%	0.385	C	S	.	.	H	α-helix	trans	-64.8	-39.9	177	172.5	0	0	0	0	111.1	L583 L591 S611 I612 L613 I618 S619	L583-V615 HydrophobicContact CD1-CG1 3.68Å; L583-V615 HydrophobicContact CD2-CG1 4.22Å; L583-V615 HydrophobicContact CD2-CG2 3.99Å; L591-V615 HydrophobicContact CD1-CG2 3.89Å; S611-V615 VanDerWaalsContact O-CG2 3.29Å; S611-V615 WeakPolarHBondContact O-CG2 3.35Å; S611-V615 PolarHBondContact O-N 2.9Å; I612-V615 PolarHBondContact O-N 2.82Å; L613-V615 VanDerWaalsContact C-N 3.32Å; L613-V615 PolarHBondContact O-N 2.9Å; V615-I618 PolarHBondContact O-N 3.24Å; V615-S619 VanDerWaalsContact O-CB 3.3Å; V615-S619 WeakPolarHBondContact O-CB 3.22Å; V615-S619 PolarHBondContact O-N 3.26Å; V615-S619 PolarHBondContact O-OG 2.72Å
616	A	81.2	Confident	78.2	Confident	52 Å²	52	69.8 Å²	69.8	43%	0.43	40%	0.395	S	S	.	.	H	α-helix	trans	-63.1	-45.2	175.9	0	0	0	0	0	111.6	I612 L613 V614 I618 S619 F620	I612-A616 WeakPolarHBondContact O-CB 3.41Å; I612-A616 PolarHBondContact O-N 2.84Å; L613-A616 PolarHBondContact O-N 3.25Å; V614-A616 VanDerWaalsContact C-N 3.33Å; V614-A616 PolarHBondContact O-N 2.89Å; A616-I618 PolarHBondContact O-N 3.08Å; A616-S619 PolarHBondContact O-N 3.06Å; A616-F620 VanDerWaalsContact O-CB 3.31Å; A616-F620 WeakPolarHBondContact O-CB 3.5Å; A616-F620 PolarHBondContact O-N 2.82Å
617	V	81.5	Confident	78.3	Confident	97 Å²	97	77.1 Å²	77.1	59%	0.588	42%	0.419	S	S	*	.	H	α-helix	trans	-62.3	-43.6	177.4	172.4	0	0	0	0	111.6	L613 V614 F620 G621	L613-V617 VanDerWaalsContact O-CG2 3.31Å; L613-V617 WeakPolarHBondContact O-CG2 3.45Å; L613-V617 PolarHBondContact O-N 3.37Å; V614-V617 PolarHBondContact O-N 2.96Å; V617-F620 PolarHBondContact O-N 3.22Å; V617-G621 PolarHBondContact O-N 3.48Å
618	I	83.5	Confident	78.3	Confident	104 Å²	104	89.4 Å²	89.4	53%	0.533	47%	0.465	S	S	.	.	H	α-helix	trans	-66.7	-40.8	177	-65.9	168.4	0	0	0	110.9	V614 V615 A616 G621 T622	V614-I618 HydrophobicContact CG1-CD1 3.81Å; V614-I618 HydrophobicContact CG1-CG1 4.49Å; V614-I618 VanDerWaalsContact O-CG1 3.31Å; V614-I618 WeakPolarHBondContact O-CG1 3.48Å; V614-I618 PolarHBondContact O-N 3.2Å; V615-I618 PolarHBondContact O-N 3.24Å; A616-I618 PolarHBondContact O-N 3.08Å; I618-G621 PolarHBondContact O-N 3.18Å; I618-T622 WeakPolarHBondContact O-CB 3.36Å; I618-T622 WeakPolarHBondContact O-CG2 3.31Å; I618-T622 PolarHBondContact O-N 2.82Å; I618-T622 PolarHBondContact O-OG1 2.82Å
619	S	79.4	Confident	78.5	Confident	53 Å²	53	91.4 Å²	91.4	37%	0.371	47%	0.473	S	S	.	.	H	α-helix	trans	-65.2	-42	178	-55.6	0	0	0	0	111	V615 A616 T622 I623	V615-S619 VanDerWaalsContact O-CB 3.3Å; V615-S619 WeakPolarHBondContact O-CB 3.22Å; V615-S619 PolarHBondContact O-N 3.26Å; V615-S619 PolarHBondContact O-OG 2.72Å; A616-S619 PolarHBondContact O-N 3.06Å; S619-T622 WeakPolarHBondContact CA-OG1 3.28Å; S619-T622 PolarHBondContact O-N 3.39Å; S619-T622 PolarHBondContact O-OG1 3.46Å; S619-I623 WeakPolarHBondContact O-CB 3.18Å; S619-I623 WeakPolarHBondContact O-CD1 3.5Å; S619-I623 WeakPolarHBondContact O-CG1 3.41Å; S619-I623 PolarHBondContact O-N 3.5Å
620	F	80	Confident	78.7	Confident	99 Å²	99	90.6 Å²	90.6	43%	0.434	47%	0.469	S	S	.	.	H	α-helix	trans	-67.6	-43.8	176.9	-160.6	-89.8	0	0	0	111.5	L345 A616 V617 T622 I623 A624	L345-F620 HydrophobicContact CB-CZ 3.95Å; L345-F620 HydrophobicContact CD1-CE1 4.37Å; L345-F620 HydrophobicContact CD1-CZ 3.87Å; A616-F620 VanDerWaalsContact O-CB 3.31Å; A616-F620 WeakPolarHBondContact O-CB 3.5Å; A616-F620 PolarHBondContact O-N 2.82Å; V617-F620 PolarHBondContact O-N 3.22Å; F620-T622 VanDerWaalsContact C-N 3.32Å; F620-T622 PolarHBondContact O-N 2.92Å; F620-I623 PolarHBondContact O-N 3.03Å; F620-A624 VanDerWaalsContact O-CB 3.3Å; F620-A624 WeakPolarHBondContact O-CB 3.47Å; F620-A624 PolarHBondContact O-N 2.63Å
621	G	79.5	Confident	79	Confident	41 Å²	41	93.9 Å²	93.9	42%	0.423	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-36.5	175.7	0	0	0	0	0	113.2	V617 I618 Y625	V617-G621 PolarHBondContact O-N 3.48Å; I618-G621 PolarHBondContact O-N 3.18Å; G621-Y625 VanDerWaalsContact O-CB 3.25Å; G621-Y625 WeakPolarHBondContact O-CB 3.34Å; G621-Y625 PolarHBondContact O-N 3.39Å
622	T	77.9	Confident	79.2	Confident	71 Å²	71	99.1 Å²	99.1	44%	0.436	51%	0.509	S	S	.	.	H	α-helix	trans	-73	-37.7	175	45.7	0	0	0	0	112.6	I618 S619 F620 Y625 I626	I618-T622 WeakPolarHBondContact O-CB 3.36Å; I618-T622 WeakPolarHBondContact O-CG2 3.31Å; I618-T622 PolarHBondContact O-N 2.82Å; I618-T622 PolarHBondContact O-OG1 2.82Å; S619-T622 WeakPolarHBondContact CA-OG1 3.28Å; S619-T622 PolarHBondContact O-N 3.39Å; S619-T622 PolarHBondContact O-OG1 3.46Å; F620-T622 VanDerWaalsContact C-N 3.32Å; F620-T622 PolarHBondContact O-N 2.92Å; T622-Y625 PolarHBondContact O-N 3.17Å; T622-I626 WeakPolarHBondContact O-CB 3.16Å; T622-I626 WeakPolarHBondContact O-CD1 3.44Å; T622-I626 WeakPolarHBondContact O-CG1 3.24Å; T622-I626 PolarHBondContact O-N 3.33Å
623	I	80.4	Confident	79.2	Confident	93 Å²	93	98.4 Å²	98.4	48%	0.477	51%	0.506	S	S	.	.	H	α-helix	trans	-65.2	-46	173.1	-69	165.3	0	0	0	110.4	S619 F620 Y625 I626 Y627	S619-I623 WeakPolarHBondContact O-CB 3.18Å; S619-I623 WeakPolarHBondContact O-CD1 3.5Å; S619-I623 WeakPolarHBondContact O-CG1 3.41Å; S619-I623 PolarHBondContact O-N 3.5Å; F620-I623 PolarHBondContact O-N 3.03Å; I623-Y625 VanDerWaalsContact C-N 3.33Å; I623-Y625 PolarHBondContact O-N 2.91Å; I623-I626 PolarHBondContact O-N 3.25Å; I623-I626 VanDerWaalsContact O-N 3.14Å; I623-Y627 HydrophobicContact CG2-CD2 3.9Å; I623-Y627 HydrophobicContact CG2-CE2 4.25Å; I623-Y627 PolarHBondContact O-N 3.44Å
624	A	76.2	Confident	79.2	Confident	44 Å²	44	98.1 Å²	98.1	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-59.9	-42.4	176.1	0	0	0	0	0	111.4	F620 I626 Y627 W628	F620-A624 VanDerWaalsContact O-CB 3.3Å; F620-A624 WeakPolarHBondContact O-CB 3.47Å; F620-A624 PolarHBondContact O-N 2.63Å; A624-I626 VanDerWaalsContact C-N 3.31Å; A624-I626 PolarHBondContact O-N 2.8Å; A624-Y627 PolarHBondContact O-N 3.25Å; A624-W628 VanDerWaalsContact O-CB 3.28Å; A624-W628 WeakPolarHBondContact O-CB 3.41Å; A624-W628 PolarHBondContact O-N 3.07Å
625	Y	78.8	Confident	79.1	Confident	172 Å²	172	101.6 Å²	101.6	68%	0.675	52%	0.519	S	S	*	.	H	α-helix	trans	-67.7	-25.1	175.6	-177.9	-99.2	0	0	0	114.2	G621 T622 I623	G621-Y625 VanDerWaalsContact O-CB 3.25Å; G621-Y625 WeakPolarHBondContact O-CB 3.34Å; G621-Y625 PolarHBondContact O-N 3.39Å; T622-Y625 PolarHBondContact O-N 3.17Å; I623-Y625 VanDerWaalsContact C-N 3.33Å; I623-Y625 PolarHBondContact O-N 2.91Å
626	I	79.8	Confident	79	Confident	136 Å²	136	107.3 Å²	107.3	70%	0.697	55%	0.545	S	S	*	.	H	α-helix	trans	-83.5	-28.7	175.1	-69.9	165.3	0	0	0	111.2	T622 I623 A624	T622-I626 WeakPolarHBondContact O-CB 3.16Å; T622-I626 WeakPolarHBondContact O-CD1 3.44Å; T622-I626 WeakPolarHBondContact O-CG1 3.24Å; T622-I626 PolarHBondContact O-N 3.33Å; I623-I626 PolarHBondContact O-N 3.25Å; I623-I626 VanDerWaalsContact O-N 3.14Å; A624-I626 VanDerWaalsContact C-N 3.31Å; A624-I626 PolarHBondContact O-N 2.8Å
627	Y	75.1	Confident	78.8	Confident	172 Å²	172	111.9 Å²	111.9	68%	0.675	56%	0.555	S	S	*	*	H	α-helix	trans	-85.3	-30.1	178.6	-97.9	-87.7	0	0	0	113.6	I623 A624	I623-Y627 HydrophobicContact CG2-CD2 3.9Å; I623-Y627 HydrophobicContact CG2-CE2 4.25Å; I623-Y627 PolarHBondContact O-N 3.44Å; A624-Y627 PolarHBondContact O-N 3.25Å
628	W	72.9	Confident	78.5	Confident	261 Å²	261	113.3 Å²	113.3	99%	0.989	55%	0.552	S	S	*	*			trans	-73.3	0	166.2	-167.9	68.1	0	0	0	110.2	A624	A624-W628 VanDerWaalsContact O-CB 3.28Å; A624-W628 WeakPolarHBondContact O-CB 3.41Å; A624-W628 PolarHBondContact O-N 3.07Å

Retrieved 628 of 628 residues in 100 ms (Link to these results)

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