A0A077ZAU0_TRITR Loading...

1-phosphatidylinositol-5-phosphate 4-kinase

AlphaFold DB , UniProt , Accession A0A077ZAU0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 443 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	41.6	Very low	47.6	Very low	246 Å²	246	187.5 Å²	187.5	100%	1.212	90%	0.895	S	S	*	*				0	106.9	0	-72.5	169.1	136.1	0	0	109.3	S3	M1-S3 PolarHBondContact O-N 3.11Å
2	K	43.5	Very low	47.9	Very low	217 Å²	217	180.9 Å²	180.9	94%	0.943	88%	0.883	S	S	*	*			trans	-87	103.9	179.9	-73.7	-178.9	177.4	177.5	0	109.3
3	S	44.9	Very low	48.2	Very low	120 Å²	120	184 Å²	184	84%	0.839	88%	0.88	S	S	*	*			trans	-83.6	120.5	178.7	-161	0	0	0	0	110.7	M1 K5	M1-S3 PolarHBondContact O-N 3.11Å; S3-K5 PolarHBondContact O-N 3.21Å
4	K	50.1	Low	48.1	Very low	200 Å²	200	178.4 Å²	178.4	87%	0.87	87%	0.866	S	S	*	*			trans	-66.1	119.9	178	-74.2	176.3	172.1	176.4	0	109.9	K6	K4-K6 PolarHBondContact O-N 3.07Å; K4-K6 VanDerWaalsContact O-N 3.09Å
5	K	48.7	Very low	48.4	Very low	205 Å²	205	179.1 Å²	179.1	89%	0.891	86%	0.863	S	S	*	*			trans	-61.5	107.3	165.6	-85.2	179.6	174.9	176.1	0	109	S3 L7	S3-K5 PolarHBondContact O-N 3.21Å; K5-L7 PolarHBondContact O-N 3.43Å
6	K	47.9	Very low	48.1	Very low	198 Å²	198	175.9 Å²	175.9	86%	0.861	85%	0.85	S	S	*	*			trans	-69.8	112.8	164.9	-78.9	-174.6	174	-178.3	0	108.5	K4 K8	K4-K6 PolarHBondContact O-N 3.07Å; K4-K6 VanDerWaalsContact O-N 3.09Å; K6-K8 PolarHBondContact O-N 3.31Å
7	L	48.7	Very low	48.1	Very low	160 Å²	160	169.9 Å²	169.9	84%	0.838	83%	0.828	S	S	*	*			trans	-60.2	115.7	162.5	-93.3	90.8	0	0	0	107.9	K5 H9	K5-L7 PolarHBondContact O-N 3.43Å; L7-H9 PolarHBondContact O-N 3.34Å
8	K	47.5	Very low	48	Very low	201 Å²	201	168.3 Å²	168.3	87%	0.874	82%	0.816	S	S	*	*			trans	-76.1	110	165.1	-72.8	-176.5	175.3	-178	0	107.3	K6 K10	K6-K8 PolarHBondContact O-N 3.31Å; K8-K10 PolarHBondContact O-N 2.94Å
9	H	51	Low	48.3	Very low	179 Å²	179	171.4 Å²	171.4	83%	0.829	82%	0.819	S	S	*	*			trans	-58.7	110.8	164.5	-88.4	-34	0	0	0	108.5	L7 V11	L7-H9 PolarHBondContact O-N 3.34Å; H9-V11 PolarHBondContact O-N 3.31Å; H9-V11 VanDerWaalsContact O-N 3.17Å
10	K	49.8	Very low	48.9	Very low	206 Å²	206	168 Å²	168	90%	0.896	80%	0.8	S	S	*	*			trans	-69.2	107.6	168.6	-135	179.8	-175.7	-178	0	105.7	K8 S12	K8-K10 PolarHBondContact O-N 2.94Å; K10-S12 PolarHBondContact O-N 2.87Å
11	V	50.3	Low	50.3	Low	131 Å²	131	163.8 Å²	163.8	79%	0.794	79%	0.785	S	S	*	*			trans	-58.5	106.8	171.4	178.1	0	0	0	0	106.9	H9 R13	H9-V11 PolarHBondContact O-N 3.31Å; H9-V11 VanDerWaalsContact O-N 3.17Å; V11-R13 PolarHBondContact O-N 3.16Å
12	S	51	Low	52.4	Low	108 Å²	108	153.5 Å²	153.5	76%	0.755	73%	0.734	S	S	*	*			trans	-62.8	115.1	170.4	178.5	0	0	0	0	107.2	K10	K10-S12 PolarHBondContact O-N 2.87Å
13	R	51.3	Low	54.5	Low	221 Å²	221	148.7 Å²	148.7	83%	0.834	71%	0.71	S	S	*	*			trans	-59.8	134.1	170.7	-71.7	-176.2	178.6	-172.1	-1	107.6	V11 F15	V11-R13 PolarHBondContact O-N 3.16Å; R13-F15 PolarHBondContact O-N 3.32Å
14	P	47.6	Very low	56.6	Low	105 Å²	105	143.9 Å²	143.9	68%	0.682	68%	0.676	S	S	*	*			trans	-56.3	130.1	175.4	21.9	-30.4	0	0	0	109	I16	P14-I16 VanDerWaalsContact C-N 3.34Å; P14-I16 PolarHBondContact O-N 3.46Å
15	F	51.7	Low	58.4	Low	190 Å²	190	140 Å²	140	83%	0.833	67%	0.674	S	S	*	*			trans	-68.3	96.8	170.2	-179.8	-96.6	0	0	0	107	R13 P17	R13-F15 PolarHBondContact O-N 3.32Å; F15-P17 HydrophobicContact CE1-CB 4.1Å; F15-P17 WeakPolarHBondContact O-CD 3.44Å
16	I	44.9	Very low	60.5	Low	128 Å²	128	131.9 Å²	131.9	66%	0.656	64%	0.641	S	S	*	*			trans	-83.5	109.3	169	-58.6	170.7	0	0	0	105.1	P14 K18	P14-I16 VanDerWaalsContact C-N 3.34Å; P14-I16 PolarHBondContact O-N 3.46Å; I16-K18 VanDerWaalsContact C-N 3.34Å; I16-K18 PolarHBondContact O-N 3.39Å
17	P	47.5	Very low	62.7	Low	73 Å²	73	124.7 Å²	124.7	47%	0.474	61%	0.614	S	S	.	*			trans	-61	104.5	170.1	25.2	-30.7	0	0	0	106.6	F15 W19	F15-P17 HydrophobicContact CE1-CB 4.1Å; F15-P17 WeakPolarHBondContact O-CD 3.44Å; P17-W19 VanDerWaalsContact C-N 3.35Å; P17-W19 PolarHBondContact O-N 3.14Å
18	K	45.8	Very low	64.8	Low	141 Å²	141	117.9 Å²	117.9	61%	0.613	58%	0.578	S	S	*	*			trans	-67	101.7	168.8	-69.2	-175.3	179.7	-177.6	0	105.4	I16 K20 E73	I16-K18 VanDerWaalsContact C-N 3.34Å; I16-K18 PolarHBondContact O-N 3.39Å; K18-K20 HydrophobicContact CB-CG 4.46Å; K18-K20 WeakPolarHBondContact O-CG 3.42Å; K18-K20 PolarHBondContact O-N 3.06Å; K18-E73 IonicContact NZ-OE1 3.32Å; K18-E73 IonicContact NZ-OE2 3.25Å
19	W	54.1	Low	67.1	Low	227 Å²	227	108.7 Å²	108.7	86%	0.86	54%	0.539	S	S	*	.			trans	-61.6	105.6	167.8	-77.7	41.2	0	0	0	106.2	P17 V21	P17-W19 VanDerWaalsContact C-N 3.35Å; P17-W19 PolarHBondContact O-N 3.14Å; W19-V21 VanDerWaalsContact C-N 3.3Å; W19-V21 PolarHBondContact O-N 3.4Å; W19-V21 VanDerWaalsContact O-N 3.07Å
20	K	60.6	Low	69.2	Low	103 Å²	103	100.2 Å²	100.2	45%	0.448	50%	0.5	S	S	.	.			trans	-85.7	80.8	-176.4	-65.9	-173.3	-177	178.4	0	108.1	K18 R23	K18-K20 HydrophobicContact CB-CG 4.46Å; K18-K20 WeakPolarHBondContact O-CG 3.42Å; K18-K20 PolarHBondContact O-N 3.06Å; K20-R23 HydrophobicContact CB-CB 4.03Å
21	V	77.1	Confident	71.4	Confident	81 Å²	81	90.4 Å²	90.4	49%	0.491	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	133.2	-180	-171.1	0	0	0	0	109.5	W19 R23	W19-V21 VanDerWaalsContact C-N 3.3Å; W19-V21 PolarHBondContact O-N 3.4Å; W19-V21 VanDerWaalsContact O-N 3.07Å; V21-R23 VanDerWaalsContact C-N 3.29Å; V21-R23 PolarHBondContact O-N 3.33Å
22	F	87.4	Confident	73.7	Confident	30 Å²	30	84.4 Å²	84.4	13%	0.132	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	25.7	178.2	-41.8	-42.3	0	0	0	116.2	S30 M33 W34 N37 M75	F22-S30 VanDerWaalsContact O-CA 3.27Å; F22-S30 WeakPolarHBondContact O-CA 3.4Å; F22-S30 WeakPolarHBondContact O-CB 3.37Å; F22-S30 PolarHBondContact O-OG 3.48Å; F22-M33 HydrophobicContact CB-CB 4.06Å; F22-M33 HydrophobicContact CB-CE 4.42Å; F22-M33 HydrophobicContact CD1-CB 3.66Å; F22-M33 HydrophobicContact CE1-CB 4.49Å; F22-M33 HydrophobicContact CG-CB 4.05Å; F22-W34 HydrophobicContact CD2-CB 3.91Å; F22-W34 AromaticContact CD2-CD1 3.91Å; F22-W34 HydrophobicContact CD2-CG 4.32Å; F22-W34 HydrophobicContact CE2-CB 4.49Å; F22-W34 HydrophobicContact CG-CB 4.4Å; F22-N37 HydrophobicContact CE1-CB 4.26Å; F22-N37 HydrophobicContact CE2-CB 4.21Å; F22-N37 HydrophobicContact CZ-CB 3.64Å; F22-M75 HydrophobicContact CB-SD 4.32Å
23	R	86.5	Confident	75.9	Confident	115 Å²	115	79.5 Å²	79.5	43%	0.434	39%	0.385	S	S	.	.			trans	-85	125.5	176.9	-176.7	174.3	177.2	132.2	3.4	111.3	K20 V21 E73	K20-R23 HydrophobicContact CB-CB 4.03Å; V21-R23 VanDerWaalsContact C-N 3.29Å; V21-R23 PolarHBondContact O-N 3.33Å; R23-E73 VanDerWaalsContact CZ-O 3.26Å; R23-E73 PolarHBondContact NH1-O 2.7Å
24	S	89.3	Confident	78	Confident	19 Å²	19	71.2 Å²	71.2	13%	0.133	35%	0.354	C	S	.	.			trans	-130.1	158.6	172.1	165.6	0	0	0	0	110.3	D26 S30 E111	S24-D26 VanDerWaalsContact C-N 3.27Å; S24-D26 WeakPolarHBondContact CB-O 3.37Å; S24-D26 PolarHBondContact OG-N 3Å; S24-D26 PolarHBondContact OG-O 3.33Å; S24-S30 PolarHBondContact N-OG 3.45Å; S24-E111 WeakPolarHBondContact CA-OE2 3.46Å; S24-E111 VanDerWaalsContact CB-OE1 3.3Å; S24-E111 WeakPolarHBondContact CB-OE1 3.5Å; S24-E111 WeakPolarHBondContact CB-OE2 3.24Å; S24-E111 PolarHBondContact OG-OE1 3.24Å; S24-E111 PolarHBondContact OG-OE2 2.72Å
25	S	88.7	Confident	80.4	Confident	119 Å²	119	66.2 Å²	66.2	83%	0.832	32%	0.322	S	S	*	.	S	Bend	trans	-72.3	-23	166.6	65.6	0	0	0	0	113	P27	S25-P27 WeakPolarHBondContact O-CD 3.15Å
26	D	91.7	Very high	82.5	Confident	35 Å²	35	57.2 Å²	57.2	19%	0.187	28%	0.283	C	S	.	.	S	Bend	trans	-97	110.9	171.2	-174.1	-11.9	0	0	0	109.7	S24 L28 L29 S30 R124	S24-D26 VanDerWaalsContact C-N 3.27Å; S24-D26 WeakPolarHBondContact CB-O 3.37Å; S24-D26 PolarHBondContact OG-N 3Å; S24-D26 PolarHBondContact OG-O 3.33Å; D26-L28 PolarHBondContact O-N 3.16Å; D26-L28 WeakPolarHBondContact OD1-CB 3.4Å; D26-L28 PolarHBondContact OD1-N 2.83Å; D26-L29 HydrophobicContact CB-CB 4.47Å; D26-L29 HydrophobicContact CB-CD1 4.19Å; D26-L29 HydrophobicContact CB-CG 4.21Å; D26-L29 PolarHBondContact O-N 3.42Å; D26-S30 PolarHBondContact O-N 2.99Å; D26-R124 IonicContact OD2-CZ 3.21Å; D26-R124 IonicContact OD2-NH1 2.82Å; D26-R124 PolarHBondContact OD2-NH1 3.43Å; D26-R124 VanDerWaalsContact OD2-NH1 3.14Å; D26-R124 IonicContact OD2-NH2 2.69Å; D26-R124 PolarHBondContact OD2-NH2 3.04Å
27	P	93.6	Very high	84.9	Confident	47 Å²	47	53.6 Å²	53.6	31%	0.305	26%	0.264	S	S	.	.	H	α-helix	trans	-49.1	-31.5	175.5	-31.7	38.9	0	0	0	114.4	S25 V31 P76 V177	S25-P27 WeakPolarHBondContact O-CD 3.15Å; P27-V31 WeakPolarHBondContact O-CG2 3.49Å; P27-V31 PolarHBondContact O-N 3.03Å; P27-V31 VanDerWaalsContact O-N 3.1Å; P27-P76 HydrophobicContact CB-CG 3.84Å; P27-V177 HydrophobicContact CB-CG1 3.64Å
28	L	93.8	Very high	87.3	Confident	16 Å²	16	53.3 Å²	53.3	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-44.7	177.9	-178	68.4	0	0	0	111.8	D26 V31 F32 L175 V177 V182	D26-L28 PolarHBondContact O-N 3.16Å; D26-L28 WeakPolarHBondContact OD1-CB 3.4Å; D26-L28 PolarHBondContact OD1-N 2.83Å; L28-V31 PolarHBondContact O-N 3.04Å; L28-F32 WeakPolarHBondContact O-CB 3.48Å; L28-F32 PolarHBondContact O-N 2.74Å; L28-L175 HydrophobicContact CD1-CB 3.86Å; L28-L175 HydrophobicContact CD1-CD1 3.59Å; L28-L175 HydrophobicContact CD1-CG 4.36Å; L28-L175 HydrophobicContact CG-CD1 4.22Å; L28-V177 HydrophobicContact CD1-CG2 4.4Å; L28-V182 HydrophobicContact CD1-CB 3.78Å; L28-V182 HydrophobicContact CD1-CG1 4.15Å; L28-V182 HydrophobicContact CD1-CG2 3.91Å; L28-V182 HydrophobicContact CD2-CB 4.41Å; L28-V182 HydrophobicContact CD2-CG1 4.02Å; L28-V182 HydrophobicContact CD2-CG2 4.26Å
29	L	95.2	Very high	89.6	Confident	8 Å²	8	46.7 Å²	46.7	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-71.6	-35.4	-177.7	-67.8	178.2	0	0	0	111.4	D26 F32 M33 E111 P112 F126	D26-L29 HydrophobicContact CB-CB 4.47Å; D26-L29 HydrophobicContact CB-CD1 4.19Å; D26-L29 HydrophobicContact CB-CG 4.21Å; D26-L29 PolarHBondContact O-N 3.42Å; L29-F32 PolarHBondContact O-N 2.8Å; L29-M33 WeakPolarHBondContact O-CE 3.16Å; L29-M33 WeakPolarHBondContact O-CG 3.42Å; L29-M33 PolarHBondContact O-N 2.83Å; L29-E111 HydrophobicContact CB-CG 4.24Å; L29-E111 HydrophobicContact CD1-CG 3.81Å; L29-E111 WeakPolarHBondContact CD1-OE1 3.05Å; L29-P112 HydrophobicContact CD2-CB 4.28Å; L29-P112 HydrophobicContact CD2-CG 4.28Å; L29-F126 HydrophobicContact CD1-CD1 4.19Å; L29-F126 HydrophobicContact CD1-CE1 3.85Å; L29-F126 HydrophobicContact CD2-CD1 4.01Å; L29-F126 HydrophobicContact CD2-CE1 3.86Å; L29-F126 HydrophobicContact CD2-CE2 4.4Å; L29-F126 HydrophobicContact CD2-CG 4.33Å; L29-F126 HydrophobicContact CD2-CZ 4.03Å; L29-F126 HydrophobicContact CG-CE1 4.22Å
30	S	95.4	Very high	91.5	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-48.1	169.1	-79	0	0	0	0	112.2	F22 S24 D26 W34 S74	F22-S30 VanDerWaalsContact O-CA 3.27Å; F22-S30 WeakPolarHBondContact O-CA 3.4Å; F22-S30 WeakPolarHBondContact O-CB 3.37Å; F22-S30 PolarHBondContact O-OG 3.48Å; S24-S30 PolarHBondContact N-OG 3.45Å; D26-S30 PolarHBondContact O-N 2.99Å; S30-W34 WeakPolarHBondContact O-CB 3.36Å; S30-W34 PolarHBondContact O-N 2.98Å; S30-S74 PolarHBondContact OG-O 3.2Å
31	V	96.9	Very high	93.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.5	-34.6	179.1	173.6	0	0	0	0	112.1	P27 L28 G35 M75 P76 F79 V81 L175 V177	P27-V31 WeakPolarHBondContact O-CG2 3.49Å; P27-V31 PolarHBondContact O-N 3.03Å; P27-V31 VanDerWaalsContact O-N 3.1Å; L28-V31 PolarHBondContact O-N 3.04Å; V31-G35 WeakPolarHBondContact O-CA 3.16Å; V31-G35 PolarHBondContact O-N 3.47Å; V31-M75 HydrophobicContact CG2-CE 4.05Å; V31-P76 HydrophobicContact CG2-CG 3.86Å; V31-F79 HydrophobicContact CB-CD2 4.37Å; V31-F79 HydrophobicContact CG1-CB 4.09Å; V31-F79 HydrophobicContact CG1-CD2 3.6Å; V31-F79 HydrophobicContact CG1-CE2 4.32Å; V31-F79 HydrophobicContact CG1-CG 4.06Å; V31-F79 HydrophobicContact CG2-CB 3.75Å; V31-F79 HydrophobicContact CG2-CD1 4.04Å; V31-F79 HydrophobicContact CG2-CD2 3.9Å; V31-F79 HydrophobicContact CG2-CG 3.63Å; V31-V81 HydrophobicContact CG1-CG2 3.76Å; V31-L175 HydrophobicContact CG1-CB 4.39Å; V31-L175 HydrophobicContact CG1-CD2 4.25Å; V31-V177 HydrophobicContact CB-CG2 3.75Å; V31-V177 HydrophobicContact CG1-CG2 3.93Å; V31-V177 HydrophobicContact CG2-CG1 4.42Å; V31-V177 HydrophobicContact CG2-CG2 3.68Å
32	F	97.2	Very high	93.8	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.022	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-54.6	173	176.8	-100.8	0	0	0	111.7	L28 L29 W34 G35 I36 L107 P112 I135 Y173 L175 V186	L28-F32 WeakPolarHBondContact O-CB 3.48Å; L28-F32 PolarHBondContact O-N 2.74Å; L29-F32 PolarHBondContact O-N 2.8Å; F32-W34 PolarHBondContact O-N 2.83Å; F32-G35 PolarHBondContact O-N 3.15Å; F32-I36 HydrophobicContact CD1-CD1 4.2Å; F32-I36 HydrophobicContact CD2-CD1 4.09Å; F32-I36 HydrophobicContact CE1-CD1 3.55Å; F32-I36 HydrophobicContact CE2-CD1 3.43Å; F32-I36 VanDerWaalsContact CE2-CD1 3.43Å; F32-I36 HydrophobicContact CE2-CG1 4.28Å; F32-I36 HydrophobicContact CG-CD1 4.45Å; F32-I36 HydrophobicContact CZ-CD1 3.12Å; F32-I36 HydrophobicContact CZ-CG1 4.33Å; F32-I36 PolarHBondContact O-N 3.12Å; F32-L107 HydrophobicContact CE1-CB 4.5Å; F32-L107 HydrophobicContact CE1-CD2 4.22Å; F32-L107 HydrophobicContact CZ-CD2 4.28Å; F32-P112 HydrophobicContact CD1-CG 4.16Å; F32-P112 HydrophobicContact CE1-CG 4.06Å; F32-I135 HydrophobicContact CE1-CG1 3.95Å; F32-I135 HydrophobicContact CE2-CG1 4.35Å; F32-I135 HydrophobicContact CE2-CG2 3.81Å; F32-I135 HydrophobicContact CZ-CB 4.36Å; F32-I135 HydrophobicContact CZ-CG1 3.53Å; F32-I135 HydrophobicContact CZ-CG2 3.85Å; F32-Y173 HydrophobicContact CE2-CD2 4.24Å; F32-L175 HydrophobicContact CB-CD1 3.65Å; F32-L175 HydrophobicContact CD2-CD1 4.05Å; F32-L175 HydrophobicContact CG-CD1 4.35Å; F32-V186 HydrophobicContact CE2-CG2 4.02Å; F32-V186 HydrophobicContact CZ-CG2 3.89Å
33	M	97.2	Very high	94	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.02	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-45.3	-179.6	-70.3	-175.2	-79.5	0	0	111.7	F22 L29 G35 N37 T108 E111	F22-M33 HydrophobicContact CB-CB 4.06Å; F22-M33 HydrophobicContact CB-CE 4.42Å; F22-M33 HydrophobicContact CD1-CB 3.66Å; F22-M33 HydrophobicContact CE1-CB 4.49Å; F22-M33 HydrophobicContact CG-CB 4.05Å; L29-M33 WeakPolarHBondContact O-CE 3.16Å; L29-M33 WeakPolarHBondContact O-CG 3.42Å; L29-M33 PolarHBondContact O-N 2.83Å; M33-G35 VanDerWaalsContact C-N 3.33Å; M33-G35 PolarHBondContact O-N 3.06Å; M33-N37 WeakPolarHBondContact O-CB 3.47Å; M33-N37 PolarHBondContact O-N 3.22Å; M33-N37 VanDerWaalsContact O-N 3.08Å; M33-T108 HydrophobicContact CB-CG2 4.5Å; M33-T108 WeakPolarHBondContact O-CG2 3.37Å; M33-E111 HydrophobicContact CE-CB 4.19Å; M33-E111 HydrophobicContact CE-CG 4.3Å; M33-E111 HydrophobicContact SD-CB 4.44Å
34	W	96.7	Very high	94.2	Very high	48 Å²	48	30.4 Å²	30.4	18%	0.182	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-42.8	175.7	-177.9	94.4	0	0	0	111.8	F22 S30 F32 N37 H38 I63 I65 M75 F79 V81	F22-W34 HydrophobicContact CD2-CB 3.91Å; F22-W34 AromaticContact CD2-CD1 3.91Å; F22-W34 HydrophobicContact CD2-CG 4.32Å; F22-W34 HydrophobicContact CE2-CB 4.49Å; F22-W34 HydrophobicContact CG-CB 4.4Å; S30-W34 WeakPolarHBondContact O-CB 3.36Å; S30-W34 PolarHBondContact O-N 2.98Å; F32-W34 PolarHBondContact O-N 2.83Å; W34-N37 PolarHBondContact O-N 2.84Å; W34-H38 HydrophobicContact CE3-CB 4.39Å; W34-H38 HydrophobicContact CH2-CB 4.14Å; W34-H38 AromaticContact CH2-CG 3.97Å; W34-H38 AromaticContact CH2-ND1 3.91Å; W34-H38 HydrophobicContact CZ3-CB 4.09Å; W34-H38 WeakPolarHBondContact O-CB 3.35Å; W34-H38 PolarHBondContact O-N 2.72Å; W34-I63 HydrophobicContact CH2-CG2 4Å; W34-I63 HydrophobicContact CZ3-CG2 4.41Å; W34-I65 HydrophobicContact CH2-CD1 3.65Å; W34-I65 HydrophobicContact CH2-CG1 3.58Å; W34-I65 HydrophobicContact CZ2-CD1 3.87Å; W34-I65 HydrophobicContact CZ2-CG1 3.93Å; W34-I65 HydrophobicContact CZ3-CG1 4.09Å; W34-M75 HydrophobicContact CB-CE 3.43Å; W34-M75 VanDerWaalsContact CB-CE 3.43Å; W34-M75 HydrophobicContact CB-SD 4.04Å; W34-M75 HydrophobicContact CD2-CE 4.27Å; W34-M75 HydrophobicContact CG-CE 3.57Å; W34-M75 HydrophobicContact CG-SD 4.38Å; W34-F79 AromaticContact CD2-CE2 3.9Å; W34-F79 HydrophobicContact CD2-CE2 3.9Å; W34-F79 AromaticContact CD2-CZ 3.96Å; W34-F79 HydrophobicContact CD2-CZ 3.96Å; W34-F79 AromaticContact CE3-CE2 3.48Å; W34-F79 HydrophobicContact CE3-CE2 3.48Å; W34-F79 VanDerWaalsContact CE3-CE2 3.48Å; W34-F79 HydrophobicContact CE3-CZ 4.02Å; W34-F79 HydrophobicContact CG-CZ 4.45Å; W34-F79 HydrophobicContact CH2-CE2 4.3Å; W34-F79 AromaticContact CZ3-CE2 3.72Å; W34-F79 HydrophobicContact CZ3-CE2 3.72Å; W34-F79 HydrophobicContact CZ3-CZ 4.37Å; W34-V81 HydrophobicContact CE3-CG2 4.05Å; W34-V81 HydrophobicContact CZ3-CG2 4.09Å
35	G	97	Very high	94.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-51.6	-177.9	0	0	0	0	0	112.5	V31 F32 M33 N37 H38 T39	V31-G35 WeakPolarHBondContact O-CA 3.16Å; V31-G35 PolarHBondContact O-N 3.47Å; F32-G35 PolarHBondContact O-N 3.15Å; M33-G35 VanDerWaalsContact C-N 3.33Å; M33-G35 PolarHBondContact O-N 3.06Å; G35-N37 VanDerWaalsContact C-N 3.33Å; G35-N37 PolarHBondContact O-N 2.93Å; G35-H38 PolarHBondContact O-N 3.17Å; G35-T39 WeakPolarHBondContact O-CG2 3.49Å; G35-T39 PolarHBondContact O-N 3.36Å; G35-T39 PolarHBondContact O-OG1 3.39Å
36	I	96.2	Very high	94.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-45	176.2	-70.3	-176.4	0	0	0	110.7	F32 H38 T39 V40 Y103 L104 L107 T108 Y173	F32-I36 HydrophobicContact CD1-CD1 4.2Å; F32-I36 HydrophobicContact CD2-CD1 4.09Å; F32-I36 HydrophobicContact CE1-CD1 3.55Å; F32-I36 HydrophobicContact CE2-CD1 3.43Å; F32-I36 VanDerWaalsContact CE2-CD1 3.43Å; F32-I36 HydrophobicContact CE2-CG1 4.28Å; F32-I36 HydrophobicContact CG-CD1 4.45Å; F32-I36 HydrophobicContact CZ-CD1 3.12Å; F32-I36 HydrophobicContact CZ-CG1 4.33Å; F32-I36 PolarHBondContact O-N 3.12Å; I36-H38 VanDerWaalsContact C-N 3.26Å; I36-H38 PolarHBondContact O-N 3.36Å; I36-T39 PolarHBondContact O-N 2.99Å; I36-V40 HydrophobicContact CG2-CG2 3.97Å; I36-V40 VanDerWaalsContact O-CB 3.3Å; I36-V40 WeakPolarHBondContact O-CB 3.19Å; I36-V40 VanDerWaalsContact O-CG2 3.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.49Å; I36-V40 PolarHBondContact O-N 3.31Å; I36-Y103 HydrophobicContact CG2-CE1 4.08Å; I36-L104 HydrophobicContact CG2-CD1 4.31Å; I36-L107 HydrophobicContact CD1-CB 4.17Å; I36-L107 HydrophobicContact CD1-CD1 3.78Å; I36-L107 HydrophobicContact CD1-CG 4.48Å; I36-L107 HydrophobicContact CG2-CB 4.42Å; I36-L107 HydrophobicContact CG2-CD1 4.48Å; I36-T108 HydrophobicContact CB-CG2 4.37Å; I36-T108 HydrophobicContact CG2-CG2 4.17Å; I36-Y173 HydrophobicContact CD1-CD2 4.48Å; I36-Y173 HydrophobicContact CD1-CE2 3.91Å; I36-Y173 HydrophobicContact CG1-CE1 4.07Å; I36-Y173 HydrophobicContact CG1-CE2 3.99Å
37	N	96.1	Very high	94	Very high	51 Å²	51	42.1 Å²	42.1	27%	0.273	21%	0.213	S	C	.	.	H	α-helix	trans	-57	-43.6	177.4	-177.9	88.3	0	0	0	112.1	F22 M33 W34 G35 S41 L104 T108	F22-N37 HydrophobicContact CE1-CB 4.26Å; F22-N37 HydrophobicContact CE2-CB 4.21Å; F22-N37 HydrophobicContact CZ-CB 3.64Å; M33-N37 WeakPolarHBondContact O-CB 3.47Å; M33-N37 PolarHBondContact O-N 3.22Å; M33-N37 VanDerWaalsContact O-N 3.08Å; W34-N37 PolarHBondContact O-N 2.84Å; G35-N37 VanDerWaalsContact C-N 3.33Å; G35-N37 PolarHBondContact O-N 2.93Å; N37-S41 WeakPolarHBondContact O-CB 3.46Å; N37-S41 PolarHBondContact O-N 3.2Å; N37-S41 PolarHBondContact O-OG 3.37Å; N37-L104 VanDerWaalsContact CA-CD1 3.5Å; N37-L104 HydrophobicContact CB-CD1 4Å; N37-T108 HydrophobicContact CB-CG2 4.25Å
38	H	95.9	Very high	93.5	Very high	68 Å²	68	44.4 Å²	44.4	32%	0.315	23%	0.228	S	C	.	.	H	α-helix	trans	-67.6	-54.1	178.5	-171.8	92.1	0	0	0	112.3	W34 G35 I36 V40 S41 E42 I63	W34-H38 HydrophobicContact CE3-CB 4.39Å; W34-H38 HydrophobicContact CH2-CB 4.14Å; W34-H38 AromaticContact CH2-CG 3.97Å; W34-H38 AromaticContact CH2-ND1 3.91Å; W34-H38 HydrophobicContact CZ3-CB 4.09Å; W34-H38 WeakPolarHBondContact O-CB 3.35Å; W34-H38 PolarHBondContact O-N 2.72Å; G35-H38 PolarHBondContact O-N 3.17Å; I36-H38 VanDerWaalsContact C-N 3.26Å; I36-H38 PolarHBondContact O-N 3.36Å; H38-V40 PolarHBondContact O-N 3.46Å; H38-S41 PolarHBondContact O-N 3.45Å; H38-E42 WeakPolarHBondContact O-CB 3.36Å; H38-E42 PolarHBondContact O-N 3.41Å; H38-I63 WeakPolarHBondContact CD2-CD1 3.06Å
39	T	95.9	Very high	93.1	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-69.8	-37.4	-171.1	64.1	0	0	0	0	112.5	G35 I36 E42 L43 I63 V81 E83	G35-T39 WeakPolarHBondContact O-CG2 3.49Å; G35-T39 PolarHBondContact O-N 3.36Å; G35-T39 PolarHBondContact O-OG1 3.39Å; I36-T39 PolarHBondContact O-N 2.99Å; T39-E42 PolarHBondContact O-N 3.4Å; T39-L43 WeakPolarHBondContact O-CB 3.28Å; T39-L43 PolarHBondContact O-N 2.75Å; T39-I63 HydrophobicContact CG2-CD1 3.91Å; T39-V81 HydrophobicContact CG2-CG1 4.4Å; T39-E83 VanDerWaalsContact CB-OE2 3.26Å; T39-E83 WeakPolarHBondContact CB-OE2 3.49Å; T39-E83 HydrophobicContact CG2-CB 4.06Å; T39-E83 PolarHBondContact OG1-OE1 3.42Å; T39-E83 PolarHBondContact OG1-OE2 2.99Å
40	V	93.5	Very high	92.5	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.3	-41.3	174.9	176.3	0	0	0	0	110.9	I36 H38 L43 N44 E100 Y103 L104	I36-V40 HydrophobicContact CG2-CG2 3.97Å; I36-V40 VanDerWaalsContact O-CB 3.3Å; I36-V40 WeakPolarHBondContact O-CB 3.19Å; I36-V40 VanDerWaalsContact O-CG2 3.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.49Å; I36-V40 PolarHBondContact O-N 3.31Å; H38-V40 PolarHBondContact O-N 3.46Å; V40-L43 PolarHBondContact O-N 3.29Å; V40-N44 PolarHBondContact O-N 2.94Å; V40-N44 VanDerWaalsContact O-N 3.09Å; V40-N44 PolarHBondContact O-ND2 3.45Å; V40-E100 WeakPolarHBondContact CG1-OE2 2.79Å; V40-Y103 HydrophobicContact CG2-CD1 4.07Å; V40-Y103 HydrophobicContact CG2-CE1 3.88Å; V40-L104 HydrophobicContact CG1-CB 4.49Å
41	S	93.4	Very high	92.4	Very high	41 Å²	41	64.2 Å²	64.2	29%	0.287	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-42.8	175.9	-60.6	0	0	0	0	111.9	N37 H38 L43 N44 H45	N37-S41 WeakPolarHBondContact O-CB 3.46Å; N37-S41 PolarHBondContact O-N 3.2Å; N37-S41 PolarHBondContact O-OG 3.37Å; H38-S41 PolarHBondContact O-N 3.45Å; S41-L43 VanDerWaalsContact C-N 3.3Å; S41-L43 PolarHBondContact O-N 3.03Å; S41-N44 PolarHBondContact O-N 3.33Å; S41-H45 PolarHBondContact O-CD2 2.89Å
42	E	93.2	Very high	92.3	Very high	75 Å²	75	65.5 Å²	65.5	35%	0.35	32%	0.322	S	S	.	.	H	α-helix	trans	-57.8	-44.4	174.3	-175.3	-177.8	-173	0	0	111.1	H38 T39 N44 H45 S61	H38-E42 WeakPolarHBondContact O-CB 3.36Å; H38-E42 PolarHBondContact O-N 3.41Å; T39-E42 PolarHBondContact O-N 3.4Å; E42-N44 VanDerWaalsContact C-N 3.31Å; E42-N44 PolarHBondContact O-N 2.89Å; E42-H45 WeakPolarHBondContact O-CB 3.5Å; E42-H45 PolarHBondContact O-N 3.17Å; E42-H45 VanDerWaalsContact O-N 3.12Å; E42-S61 PolarHBondContact OE2-OG 3.49Å
43	L	91.4	Very high	92.2	Very high	5 Å²	5	70.3 Å²	70.3	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-68	-28.8	-178.5	-166.2	67.8	0	0	0	113.1	T39 V40 S41 H45 Q46 P86 R90	T39-L43 WeakPolarHBondContact O-CB 3.28Å; T39-L43 PolarHBondContact O-N 2.75Å; V40-L43 PolarHBondContact O-N 3.29Å; S41-L43 VanDerWaalsContact C-N 3.3Å; S41-L43 PolarHBondContact O-N 3.03Å; L43-H45 PolarHBondContact O-N 3.28Å; L43-Q46 WeakPolarHBondContact O-CB 3.26Å; L43-Q46 PolarHBondContact O-N 2.72Å; L43-P86 HydrophobicContact CD1-CB 4.11Å; L43-P86 HydrophobicContact CD2-CB 4.37Å; L43-R90 HydrophobicContact CD2-CB 3.65Å; L43-R90 HydrophobicContact CD2-CG 4.13Å; L43-R90 PolarHBondContact O-NH1 3.34Å
44	N	89	Confident	92.2	Very high	92 Å²	92	73.7 Å²	73.7	49%	0.492	37%	0.368	S	S	.	.	H	α-helix	trans	-68	-17.9	173.9	-73.7	-22.2	0	0	0	113.3	V40 S41 E42 Q46	V40-N44 PolarHBondContact O-N 2.94Å; V40-N44 VanDerWaalsContact O-N 3.09Å; V40-N44 PolarHBondContact O-ND2 3.45Å; S41-N44 PolarHBondContact O-N 3.33Å; E42-N44 VanDerWaalsContact C-N 3.31Å; E42-N44 PolarHBondContact O-N 2.89Å; N44-Q46 VanDerWaalsContact C-N 3.28Å
45	H	90.4	Very high	92.2	Very high	169 Å²	169	77.1 Å²	77.1	78%	0.782	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.9	171.6	-61.3	-58.4	0	0	0	113.2	S41 E42 L43	S41-H45 PolarHBondContact O-CD2 2.89Å; E42-H45 WeakPolarHBondContact O-CB 3.5Å; E42-H45 PolarHBondContact O-N 3.17Å; E42-H45 VanDerWaalsContact O-N 3.12Å; L43-H45 PolarHBondContact O-N 3.28Å
46	Q	88.5	Confident	92.2	Very high	92 Å²	92	78 Å²	78	43%	0.43	40%	0.395	S	S	.	.	S	Bend	trans	-105.9	137.5	177.9	-59.2	-176.2	-7.6	0	0	110.5	L43 N44 R90	L43-Q46 WeakPolarHBondContact O-CB 3.26Å; L43-Q46 PolarHBondContact O-N 2.72Å; N44-Q46 VanDerWaalsContact C-N 3.28Å; Q46-R90 PolarHBondContact O-NH1 2.94Å
47	L	87.1	Confident	92.3	Very high	159 Å²	159	78.9 Å²	78.9	83%	0.832	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-57.1	137.5	175	-70.1	170.9	0	0	0	110.8	V49 R90	L47-V49 PolarHBondContact O-N 2.8Å; L47-R90 PolarHBondContact O-NH1 3.29Å; L47-R90 PolarHBondContact O-NH2 3.47Å
48	P	83.2	Confident	92.4	Very high	94 Å²	94	83.8 Å²	83.8	61%	0.61	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-56.5	129.8	171.7	-26.8	35.6	0	0	0	111.6	R50	P48-R50 PolarHBondContact O-N 3.04Å
49	V	85.2	Confident	92.4	Very high	55 Å²	55	82.2 Å²	82.2	33%	0.333	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-76.1	122.7	177	175.7	0	0	0	0	108.9	L47 L51 L52 N87	L47-V49 PolarHBondContact O-N 2.8Å; V49-L51 WeakPolarHBondContact CG1-O 3.21Å; V49-L52 HydrophobicContact CG1-CD2 4.32Å; V49-N87 HydrophobicContact CG2-CB 4.41Å
50	R	84.2	Confident	92.5	Very high	256 Å²	256	87.7 Å²	87.7	97%	0.966	44%	0.44	S	S	*	.	S	Bend	trans	-75.1	-32.4	178.7	-68.2	-171.9	177.7	-164.8	-0.7	113.5	P48	P48-R50 PolarHBondContact O-N 3.04Å
51	L	91.9	Very high	92.7	Very high	132 Å²	132	88.9 Å²	88.9	69%	0.691	45%	0.448	S	S	*	.	S	Bend	trans	-137.7	120.7	179.4	178.5	66.2	0	0	0	108.8	V49	V49-L51 WeakPolarHBondContact CG1-O 3.21Å
52	L	95.8	Very high	92.9	Very high	27 Å²	27	92.1 Å²	92.1	14%	0.141	46%	0.458	C	S	.	.			trans	-70.7	132.4	177.1	-63.6	173.9	0	0	0	110.3	V49 D56 F57 N87 V88 H154	V49-L52 HydrophobicContact CG1-CD2 4.32Å; L52-D56 HydrophobicContact CD2-CB 4.2Å; L52-F57 HydrophobicContact CB-CE2 3.89Å; L52-F57 HydrophobicContact CB-CZ 4.22Å; L52-F57 HydrophobicContact CD1-CE2 4.32Å; L52-F57 HydrophobicContact CD1-CZ 3.85Å; L52-N87 HydrophobicContact CD2-CB 3.98Å; L52-V88 HydrophobicContact CD1-CB 4.38Å; L52-V88 HydrophobicContact CD1-CG1 4.23Å; L52-V88 HydrophobicContact CD1-CG2 4.23Å; L52-V88 HydrophobicContact CD2-CG2 4.45Å; L52-H154 VanDerWaalsContact CD1-NE2 3.33Å; L52-H154 WeakPolarHBondContact CD1-NE2 3.41Å
53	M	95.7	Very high	93	Very high	106 Å²	106	89.8 Å²	89.8	52%	0.522	45%	0.447	S	S	.	.			trans	-93.2	157.5	175.4	-61.2	-59	-68	0	0	110.2	D55 D56 F57	M53-D55 PolarHBondContact O-N 2.66Å; M53-D56 PolarHBondContact N-OD2 2.9Å; M53-D56 WeakPolarHBondContact O-CB 3.28Å; M53-D56 PolarHBondContact O-N 2.79Å; M53-F57 WeakPolarHBondContact O-CD2 3.26Å
54	P	96	Very high	93.3	Very high	75 Å²	75	95.2 Å²	95.2	49%	0.487	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-28.6	176.8	-29	36.5	0	0	0	114.6	F57	P54-F57 PolarHBondContact O-N 3.03Å
55	D	96.8	Very high	93.7	Very high	119 Å²	119	92.5 Å²	92.5	64%	0.636	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-28.3	177.6	-69.2	-23.5	0	0	0	113.1	M53 F57 K58 A59	M53-D55 PolarHBondContact O-N 2.66Å; D55-F57 PolarHBondContact O-N 2.68Å; D55-K58 CarbonylContact O-C 3.55Å; D55-K58 PolarHBondContact O-N 2.92Å; D55-A59 WeakPolarHBondContact O-CB 3.36Å; D55-A59 PolarHBondContact O-N 2.7Å
56	D	97.4	Very high	93.9	Very high	20 Å²	20	88.3 Å²	88.3	11%	0.107	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.2	176.6	-69.8	-59.7	0	0	0	111.6	L52 M53 K58 A59 C85 N87 V88	L52-D56 HydrophobicContact CD2-CB 4.2Å; M53-D56 PolarHBondContact N-OD2 2.9Å; M53-D56 WeakPolarHBondContact O-CB 3.28Å; M53-D56 PolarHBondContact O-N 2.79Å; D56-K58 PolarHBondContact O-N 2.83Å; D56-A59 PolarHBondContact O-N 3.18Å; D56-C85 WeakPolarHBondContact O-CB 3.36Å; D56-N87 HydrophobicContact CB-CB 4.4Å; D56-N87 PolarHBondContact OD1-ND2 3.4Å; D56-V88 HydrophobicContact CB-CG2 3.95Å; D56-V88 WeakPolarHBondContact O-CG2 3.46Å
57	F	98.1	Very high	94.1	Very high	19 Å²	19	85.4 Å²	85.4	8%	0.083	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-4.5	177	-64.5	-86	0	0	0	113.9	L52 M53 P54 D55 C85 V88 L150 Q151 H154	L52-F57 HydrophobicContact CB-CE2 3.89Å; L52-F57 HydrophobicContact CB-CZ 4.22Å; L52-F57 HydrophobicContact CD1-CE2 4.32Å; L52-F57 HydrophobicContact CD1-CZ 3.85Å; M53-F57 WeakPolarHBondContact O-CD2 3.26Å; P54-F57 PolarHBondContact O-N 3.03Å; D55-F57 PolarHBondContact O-N 2.68Å; F57-C85 PolarHBondContact O-SG 3.12Å; F57-V88 HydrophobicContact CD1-CG1 4Å; F57-V88 HydrophobicContact CD1-CG2 3.82Å; F57-V88 HydrophobicContact CD2-CG2 4.44Å; F57-V88 HydrophobicContact CE1-CB 4.4Å; F57-V88 HydrophobicContact CE1-CG1 3.55Å; F57-V88 HydrophobicContact CE1-CG2 3.89Å; F57-V88 HydrophobicContact CG-CG2 4.1Å; F57-V88 HydrophobicContact CZ-CG1 4.26Å; F57-V88 HydrophobicContact CZ-CG2 4.26Å; F57-L150 HydrophobicContact CD1-CB 4.33Å; F57-L150 HydrophobicContact CD1-CD2 4.1Å; F57-L150 HydrophobicContact CD1-CG 3.92Å; F57-L150 HydrophobicContact CE1-CG 4.29Å; F57-Q151 HydrophobicContact CD1-CB 3.8Å; F57-Q151 HydrophobicContact CD1-CG 4.31Å; F57-Q151 HydrophobicContact CD2-CG 4.31Å; F57-Q151 VanDerWaalsContact CE1-CA 3.41Å; F57-Q151 HydrophobicContact CE1-CB 3.9Å; F57-Q151 HydrophobicContact CE1-CG 4.12Å; F57-Q151 HydrophobicContact CE2-CG 4.11Å; F57-Q151 HydrophobicContact CG-CB 4.16Å; F57-Q151 HydrophobicContact CG-CG 4.41Å; F57-Q151 HydrophobicContact CZ-CB 4.31Å; F57-Q151 HydrophobicContact CZ-CG 4Å; F57-H154 HydrophobicContact CE1-CB 4.02Å; F57-H154 HydrophobicContact CZ-CB 4.27Å
58	K	97.3	Very high	94.5	Very high	154 Å²	154	85.3 Å²	85.3	67%	0.67	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-13.4	174.8	-60	175.7	-172.9	168.5	0	112.7	D55 D56	D55-K58 CarbonylContact O-C 3.55Å; D55-K58 PolarHBondContact O-N 2.92Å; D56-K58 PolarHBondContact O-N 2.83Å
59	A	97.5	Very high	94.9	Very high	35 Å²	35	87.1 Å²	87.1	29%	0.289	43%	0.425	S	S	.	.			trans	-63	156.2	-178	0	0	0	0	0	112.3	D55 D56 C85	D55-A59 WeakPolarHBondContact O-CB 3.36Å; D55-A59 PolarHBondContact O-N 2.7Å; D56-A59 PolarHBondContact O-N 3.18Å; A59-C85 WeakPolarHBondContact O-CA 3.29Å; A59-C85 PolarHBondContact O-N 3.29Å
60	F	97.6	Very high	95.1	Very high	117 Å²	117	91 Å²	91	51%	0.513	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	151.7	172.4	60.2	-94.5	0	0	0	110.9	K62 K82 E83	F60-K62 HydrophobicContact CD2-CB 4.25Å; F60-K62 HydrophobicContact CE2-CB 4.43Å; F60-K82 HydrophobicContact CB-CD 4.47Å; F60-K82 HydrophobicContact CB-CG 4.3Å; F60-K82 HydrophobicContact CD2-CD 4.35Å; F60-K82 HydrophobicContact CD2-CG 4.44Å; F60-K82 HydrophobicContact CG-CD 4.49Å; F60-E83 CarbonylContact C-O 3.56Å; F60-E83 WeakPolarHBondContact CA-O 3.44Å; F60-E83 VanDerWaalsContact CB-O 3.3Å; F60-E83 WeakPolarHBondContact CB-O 3.38Å
61	S	96.8	Very high	95.3	Very high	24 Å²	24	82 Å²	82	17%	0.168	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.3	163.7	178.9	0	0	0	0	108.9	E42 K82 E83	E42-S61 PolarHBondContact OE2-OG 3.49Å; S61-K82 CarbonylContact O-C 3.55Å; S61-K82 WeakPolarHBondContact O-CA 3.49Å; S61-K82 WeakPolarHBondContact O-CG 3.47Å; S61-E83 PolarHBondContact N-O 2.97Å; S61-E83 PolarHBondContact O-N 3.18Å
62	K	97.4	Very high	95.1	Very high	110 Å²	110	81.5 Å²	81.5	48%	0.478	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	122.6	179.3	-176.6	-175.6	179.2	-172.9	0	110.8	F60 V81 K82	F60-K62 HydrophobicContact CD2-CB 4.25Å; F60-K62 HydrophobicContact CE2-CB 4.43Å; K62-V81 CarbonylContact C-O 3.58Å; K62-V81 WeakPolarHBondContact CA-O 3.21Å; K62-K82 HydrophobicContact CB-CB 4.34Å; K62-K82 HydrophobicContact CB-CG 4.32Å; K62-K82 HydrophobicContact CG-CB 4.24Å
63	I	96.9	Very high	94.7	Very high	26 Å²	26	85.4 Å²	85.4	13%	0.133	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.6	176.2	-55	115.3	0	0	0	109.6	W34 H38 T39 I65 K80 V81	W34-I63 HydrophobicContact CH2-CG2 4Å; W34-I63 HydrophobicContact CZ3-CG2 4.41Å; H38-I63 WeakPolarHBondContact CD2-CD1 3.06Å; T39-I63 HydrophobicContact CG2-CD1 3.91Å; I63-I65 HydrophobicContact CG2-CD1 3.81Å; I63-I65 HydrophobicContact CG2-CG1 4.18Å; I63-K80 CarbonylContact O-C 3.48Å; I63-K80 VanDerWaalsContact O-CA 3.26Å; I63-K80 WeakPolarHBondContact O-CA 3.17Å; I63-V81 PolarHBondContact N-O 2.96Å; I63-V81 PolarHBondContact O-N 3.45Å
64	K	97.1	Very high	94.3	Very high	118 Å²	118	81.3 Å²	81.3	51%	0.513	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.6	171	179.7	-180	-173.6	-119.4	0	108.1	D66 K80	K64-D66 WeakPolarHBondContact CD-OD2 3.4Å; K64-D66 WeakPolarHBondContact CE-OD2 3.43Å; K64-D66 WeakPolarHBondContact CG-OD2 3.37Å; K64-D66 VanDerWaalsContact NZ-CG 3.34Å; K64-D66 IonicContact NZ-OD1 2.94Å; K64-D66 PolarHBondContact NZ-OD1 3.01Å; K64-D66 IonicContact NZ-OD2 2.67Å; K64-D66 PolarHBondContact NZ-OD2 3.06Å; K64-K80 HydrophobicContact CB-CG 4.13Å; K64-K80 HydrophobicContact CG-CG 3.94Å
65	I	96.4	Very high	94.2	Very high	35 Å²	35	78.2 Å²	78.2	18%	0.179	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.7	177.6	-59.8	-59.5	0	0	0	108.8	W34 I63 N67 H78 F79	W34-I65 HydrophobicContact CH2-CD1 3.65Å; W34-I65 HydrophobicContact CH2-CG1 3.58Å; W34-I65 HydrophobicContact CZ2-CD1 3.87Å; W34-I65 HydrophobicContact CZ2-CG1 3.93Å; W34-I65 HydrophobicContact CZ3-CG1 4.09Å; I63-I65 HydrophobicContact CG2-CD1 3.81Å; I63-I65 HydrophobicContact CG2-CG1 4.18Å; I65-N67 WeakPolarHBondContact CG2-ND2 3.47Å; I65-N67 WeakPolarHBondContact CG2-OD1 3.36Å; I65-H78 WeakPolarHBondContact O-CA 3.36Å; I65-F79 HydrophobicContact CB-CD1 4.14Å; I65-F79 HydrophobicContact CB-CD2 4.19Å; I65-F79 HydrophobicContact CB-CE1 3.72Å; I65-F79 HydrophobicContact CB-CE2 3.76Å; I65-F79 HydrophobicContact CB-CG 4.37Å; I65-F79 HydrophobicContact CB-CZ 3.52Å; I65-F79 HydrophobicContact CG1-CD2 4.27Å; I65-F79 HydrophobicContact CG1-CE1 4.26Å; I65-F79 HydrophobicContact CG1-CE2 3.52Å; I65-F79 HydrophobicContact CG1-CZ 3.52Å; I65-F79 HydrophobicContact CG2-CD1 4.3Å; I65-F79 HydrophobicContact CG2-CE1 3.58Å; I65-F79 HydrophobicContact CG2-CE2 4.4Å; I65-F79 HydrophobicContact CG2-CZ 3.65Å; I65-F79 PolarHBondContact N-O 2.72Å; I65-F79 PolarHBondContact O-N 3.32Å; I65-F79 VanDerWaalsContact O-N 3.11Å
66	D	95	Very high	94	Very high	81 Å²	81	73.3 Å²	73.3	43%	0.433	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	83.9	177.3	-66.9	-70.1	0	0	0	108.9	K64 H78	K64-D66 WeakPolarHBondContact CD-OD2 3.4Å; K64-D66 WeakPolarHBondContact CE-OD2 3.43Å; K64-D66 WeakPolarHBondContact CG-OD2 3.37Å; K64-D66 VanDerWaalsContact NZ-CG 3.34Å; K64-D66 IonicContact NZ-OD1 2.94Å; K64-D66 PolarHBondContact NZ-OD1 3.01Å; K64-D66 IonicContact NZ-OD2 2.67Å; K64-D66 PolarHBondContact NZ-OD2 3.06Å; D66-H78 IonicContact OD1-CE1 3.49Å; D66-H78 IonicContact OD1-CG 3.05Å; D66-H78 IonicContact OD1-ND1 3.07Å; D66-H78 PolarHBondContact OD1-ND1 2.83Å
67	N	93.4	Very high	93.9	Very high	31 Å²	31	74 Å²	74	17%	0.166	36%	0.361	C	S	.	.			trans	-83.5	128.7	-179.2	-67.5	-33.3	0	0	0	111	I65 F70 S77	I65-N67 WeakPolarHBondContact CG2-ND2 3.47Å; I65-N67 WeakPolarHBondContact CG2-OD1 3.36Å; N67-F70 HydrophobicContact CB-CB 4.48Å; N67-S77 PolarHBondContact N-O 2.82Å
68	H	94.2	Very high	93.7	Very high	157 Å²	157	78.2 Å²	78.2	73%	0.727	38%	0.381	S	S	*	.	S	Bend	trans	-114.5	116.3	171.2	-176.9	-112.1	0	0	0	110	F70	H68-F70 PolarHBondContact O-N 3.26Å; H68-F70 VanDerWaalsContact O-N 3.1Å
69	L	91.3	Very high	93.7	Very high	132 Å²	132	71.2 Å²	71.2	69%	0.691	35%	0.35	S	S	*	.	S	Bend	trans	55.1	24.4	-178.2	-58	174.8	0	0	0	114.9
70	F	91.5	Very high	93.8	Very high	137 Å²	137	72.8 Å²	72.8	60%	0.601	35%	0.35	S	S	*	.	S	Bend	trans	-124.7	138.9	-179.2	179.5	-109.9	0	0	0	111.3	N67 H68 K72	N67-F70 HydrophobicContact CB-CB 4.48Å; H68-F70 PolarHBondContact O-N 3.26Å; H68-F70 VanDerWaalsContact O-N 3.1Å; F70-K72 PolarHBondContact O-N 2.91Å
71	N	88.2	Confident	93.8	Very high	67 Å²	67	67.2 Å²	67.2	36%	0.358	33%	0.326	S	S	.	.	S	Bend	trans	48.8	24.9	174.5	-159.5	22	0	0	0	116.9	E73 S74 M75	N71-E73 PolarHBondContact O-N 2.66Å; N71-E73 VanDerWaalsContact O-N 3.07Å; N71-S74 PolarHBondContact O-N 3.36Å; N71-S74 VanDerWaalsContact O-N 3.13Å; N71-S74 WeakPolarHBondContact OD1-CB 3.28Å; N71-M75 WeakPolarHBondContact ND2-CG 3.49Å; N71-M75 PolarHBondContact O-N 2.69Å; N71-M75 VanDerWaalsContact O-N 3.11Å
72	K	87.2	Confident	93.9	Very high	122 Å²	122	67.5 Å²	67.5	53%	0.53	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.2	-177.2	-68.5	-170.9	170	-172.1	0	114.2	F70	F70-K72 PolarHBondContact O-N 2.91Å
73	E	86.7	Confident	93.9	Very high	108 Å²	108	62.4 Å²	62.4	51%	0.505	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-22.8	179.5	-68	-176.8	-164.5	0	0	113.3	K18 R23 N71	K18-E73 IonicContact NZ-OE1 3.32Å; K18-E73 IonicContact NZ-OE2 3.25Å; R23-E73 VanDerWaalsContact CZ-O 3.26Å; R23-E73 PolarHBondContact NH1-O 2.7Å; N71-E73 PolarHBondContact O-N 2.66Å; N71-E73 VanDerWaalsContact O-N 3.07Å
74	S	88	Confident	94	Very high	20 Å²	20	62 Å²	62	14%	0.14	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-29.2	-172.2	-53.7	0	0	0	0	113.1	S30 N71	S30-S74 PolarHBondContact OG-O 3.2Å; N71-S74 PolarHBondContact O-N 3.36Å; N71-S74 VanDerWaalsContact O-N 3.13Å; N71-S74 WeakPolarHBondContact OD1-CB 3.28Å
75	M	93.4	Very high	94	Very high	10 Å²	10	56.3 Å²	56.3	5%	0.049	27%	0.274	C	S	.	.	S	Bend	trans	-129.6	148.3	-173.5	-68.2	-64.3	-67.4	0	0	111.4	F22 V31 W34 N71 F79	F22-M75 HydrophobicContact CB-SD 4.32Å; V31-M75 HydrophobicContact CG2-CE 4.05Å; W34-M75 HydrophobicContact CB-CE 3.43Å; W34-M75 VanDerWaalsContact CB-CE 3.43Å; W34-M75 HydrophobicContact CB-SD 4.04Å; W34-M75 HydrophobicContact CD2-CE 4.27Å; W34-M75 HydrophobicContact CG-CE 3.57Å; W34-M75 HydrophobicContact CG-SD 4.38Å; N71-M75 WeakPolarHBondContact ND2-CG 3.49Å; N71-M75 PolarHBondContact O-N 2.69Å; N71-M75 VanDerWaalsContact O-N 3.11Å; M75-F79 HydrophobicContact CB-CE1 4.37Å; M75-F79 HydrophobicContact CE-CD1 4.33Å; M75-F79 HydrophobicContact CE-CE1 3.58Å; M75-F79 HydrophobicContact CE-CE2 4.01Å; M75-F79 HydrophobicContact CE-CZ 3.37Å
76	P	93.3	Very high	94.1	Very high	17 Å²	17	55.4 Å²	55.4	11%	0.11	27%	0.271	C	S	.	.			trans	-55.6	148.4	165.6	-24.9	36.9	0	0	0	111.2	P27 V31 H78 F79 V177	P27-P76 HydrophobicContact CB-CG 3.84Å; V31-P76 HydrophobicContact CG2-CG 3.86Å; P76-H78 VanDerWaalsContact C-N 3.34Å; P76-F79 HydrophobicContact CB-CD1 4.26Å; P76-F79 WeakPolarHBondContact O-CD1 3.5Å; P76-F79 WeakPolarHBondContact O-CE1 3.26Å; P76-V177 HydrophobicContact CB-CG1 4.14Å; P76-V177 HydrophobicContact CG-CG1 3.8Å
77	S	93.8	Very high	94.2	Very high	35 Å²	35	52.7 Å²	52.7	25%	0.245	26%	0.256	C	S	.	.	S	Bend	trans	-70.3	-32.9	-179.9	-63.2	0	0	0	0	112.1	N67	N67-S77 PolarHBondContact N-O 2.82Å
78	H	95.4	Very high	94.4	Very high	107 Å²	107	51.2 Å²	51.2	50%	0.495	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.7	-178.9	-56.4	-78.4	0	0	0	110.2	I65 D66 P76	I65-H78 WeakPolarHBondContact O-CA 3.36Å; D66-H78 IonicContact OD1-CE1 3.49Å; D66-H78 IonicContact OD1-CG 3.05Å; D66-H78 IonicContact OD1-ND1 3.07Å; D66-H78 PolarHBondContact OD1-ND1 2.83Å; P76-H78 VanDerWaalsContact C-N 3.34Å
79	F	97.3	Very high	94.6	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	164.7	175.6	61.6	-90.6	0	0	0	111.6	V31 W34 I65 M75 P76 V81 T176	V31-F79 HydrophobicContact CB-CD2 4.37Å; V31-F79 HydrophobicContact CG1-CB 4.09Å; V31-F79 HydrophobicContact CG1-CD2 3.6Å; V31-F79 HydrophobicContact CG1-CE2 4.32Å; V31-F79 HydrophobicContact CG1-CG 4.06Å; V31-F79 HydrophobicContact CG2-CB 3.75Å; V31-F79 HydrophobicContact CG2-CD1 4.04Å; V31-F79 HydrophobicContact CG2-CD2 3.9Å; V31-F79 HydrophobicContact CG2-CG 3.63Å; W34-F79 AromaticContact CD2-CE2 3.9Å; W34-F79 HydrophobicContact CD2-CE2 3.9Å; W34-F79 AromaticContact CD2-CZ 3.96Å; W34-F79 HydrophobicContact CD2-CZ 3.96Å; W34-F79 AromaticContact CE3-CE2 3.48Å; W34-F79 HydrophobicContact CE3-CE2 3.48Å; W34-F79 VanDerWaalsContact CE3-CE2 3.48Å; W34-F79 HydrophobicContact CE3-CZ 4.02Å; W34-F79 HydrophobicContact CG-CZ 4.45Å; W34-F79 HydrophobicContact CH2-CE2 4.3Å; W34-F79 AromaticContact CZ3-CE2 3.72Å; W34-F79 HydrophobicContact CZ3-CE2 3.72Å; W34-F79 HydrophobicContact CZ3-CZ 4.37Å; I65-F79 HydrophobicContact CB-CD1 4.14Å; I65-F79 HydrophobicContact CB-CD2 4.19Å; I65-F79 HydrophobicContact CB-CE1 3.72Å; I65-F79 HydrophobicContact CB-CE2 3.76Å; I65-F79 HydrophobicContact CB-CG 4.37Å; I65-F79 HydrophobicContact CB-CZ 3.52Å; I65-F79 HydrophobicContact CG1-CD2 4.27Å; I65-F79 HydrophobicContact CG1-CE1 4.26Å; I65-F79 HydrophobicContact CG1-CE2 3.52Å; I65-F79 HydrophobicContact CG1-CZ 3.52Å; I65-F79 HydrophobicContact CG2-CD1 4.3Å; I65-F79 HydrophobicContact CG2-CE1 3.58Å; I65-F79 HydrophobicContact CG2-CE2 4.4Å; I65-F79 HydrophobicContact CG2-CZ 3.65Å; I65-F79 PolarHBondContact N-O 2.72Å; I65-F79 PolarHBondContact O-N 3.32Å; I65-F79 VanDerWaalsContact O-N 3.11Å; M75-F79 HydrophobicContact CB-CE1 4.37Å; M75-F79 HydrophobicContact CE-CD1 4.33Å; M75-F79 HydrophobicContact CE-CE1 3.58Å; M75-F79 HydrophobicContact CE-CE2 4.01Å; M75-F79 HydrophobicContact CE-CZ 3.37Å; P76-F79 HydrophobicContact CB-CD1 4.26Å; P76-F79 WeakPolarHBondContact O-CD1 3.5Å; P76-F79 WeakPolarHBondContact O-CE1 3.26Å; F79-V81 HydrophobicContact CD2-CG2 4.23Å; F79-V81 HydrophobicContact CE2-CG2 4.39Å; F79-T176 CarbonylContact C-O 3.46Å; F79-T176 WeakPolarHBondContact CA-O 3.44Å; F79-T176 VanDerWaalsContact CB-O 3.27Å; F79-T176 WeakPolarHBondContact CB-O 3.16Å
80	K	98	Very high	94.8	Very high	67 Å²	67	38.5 Å²	38.5	29%	0.291	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.6	174.4	-54.8	169.1	-172	163.8	0	109.4	I63 K64 L175 T176	I63-K80 CarbonylContact O-C 3.48Å; I63-K80 VanDerWaalsContact O-CA 3.26Å; I63-K80 WeakPolarHBondContact O-CA 3.17Å; K64-K80 HydrophobicContact CB-CG 4.13Å; K64-K80 HydrophobicContact CG-CG 3.94Å; K80-L175 WeakPolarHBondContact O-CA 3.47Å; K80-T176 HydrophobicContact CD-CG2 4.5Å; K80-T176 PolarHBondContact N-O 2.82Å; K80-T176 PolarHBondContact O-N 3.14Å
81	V	98.3	Very high	95	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133	171.4	179.5	0	0	0	0	107.4	V31 W34 T39 K62 I63 F79 R174 L175	V31-V81 HydrophobicContact CG1-CG2 3.76Å; W34-V81 HydrophobicContact CE3-CG2 4.05Å; W34-V81 HydrophobicContact CZ3-CG2 4.09Å; T39-V81 HydrophobicContact CG2-CG1 4.4Å; K62-V81 CarbonylContact C-O 3.58Å; K62-V81 WeakPolarHBondContact CA-O 3.21Å; I63-V81 PolarHBondContact N-O 2.96Å; I63-V81 PolarHBondContact O-N 3.45Å; F79-V81 HydrophobicContact CD2-CG2 4.23Å; F79-V81 HydrophobicContact CE2-CG2 4.39Å; V81-R174 CarbonylContact C-O 3.57Å; V81-L175 HydrophobicContact CG1-CD2 4.17Å; V81-L175 HydrophobicContact CG2-CD2 4.17Å
82	K	98.4	Very high	95.4	Very high	30 Å²	30	29.6 Å²	29.6	13%	0.13	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.2	170.6	178	-179	177.7	178.3	0	108.7	F60 S61 K62 Y84 Y173 R174	F60-K82 HydrophobicContact CB-CD 4.47Å; F60-K82 HydrophobicContact CB-CG 4.3Å; F60-K82 HydrophobicContact CD2-CD 4.35Å; F60-K82 HydrophobicContact CD2-CG 4.44Å; F60-K82 HydrophobicContact CG-CD 4.49Å; S61-K82 CarbonylContact O-C 3.55Å; S61-K82 WeakPolarHBondContact O-CA 3.49Å; S61-K82 WeakPolarHBondContact O-CG 3.47Å; K62-K82 HydrophobicContact CB-CB 4.34Å; K62-K82 HydrophobicContact CB-CG 4.32Å; K62-K82 HydrophobicContact CG-CB 4.24Å; K82-Y84 HydrophobicContact CD-CD1 4.49Å; K82-Y84 HydrophobicContact CD-CE1 3.91Å; K82-Y84 HydrophobicContact CD-CE2 4.24Å; K82-Y84 HydrophobicContact CG-CE2 4.35Å; K82-Y84 VanDerWaalsContact NZ-CE1 3.35Å; K82-Y173 CarbonylContact O-C 3.55Å; K82-Y173 VanDerWaalsContact O-CA 3.26Å; K82-Y173 WeakPolarHBondContact O-CA 3.34Å; K82-R174 HydrophobicContact CB-CB 4.23Å; K82-R174 PolarHBondContact N-O 2.69Å; K82-R174 PolarHBondContact O-N 2.56Å
83	E	98.4	Very high	95.8	Very high	3 Å²	3	23.9 Å²	23.9	1%	0.014	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132	168.2	-177.4	174.5	-126.5	0	0	108.9	T39 F60 S61 P86 Y173	T39-E83 VanDerWaalsContact CB-OE2 3.26Å; T39-E83 WeakPolarHBondContact CB-OE2 3.49Å; T39-E83 HydrophobicContact CG2-CB 4.06Å; T39-E83 PolarHBondContact OG1-OE1 3.42Å; T39-E83 PolarHBondContact OG1-OE2 2.99Å; F60-E83 CarbonylContact C-O 3.56Å; F60-E83 WeakPolarHBondContact CA-O 3.44Å; F60-E83 VanDerWaalsContact CB-O 3.3Å; F60-E83 WeakPolarHBondContact CB-O 3.38Å; S61-E83 PolarHBondContact N-O 2.97Å; S61-E83 PolarHBondContact O-N 3.18Å; E83-P86 HydrophobicContact CB-CG 4.45Å; E83-P86 HydrophobicContact CG-CB 4.43Å; E83-P86 HydrophobicContact CG-CG 4.07Å; E83-Y173 HydrophobicContact CB-CD1 3.98Å; E83-Y173 HydrophobicContact CB-CE1 3.97Å; E83-Y173 HydrophobicContact CG-CD1 4.05Å; E83-Y173 HydrophobicContact CG-CE1 3.64Å; E83-Y173 VanDerWaalsContact OE1-CE1 3.27Å; E83-Y173 WeakPolarHBondContact OE1-CE1 3.25Å; E83-Y173 PolarHBondContact OE1-OH 2.84Å
84	Y	98.6	Very high	96.2	Very high	17 Å²	17	23.8 Å²	23.8	7%	0.067	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	139.9	178	-65.4	-91.5	0	0	0	110.1	K82 F89 V143 H147 M172 R174	K82-Y84 HydrophobicContact CD-CD1 4.49Å; K82-Y84 HydrophobicContact CD-CE1 3.91Å; K82-Y84 HydrophobicContact CD-CE2 4.24Å; K82-Y84 HydrophobicContact CG-CE2 4.35Å; K82-Y84 VanDerWaalsContact NZ-CE1 3.35Å; Y84-F89 WeakPolarHBondContact O-CD2 3.45Å; Y84-F89 VanDerWaalsContact O-CE2 3.31Å; Y84-F89 WeakPolarHBondContact O-CE2 3.5Å; Y84-V143 HydrophobicContact CE1-CG1 4.49Å; Y84-H147 AromaticContact CD1-CE1 3.84Å; Y84-H147 AromaticContact CD1-NE2 3.17Å; Y84-H147 WeakPolarHBondContact CD1-NE2 3.35Å; Y84-H147 AromaticContact CE1-NE2 3.76Å; Y84-H147 AromaticContact CG-NE2 3.84Å; Y84-M172 HydrophobicContact CD1-CE 4.21Å; Y84-M172 HydrophobicContact CD2-CE 4.01Å; Y84-M172 HydrophobicContact CD2-CG 4.06Å; Y84-M172 HydrophobicContact CG-CE 3.65Å; Y84-M172 PolarHBondContact N-O 2.88Å; Y84-R174 HydrophobicContact CE2-CB 3.68Å
85	C	98.1	Very high	96.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	45.3	53.3	175.8	-54.9	0	0	0	0	115	D56 F57 A59 N87 V88 F89 H147 L150	D56-C85 WeakPolarHBondContact O-CB 3.36Å; F57-C85 PolarHBondContact O-SG 3.12Å; A59-C85 WeakPolarHBondContact O-CA 3.29Å; A59-C85 PolarHBondContact O-N 3.29Å; C85-N87 VanDerWaalsContact C-N 3.34Å; C85-N87 PolarHBondContact O-N 3.11Å; C85-V88 HydrophobicContact CB-CB 3.9Å; C85-V88 HydrophobicContact CB-CG2 3.83Å; C85-V88 WeakPolarHBondContact O-CB 3.15Å; C85-V88 PolarHBondContact O-N 3.4Å; C85-F89 HydrophobicContact CB-CD2 4.16Å; C85-F89 HydrophobicContact CB-CE2 4.11Å; C85-F89 WeakPolarHBondContact O-CD2 3.4Å; C85-F89 PolarHBondContact O-N 3.22Å; C85-F89 VanDerWaalsContact O-N 3.1Å; C85-H147 VanDerWaalsContact SG-CE1 3.52Å; C85-L150 HydrophobicContact CB-CD2 3.74Å; C85-L150 VanDerWaalsContact SG-CD2 3.6Å
86	P	97.4	Very high	96.5	Very high	15 Å²	15	25.4 Å²	25.4	10%	0.097	12%	0.124	C	C	.	.	H	α-helix	trans	-53.6	-45	-170.6	-25.5	34.2	0	0	0	114	L43 E83 V88 F89 R90	L43-P86 HydrophobicContact CD1-CB 4.11Å; L43-P86 HydrophobicContact CD2-CB 4.37Å; E83-P86 HydrophobicContact CB-CG 4.45Å; E83-P86 HydrophobicContact CG-CB 4.43Å; E83-P86 HydrophobicContact CG-CG 4.07Å; P86-V88 VanDerWaalsContact C-N 3.32Å; P86-V88 PolarHBondContact O-N 3.1Å; P86-F89 PolarHBondContact O-N 3.06Å; P86-R90 WeakPolarHBondContact O-CB 2.98Å; P86-R90 PolarHBondContact O-N 3.48Å
87	N	97	Very high	96.5	Very high	25 Å²	25	26.1 Å²	26.1	13%	0.134	13%	0.134	C	C	.	.	H	α-helix	trans	-64.6	-34.6	178.3	-73.9	-35.7	0	0	0	113.3	V49 L52 D56 C85 R90 S91	V49-N87 HydrophobicContact CG2-CB 4.41Å; L52-N87 HydrophobicContact CD2-CB 3.98Å; D56-N87 HydrophobicContact CB-CB 4.4Å; D56-N87 PolarHBondContact OD1-ND2 3.4Å; C85-N87 VanDerWaalsContact C-N 3.34Å; C85-N87 PolarHBondContact O-N 3.11Å; N87-R90 PolarHBondContact OD1-NH2 3.48Å; N87-S91 WeakPolarHBondContact O-CB 3.09Å; N87-S91 PolarHBondContact O-N 3.32Å
88	V	97.9	Very high	96.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-69.4	-46.5	179.2	-174.2	0	0	0	0	110	L52 D56 F57 C85 P86 S91 L92 L150	L52-V88 HydrophobicContact CD1-CB 4.38Å; L52-V88 HydrophobicContact CD1-CG1 4.23Å; L52-V88 HydrophobicContact CD1-CG2 4.23Å; L52-V88 HydrophobicContact CD2-CG2 4.45Å; D56-V88 HydrophobicContact CB-CG2 3.95Å; D56-V88 WeakPolarHBondContact O-CG2 3.46Å; F57-V88 HydrophobicContact CD1-CG1 4Å; F57-V88 HydrophobicContact CD1-CG2 3.82Å; F57-V88 HydrophobicContact CD2-CG2 4.44Å; F57-V88 HydrophobicContact CE1-CB 4.4Å; F57-V88 HydrophobicContact CE1-CG1 3.55Å; F57-V88 HydrophobicContact CE1-CG2 3.89Å; F57-V88 HydrophobicContact CG-CG2 4.1Å; F57-V88 HydrophobicContact CZ-CG1 4.26Å; F57-V88 HydrophobicContact CZ-CG2 4.26Å; C85-V88 HydrophobicContact CB-CB 3.9Å; C85-V88 HydrophobicContact CB-CG2 3.83Å; C85-V88 WeakPolarHBondContact O-CB 3.15Å; C85-V88 PolarHBondContact O-N 3.4Å; P86-V88 VanDerWaalsContact C-N 3.32Å; P86-V88 PolarHBondContact O-N 3.1Å; V88-S91 WeakPolarHBondContact O-CB 3.42Å; V88-S91 PolarHBondContact O-N 3.06Å; V88-L92 HydrophobicContact CG1-CD1 4.38Å; V88-L92 WeakPolarHBondContact O-CG 3.38Å; V88-L92 PolarHBondContact O-N 3.17Å; V88-L150 HydrophobicContact CB-CD2 4.37Å; V88-L150 HydrophobicContact CG1-CD1 4.1Å; V88-L150 HydrophobicContact CG1-CD2 4Å; V88-L150 HydrophobicContact CG1-CG 3.94Å
89	F	97.8	Very high	96.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-70.5	-31.4	177.7	-72.4	-70.8	0	0	0	113.1	Y84 C85 P86 L92 R93 L150 M172	Y84-F89 WeakPolarHBondContact O-CD2 3.45Å; Y84-F89 VanDerWaalsContact O-CE2 3.31Å; Y84-F89 WeakPolarHBondContact O-CE2 3.5Å; C85-F89 HydrophobicContact CB-CD2 4.16Å; C85-F89 HydrophobicContact CB-CE2 4.11Å; C85-F89 WeakPolarHBondContact O-CD2 3.4Å; C85-F89 PolarHBondContact O-N 3.22Å; C85-F89 VanDerWaalsContact O-N 3.1Å; P86-F89 PolarHBondContact O-N 3.06Å; F89-L92 HydrophobicContact CD1-CD1 3.9Å; F89-L92 HydrophobicContact CE1-CD1 4.2Å; F89-L92 PolarHBondContact O-N 2.72Å; F89-R93 WeakPolarHBondContact O-CB 3.5Å; F89-R93 WeakPolarHBondContact O-CG 3.18Å; F89-R93 PolarHBondContact O-N 3.05Å; F89-R93 PolarHBondContact O-NE 3.17Å; F89-L150 HydrophobicContact CE1-CD1 4.38Å; F89-L150 HydrophobicContact CZ-CD1 4.15Å; F89-M172 HydrophobicContact CE1-CB 4.49Å; F89-M172 HydrophobicContact CE2-CB 3.66Å; F89-M172 HydrophobicContact CZ-CB 3.6Å
90	R	96.3	Very high	96.2	Very high	22 Å²	22	27.3 Å²	27.3	8%	0.083	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-46.9	166.7	175.4	171.3	63.8	165.6	6.3	111.9	L43 Q46 L47 P86 N87 L92 R93 E94	L43-R90 HydrophobicContact CD2-CB 3.65Å; L43-R90 HydrophobicContact CD2-CG 4.13Å; L43-R90 PolarHBondContact O-NH1 3.34Å; Q46-R90 PolarHBondContact O-NH1 2.94Å; L47-R90 PolarHBondContact O-NH1 3.29Å; L47-R90 PolarHBondContact O-NH2 3.47Å; P86-R90 WeakPolarHBondContact O-CB 2.98Å; P86-R90 PolarHBondContact O-N 3.48Å; N87-R90 PolarHBondContact OD1-NH2 3.48Å; R90-L92 PolarHBondContact O-N 3.35Å; R90-R93 PolarHBondContact O-N 3.31Å; R90-E94 PolarHBondContact O-N 3.34Å
91	S	95.6	Very high	96	Very high	17 Å²	17	26 Å²	26	12%	0.119	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-43.5	175.7	-176.3	0	0	0	0	111.7	N87 V88 E94 K95 H154	N87-S91 WeakPolarHBondContact O-CB 3.09Å; N87-S91 PolarHBondContact O-N 3.32Å; V88-S91 WeakPolarHBondContact O-CB 3.42Å; V88-S91 PolarHBondContact O-N 3.06Å; S91-E94 WeakPolarHBondContact O-CB 3.39Å; S91-E94 PolarHBondContact O-N 3.02Å; S91-K95 WeakPolarHBondContact O-CG 3.47Å; S91-K95 PolarHBondContact O-N 3.17Å; S91-H154 PolarHBondContact OG-NE2 3.03Å; S91-H154 VanDerWaalsContact OG-NE2 3.1Å
92	L	97	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-44.5	176	-73.6	168.6	0	0	0	112	V88 F89 R90 E94 K95 F96 L150 Y153 V157	V88-L92 HydrophobicContact CG1-CD1 4.38Å; V88-L92 WeakPolarHBondContact O-CG 3.38Å; V88-L92 PolarHBondContact O-N 3.17Å; F89-L92 HydrophobicContact CD1-CD1 3.9Å; F89-L92 HydrophobicContact CE1-CD1 4.2Å; F89-L92 PolarHBondContact O-N 2.72Å; R90-L92 PolarHBondContact O-N 3.35Å; L92-E94 VanDerWaalsContact C-N 3.33Å; L92-E94 PolarHBondContact O-N 2.82Å; L92-K95 PolarHBondContact O-N 3.27Å; L92-F96 HydrophobicContact CB-CD2 4.24Å; L92-F96 HydrophobicContact CB-CE2 3.92Å; L92-F96 HydrophobicContact CD2-CE2 4.04Å; L92-F96 HydrophobicContact CD2-CZ 4.12Å; L92-F96 WeakPolarHBondContact O-CB 3.21Å; L92-F96 WeakPolarHBondContact O-CD2 3.28Å; L92-F96 VanDerWaalsContact O-CG 3.28Å; L92-F96 WeakPolarHBondContact O-CG 3.28Å; L92-F96 PolarHBondContact O-N 2.72Å; L92-L150 HydrophobicContact CD1-CD1 4.31Å; L92-Y153 HydrophobicContact CD1-CD1 4.28Å; L92-Y153 HydrophobicContact CD1-CE1 3.89Å; L92-Y153 HydrophobicContact CD2-CD1 4.25Å; L92-Y153 HydrophobicContact CD2-CE1 3.78Å; L92-V157 HydrophobicContact CD2-CB 4.35Å; L92-V157 HydrophobicContact CD2-CG1 4.25Å; L92-V157 HydrophobicContact CD2-CG2 4.31Å
93	R	96.3	Very high	95.6	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-56.7	-46.4	175.4	-78.1	-178.8	-66.9	170.8	10.2	111.7	F89 R90 K95 F96 G97 V98 E100 V170	F89-R93 WeakPolarHBondContact O-CB 3.5Å; F89-R93 WeakPolarHBondContact O-CG 3.18Å; F89-R93 PolarHBondContact O-N 3.05Å; F89-R93 PolarHBondContact O-NE 3.17Å; R90-R93 PolarHBondContact O-N 3.31Å; R93-K95 PolarHBondContact O-N 3.35Å; R93-F96 CarbonylContact O-C 3.57Å; R93-F96 PolarHBondContact O-N 3.14Å; R93-G97 PolarHBondContact O-N 2.99Å; R93-V98 HydrophobicContact CB-CB 4.1Å; R93-V98 HydrophobicContact CB-CG1 4.4Å; R93-V98 HydrophobicContact CG-CB 4.25Å; R93-V98 HydrophobicContact CG-CG1 4.18Å; R93-V98 PolarHBondContact O-N 3.4Å; R93-E100 IonicContact CZ-OE1 3.5Å; R93-E100 IonicContact CZ-OE2 2.74Å; R93-E100 IonicContact NE-OE1 3.06Å; R93-E100 PolarHBondContact NE-OE1 3.46Å; R93-E100 IonicContact NE-OE2 2.73Å; R93-E100 IonicContact NH1-OE1 2.71Å; R93-E100 IonicContact NH1-OE2 3.57Å; R93-E100 PolarHBondContact NH1-OE2 3.37Å; R93-E100 IonicContact NH2-OE1 3.24Å; R93-E100 PolarHBondContact NH2-OE1 3.02Å; R93-E100 IonicContact NH2-OE2 2.69Å; R93-E100 PolarHBondContact NH2-OE2 3.34Å; R93-V170 WeakPolarHBondContact CD-O 3.34Å; R93-V170 HydrophobicContact CG-CB 3.7Å; R93-V170 HydrophobicContact CG-CG1 3.88Å
94	E	93.9	Very high	95.5	Very high	107 Å²	107	30 Å²	30	50%	0.5	16%	0.164	S	C	.	.	H	α-helix	trans	-58.2	-48.3	174.3	-171.8	-157.3	124.7	0	0	111.8	R90 S91 L92 F96 G97	R90-E94 PolarHBondContact O-N 3.34Å; S91-E94 WeakPolarHBondContact O-CB 3.39Å; S91-E94 PolarHBondContact O-N 3.02Å; L92-E94 VanDerWaalsContact C-N 3.33Å; L92-E94 PolarHBondContact O-N 2.82Å; E94-F96 VanDerWaalsContact C-N 3.27Å; E94-F96 PolarHBondContact O-N 2.89Å; E94-G97 PolarHBondContact O-N 3.46Å; E94-G97 VanDerWaalsContact O-N 3.09Å
95	K	93.5	Very high	95.3	Very high	61 Å²	61	34.3 Å²	34.3	27%	0.265	18%	0.183	S	C	.	.	H	α-helix	trans	-64.5	-30	179.2	-62.8	-49.4	170.7	-140.2	0	113.1	S91 L92 R93 G97 V157 S162	S91-K95 WeakPolarHBondContact O-CG 3.47Å; S91-K95 PolarHBondContact O-N 3.17Å; L92-K95 PolarHBondContact O-N 3.27Å; R93-K95 PolarHBondContact O-N 3.35Å; K95-G97 VanDerWaalsContact C-N 3.31Å; K95-V157 HydrophobicContact CB-CG1 4.27Å; K95-S162 WeakPolarHBondContact O-CB 3.34Å; K95-S162 PolarHBondContact O-OG 2.9Å
96	F	94.5	Very high	95.2	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.013	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	3.4	176.2	-62.4	-41.9	0	0	0	114.2	L92 R93 E94 V98 Y153 V157 Q168 V170 R188	L92-F96 HydrophobicContact CB-CD2 4.24Å; L92-F96 HydrophobicContact CB-CE2 3.92Å; L92-F96 HydrophobicContact CD2-CE2 4.04Å; L92-F96 HydrophobicContact CD2-CZ 4.12Å; L92-F96 WeakPolarHBondContact O-CB 3.21Å; L92-F96 WeakPolarHBondContact O-CD2 3.28Å; L92-F96 VanDerWaalsContact O-CG 3.28Å; L92-F96 WeakPolarHBondContact O-CG 3.28Å; L92-F96 PolarHBondContact O-N 2.72Å; R93-F96 CarbonylContact O-C 3.57Å; R93-F96 PolarHBondContact O-N 3.14Å; E94-F96 VanDerWaalsContact C-N 3.27Å; E94-F96 PolarHBondContact O-N 2.89Å; F96-V98 VanDerWaalsContact C-N 3.26Å; F96-V98 HydrophobicContact CB-CG2 4.14Å; F96-V98 PolarHBondContact O-N 2.97Å; F96-Y153 WeakPolarHBondContact CZ-OH 3.42Å; F96-V157 HydrophobicContact CD1-CG1 4.33Å; F96-V157 HydrophobicContact CE1-CB 4.46Å; F96-V157 HydrophobicContact CE1-CG1 3.49Å; F96-V157 VanDerWaalsContact CE1-CG1 3.49Å; F96-V157 HydrophobicContact CE1-CG2 4.05Å; F96-V157 HydrophobicContact CZ-CB 4.46Å; F96-V157 HydrophobicContact CZ-CG1 3.79Å; F96-V157 HydrophobicContact CZ-CG2 3.79Å; F96-Q168 HydrophobicContact CD1-CB 4.23Å; F96-Q168 VanDerWaalsContact CD1-CD 3.44Å; F96-Q168 HydrophobicContact CD1-CG 3.69Å; F96-Q168 HydrophobicContact CD2-CB 3.8Å; F96-Q168 HydrophobicContact CD2-CG 4.19Å; F96-Q168 HydrophobicContact CE1-CB 4.17Å; F96-Q168 HydrophobicContact CE1-CG 3.6Å; F96-Q168 HydrophobicContact CE2-CB 3.71Å; F96-Q168 HydrophobicContact CE2-CG 4.1Å; F96-Q168 HydrophobicContact CG-CB 4.07Å; F96-Q168 HydrophobicContact CG-CG 4.01Å; F96-Q168 HydrophobicContact CZ-CB 3.91Å; F96-Q168 HydrophobicContact CZ-CG 3.82Å; F96-V170 HydrophobicContact CD2-CG1 4.1Å; F96-R188 PolarHBondContact O-NH2 3.01Å
97	G	93.1	Very high	95.1	Very high	31 Å²	31	33.9 Å²	33.9	32%	0.32	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	30.4	-177.2	0	0	0	0	0	112.9	R93 E94 K95	R93-G97 PolarHBondContact O-N 2.99Å; E94-G97 PolarHBondContact O-N 3.46Å; E94-G97 VanDerWaalsContact O-N 3.09Å; K95-G97 VanDerWaalsContact C-N 3.31Å
98	V	93.5	Very high	95	Very high	12 Å²	12	33.6 Å²	33.6	7%	0.073	18%	0.18	C	C	.	.			trans	-95.4	107.6	175.4	176.2	0	0	0	0	108.5	R93 F96 Y103 F133 V170 R188	R93-V98 HydrophobicContact CB-CB 4.1Å; R93-V98 HydrophobicContact CB-CG1 4.4Å; R93-V98 HydrophobicContact CG-CB 4.25Å; R93-V98 HydrophobicContact CG-CG1 4.18Å; R93-V98 PolarHBondContact O-N 3.4Å; F96-V98 VanDerWaalsContact C-N 3.26Å; F96-V98 HydrophobicContact CB-CG2 4.14Å; F96-V98 PolarHBondContact O-N 2.97Å; V98-Y103 HydrophobicContact CG1-CD2 4.14Å; V98-Y103 HydrophobicContact CG1-CG 4.36Å; V98-F133 HydrophobicContact CG1-CE1 4.23Å; V98-F133 HydrophobicContact CG1-CZ 3.76Å; V98-F133 HydrophobicContact CG2-CE1 4.33Å; V98-F133 HydrophobicContact CG2-CZ 4.42Å; V98-V170 HydrophobicContact CG2-CG1 4.32Å; V98-R188 VanDerWaalsContact CG2-NH2 3.28Å
99	E	92.9	Very high	94.8	Very high	131 Å²	131	39.8 Å²	39.8	61%	0.612	21%	0.207	S	C	*	.			trans	-68.5	138.2	174.5	-166.5	-174.3	152	0	0	110.9	G101 D102 Y103	E99-G101 VanDerWaalsContact C-N 3.29Å; E99-G101 PolarHBondContact O-N 2.97Å; E99-D102 HydrophobicContact CB-CB 4.35Å; E99-D102 PolarHBondContact O-N 2.93Å; E99-Y103 WeakPolarHBondContact O-CB 3.35Å; E99-Y103 PolarHBondContact O-N 2.74Å
100	E	93	Very high	94.6	Very high	32 Å²	32	43.6 Å²	43.6	15%	0.15	23%	0.228	C	C	.	.	H	α-helix	trans	-57.6	-40.3	-179.8	-68.8	-68.2	165.7	0	0	112.7	V40 R93 L104	V40-E100 WeakPolarHBondContact CG1-OE2 2.79Å; R93-E100 IonicContact CZ-OE1 3.5Å; R93-E100 IonicContact CZ-OE2 2.74Å; R93-E100 IonicContact NE-OE1 3.06Å; R93-E100 PolarHBondContact NE-OE1 3.46Å; R93-E100 IonicContact NE-OE2 2.73Å; R93-E100 IonicContact NH1-OE1 2.71Å; R93-E100 IonicContact NH1-OE2 3.57Å; R93-E100 PolarHBondContact NH1-OE2 3.37Å; R93-E100 IonicContact NH2-OE1 3.24Å; R93-E100 PolarHBondContact NH2-OE1 3.02Å; R93-E100 IonicContact NH2-OE2 2.69Å; R93-E100 PolarHBondContact NH2-OE2 3.34Å; E100-L104 WeakPolarHBondContact O-CB 3.42Å; E100-L104 PolarHBondContact O-N 2.81Å
101	G	94	Very high	94.4	Very high	38 Å²	38	45.6 Å²	45.6	39%	0.392	24%	0.238	S	C	.	.	H	α-helix	trans	-64.2	-44.6	178	0	0	0	0	0	112.5	E99 L104 K105	E99-G101 VanDerWaalsContact C-N 3.29Å; E99-G101 PolarHBondContact O-N 2.97Å; G101-L104 PolarHBondContact O-N 2.69Å; G101-K105 VanDerWaalsContact O-CB 3.28Å; G101-K105 WeakPolarHBondContact O-CB 3.44Å; G101-K105 PolarHBondContact O-N 3.09Å
102	D	93.4	Very high	94.4	Very high	85 Å²	85	44.8 Å²	44.8	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-70	-39.8	177.6	-79.7	-21.8	0	0	0	112.1	E99 L104 K105 S106	E99-D102 HydrophobicContact CB-CB 4.35Å; E99-D102 PolarHBondContact O-N 2.93Å; D102-L104 PolarHBondContact O-N 3.37Å; D102-K105 PolarHBondContact O-N 2.83Å; D102-S106 VanDerWaalsContact O-CB 3.24Å; D102-S106 WeakPolarHBondContact O-CB 3.5Å; D102-S106 PolarHBondContact O-N 3.49Å; D102-S106 PolarHBondContact O-OG 3.19Å
103	Y	96.2	Very high	94.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.6	-50.2	172.8	178.7	-104.8	0	0	0	111.4	I36 V40 V98 E99 S106 L107 F133 V170 Y173 V186	I36-Y103 HydrophobicContact CG2-CE1 4.08Å; V40-Y103 HydrophobicContact CG2-CD1 4.07Å; V40-Y103 HydrophobicContact CG2-CE1 3.88Å; V98-Y103 HydrophobicContact CG1-CD2 4.14Å; V98-Y103 HydrophobicContact CG1-CG 4.36Å; E99-Y103 WeakPolarHBondContact O-CB 3.35Å; E99-Y103 PolarHBondContact O-N 2.74Å; Y103-S106 PolarHBondContact O-N 3.07Å; Y103-L107 HydrophobicContact CD1-CD1 4.3Å; Y103-L107 HydrophobicContact CD2-CD1 3.76Å; Y103-L107 HydrophobicContact CE1-CD1 3.88Å; Y103-L107 HydrophobicContact CE2-CD1 3.24Å; Y103-L107 HydrophobicContact CG-CD1 4.27Å; Y103-L107 PolarHBondContact O-N 2.86Å; Y103-F133 HydrophobicContact CD2-CE1 4.07Å; Y103-F133 HydrophobicContact CD2-CE2 4.05Å; Y103-F133 AromaticContact CD2-CZ 3.78Å; Y103-F133 HydrophobicContact CD2-CZ 3.78Å; Y103-F133 HydrophobicContact CE2-CE1 4.49Å; Y103-V170 HydrophobicContact CD2-CG2 4.32Å; Y103-V170 HydrophobicContact CE2-CB 4.05Å; Y103-V170 HydrophobicContact CE2-CG2 3.6Å; Y103-Y173 PolarHBondContact OH-OH 3.25Å; Y103-V186 HydrophobicContact CE2-CG1 4.06Å
104	L	95.5	Very high	94	Very high	32 Å²	32	54.1 Å²	54.1	17%	0.168	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-49	178.8	176.8	59.9	0	0	0	111.1	I36 N37 V40 E100 G101 D102 S106 L107 T108	I36-L104 HydrophobicContact CG2-CD1 4.31Å; N37-L104 VanDerWaalsContact CA-CD1 3.5Å; N37-L104 HydrophobicContact CB-CD1 4Å; V40-L104 HydrophobicContact CG1-CB 4.49Å; E100-L104 WeakPolarHBondContact O-CB 3.42Å; E100-L104 PolarHBondContact O-N 2.81Å; G101-L104 PolarHBondContact O-N 2.69Å; D102-L104 PolarHBondContact O-N 3.37Å; L104-S106 PolarHBondContact O-N 3.07Å; L104-L107 PolarHBondContact O-N 3.2Å; L104-T108 HydrophobicContact CD1-CG2 3.71Å; L104-T108 WeakPolarHBondContact O-CB 3.04Å; L104-T108 WeakPolarHBondContact O-CG2 3.16Å; L104-T108 PolarHBondContact O-N 2.74Å; L104-T108 VanDerWaalsContact O-N 3.09Å; L104-T108 PolarHBondContact O-OG1 2.89Å
105	K	94.7	Very high	93.6	Very high	108 Å²	108	53 Å²	53	47%	0.47	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-46.8	179.2	-178.6	-178.3	174.1	-171.7	0	111.4	G101 D102 L107 T108 K109 Y129	G101-K105 VanDerWaalsContact O-CB 3.28Å; G101-K105 WeakPolarHBondContact O-CB 3.44Å; G101-K105 PolarHBondContact O-N 3.09Å; D102-K105 PolarHBondContact O-N 2.83Å; K105-L107 VanDerWaalsContact C-N 3.28Å; K105-L107 PolarHBondContact O-N 3.16Å; K105-T108 PolarHBondContact O-N 3.1Å; K105-K109 HydrophobicContact CG-CB 4.39Å; K105-K109 HydrophobicContact CG-CD 4.34Å; K105-K109 WeakPolarHBondContact O-CB 3.42Å; K105-K109 PolarHBondContact O-N 2.93Å; K105-Y129 WeakPolarHBondContact O-CE1 3.22Å
106	S	95.1	Very high	92.6	Very high	7 Å²	7	56.5 Å²	56.5	5%	0.049	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-40.8	-179.4	-57.5	0	0	0	0	112	D102 Y103 L104 S128 Y129 D130	D102-S106 VanDerWaalsContact O-CB 3.24Å; D102-S106 WeakPolarHBondContact O-CB 3.5Å; D102-S106 PolarHBondContact O-N 3.49Å; D102-S106 PolarHBondContact O-OG 3.19Å; Y103-S106 PolarHBondContact O-N 3.07Å; L104-S106 PolarHBondContact O-N 3.07Å; S106-S128 WeakPolarHBondContact O-CB 3.47Å; S106-Y129 WeakPolarHBondContact O-CD1 2.86Å; S106-Y129 VanDerWaalsContact O-CE1 3.27Å; S106-Y129 WeakPolarHBondContact O-CE1 3.31Å; S106-D130 WeakPolarHBondContact CA-OD2 3.31Å; S106-D130 VanDerWaalsContact CB-OD2 3.27Å; S106-D130 WeakPolarHBondContact CB-OD2 3.42Å; S106-D130 PolarHBondContact OG-OD2 3.22Å
107	L	96.2	Very high	90.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-93.4	-10.5	-173.2	-67.1	169.1	0	0	0	114.8	F32 I36 Y103 L104 K105 F133 I135 V186	F32-L107 HydrophobicContact CE1-CB 4.5Å; F32-L107 HydrophobicContact CE1-CD2 4.22Å; F32-L107 HydrophobicContact CZ-CD2 4.28Å; I36-L107 HydrophobicContact CD1-CB 4.17Å; I36-L107 HydrophobicContact CD1-CD1 3.78Å; I36-L107 HydrophobicContact CD1-CG 4.48Å; I36-L107 HydrophobicContact CG2-CB 4.42Å; I36-L107 HydrophobicContact CG2-CD1 4.48Å; Y103-L107 HydrophobicContact CD1-CD1 4.3Å; Y103-L107 HydrophobicContact CD2-CD1 3.76Å; Y103-L107 HydrophobicContact CE1-CD1 3.88Å; Y103-L107 HydrophobicContact CE2-CD1 3.24Å; Y103-L107 HydrophobicContact CG-CD1 4.27Å; Y103-L107 PolarHBondContact O-N 2.86Å; L104-L107 PolarHBondContact O-N 3.2Å; K105-L107 VanDerWaalsContact C-N 3.28Å; K105-L107 PolarHBondContact O-N 3.16Å; L107-F133 HydrophobicContact CD2-CB 4.09Å; L107-F133 HydrophobicContact CD2-CD2 4.42Å; L107-F133 HydrophobicContact CG-CD2 4.31Å; L107-I135 HydrophobicContact CD2-CD1 3.9Å; L107-I135 HydrophobicContact CD2-CG1 4.13Å; L107-V186 HydrophobicContact CD1-CG1 3.91Å; L107-V186 HydrophobicContact CD2-CG1 4.23Å
108	T	95.3	Very high	88.7	Confident	18 Å²	18	62.2 Å²	62.2	11%	0.11	33%	0.327	C	S	.	.	H	α-helix	trans	-131.4	-16.4	-170.5	71.3	0	0	0	0	115.4	M33 I36 N37 L104 K105 N110	M33-T108 HydrophobicContact CB-CG2 4.5Å; M33-T108 WeakPolarHBondContact O-CG2 3.37Å; I36-T108 HydrophobicContact CB-CG2 4.37Å; I36-T108 HydrophobicContact CG2-CG2 4.17Å; N37-T108 HydrophobicContact CB-CG2 4.25Å; L104-T108 HydrophobicContact CD1-CG2 3.71Å; L104-T108 WeakPolarHBondContact O-CB 3.04Å; L104-T108 WeakPolarHBondContact O-CG2 3.16Å; L104-T108 PolarHBondContact O-N 2.74Å; L104-T108 VanDerWaalsContact O-N 3.09Å; L104-T108 PolarHBondContact O-OG1 2.89Å; K105-T108 PolarHBondContact O-N 3.1Å; T108-N110 VanDerWaalsContact C-N 3.34Å; T108-N110 PolarHBondContact O-N 3.41Å
109	K	92.7	Very high	86.6	Confident	130 Å²	130	64.3 Å²	64.3	57%	0.565	35%	0.352	S	S	*	.	S	Bend	trans	-63.8	-41.1	179	-176.5	-175.1	-179.8	-172.9	0	111.9	K105 Y129	K105-K109 HydrophobicContact CG-CB 4.39Å; K105-K109 HydrophobicContact CG-CD 4.34Å; K105-K109 WeakPolarHBondContact O-CB 3.42Å; K105-K109 PolarHBondContact O-N 2.93Å; K109-Y129 HydrophobicContact CB-CD1 4.4Å; K109-Y129 HydrophobicContact CB-CE1 3.73Å; K109-Y129 HydrophobicContact CD-CE1 4.27Å; K109-Y129 HydrophobicContact CD-CE2 4.17Å; K109-Y129 WeakPolarHBondContact CD-OH 3.32Å; K109-Y129 HydrophobicContact CG-CE1 4.48Å
110	N	92.8	Very high	84.6	Confident	81 Å²	81	67.8 Å²	67.8	43%	0.433	36%	0.359	S	S	.	.	S	Bend	trans	-135.5	158.6	174.9	-64.9	-55.6	0	0	0	109.2	T108 Y129	T108-N110 VanDerWaalsContact C-N 3.34Å; T108-N110 PolarHBondContact O-N 3.41Å; N110-Y129 HydrophobicContact CB-CD1 3.93Å; N110-Y129 HydrophobicContact CB-CD2 4.33Å; N110-Y129 HydrophobicContact CB-CG 3.67Å; N110-Y129 WeakPolarHBondContact ND2-CD2 2.98Å
111	E	93.7	Very high	82.8	Confident	63 Å²	63	68.8 Å²	68.8	29%	0.294	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-60	134.5	176.2	-175.6	179.8	170.9	0	0	111.6	S24 L29 M33	S24-E111 WeakPolarHBondContact CA-OE2 3.46Å; S24-E111 VanDerWaalsContact CB-OE1 3.3Å; S24-E111 WeakPolarHBondContact CB-OE1 3.5Å; S24-E111 WeakPolarHBondContact CB-OE2 3.24Å; S24-E111 PolarHBondContact OG-OE1 3.24Å; S24-E111 PolarHBondContact OG-OE2 2.72Å; L29-E111 HydrophobicContact CB-CG 4.24Å; L29-E111 HydrophobicContact CD1-CG 3.81Å; L29-E111 WeakPolarHBondContact CD1-OE1 3.05Å; M33-E111 HydrophobicContact CE-CB 4.19Å; M33-E111 HydrophobicContact CE-CG 4.3Å; M33-E111 HydrophobicContact SD-CB 4.44Å
112	P	95.1	Very high	81.5	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.006	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-58.1	137	171.3	-25.5	34.9	0	0	0	112.4	L29 F32 F126 T127 I135	L29-P112 HydrophobicContact CD2-CB 4.28Å; L29-P112 HydrophobicContact CD2-CG 4.28Å; F32-P112 HydrophobicContact CD1-CG 4.16Å; F32-P112 HydrophobicContact CE1-CG 4.06Å; P112-F126 HydrophobicContact CB-CB 3.92Å; P112-T127 CarbonylContact C-O 3.55Å; P112-T127 VanDerWaalsContact CA-O 3.24Å; P112-T127 WeakPolarHBondContact CA-O 3.13Å; P112-T127 WeakPolarHBondContact CB-O 3.43Å; P112-I135 HydrophobicContact CB-CD1 4.01Å; P112-I135 HydrophobicContact CG-CD1 4.31Å
113	L	93.2	Very high	81	Confident	96 Å²	96	72 Å²	72	50%	0.503	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	135.7	-178	-59.9	175.6	0	0	0	110.2	L115 F126 T127	L113-L115 PolarHBondContact O-N 2.8Å; L113-F126 CarbonylContact O-C 3.5Å; L113-F126 WeakPolarHBondContact O-CA 3.14Å; L113-F126 WeakPolarHBondContact O-CB 3.13Å; L113-T127 HydrophobicContact CB-CG2 4.12Å; L113-T127 PolarHBondContact N-O 3.47Å; L113-T127 PolarHBondContact O-N 2.9Å
114	P	91.8	Very high	80.7	Confident	101 Å²	101	77.4 Å²	77.4	66%	0.656	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	133.2	174.4	27.3	-33.4	0	0	0	110	F126	P114-F126 HydrophobicContact CB-CD1 4.34Å
115	L	86.1	Confident	80.7	Confident	83 Å²	83	77.9 Å²	77.9	44%	0.435	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.3	171.6	-173.6	70.7	0	0	0	107.5	L113 A117 L125	L113-L115 PolarHBondContact O-N 2.8Å; L115-A117 WeakPolarHBondContact O-CB 3.29Å; L115-A117 PolarHBondContact O-N 2.96Å; L115-L125 HydrophobicContact CB-CB 3.97Å; L115-L125 HydrophobicContact CD2-CB 4.2Å; L115-L125 HydrophobicContact CD2-CD1 4.18Å; L115-L125 PolarHBondContact N-O 3.41Å
116	D	71.5	Confident	80.7	Confident	135 Å²	135	73 Å²	73	72%	0.722	38%	0.381	S	S	*	.			trans	-64.1	85	178.9	-83.3	-19.1	0	0	0	111.3
117	A	56.9	Low	80.7	Confident	20 Å²	20	73.2 Å²	73.2	17%	0.165	38%	0.383	C	S	.	.			trans	-107	94.1	-175.4	0	0	0	0	0	109.5	L115 L125	L115-A117 WeakPolarHBondContact O-CB 3.29Å; L115-A117 PolarHBondContact O-N 2.96Å; A117-L125 HydrophobicContact CB-CB 3.58Å; A117-L125 HydrophobicContact CB-CD1 3.4Å; A117-L125 VanDerWaalsContact CB-CD1 3.4Å; A117-L125 HydrophobicContact CB-CG 3.37Å
118	H	49.7	Very low	80.6	Confident	133 Å²	133	73.2 Å²	73.2	62%	0.616	38%	0.383	S	S	*	.			trans	-125.8	69.9	168.3	-64	-36.2	0	0	0	109.5
119	G	49.7	Very low	80.5	Confident	57 Å²	57	75.1 Å²	75.1	59%	0.588	39%	0.388	S	S	*	.	S	Bend	trans	-79	-173.6	152.8	0	0	0	0	0	110.5	S121	G119-S121 PolarHBondContact O-N 2.87Å; G119-S121 VanDerWaalsContact O-N 3.1Å
120	R	49.9	Very low	80.5	Confident	203 Å²	203	70 Å²	70	77%	0.766	37%	0.367	S	S	*	.	S	Bend	trans	-63.8	-13.3	-179.5	-73.7	-177	179.5	159.1	-1.2	114.4
121	S	55.8	Low	80.5	Confident	54 Å²	54	70.1 Å²	70.1	38%	0.378	37%	0.366	S	S	.	.	S	Bend	trans	-93.4	139.5	-179.7	50.3	0	0	0	0	111	G119 A123	G119-S121 PolarHBondContact O-N 2.87Å; G119-S121 VanDerWaalsContact O-N 3.1Å; S121-A123 PolarHBondContact O-N 2.56Å
122	N	66.3	Low	80.6	Confident	175 Å²	175	68.9 Å²	68.9	94%	0.936	36%	0.364	S	S	*	.			trans	-70.7	18.5	170.9	-71.1	-26.1	0	0	0	112.7	R124	N122-R124 PolarHBondContact O-N 2.68Å
123	A	82.7	Confident	80.6	Confident	14 Å²	14	69.1 Å²	69.1	12%	0.116	37%	0.365	C	S	.	.			trans	-73.4	126.6	-178.2	0	0	0	0	0	109.7	S121 T137	S121-A123 PolarHBondContact O-N 2.56Å; A123-T137 VanDerWaalsContact CB-O 3.29Å; A123-T137 WeakPolarHBondContact CB-O 3.21Å
124	R	90.9	Very high	80.8	Confident	114 Å²	114	65.2 Å²	65.2	43%	0.43	35%	0.345	S	S	.	.			trans	-77.4	131.3	168.8	-56.9	171.1	66.9	-169.6	2.1	108	D26 N122 F126 T137	D26-R124 IonicContact OD2-CZ 3.21Å; D26-R124 IonicContact OD2-NH1 2.82Å; D26-R124 PolarHBondContact OD2-NH1 3.43Å; D26-R124 VanDerWaalsContact OD2-NH1 3.14Å; D26-R124 IonicContact OD2-NH2 2.69Å; D26-R124 PolarHBondContact OD2-NH2 3.04Å; N122-R124 PolarHBondContact O-N 2.68Å; R124-F126 HydrophobicContact CB-CE2 3.93Å; R124-F126 HydrophobicContact CB-CZ 4.24Å; R124-T137 HydrophobicContact CB-CG2 3.87Å; R124-T137 PolarHBondContact N-OG1 2.97Å; R124-T137 PolarHBondContact O-N 2.9Å; R124-T137 PolarHBondContact O-OG1 3.18Å
125	L	93.5	Very high	81.1	Confident	42 Å²	42	60.7 Å²	60.7	22%	0.22	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.1	168.8	-62	-179.4	0	0	0	109.2	L115 A117 V134 I135 K136	L115-L125 HydrophobicContact CB-CB 3.97Å; L115-L125 HydrophobicContact CD2-CB 4.2Å; L115-L125 HydrophobicContact CD2-CD1 4.18Å; L115-L125 PolarHBondContact N-O 3.41Å; A117-L125 HydrophobicContact CB-CB 3.58Å; A117-L125 HydrophobicContact CB-CD1 3.4Å; A117-L125 VanDerWaalsContact CB-CD1 3.4Å; A117-L125 HydrophobicContact CB-CG 3.37Å; L125-V134 HydrophobicContact CD2-CG1 4.23Å; L125-I135 CarbonylContact C-O 3.57Å; L125-I135 WeakPolarHBondContact CA-O 2.89Å; L125-K136 HydrophobicContact CD2-CB 3.42Å; L125-K136 VanDerWaalsContact CD2-CB 3.42Å; L125-K136 HydrophobicContact CD2-CD 3.96Å; L125-K136 HydrophobicContact CD2-CG 3.46Å; L125-K136 VanDerWaalsContact CD2-CG 3.46Å
126	F	95.2	Very high	81.5	Confident	5 Å²	5	57.4 Å²	57.4	2%	0.022	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	160.4	168.4	-49.1	-97.7	0	0	0	109.1	L29 P112 L113 P114 R124 V134 I135 T137	L29-F126 HydrophobicContact CD1-CD1 4.19Å; L29-F126 HydrophobicContact CD1-CE1 3.85Å; L29-F126 HydrophobicContact CD2-CD1 4.01Å; L29-F126 HydrophobicContact CD2-CE1 3.86Å; L29-F126 HydrophobicContact CD2-CE2 4.4Å; L29-F126 HydrophobicContact CD2-CG 4.33Å; L29-F126 HydrophobicContact CD2-CZ 4.03Å; L29-F126 HydrophobicContact CG-CE1 4.22Å; P112-F126 HydrophobicContact CB-CB 3.92Å; L113-F126 CarbonylContact O-C 3.5Å; L113-F126 WeakPolarHBondContact O-CA 3.14Å; L113-F126 WeakPolarHBondContact O-CB 3.13Å; P114-F126 HydrophobicContact CB-CD1 4.34Å; R124-F126 HydrophobicContact CB-CE2 3.93Å; R124-F126 HydrophobicContact CB-CZ 4.24Å; F126-V134 CarbonylContact O-C 3.49Å; F126-V134 WeakPolarHBondContact O-CA 2.98Å; F126-I135 HydrophobicContact CB-CB 4.19Å; F126-I135 HydrophobicContact CB-CD1 4.15Å; F126-I135 HydrophobicContact CD2-CB 4.42Å; F126-I135 PolarHBondContact N-O 3.45Å; F126-I135 PolarHBondContact O-N 3.17Å; F126-T137 HydrophobicContact CE2-CG2 4.18Å
127	T	95.1	Very high	82.7	Confident	12 Å²	12	51.8 Å²	51.8	7%	0.074	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.2	169.6	-167.7	0	0	0	0	109.9	P112 L113 F133	P112-T127 CarbonylContact C-O 3.55Å; P112-T127 VanDerWaalsContact CA-O 3.24Å; P112-T127 WeakPolarHBondContact CA-O 3.13Å; P112-T127 WeakPolarHBondContact CB-O 3.43Å; L113-T127 HydrophobicContact CB-CG2 4.12Å; L113-T127 PolarHBondContact N-O 3.47Å; L113-T127 PolarHBondContact O-N 2.9Å; T127-F133 CarbonylContact C-O 3.48Å; T127-F133 VanDerWaalsContact CA-O 3.3Å; T127-F133 WeakPolarHBondContact CA-O 3.27Å; T127-F133 PolarHBondContact OG1-O 2.93Å; T127-F133 VanDerWaalsContact OG1-O 3.1Å
128	S	95.8	Very high	84.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.263	C	S	.	.			trans	-59.1	156	168.8	61.1	0	0	0	0	110	S106 D130 M131 C132 F133	S106-S128 WeakPolarHBondContact O-CB 3.47Å; S128-D130 VanDerWaalsContact CB-OD1 3.28Å; S128-D130 WeakPolarHBondContact CB-OD1 3.26Å; S128-D130 PolarHBondContact O-N 2.93Å; S128-D130 VanDerWaalsContact O-N 3.11Å; S128-D130 PolarHBondContact OG-OD1 3.33Å; S128-M131 WeakPolarHBondContact O-CA 3.37Å; S128-M131 PolarHBondContact O-N 2.91Å; S128-M131 PolarHBondContact OG-N 3.15Å; S128-C132 PolarHBondContact OG-N 3.05Å; S128-C132 VanDerWaalsContact OG-N 3.12Å; S128-F133 PolarHBondContact N-O 2.73Å; S128-F133 PolarHBondContact OG-N 2.71Å
129	Y	92.7	Very high	86.5	Confident	59 Å²	59	48.9 Å²	48.9	23%	0.231	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.9	-175.5	77.9	-84.4	0	0	0	113.6	K105 S106 K109 N110	K105-Y129 WeakPolarHBondContact O-CE1 3.22Å; S106-Y129 WeakPolarHBondContact O-CD1 2.86Å; S106-Y129 VanDerWaalsContact O-CE1 3.27Å; S106-Y129 WeakPolarHBondContact O-CE1 3.31Å; K109-Y129 HydrophobicContact CB-CD1 4.4Å; K109-Y129 HydrophobicContact CB-CE1 3.73Å; K109-Y129 HydrophobicContact CD-CE1 4.27Å; K109-Y129 HydrophobicContact CD-CE2 4.17Å; K109-Y129 WeakPolarHBondContact CD-OH 3.32Å; K109-Y129 HydrophobicContact CG-CE1 4.48Å; N110-Y129 HydrophobicContact CB-CD1 3.93Å; N110-Y129 HydrophobicContact CB-CD2 4.33Å; N110-Y129 HydrophobicContact CB-CG 3.67Å; N110-Y129 WeakPolarHBondContact ND2-CD2 2.98Å
130	D	92.8	Very high	88.7	Confident	23 Å²	23	48.8 Å²	48.8	12%	0.123	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	7.8	175.6	54.9	12.4	0	0	0	113	S106 S128 C132 R193	S106-D130 WeakPolarHBondContact CA-OD2 3.31Å; S106-D130 VanDerWaalsContact CB-OD2 3.27Å; S106-D130 WeakPolarHBondContact CB-OD2 3.42Å; S106-D130 PolarHBondContact OG-OD2 3.22Å; S128-D130 VanDerWaalsContact CB-OD1 3.28Å; S128-D130 WeakPolarHBondContact CB-OD1 3.26Å; S128-D130 PolarHBondContact O-N 2.93Å; S128-D130 VanDerWaalsContact O-N 3.11Å; S128-D130 PolarHBondContact OG-OD1 3.33Å; D130-C132 PolarHBondContact O-N 3.36Å; D130-C132 PolarHBondContact OD1-N 3.03Å; D130-R193 WeakPolarHBondContact O-CB 3.3Å; D130-R193 WeakPolarHBondContact O-CD 3.32Å
131	M	92.8	Very high	90.7	Very high	82 Å²	82	45.3 Å²	45.3	40%	0.404	24%	0.24	S	C	.	.	S	Bend	trans	60.2	10.1	178.1	-55.6	176.8	65.1	0	0	115.6	S128 F133 N189 R193	S128-M131 WeakPolarHBondContact O-CA 3.37Å; S128-M131 PolarHBondContact O-N 2.91Å; S128-M131 PolarHBondContact OG-N 3.15Å; M131-F133 VanDerWaalsContact C-N 3.35Å; M131-F133 PolarHBondContact O-N 3.43Å; M131-N189 WeakPolarHBondContact O-CB 3.4Å; M131-N189 PolarHBondContact O-ND2 3Å; M131-R193 HydrophobicContact CB-CB 3.91Å
132	C	94.3	Very high	92.5	Very high	37 Å²	37	44.6 Å²	44.6	25%	0.25	23%	0.231	C	C	.	.	S	Bend	trans	-68.6	-31.8	178.8	-65.4	0	0	0	0	113.1	S128 D130 N189	S128-C132 PolarHBondContact OG-N 3.05Å; S128-C132 VanDerWaalsContact OG-N 3.12Å; D130-C132 PolarHBondContact O-N 3.36Å; D130-C132 PolarHBondContact OD1-N 3.03Å; C132-N189 PolarHBondContact O-N 3Å
133	F	96.9	Very high	93.9	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150	-175.1	-58.6	-74.2	0	0	0	112.3	V98 Y103 L107 T127 S128 M131 V170 V186 M187	V98-F133 HydrophobicContact CG1-CE1 4.23Å; V98-F133 HydrophobicContact CG1-CZ 3.76Å; V98-F133 HydrophobicContact CG2-CE1 4.33Å; V98-F133 HydrophobicContact CG2-CZ 4.42Å; Y103-F133 HydrophobicContact CD2-CE1 4.07Å; Y103-F133 HydrophobicContact CD2-CE2 4.05Å; Y103-F133 AromaticContact CD2-CZ 3.78Å; Y103-F133 HydrophobicContact CD2-CZ 3.78Å; Y103-F133 HydrophobicContact CE2-CE1 4.49Å; L107-F133 HydrophobicContact CD2-CB 4.09Å; L107-F133 HydrophobicContact CD2-CD2 4.42Å; L107-F133 HydrophobicContact CG-CD2 4.31Å; T127-F133 CarbonylContact C-O 3.48Å; T127-F133 VanDerWaalsContact CA-O 3.3Å; T127-F133 WeakPolarHBondContact CA-O 3.27Å; T127-F133 PolarHBondContact OG1-O 2.93Å; T127-F133 VanDerWaalsContact OG1-O 3.1Å; S128-F133 PolarHBondContact N-O 2.73Å; S128-F133 PolarHBondContact OG-N 2.71Å; M131-F133 VanDerWaalsContact C-N 3.35Å; M131-F133 PolarHBondContact O-N 3.43Å; F133-V170 HydrophobicContact CD1-CG2 3.88Å; F133-V170 HydrophobicContact CE1-CG2 3.96Å; F133-V186 HydrophobicContact CB-CG1 4.03Å; F133-V186 HydrophobicContact CD1-CG1 4.37Å; F133-V186 HydrophobicContact CG-CG1 4.35Å; F133-M187 CarbonylContact C-O 3.6Å; F133-M187 VanDerWaalsContact CA-O 3.31Å; F133-M187 WeakPolarHBondContact CA-O 3.35Å
134	V	96.8	Very high	94.5	Very high	14 Å²	14	38.9 Å²	38.9	9%	0.085	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.1	168.5	175.6	0	0	0	0	108.5	L125 F126 V186 M187 N189	L125-V134 HydrophobicContact CD2-CG1 4.23Å; F126-V134 CarbonylContact O-C 3.49Å; F126-V134 WeakPolarHBondContact O-CA 2.98Å; V134-V186 WeakPolarHBondContact O-CA 3.28Å; V134-M187 HydrophobicContact CB-CG 4.17Å; V134-M187 HydrophobicContact CG1-CE 4.07Å; V134-M187 PolarHBondContact N-O 3.26Å; V134-M187 PolarHBondContact O-N 2.87Å; V134-N189 HydrophobicContact CG2-CB 3.96Å
135	I	97.2	Very high	94.7	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113.7	172.6	-50.8	86.5	0	0	0	107.1	F32 L107 P112 L125 F126 A184 V186	F32-I135 HydrophobicContact CE1-CG1 3.95Å; F32-I135 HydrophobicContact CE2-CG1 4.35Å; F32-I135 HydrophobicContact CE2-CG2 3.81Å; F32-I135 HydrophobicContact CZ-CB 4.36Å; F32-I135 HydrophobicContact CZ-CG1 3.53Å; F32-I135 HydrophobicContact CZ-CG2 3.85Å; L107-I135 HydrophobicContact CD2-CD1 3.9Å; L107-I135 HydrophobicContact CD2-CG1 4.13Å; P112-I135 HydrophobicContact CB-CD1 4.01Å; P112-I135 HydrophobicContact CG-CD1 4.31Å; L125-I135 CarbonylContact C-O 3.57Å; L125-I135 WeakPolarHBondContact CA-O 2.89Å; F126-I135 HydrophobicContact CB-CB 4.19Å; F126-I135 HydrophobicContact CB-CD1 4.15Å; F126-I135 HydrophobicContact CD2-CB 4.42Å; F126-I135 PolarHBondContact N-O 3.45Å; F126-I135 PolarHBondContact O-N 3.17Å; I135-A184 HydrophobicContact CG2-CB 4.03Å; I135-V186 HydrophobicContact CG1-CG2 4.34Å; I135-V186 HydrophobicContact CG2-CG2 4.48Å
136	K	95.6	Very high	94.9	Very high	14 Å²	14	33 Å²	33	6%	0.061	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.5	177.6	176.5	174.7	178.4	-168.5	0	109.7	L125 I138 E142 A184 V185 M187 D367	L125-K136 HydrophobicContact CD2-CB 3.42Å; L125-K136 VanDerWaalsContact CD2-CB 3.42Å; L125-K136 HydrophobicContact CD2-CD 3.96Å; L125-K136 HydrophobicContact CD2-CG 3.46Å; L125-K136 VanDerWaalsContact CD2-CG 3.46Å; K136-I138 HydrophobicContact CD-CG2 4.23Å; K136-I138 HydrophobicContact CG-CG2 3.98Å; K136-E142 IonicContact NZ-OE1 3.8Å; K136-A184 VanDerWaalsContact O-CA 3.31Å; K136-A184 WeakPolarHBondContact O-CA 3.44Å; K136-V185 HydrophobicContact CB-CG1 4Å; K136-V185 PolarHBondContact N-O 3.49Å; K136-V185 PolarHBondContact O-N 2.98Å; K136-M187 HydrophobicContact CB-CE 3.56Å; K136-M187 HydrophobicContact CD-CE 4Å; K136-M187 HydrophobicContact CG-CE 4.41Å; K136-D367 IonicContact NZ-OD1 2.99Å; K136-D367 PolarHBondContact NZ-OD1 2.66Å
137	T	95.3	Very high	95	Very high	17 Å²	17	35.5 Å²	35.5	10%	0.104	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.6	166.5	64.9	0	0	0	0	109.3	A123 R124 F126 V182 Y183	A123-T137 VanDerWaalsContact CB-O 3.29Å; A123-T137 WeakPolarHBondContact CB-O 3.21Å; R124-T137 HydrophobicContact CB-CG2 3.87Å; R124-T137 PolarHBondContact N-OG1 2.97Å; R124-T137 PolarHBondContact O-N 2.9Å; R124-T137 PolarHBondContact O-OG1 3.18Å; F126-T137 HydrophobicContact CE2-CG2 4.18Å; T137-V182 HydrophobicContact CG2-CG1 3.87Å; T137-Y183 CarbonylContact C-O 3.58Å; T137-Y183 VanDerWaalsContact CA-O 3.22Å; T137-Y183 WeakPolarHBondContact CA-O 3.43Å
138	I	94.6	Very high	95.1	Very high	11 Å²	11	38.4 Å²	38.4	6%	0.056	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	162.5	-179.8	57.8	173.9	0	0	0	110.1	K136 E142 V143 M172 Y183 V185	K136-I138 HydrophobicContact CD-CG2 4.23Å; K136-I138 HydrophobicContact CG-CG2 3.98Å; I138-E142 WeakPolarHBondContact CA-OE2 3.34Å; I138-E142 HydrophobicContact CB-CB 3.86Å; I138-E142 VanDerWaalsContact CB-OE2 3.26Å; I138-E142 WeakPolarHBondContact CB-OE2 3.23Å; I138-E142 HydrophobicContact CD1-CB 4.48Å; I138-E142 HydrophobicContact CG2-CB 4.4Å; I138-V143 HydrophobicContact CD1-CB 4.49Å; I138-V143 HydrophobicContact CD1-CG2 3.49Å; I138-V143 VanDerWaalsContact CD1-CG2 3.49Å; I138-V143 HydrophobicContact CG1-CG2 3.85Å; I138-M172 HydrophobicContact CD1-SD 4.42Å; I138-Y183 PolarHBondContact N-O 3.46Å; I138-Y183 WeakPolarHBondContact O-CB 3.34Å; I138-V185 HydrophobicContact CD1-CB 4.2Å; I138-V185 HydrophobicContact CD1-CG1 4.49Å; I138-V185 HydrophobicContact CG2-CG1 3.99Å
139	D	93.6	Very high	95.1	Very high	81 Å²	81	38.7 Å²	38.7	43%	0.433	22%	0.218	S	C	.	.			trans	-90.7	175.7	173.7	71.7	35.3	0	0	0	112.8	E141 E142 V143	D139-E141 VanDerWaalsContact C-N 3.31Å; D139-E141 PolarHBondContact O-N 3.19Å; D139-E141 WeakPolarHBondContact OD1-CA 3.4Å; D139-E141 WeakPolarHBondContact OD1-CB 3.47Å; D139-E141 PolarHBondContact OD1-N 2.74Å; D139-E142 PolarHBondContact N-OE2 3.23Å; D139-E142 PolarHBondContact O-N 2.88Å; D139-E142 PolarHBondContact OD1-N 2.86Å; D139-V143 WeakPolarHBondContact O-CG2 3.21Å; D139-V143 PolarHBondContact O-N 2.92Å
140	A	94.1	Very high	95.4	Very high	56 Å²	56	36 Å²	36	46%	0.463	21%	0.207	S	C	.	.	H	α-helix	trans	-69.3	-26.8	-179.5	0	0	0	0	0	113.3	A144 Y183	A140-A144 PolarHBondContact O-N 3.43Å; A140-Y183 HydrophobicContact CB-CE2 4.09Å
141	E	92	Very high	95.6	Very high	129 Å²	129	39.4 Å²	39.4	60%	0.603	22%	0.222	S	C	*	.	H	α-helix	trans	-68.5	-44.9	173.6	-62.4	-171.5	-179.2	0	0	109.2	D139 V143 A144 E145 K375	D139-E141 VanDerWaalsContact C-N 3.31Å; D139-E141 PolarHBondContact O-N 3.19Å; D139-E141 WeakPolarHBondContact OD1-CA 3.4Å; D139-E141 WeakPolarHBondContact OD1-CB 3.47Å; D139-E141 PolarHBondContact OD1-N 2.74Å; E141-V143 PolarHBondContact O-N 2.78Å; E141-A144 WeakPolarHBondContact O-CB 3.5Å; E141-A144 PolarHBondContact O-N 3.3Å; E141-E145 PolarHBondContact O-N 2.84Å; E141-K375 IonicContact OE1-NZ 2.7Å; E141-K375 PolarHBondContact OE1-NZ 2.81Å; E141-K375 IonicContact OE2-NZ 2.66Å; E141-K375 PolarHBondContact OE2-NZ 2.91Å
142	E	94.1	Very high	95.9	Very high	39 Å²	39	41.2 Å²	41.2	18%	0.182	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-39.9	175.7	-74.7	-178.6	119.9	0	0	112.1	K136 I138 D139 A144 E145 V146 L369	K136-E142 IonicContact NZ-OE1 3.8Å; I138-E142 WeakPolarHBondContact CA-OE2 3.34Å; I138-E142 HydrophobicContact CB-CB 3.86Å; I138-E142 VanDerWaalsContact CB-OE2 3.26Å; I138-E142 WeakPolarHBondContact CB-OE2 3.23Å; I138-E142 HydrophobicContact CD1-CB 4.48Å; I138-E142 HydrophobicContact CG2-CB 4.4Å; D139-E142 PolarHBondContact N-OE2 3.23Å; D139-E142 PolarHBondContact O-N 2.88Å; D139-E142 PolarHBondContact OD1-N 2.86Å; E142-A144 VanDerWaalsContact C-N 3.34Å; E142-A144 PolarHBondContact O-N 2.71Å; E142-E145 PolarHBondContact O-N 2.82Å; E142-V146 WeakPolarHBondContact O-CG2 3.29Å; E142-V146 PolarHBondContact O-N 2.8Å; E142-L369 HydrophobicContact CB-CD1 4.27Å
143	V	96.6	Very high	96.1	Very high	10 Å²	10	39.5 Å²	39.5	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-42	174.1	171.4	0	0	0	0	111.6	Y84 I138 D139 E141 E145 V146 H147 M172 Y183	Y84-V143 HydrophobicContact CE1-CG1 4.49Å; I138-V143 HydrophobicContact CD1-CB 4.49Å; I138-V143 HydrophobicContact CD1-CG2 3.49Å; I138-V143 VanDerWaalsContact CD1-CG2 3.49Å; I138-V143 HydrophobicContact CG1-CG2 3.85Å; D139-V143 WeakPolarHBondContact O-CG2 3.21Å; D139-V143 PolarHBondContact O-N 2.92Å; E141-V143 PolarHBondContact O-N 2.78Å; V143-E145 VanDerWaalsContact C-N 3.29Å; V143-E145 PolarHBondContact O-N 3.49Å; V143-V146 PolarHBondContact O-N 2.77Å; V143-H147 PolarHBondContact O-CD2 2.84Å; V143-H147 PolarHBondContact O-N 3.46Å; V143-M172 HydrophobicContact CG1-CE 4.21Å; V143-M172 HydrophobicContact CG1-SD 4.25Å; V143-Y183 HydrophobicContact CG2-CD1 3.61Å; V143-Y183 HydrophobicContact CG2-CE1 4.39Å; V143-Y183 HydrophobicContact CG2-CG 3.7Å
144	A	95.8	Very high	96.1	Very high	59 Å²	59	40.1 Å²	40.1	49%	0.488	22%	0.219	S	C	.	.	H	α-helix	trans	-63.9	-38.2	176.5	0	0	0	0	0	111.2	A140 E141 E142 H147 S148	A140-A144 PolarHBondContact O-N 3.43Å; E141-A144 WeakPolarHBondContact O-CB 3.5Å; E141-A144 PolarHBondContact O-N 3.3Å; E142-A144 VanDerWaalsContact C-N 3.34Å; E142-A144 PolarHBondContact O-N 2.71Å; A144-H147 PolarHBondContact O-N 2.81Å; A144-S148 PolarHBondContact O-N 2.95Å
145	E	95	Very high	96.2	Very high	31 Å²	31	43 Å²	43	15%	0.145	23%	0.234	C	C	.	.	H	α-helix	trans	-67	-43.5	175.5	-165	60	-149.9	0	0	112.1	E141 E142 V143 H147 S148 I149 L262	E141-E145 PolarHBondContact O-N 2.84Å; E142-E145 PolarHBondContact O-N 2.82Å; V143-E145 VanDerWaalsContact C-N 3.29Å; V143-E145 PolarHBondContact O-N 3.49Å; E145-H147 VanDerWaalsContact C-N 3.29Å; E145-H147 PolarHBondContact O-N 2.93Å; E145-S148 PolarHBondContact O-N 3.03Å; E145-S148 PolarHBondContact O-OG 3.05Å; E145-S148 PolarHBondContact OE1-OG 3.01Å; E145-I149 WeakPolarHBondContact O-CG1 3.31Å; E145-I149 PolarHBondContact O-N 3.17Å; E145-I149 VanDerWaalsContact O-N 3.13Å; E145-L262 HydrophobicContact CG-CD2 4.18Å; E145-L262 WeakPolarHBondContact OE1-CD2 3.34Å
146	V	96.8	Very high	96.2	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-55.8	-47.2	173.5	174.8	0	0	0	0	110.2	E142 V143 S148 I149 L150 M172 L369	E142-V146 WeakPolarHBondContact O-CG2 3.29Å; E142-V146 PolarHBondContact O-N 2.8Å; V143-V146 PolarHBondContact O-N 2.77Å; V146-S148 VanDerWaalsContact C-N 3.33Å; V146-S148 PolarHBondContact O-N 3.08Å; V146-I149 WeakPolarHBondContact O-CG1 3.45Å; V146-I149 PolarHBondContact O-N 2.73Å; V146-L150 WeakPolarHBondContact O-CA 3.32Å; V146-L150 VanDerWaalsContact O-CB 3.28Å; V146-L150 WeakPolarHBondContact O-CB 3.47Å; V146-L150 PolarHBondContact O-N 2.88Å; V146-M172 HydrophobicContact CB-SD 3.88Å; V146-M172 HydrophobicContact CG1-CE 4.14Å; V146-M172 HydrophobicContact CG1-SD 3.64Å; V146-M172 HydrophobicContact CG2-SD 4.32Å; V146-L369 HydrophobicContact CG2-CD1 3.51Å; V146-L369 HydrophobicContact CG2-CD2 3.63Å; V146-L369 HydrophobicContact CG2-CG 4.23Å
147	H	97.4	Very high	96.3	Very high	57 Å²	57	42.7 Å²	42.7	26%	0.264	23%	0.232	S	C	.	.	H	α-helix	trans	-61.4	-38.3	175.9	-87.5	-67.4	0	0	0	113.3	Y84 C85 V143 A144 E145 I149 M172	Y84-H147 AromaticContact CD1-CE1 3.84Å; Y84-H147 AromaticContact CD1-NE2 3.17Å; Y84-H147 WeakPolarHBondContact CD1-NE2 3.35Å; Y84-H147 AromaticContact CE1-NE2 3.76Å; Y84-H147 AromaticContact CG-NE2 3.84Å; C85-H147 VanDerWaalsContact SG-CE1 3.52Å; V143-H147 PolarHBondContact O-CD2 2.84Å; V143-H147 PolarHBondContact O-N 3.46Å; A144-H147 PolarHBondContact O-N 2.81Å; E145-H147 VanDerWaalsContact C-N 3.29Å; E145-H147 PolarHBondContact O-N 2.93Å; H147-I149 VanDerWaalsContact C-N 3.28Å; H147-I149 PolarHBondContact O-N 3.06Å; H147-M172 WeakPolarHBondContact NE2-CE 3.26Å
148	S	96.3	Very high	96.3	Very high	73 Å²	73	45.1 Å²	45.1	51%	0.51	25%	0.247	S	C	.	.	H	α-helix	trans	-64.5	-34.4	-178.5	91.7	0	0	0	0	111.9	A144 E145 V146	A144-S148 PolarHBondContact O-N 2.95Å; E145-S148 PolarHBondContact O-N 3.03Å; E145-S148 PolarHBondContact O-OG 3.05Å; E145-S148 PolarHBondContact OE1-OG 3.01Å; V146-S148 VanDerWaalsContact C-N 3.33Å; V146-S148 PolarHBondContact O-N 3.08Å
149	I	96.8	Very high	96.3	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-97.4	-18	-177	72.5	175.4	0	0	0	113.7	E145 V146 H147 Q151 K152 Y153 L260 L262 L369	E145-I149 WeakPolarHBondContact O-CG1 3.31Å; E145-I149 PolarHBondContact O-N 3.17Å; E145-I149 VanDerWaalsContact O-N 3.13Å; V146-I149 WeakPolarHBondContact O-CG1 3.45Å; V146-I149 PolarHBondContact O-N 2.73Å; H147-I149 VanDerWaalsContact C-N 3.28Å; H147-I149 PolarHBondContact O-N 3.06Å; I149-Q151 VanDerWaalsContact C-N 3.31Å; I149-Q151 PolarHBondContact O-N 3.43Å; I149-Q151 VanDerWaalsContact O-N 3.13Å; I149-K152 PolarHBondContact O-N 2.85Å; I149-Y153 WeakPolarHBondContact O-CB 3.45Å; I149-Y153 PolarHBondContact O-N 3.28Å; I149-L260 HydrophobicContact CB-CD1 3.97Å; I149-L260 HydrophobicContact CG2-CD1 3.88Å; I149-L262 HydrophobicContact CD1-CD1 4.22Å; I149-L262 HydrophobicContact CG2-CD1 4.26Å; I149-L369 HydrophobicContact CD1-CD2 3.93Å
150	L	98.2	Very high	96.3	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-53	-42.8	-165.5	-173.7	60.8	0	0	0	113.9	F57 C85 V88 F89 L92 V146 Y153 H154	F57-L150 HydrophobicContact CD1-CB 4.33Å; F57-L150 HydrophobicContact CD1-CD2 4.1Å; F57-L150 HydrophobicContact CD1-CG 3.92Å; F57-L150 HydrophobicContact CE1-CG 4.29Å; C85-L150 HydrophobicContact CB-CD2 3.74Å; C85-L150 VanDerWaalsContact SG-CD2 3.6Å; V88-L150 HydrophobicContact CB-CD2 4.37Å; V88-L150 HydrophobicContact CG1-CD1 4.1Å; V88-L150 HydrophobicContact CG1-CD2 4Å; V88-L150 HydrophobicContact CG1-CG 3.94Å; F89-L150 HydrophobicContact CE1-CD1 4.38Å; F89-L150 HydrophobicContact CZ-CD1 4.15Å; L92-L150 HydrophobicContact CD1-CD1 4.31Å; V146-L150 WeakPolarHBondContact O-CA 3.32Å; V146-L150 VanDerWaalsContact O-CB 3.28Å; V146-L150 WeakPolarHBondContact O-CB 3.47Å; V146-L150 PolarHBondContact O-N 2.88Å; L150-Y153 PolarHBondContact O-N 3.45Å; L150-H154 WeakPolarHBondContact O-CB 3.38Å; L150-H154 PolarHBondContact O-N 3.28Å
151	Q	98.1	Very high	96.2	Very high	95 Å²	95	56.3 Å²	56.3	44%	0.444	28%	0.279	S	S	.	.	H	α-helix	trans	-66.7	-44.1	179.1	-171.1	175.5	20.8	0	0	112.3	F57 I149 Y153 H154 N155	F57-Q151 HydrophobicContact CD1-CB 3.8Å; F57-Q151 HydrophobicContact CD1-CG 4.31Å; F57-Q151 HydrophobicContact CD2-CG 4.31Å; F57-Q151 VanDerWaalsContact CE1-CA 3.41Å; F57-Q151 HydrophobicContact CE1-CB 3.9Å; F57-Q151 HydrophobicContact CE1-CG 4.12Å; F57-Q151 HydrophobicContact CE2-CG 4.11Å; F57-Q151 HydrophobicContact CG-CB 4.16Å; F57-Q151 HydrophobicContact CG-CG 4.41Å; F57-Q151 HydrophobicContact CZ-CB 4.31Å; F57-Q151 HydrophobicContact CZ-CG 4Å; I149-Q151 VanDerWaalsContact C-N 3.31Å; I149-Q151 PolarHBondContact O-N 3.43Å; I149-Q151 VanDerWaalsContact O-N 3.13Å; Q151-Y153 VanDerWaalsContact C-N 3.35Å; Q151-H154 PolarHBondContact O-N 2.93Å; Q151-N155 VanDerWaalsContact O-CG 3.26Å; Q151-N155 PolarHBondContact O-N 3.08Å; Q151-N155 VanDerWaalsContact O-N 3.09Å; Q151-N155 PolarHBondContact O-OD1 2.91Å
152	K	98.2	Very high	96.2	Very high	120 Å²	120	50.5 Å²	50.5	52%	0.522	25%	0.252	S	S	.	.	H	α-helix	trans	-68.4	-37.8	177.6	-63.3	178.9	-178.6	177.8	0	111.2	I149 N155 Y156 F256 L260	I149-K152 PolarHBondContact O-N 2.85Å; K152-N155 PolarHBondContact O-N 3.41Å; K152-Y156 VanDerWaalsContact O-CB 3.28Å; K152-Y156 WeakPolarHBondContact O-CB 3.29Å; K152-Y156 PolarHBondContact O-N 3.34Å; K152-F256 HydrophobicContact CB-CE2 4.18Å; K152-F256 HydrophobicContact CB-CZ 4.4Å; K152-L260 HydrophobicContact CB-CD2 4.24Å; K152-L260 HydrophobicContact CD-CD2 3.3Å; K152-L260 HydrophobicContact CG-CD2 4.42Å
153	Y	98.4	Very high	96.1	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-46.8	174.7	172.4	-95.2	0	0	0	111.9	L92 F96 I149 L150 Q151 Y156 V157 L166 P167 Y169 F256	L92-Y153 HydrophobicContact CD1-CD1 4.28Å; L92-Y153 HydrophobicContact CD1-CE1 3.89Å; L92-Y153 HydrophobicContact CD2-CD1 4.25Å; L92-Y153 HydrophobicContact CD2-CE1 3.78Å; F96-Y153 WeakPolarHBondContact CZ-OH 3.42Å; I149-Y153 WeakPolarHBondContact O-CB 3.45Å; I149-Y153 PolarHBondContact O-N 3.28Å; L150-Y153 PolarHBondContact O-N 3.45Å; Q151-Y153 VanDerWaalsContact C-N 3.35Å; Y153-Y156 PolarHBondContact O-N 3.03Å; Y153-V157 HydrophobicContact CD1-CG2 4.4Å; Y153-V157 HydrophobicContact CD2-CG2 4.49Å; Y153-V157 HydrophobicContact CE1-CG2 3.98Å; Y153-V157 HydrophobicContact CE2-CG2 4.1Å; Y153-V157 WeakPolarHBondContact O-CG2 3.38Å; Y153-V157 PolarHBondContact O-N 2.95Å; Y153-L166 HydrophobicContact CD2-CD1 4.46Å; Y153-L166 HydrophobicContact CE2-CB 4.39Å; Y153-L166 HydrophobicContact CE2-CD1 4.38Å; Y153-P167 PolarHBondContact OH-O 3.29Å; Y153-Y169 HydrophobicContact CE1-CD2 4.07Å; Y153-Y169 HydrophobicContact CE2-CD2 4.18Å; Y153-Y169 AromaticContact CZ-CD2 3.83Å; Y153-Y169 PolarHBondContact OH-N 3.12Å; Y153-Y169 VanDerWaalsContact OH-N 3.17Å; Y153-F256 HydrophobicContact CD2-CE1 4.5Å
154	H	98	Very high	96.1	Very high	18 Å²	18	53.1 Å²	53.1	8%	0.083	26%	0.26	C	S	.	.	H	α-helix	trans	-58.7	-49.4	175.5	176.9	-84.5	0	0	0	111.5	L52 F57 S91 L150 Q151 Y156 V157 V158	L52-H154 VanDerWaalsContact CD1-NE2 3.33Å; L52-H154 WeakPolarHBondContact CD1-NE2 3.41Å; F57-H154 HydrophobicContact CE1-CB 4.02Å; F57-H154 HydrophobicContact CZ-CB 4.27Å; S91-H154 PolarHBondContact OG-NE2 3.03Å; S91-H154 VanDerWaalsContact OG-NE2 3.1Å; L150-H154 WeakPolarHBondContact O-CB 3.38Å; L150-H154 PolarHBondContact O-N 3.28Å; Q151-H154 PolarHBondContact O-N 2.93Å; H154-Y156 VanDerWaalsContact C-N 3.32Å; H154-Y156 PolarHBondContact O-N 3.32Å; H154-V157 PolarHBondContact O-N 2.68Å; H154-V158 WeakPolarHBondContact O-CG2 3.35Å; H154-V158 PolarHBondContact O-N 3.06Å
155	N	97.4	Very high	96.2	Very high	74 Å²	74	50.3 Å²	50.3	40%	0.396	24%	0.236	S	C	.	.	H	α-helix	trans	-58.3	-45	177.2	-68.4	-6.6	0	0	0	111.7	Q151 K152 V157 V158 E159	Q151-N155 VanDerWaalsContact O-CG 3.26Å; Q151-N155 PolarHBondContact O-N 3.08Å; Q151-N155 VanDerWaalsContact O-N 3.09Å; Q151-N155 PolarHBondContact O-OD1 2.91Å; K152-N155 PolarHBondContact O-N 3.41Å; N155-V157 PolarHBondContact O-N 2.77Å; N155-V158 PolarHBondContact O-N 3.24Å; N155-E159 WeakPolarHBondContact O-CG 3.35Å; N155-E159 PolarHBondContact O-N 3.4Å
156	Y	98.1	Very high	96.3	Very high	14 Å²	14	48.9 Å²	48.9	6%	0.055	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-44.9	177.8	-177.8	-99.4	0	0	0	112.2	K152 Y153 H154 V158 E159 Q160 L166 S252 D253 F256	K152-Y156 VanDerWaalsContact O-CB 3.28Å; K152-Y156 WeakPolarHBondContact O-CB 3.29Å; K152-Y156 PolarHBondContact O-N 3.34Å; Y153-Y156 PolarHBondContact O-N 3.03Å; H154-Y156 VanDerWaalsContact C-N 3.32Å; H154-Y156 PolarHBondContact O-N 3.32Å; Y156-V158 VanDerWaalsContact C-N 3.3Å; Y156-V158 PolarHBondContact O-N 3.39Å; Y156-E159 PolarHBondContact O-N 3.41Å; Y156-Q160 HydrophobicContact CD1-CG 4.11Å; Y156-Q160 HydrophobicContact CD2-CG 4.15Å; Y156-Q160 HydrophobicContact CE1-CG 3.65Å; Y156-Q160 HydrophobicContact CE2-CG 3.7Å; Y156-Q160 HydrophobicContact CG-CG 4.33Å; Y156-Q160 VanDerWaalsContact CZ-CG 3.42Å; Y156-Q160 WeakPolarHBondContact O-CB 3.44Å; Y156-Q160 WeakPolarHBondContact O-CG 3.2Å; Y156-Q160 PolarHBondContact O-N 2.96Å; Y156-L166 HydrophobicContact CD1-CD1 3.82Å; Y156-L166 HydrophobicContact CE1-CD1 3.63Å; Y156-S252 WeakPolarHBondContact OH-CB 3.33Å; Y156-S252 PolarHBondContact OH-O 2.88Å; Y156-S252 PolarHBondContact OH-OG 2.73Å; Y156-D253 WeakPolarHBondContact CE1-OD1 3.28Å; Y156-D253 WeakPolarHBondContact OH-CA 3.27Å; Y156-D253 PolarHBondContact OH-N 3.13Å; Y156-D253 VanDerWaalsContact OH-N 3.12Å; Y156-D253 PolarHBondContact OH-OD1 3.07Å; Y156-F256 HydrophobicContact CD1-CD1 4.07Å; Y156-F256 HydrophobicContact CD1-CD2 4.48Å; Y156-F256 HydrophobicContact CD1-CE1 4.3Å; Y156-F256 HydrophobicContact CD1-CG 4.16Å; Y156-F256 HydrophobicContact CD2-CB 3.87Å; Y156-F256 HydrophobicContact CD2-CD1 4.39Å; Y156-F256 AromaticContact CD2-CD2 3.52Å; Y156-F256 HydrophobicContact CD2-CD2 3.52Å; Y156-F256 HydrophobicContact CD2-CE2 4.15Å; Y156-F256 AromaticContact CD2-CG 3.66Å; Y156-F256 HydrophobicContact CD2-CG 3.66Å; Y156-F256 HydrophobicContact CE1-CB 4.45Å; Y156-F256 HydrophobicContact CE1-CD1 4.32Å; Y156-F256 HydrophobicContact CE1-CG 4.35Å; Y156-F256 HydrophobicContact CE2-CB 3.58Å; Y156-F256 HydrophobicContact CE2-CD2 4.16Å; Y156-F256 AromaticContact CE2-CG 3.88Å; Y156-F256 HydrophobicContact CE2-CG 3.88Å; Y156-F256 HydrophobicContact CG-CB 4.42Å; Y156-F256 HydrophobicContact CG-CD1 4.11Å; Y156-F256 AromaticContact CG-CD2 3.71Å; Y156-F256 HydrophobicContact CG-CD2 3.71Å; Y156-F256 HydrophobicContact CG-CE1 4.3Å; Y156-F256 AromaticContact CG-CE2 3.92Å; Y156-F256 HydrophobicContact CG-CE2 3.92Å; Y156-F256 AromaticContact CG-CG 3.81Å; Y156-F256 HydrophobicContact CG-CG 3.81Å; Y156-F256 HydrophobicContact CG-CZ 4.21Å
157	V	96.8	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-42.4	175.9	167.7	0	0	0	0	111.2	L92 K95 F96 Y153 H154 N155 R161 S162	L92-V157 HydrophobicContact CD2-CB 4.35Å; L92-V157 HydrophobicContact CD2-CG1 4.25Å; L92-V157 HydrophobicContact CD2-CG2 4.31Å; K95-V157 HydrophobicContact CB-CG1 4.27Å; F96-V157 HydrophobicContact CD1-CG1 4.33Å; F96-V157 HydrophobicContact CE1-CB 4.46Å; F96-V157 HydrophobicContact CE1-CG1 3.49Å; F96-V157 VanDerWaalsContact CE1-CG1 3.49Å; F96-V157 HydrophobicContact CE1-CG2 4.05Å; F96-V157 HydrophobicContact CZ-CB 4.46Å; F96-V157 HydrophobicContact CZ-CG1 3.79Å; F96-V157 HydrophobicContact CZ-CG2 3.79Å; Y153-V157 HydrophobicContact CD1-CG2 4.4Å; Y153-V157 HydrophobicContact CD2-CG2 4.49Å; Y153-V157 HydrophobicContact CE1-CG2 3.98Å; Y153-V157 HydrophobicContact CE2-CG2 4.1Å; Y153-V157 WeakPolarHBondContact O-CG2 3.38Å; Y153-V157 PolarHBondContact O-N 2.95Å; H154-V157 PolarHBondContact O-N 2.68Å; N155-V157 PolarHBondContact O-N 2.77Å; V157-R161 PolarHBondContact O-N 2.86Å; V157-S162 PolarHBondContact O-N 3.47Å
158	V	94.9	Very high	96.4	Very high	69 Å²	69	46.2 Å²	46.2	42%	0.418	22%	0.218	S	C	.	.	H	α-helix	trans	-64.2	-47.6	177	173.4	0	0	0	0	111.1	H154 N155 Y156 R161	H154-V158 WeakPolarHBondContact O-CG2 3.35Å; H154-V158 PolarHBondContact O-N 3.06Å; N155-V158 PolarHBondContact O-N 3.24Å; Y156-V158 VanDerWaalsContact C-N 3.3Å; Y156-V158 PolarHBondContact O-N 3.39Å; V158-R161 PolarHBondContact O-N 3.38Å; V158-R161 VanDerWaalsContact O-N 3.11Å
159	E	95.8	Very high	96.5	Very high	141 Å²	141	43.2 Å²	43.2	66%	0.659	20%	0.195	S	C	*	.	H	α-helix	trans	-62.8	-42.5	180	-73.2	171.1	-170.5	0	0	112.3	N155 Y156 R161	N155-E159 WeakPolarHBondContact O-CG 3.35Å; N155-E159 PolarHBondContact O-N 3.4Å; Y156-E159 PolarHBondContact O-N 3.41Å; E159-R161 PolarHBondContact O-N 3.31Å
160	Q	93.7	Very high	96.5	Very high	58 Å²	58	42.9 Å²	42.9	27%	0.271	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	1.7	176.6	-61.5	-53.3	-36.9	0	0	113.4	Y156 S162 R163 S252	Y156-Q160 HydrophobicContact CD1-CG 4.11Å; Y156-Q160 HydrophobicContact CD2-CG 4.15Å; Y156-Q160 HydrophobicContact CE1-CG 3.65Å; Y156-Q160 HydrophobicContact CE2-CG 3.7Å; Y156-Q160 HydrophobicContact CG-CG 4.33Å; Y156-Q160 VanDerWaalsContact CZ-CG 3.42Å; Y156-Q160 WeakPolarHBondContact O-CB 3.44Å; Y156-Q160 WeakPolarHBondContact O-CG 3.2Å; Y156-Q160 PolarHBondContact O-N 2.96Å; Q160-S162 PolarHBondContact O-N 3.33Å; Q160-R163 WeakPolarHBondContact O-CB 3.49Å; Q160-R163 PolarHBondContact O-N 3.23Å; Q160-S252 PolarHBondContact NE2-OG 3.37Å; Q160-S252 VanDerWaalsContact NE2-OG 3.14Å
161	R	92.4	Very high	96.5	Very high	184 Å²	184	42.8 Å²	42.8	69%	0.694	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	41.9	-175.3	-54.6	-178.3	-179.2	178.7	-0.4	112.1	V157 V158 E159 R163 C327	V157-R161 PolarHBondContact O-N 2.86Å; V158-R161 PolarHBondContact O-N 3.38Å; V158-R161 VanDerWaalsContact O-N 3.11Å; E159-R161 PolarHBondContact O-N 3.31Å; R161-R163 PolarHBondContact O-N 3.04Å; R161-R163 VanDerWaalsContact O-N 3.1Å; R161-C327 WeakPolarHBondContact O-CB 3.29Å
162	S	91.3	Very high	96.5	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.042	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	11.6	-176.4	-48.4	0	0	0	0	115.2	K95 V157 Q160 T164 F346	K95-S162 WeakPolarHBondContact O-CB 3.34Å; K95-S162 PolarHBondContact O-OG 2.9Å; V157-S162 PolarHBondContact O-N 3.47Å; Q160-S162 PolarHBondContact O-N 3.33Å; S162-T164 PolarHBondContact O-N 2.8Å; S162-F346 WeakPolarHBondContact O-CE2 3.34Å; S162-F346 WeakPolarHBondContact O-CZ 3.42Å
163	R	92	Very high	96.5	Very high	105 Å²	105	32.6 Å²	32.6	40%	0.396	15%	0.147	S	C	.	.			trans	-90.8	77.8	176.3	-65.2	176.1	175.6	-171.9	-1.6	110.5	Q160 R161 M249 C327	Q160-R163 WeakPolarHBondContact O-CB 3.49Å; Q160-R163 PolarHBondContact O-N 3.23Å; R161-R163 PolarHBondContact O-N 3.04Å; R161-R163 VanDerWaalsContact O-N 3.1Å; R163-M249 HydrophobicContact CB-SD 4.41Å; R163-C327 HydrophobicContact CG-CB 4.05Å; R163-C327 VanDerWaalsContact CG-SG 3.55Å; R163-C327 PolarHBondContact NE-SG 3.45Å
164	T	96.1	Very high	96.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.153	C	C	.	.			trans	-138.5	146.6	-177	173	0	0	0	0	110.1	S162 L166 D253 F346	S162-T164 PolarHBondContact O-N 2.8Å; T164-L166 VanDerWaalsContact C-N 3.29Å; T164-L166 HydrophobicContact CG2-CB 4.44Å; T164-L166 VanDerWaalsContact OG1-CB 3.3Å; T164-L166 WeakPolarHBondContact OG1-CB 3.32Å; T164-L166 WeakPolarHBondContact OG1-CG 3.28Å; T164-L166 PolarHBondContact OG1-N 3.02Å; T164-D253 WeakPolarHBondContact CB-OD1 3.27Å; T164-D253 VanDerWaalsContact OG1-CG 3.31Å; T164-D253 PolarHBondContact OG1-OD1 2.93Å; T164-D253 PolarHBondContact OG1-OD2 2.95Å; T164-F346 VanDerWaalsContact O-CE1 3.31Å; T164-F346 WeakPolarHBondContact O-CE1 3.41Å
165	L	97.8	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-82.2	-9	171.2	-57.2	171.9	0	0	0	111.9	L246 M249 L250 D253 L267 F331 I363 L365	L165-L246 HydrophobicContact CD1-CD1 3.82Å; L165-L246 HydrophobicContact CD2-CD1 4.39Å; L165-M249 HydrophobicContact CD1-CB 4.28Å; L165-M249 HydrophobicContact CD2-CE 3.97Å; L165-M249 HydrophobicContact CG-CB 4.11Å; L165-M249 HydrophobicContact CG-CE 4.38Å; L165-L250 HydrophobicContact CD1-CB 3.94Å; L165-L250 HydrophobicContact CD1-CD1 4.19Å; L165-D253 WeakPolarHBondContact CA-OD2 3.45Å; L165-D253 WeakPolarHBondContact CB-OD2 3.21Å; L165-D253 PolarHBondContact N-OD2 3.38Å; L165-L267 HydrophobicContact CD1-CD1 4.36Å; L165-F331 HydrophobicContact CD2-CE2 4.39Å; L165-F331 HydrophobicContact CD2-CZ 4.07Å; L165-I363 WeakPolarHBondContact CD2-O 3.37Å; L165-L365 HydrophobicContact CB-CD1 4.19Å; L165-L365 HydrophobicContact CB-CG 4.15Å; L165-L365 PolarHBondContact O-N 3.11Å
166	L	98	Very high	96.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-58.1	155	178.5	-63.4	175.2	0	0	0	111.5	Y153 Y156 T164 Q168 D253 F256 L257 Y347 L365 I368	Y153-L166 HydrophobicContact CD2-CD1 4.46Å; Y153-L166 HydrophobicContact CE2-CB 4.39Å; Y153-L166 HydrophobicContact CE2-CD1 4.38Å; Y156-L166 HydrophobicContact CD1-CD1 3.82Å; Y156-L166 HydrophobicContact CE1-CD1 3.63Å; T164-L166 VanDerWaalsContact C-N 3.29Å; T164-L166 HydrophobicContact CG2-CB 4.44Å; T164-L166 VanDerWaalsContact OG1-CB 3.3Å; T164-L166 WeakPolarHBondContact OG1-CB 3.32Å; T164-L166 WeakPolarHBondContact OG1-CG 3.28Å; T164-L166 PolarHBondContact OG1-N 3.02Å; L166-Q168 PolarHBondContact O-N 3.28Å; L166-D253 HydrophobicContact CD2-CB 4.12Å; L166-D253 HydrophobicContact CG-CB 4.11Å; L166-F256 HydrophobicContact CD1-CD1 3.72Å; L166-F256 HydrophobicContact CD1-CE1 3.94Å; L166-L257 HydrophobicContact CD2-CD1 3.69Å; L166-L257 HydrophobicContact CD2-CD2 3.94Å; L166-L257 HydrophobicContact CD2-CG 3.85Å; L166-Y347 PolarHBondContact O-OH 3.35Å; L166-L365 HydrophobicContact CD2-CD1 3.8Å; L166-I368 HydrophobicContact CD2-CD1 4.38Å; L166-I368 HydrophobicContact CD2-CG2 4.35Å
167	P	97.6	Very high	96.4	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.032	14%	0.136	C	C	.	.			trans	-54.2	127.9	170	-23.6	33	0	0	0	110.1	Y153 Y169 M187 L365 I368	Y153-P167 PolarHBondContact OH-O 3.29Å; P167-Y169 HydrophobicContact CB-CD1 4.33Å; P167-Y169 HydrophobicContact CB-CE1 3.85Å; P167-Y169 HydrophobicContact CB-CE2 4.43Å; P167-Y169 PolarHBondContact O-N 3.4Å; P167-M187 HydrophobicContact CB-SD 4.02Å; P167-L365 VanDerWaalsContact CD-O 3.3Å; P167-L365 WeakPolarHBondContact CD-O 3.48Å; P167-L365 VanDerWaalsContact CG-O 3.32Å; P167-L365 WeakPolarHBondContact CG-O 3.27Å; P167-I368 HydrophobicContact CG-CD1 4.24Å; P167-I368 HydrophobicContact CG-CG1 4.14Å; P167-I368 HydrophobicContact CG-CG2 4.24Å
168	Q	97.5	Very high	96	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.172	C	C	.	.			trans	-83.1	91.6	173.4	-69.6	-173.7	-2.4	0	0	109.4	F96 L166 V170 M187 R188 F346 Y347	F96-Q168 HydrophobicContact CD1-CB 4.23Å; F96-Q168 VanDerWaalsContact CD1-CD 3.44Å; F96-Q168 HydrophobicContact CD1-CG 3.69Å; F96-Q168 HydrophobicContact CD2-CB 3.8Å; F96-Q168 HydrophobicContact CD2-CG 4.19Å; F96-Q168 HydrophobicContact CE1-CB 4.17Å; F96-Q168 HydrophobicContact CE1-CG 3.6Å; F96-Q168 HydrophobicContact CE2-CB 3.71Å; F96-Q168 HydrophobicContact CE2-CG 4.1Å; F96-Q168 HydrophobicContact CG-CB 4.07Å; F96-Q168 HydrophobicContact CG-CG 4.01Å; F96-Q168 HydrophobicContact CZ-CB 3.91Å; F96-Q168 HydrophobicContact CZ-CG 3.82Å; L166-Q168 PolarHBondContact O-N 3.28Å; Q168-V170 PolarHBondContact O-N 3.42Å; Q168-M187 CarbonylContact O-C 3.58Å; Q168-M187 WeakPolarHBondContact O-CA 3.22Å; Q168-M187 WeakPolarHBondContact O-CB 3.31Å; Q168-R188 HydrophobicContact CB-CB 3.94Å; Q168-R188 PolarHBondContact O-N 3.47Å; Q168-R188 VanDerWaalsContact OE1-CD 3.31Å; Q168-F346 VanDerWaalsContact NE2-CD1 3.27Å; Q168-F346 VanDerWaalsContact NE2-CE2 3.34Å; Q168-Y347 PolarHBondContact N-OH 3.47Å
169	Y	98.1	Very high	95.7	Very high	9 Å²	9	38.2 Å²	38.2	4%	0.035	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125	178.3	-60.2	-56.9	0	0	0	110.7	Y153 P167 V185 M187 I368	Y153-Y169 HydrophobicContact CE1-CD2 4.07Å; Y153-Y169 HydrophobicContact CE2-CD2 4.18Å; Y153-Y169 AromaticContact CZ-CD2 3.83Å; Y153-Y169 PolarHBondContact OH-N 3.12Å; Y153-Y169 VanDerWaalsContact OH-N 3.17Å; P167-Y169 HydrophobicContact CB-CD1 4.33Å; P167-Y169 HydrophobicContact CB-CE1 3.85Å; P167-Y169 HydrophobicContact CB-CE2 4.43Å; P167-Y169 PolarHBondContact O-N 3.4Å; Y169-V185 HydrophobicContact CD1-CG2 3.44Å; Y169-V185 VanDerWaalsContact CD1-CG2 3.44Å; Y169-V185 HydrophobicContact CE1-CG1 4.44Å; Y169-V185 HydrophobicContact CE1-CG2 3.9Å; Y169-V185 HydrophobicContact CG-CG2 4.21Å; Y169-M187 HydrophobicContact CD1-CB 4.08Å; Y169-M187 HydrophobicContact CE1-SD 4.12Å; Y169-I368 HydrophobicContact CE2-CD1 3.98Å; Y169-I368 HydrophobicContact CE2-CG1 4.48Å; Y169-I368 VanDerWaalsContact OH-CG1 3.22Å; Y169-I368 WeakPolarHBondContact OH-CG1 3.36Å
170	V	97.9	Very high	95.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-5.5	-173.8	-68.1	0	0	0	0	113.5	R93 F96 V98 Y103 F133 Q168 V186	R93-V170 WeakPolarHBondContact CD-O 3.34Å; R93-V170 HydrophobicContact CG-CB 3.7Å; R93-V170 HydrophobicContact CG-CG1 3.88Å; F96-V170 HydrophobicContact CD2-CG1 4.1Å; V98-V170 HydrophobicContact CG2-CG1 4.32Å; Y103-V170 HydrophobicContact CD2-CG2 4.32Å; Y103-V170 HydrophobicContact CE2-CB 4.05Å; Y103-V170 HydrophobicContact CE2-CG2 3.6Å; F133-V170 HydrophobicContact CD1-CG2 3.88Å; F133-V170 HydrophobicContact CE1-CG2 3.96Å; Q168-V170 PolarHBondContact O-N 3.42Å; V170-V186 HydrophobicContact CG2-CB 4.01Å; V170-V186 HydrophobicContact CG2-CG1 3.67Å; V170-V186 WeakPolarHBondContact CG2-O 3.45Å; V170-V186 PolarHBondContact N-O 2.78Å
171	G	98.4	Very high	95.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	153.2	172.8	0	0	0	0	0	112.4	V185 V186	G171-V185 WeakPolarHBondContact O-CG2 3.24Å; G171-V186 PolarHBondContact N-O 3.37Å; G171-V186 PolarHBondContact O-N 3.02Å
172	M	98.6	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129	174.1	-174.9	172.3	70.3	0	0	110.5	Y84 F89 I138 V143 V146 H147 A184	Y84-M172 HydrophobicContact CD1-CE 4.21Å; Y84-M172 HydrophobicContact CD2-CE 4.01Å; Y84-M172 HydrophobicContact CD2-CG 4.06Å; Y84-M172 HydrophobicContact CG-CE 3.65Å; Y84-M172 PolarHBondContact N-O 2.88Å; F89-M172 HydrophobicContact CE1-CB 4.49Å; F89-M172 HydrophobicContact CE2-CB 3.66Å; F89-M172 HydrophobicContact CZ-CB 3.6Å; I138-M172 HydrophobicContact CD1-SD 4.42Å; V143-M172 HydrophobicContact CG1-CE 4.21Å; V143-M172 HydrophobicContact CG1-SD 4.25Å; V146-M172 HydrophobicContact CB-SD 3.88Å; V146-M172 HydrophobicContact CG1-CE 4.14Å; V146-M172 HydrophobicContact CG1-SD 3.64Å; V146-M172 HydrophobicContact CG2-SD 4.32Å; H147-M172 WeakPolarHBondContact NE2-CE 3.26Å; M172-A184 WeakPolarHBondContact CA-O 3.43Å
173	Y	98.5	Very high	96.2	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.9	-169	-53.7	-80.2	0	0	0	111.6	F32 I36 K82 E83 Y103 Y183 A184 V186	F32-Y173 HydrophobicContact CE2-CD2 4.24Å; I36-Y173 HydrophobicContact CD1-CD2 4.48Å; I36-Y173 HydrophobicContact CD1-CE2 3.91Å; I36-Y173 HydrophobicContact CG1-CE1 4.07Å; I36-Y173 HydrophobicContact CG1-CE2 3.99Å; K82-Y173 CarbonylContact O-C 3.55Å; K82-Y173 VanDerWaalsContact O-CA 3.26Å; K82-Y173 WeakPolarHBondContact O-CA 3.34Å; E83-Y173 HydrophobicContact CB-CD1 3.98Å; E83-Y173 HydrophobicContact CB-CE1 3.97Å; E83-Y173 HydrophobicContact CG-CD1 4.05Å; E83-Y173 HydrophobicContact CG-CE1 3.64Å; E83-Y173 VanDerWaalsContact OE1-CE1 3.27Å; E83-Y173 WeakPolarHBondContact OE1-CE1 3.25Å; E83-Y173 PolarHBondContact OE1-OH 2.84Å; Y103-Y173 PolarHBondContact OH-OH 3.25Å; Y173-Y183 CarbonylContact O-C 3.48Å; Y173-Y183 WeakPolarHBondContact O-CA 3.37Å; Y173-A184 PolarHBondContact N-O 2.74Å; Y173-A184 PolarHBondContact O-N 3.05Å; Y173-V186 HydrophobicContact CD2-CG2 4.04Å; Y173-V186 HydrophobicContact CE2-CG2 3.71Å
174	R	98.4	Very high	96.5	Very high	36 Å²	36	25.9 Å²	25.9	14%	0.136	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.1	160	176.8	-176.6	70.7	168.2	-7.9	109.3	V81 K82 Y84 E181 V182 Y183	V81-R174 CarbonylContact C-O 3.57Å; K82-R174 HydrophobicContact CB-CB 4.23Å; K82-R174 PolarHBondContact N-O 2.69Å; K82-R174 PolarHBondContact O-N 2.56Å; Y84-R174 HydrophobicContact CE2-CB 3.68Å; R174-E181 WeakPolarHBondContact CD-OE2 3.38Å; R174-E181 IonicContact CZ-OE2 2.66Å; R174-E181 IonicContact NH1-OE1 3.81Å; R174-E181 PolarHBondContact NH1-OE1 3.2Å; R174-E181 IonicContact NH1-OE2 3.59Å; R174-E181 PolarHBondContact NH1-OE2 2.81Å; R174-V182 WeakPolarHBondContact CA-O 3.3Å; R174-Y183 HydrophobicContact CB-CD1 3.75Å; R174-Y183 HydrophobicContact CB-CE1 4.04Å; R174-Y183 VanDerWaalsContact CD-CE1 3.42Å; R174-Y183 HydrophobicContact CG-CD1 3.84Å; R174-Y183 HydrophobicContact CG-CE1 3.78Å
175	L	98	Very high	96.5	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.4	177.2	-49.1	176.8	0	0	0	108.2	L28 V31 F32 K80 V81 E181 V182	L28-L175 HydrophobicContact CD1-CB 3.86Å; L28-L175 HydrophobicContact CD1-CD1 3.59Å; L28-L175 HydrophobicContact CD1-CG 4.36Å; L28-L175 HydrophobicContact CG-CD1 4.22Å; V31-L175 HydrophobicContact CG1-CB 4.39Å; V31-L175 HydrophobicContact CG1-CD2 4.25Å; F32-L175 HydrophobicContact CB-CD1 3.65Å; F32-L175 HydrophobicContact CD2-CD1 4.05Å; F32-L175 HydrophobicContact CG-CD1 4.35Å; K80-L175 WeakPolarHBondContact O-CA 3.47Å; V81-L175 HydrophobicContact CG1-CD2 4.17Å; V81-L175 HydrophobicContact CG2-CD2 4.17Å; L175-E181 WeakPolarHBondContact O-CA 3.12Å; L175-V182 PolarHBondContact N-O 2.93Å; L175-V182 PolarHBondContact O-N 2.93Å
176	T	97.5	Very high	96.6	Very high	11 Å²	11	25.9 Å²	25.9	7%	0.067	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116	169.7	-49.6	0	0	0	0	108.3	F79 K80 A180 E181	F79-T176 CarbonylContact C-O 3.46Å; F79-T176 WeakPolarHBondContact CA-O 3.44Å; F79-T176 VanDerWaalsContact CB-O 3.27Å; F79-T176 WeakPolarHBondContact CB-O 3.16Å; K80-T176 HydrophobicContact CD-CG2 4.5Å; K80-T176 PolarHBondContact N-O 2.82Å; K80-T176 PolarHBondContact O-N 3.14Å; T176-A180 CarbonylContact C-O 3.59Å; T176-A180 VanDerWaalsContact CA-O 3.27Å; T176-A180 WeakPolarHBondContact CA-O 3.26Å; T176-E181 HydrophobicContact CG2-CG 4.12Å
177	V	94.4	Very high	96.6	Very high	13 Å²	13	27.2 Å²	27.2	8%	0.079	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.6	179.7	-169.7	0	0	0	0	108.1	P27 L28 V31 P76 G179 A180	P27-V177 HydrophobicContact CB-CG1 3.64Å; L28-V177 HydrophobicContact CD1-CG2 4.4Å; V31-V177 HydrophobicContact CB-CG2 3.75Å; V31-V177 HydrophobicContact CG1-CG2 3.93Å; V31-V177 HydrophobicContact CG2-CG1 4.42Å; V31-V177 HydrophobicContact CG2-CG2 3.68Å; P76-V177 HydrophobicContact CB-CG1 4.14Å; P76-V177 HydrophobicContact CG-CG1 3.8Å; V177-G179 PolarHBondContact O-N 3.46Å; V177-A180 PolarHBondContact N-O 2.84Å; V177-A180 PolarHBondContact O-N 3.13Å
178	E	88.2	Confident	96.5	Very high	161 Å²	161	29.4 Å²	29.4	75%	0.752	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	32.3	178.1	-62.4	179.4	173.8	0	0	114.2	A180	E178-A180 VanDerWaalsContact C-N 3.31Å; E178-A180 PolarHBondContact O-N 2.99Å
179	G	88.3	Confident	96.4	Very high	68 Å²	68	30.5 Å²	30.5	70%	0.701	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	-12.9	-179.7	0	0	0	0	0	115.1	V177	V177-G179 PolarHBondContact O-N 3.46Å
180	A	94.4	Very high	96.3	Very high	60 Å²	60	30.7 Å²	30.7	50%	0.496	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.8	174.2	0	0	0	0	0	110.9	T176 V177 E178	T176-A180 CarbonylContact C-O 3.59Å; T176-A180 VanDerWaalsContact CA-O 3.27Å; T176-A180 WeakPolarHBondContact CA-O 3.26Å; V177-A180 PolarHBondContact N-O 2.84Å; V177-A180 PolarHBondContact O-N 3.13Å; E178-A180 VanDerWaalsContact C-N 3.31Å; E178-A180 PolarHBondContact O-N 2.99Å
181	E	96.1	Very high	96.1	Very high	91 Å²	91	32.3 Å²	32.3	43%	0.425	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.1	171.8	-60.1	-160.9	165.8	0	0	110.1	R174 L175 T176 Y183	R174-E181 WeakPolarHBondContact CD-OE2 3.38Å; R174-E181 IonicContact CZ-OE2 2.66Å; R174-E181 IonicContact NH1-OE1 3.81Å; R174-E181 PolarHBondContact NH1-OE1 3.2Å; R174-E181 IonicContact NH1-OE2 3.59Å; R174-E181 PolarHBondContact NH1-OE2 2.81Å; L175-E181 WeakPolarHBondContact O-CA 3.12Å; T176-E181 HydrophobicContact CG2-CG 4.12Å; E181-Y183 PolarHBondContact OE2-OH 2.78Å
182	V	96.4	Very high	95.5	Very high	38 Å²	38	32.5 Å²	32.5	23%	0.23	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.3	174.8	178.9	0	0	0	0	108.5	L28 T137 R174 L175	L28-V182 HydrophobicContact CD1-CB 3.78Å; L28-V182 HydrophobicContact CD1-CG1 4.15Å; L28-V182 HydrophobicContact CD1-CG2 3.91Å; L28-V182 HydrophobicContact CD2-CB 4.41Å; L28-V182 HydrophobicContact CD2-CG1 4.02Å; L28-V182 HydrophobicContact CD2-CG2 4.26Å; T137-V182 HydrophobicContact CG2-CG1 3.87Å; R174-V182 WeakPolarHBondContact CA-O 3.3Å; L175-V182 PolarHBondContact N-O 2.93Å; L175-V182 PolarHBondContact O-N 2.93Å
183	Y	97.7	Very high	94.8	Very high	42 Å²	42	39.6 Å²	39.6	17%	0.165	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.8	173.8	-50.6	-96.1	0	0	0	109.1	T137 I138 A140 V143 Y173 R174 E181	T137-Y183 CarbonylContact C-O 3.58Å; T137-Y183 VanDerWaalsContact CA-O 3.22Å; T137-Y183 WeakPolarHBondContact CA-O 3.43Å; I138-Y183 PolarHBondContact N-O 3.46Å; I138-Y183 WeakPolarHBondContact O-CB 3.34Å; A140-Y183 HydrophobicContact CB-CE2 4.09Å; V143-Y183 HydrophobicContact CG2-CD1 3.61Å; V143-Y183 HydrophobicContact CG2-CE1 4.39Å; V143-Y183 HydrophobicContact CG2-CG 3.7Å; Y173-Y183 CarbonylContact O-C 3.48Å; Y173-Y183 WeakPolarHBondContact O-CA 3.37Å; R174-Y183 HydrophobicContact CB-CD1 3.75Å; R174-Y183 HydrophobicContact CB-CE1 4.04Å; R174-Y183 VanDerWaalsContact CD-CE1 3.42Å; R174-Y183 HydrophobicContact CG-CD1 3.84Å; R174-Y183 HydrophobicContact CG-CE1 3.78Å; E181-Y183 PolarHBondContact OE2-OH 2.78Å
184	A	97.5	Very high	94.2	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.033	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	136.9	-179.6	0	0	0	0	0	110.6	I135 K136 M172 Y173	I135-A184 HydrophobicContact CG2-CB 4.03Å; K136-A184 VanDerWaalsContact O-CA 3.31Å; K136-A184 WeakPolarHBondContact O-CA 3.44Å; M172-A184 WeakPolarHBondContact CA-O 3.43Å; Y173-A184 PolarHBondContact N-O 2.74Å; Y173-A184 PolarHBondContact O-N 3.05Å
185	V	97.8	Very high	93.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	138	166.9	68.8	0	0	0	0	109	K136 I138 Y169 G171 M187	K136-V185 HydrophobicContact CB-CG1 4Å; K136-V185 PolarHBondContact N-O 3.49Å; K136-V185 PolarHBondContact O-N 2.98Å; I138-V185 HydrophobicContact CD1-CB 4.2Å; I138-V185 HydrophobicContact CD1-CG1 4.49Å; I138-V185 HydrophobicContact CG2-CG1 3.99Å; Y169-V185 HydrophobicContact CD1-CG2 3.44Å; Y169-V185 VanDerWaalsContact CD1-CG2 3.44Å; Y169-V185 HydrophobicContact CE1-CG1 4.44Å; Y169-V185 HydrophobicContact CE1-CG2 3.9Å; Y169-V185 HydrophobicContact CG-CG2 4.21Å; G171-V185 WeakPolarHBondContact O-CG2 3.24Å; V185-M187 HydrophobicContact CG1-CE 4.38Å
186	V	98.4	Very high	93.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.8	175.5	-172.4	0	0	0	0	108.1	F32 Y103 L107 F133 V134 I135 V170 G171 Y173	F32-V186 HydrophobicContact CE2-CG2 4.02Å; F32-V186 HydrophobicContact CZ-CG2 3.89Å; Y103-V186 HydrophobicContact CE2-CG1 4.06Å; L107-V186 HydrophobicContact CD1-CG1 3.91Å; L107-V186 HydrophobicContact CD2-CG1 4.23Å; F133-V186 HydrophobicContact CB-CG1 4.03Å; F133-V186 HydrophobicContact CD1-CG1 4.37Å; F133-V186 HydrophobicContact CG-CG1 4.35Å; V134-V186 WeakPolarHBondContact O-CA 3.28Å; I135-V186 HydrophobicContact CG1-CG2 4.34Å; I135-V186 HydrophobicContact CG2-CG2 4.48Å; V170-V186 HydrophobicContact CG2-CB 4.01Å; V170-V186 HydrophobicContact CG2-CG1 3.67Å; V170-V186 WeakPolarHBondContact CG2-O 3.45Å; V170-V186 PolarHBondContact N-O 2.78Å; G171-V186 PolarHBondContact N-O 3.37Å; G171-V186 PolarHBondContact O-N 3.02Å; Y173-V186 HydrophobicContact CD2-CG2 4.04Å; Y173-V186 HydrophobicContact CE2-CG2 3.71Å
187	M	97.8	Very high	93.2	Very high	28 Å²	28	48.7 Å²	48.7	14%	0.138	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	155.5	179.5	56.7	-166.7	144	0	0	111.5	F133 V134 K136 P167 Q168 Y169 V185	F133-M187 CarbonylContact C-O 3.6Å; F133-M187 VanDerWaalsContact CA-O 3.31Å; F133-M187 WeakPolarHBondContact CA-O 3.35Å; V134-M187 HydrophobicContact CB-CG 4.17Å; V134-M187 HydrophobicContact CG1-CE 4.07Å; V134-M187 PolarHBondContact N-O 3.26Å; V134-M187 PolarHBondContact O-N 2.87Å; K136-M187 HydrophobicContact CB-CE 3.56Å; K136-M187 HydrophobicContact CD-CE 4Å; K136-M187 HydrophobicContact CG-CE 4.41Å; P167-M187 HydrophobicContact CB-SD 4.02Å; Q168-M187 CarbonylContact O-C 3.58Å; Q168-M187 WeakPolarHBondContact O-CA 3.22Å; Q168-M187 WeakPolarHBondContact O-CB 3.31Å; Y169-M187 HydrophobicContact CD1-CB 4.08Å; Y169-M187 HydrophobicContact CE1-SD 4.12Å; V185-M187 HydrophobicContact CG1-CE 4.38Å
188	R	96.7	Very high	93.1	Very high	50 Å²	50	50.4 Å²	50.4	19%	0.189	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	138.9	171.7	-172.8	-179	-71.2	-86.9	7.6	109.9	F96 V98 Q168 Y347	F96-R188 PolarHBondContact O-NH2 3.01Å; V98-R188 VanDerWaalsContact CG2-NH2 3.28Å; Q168-R188 HydrophobicContact CB-CB 3.94Å; Q168-R188 PolarHBondContact O-N 3.47Å; Q168-R188 VanDerWaalsContact OE1-CD 3.31Å; R188-Y347 HydrophobicContact CB-CE2 4.47Å; R188-Y347 HydrophobicContact CG-CE2 4.3Å
189	N	95.5	Very high	93.4	Very high	24 Å²	24	46.3 Å²	46.3	13%	0.128	26%	0.255	C	S	.	.			trans	-69.5	137.5	173.7	-164.3	-7.3	0	0	0	110.6	M131 C132 V134 F191	M131-N189 WeakPolarHBondContact O-CB 3.4Å; M131-N189 PolarHBondContact O-ND2 3Å; C132-N189 PolarHBondContact O-N 3Å; V134-N189 HydrophobicContact CG2-CB 3.96Å; N189-F191 VanDerWaalsContact C-N 3.33Å; N189-F191 PolarHBondContact ND2-O 3.49Å; N189-F191 PolarHBondContact OD1-N 3.38Å; N189-F191 VanDerWaalsContact OD1-N 3.13Å
190	V	95.6	Very high	93.8	Very high	13 Å²	13	44.4 Å²	44.4	8%	0.079	23%	0.228	C	C	.	.	S	Bend	trans	-71.3	-35.1	174.5	176.1	0	0	0	0	110.5	L268 Y347 F362 I366	V190-L268 HydrophobicContact CB-CD2 4.1Å; V190-L268 HydrophobicContact CG1-CD2 4.25Å; V190-L268 HydrophobicContact CG2-CD2 4.37Å; V190-Y347 HydrophobicContact CB-CD2 4.33Å; V190-Y347 HydrophobicContact CG1-CD2 4.48Å; V190-Y347 HydrophobicContact CG1-CG 4.27Å; V190-Y347 HydrophobicContact CG2-CD2 4.34Å; V190-Y347 HydrophobicContact CG2-CE2 4.22Å; V190-F362 HydrophobicContact CG1-CB 4.48Å; V190-F362 WeakPolarHBondContact O-CD1 3.41Å; V190-I366 HydrophobicContact CG2-CG2 4.31Å
191	F	93.5	Very high	93.9	Very high	34 Å²	34	41.6 Å²	41.6	15%	0.149	20%	0.204	C	C	.	.	S	Bend	trans	-91.3	144.7	-179.1	-57.7	-28.6	0	0	0	111.4	N189 I197 K200 L268 F362	N189-F191 VanDerWaalsContact C-N 3.33Å; N189-F191 PolarHBondContact ND2-O 3.49Å; N189-F191 PolarHBondContact OD1-N 3.38Å; N189-F191 VanDerWaalsContact OD1-N 3.13Å; F191-I197 HydrophobicContact CB-CD1 4.2Å; F191-I197 HydrophobicContact CB-CG1 3.94Å; F191-I197 HydrophobicContact CD1-CD1 4.09Å; F191-I197 HydrophobicContact CD1-CG1 4.06Å; F191-I197 HydrophobicContact CD2-CG1 4.06Å; F191-I197 HydrophobicContact CG-CD1 4.17Å; F191-I197 HydrophobicContact CG-CG1 3.76Å; F191-K200 HydrophobicContact CE2-CB 4.47Å; F191-K200 HydrophobicContact CE2-CD 4.35Å; F191-K200 HydrophobicContact CZ-CB 3.99Å; F191-L268 HydrophobicContact CE1-CD1 4.49Å; F191-L268 HydrophobicContact CE1-CD2 3.85Å; F191-L268 HydrophobicContact CE1-CG 3.84Å; F191-L268 HydrophobicContact CE2-CD2 4.11Å; F191-L268 HydrophobicContact CZ-CD1 3.8Å; F191-L268 HydrophobicContact CZ-CD2 3.55Å; F191-L268 HydrophobicContact CZ-CG 3.6Å; F191-F362 HydrophobicContact CD1-CB 3.85Å; F191-F362 HydrophobicContact CD1-CG 4.48Å; F191-F362 HydrophobicContact CE1-CB 4.36Å
192	S	86.7	Confident	93.9	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.028	19%	0.19	C	C	.	.			trans	-70.6	151.9	177.3	170.7	0	0	0	0	112.4	N194 Y195 E345	S192-N194 PolarHBondContact OG-N 2.82Å; S192-Y195 VanDerWaalsContact OG-CD2 3.26Å; S192-Y195 WeakPolarHBondContact OG-CD2 3.26Å; S192-Y195 PolarHBondContact OG-N 3.38Å; S192-Y195 VanDerWaalsContact OG-N 3.12Å; S192-E345 VanDerWaalsContact CA-OE2 3.3Å; S192-E345 WeakPolarHBondContact CA-OE2 3.42Å; S192-E345 WeakPolarHBondContact CB-OE1 3.46Å; S192-E345 WeakPolarHBondContact CB-OE2 3.18Å; S192-E345 PolarHBondContact OG-OE1 2.9Å; S192-E345 PolarHBondContact OG-OE2 2.56Å
193	R	83.5	Confident	93.9	Very high	148 Å²	148	36.7 Å²	36.7	56%	0.558	18%	0.18	S	C	*	.	S	Bend	trans	-76.2	-28.6	165.5	82.4	-179.1	-148.5	-172.5	4.4	113.2	D130 M131	D130-R193 WeakPolarHBondContact O-CB 3.3Å; D130-R193 WeakPolarHBondContact O-CD 3.32Å; M131-R193 HydrophobicContact CB-CB 3.91Å
194	N	86	Confident	93.8	Very high	90 Å²	90	36.2 Å²	36.2	48%	0.481	18%	0.178	S	C	.	.	S	Bend	trans	-94.5	-21.1	-169.9	-57.3	-52.3	0	0	0	112.3	S192 P196 E345	S192-N194 PolarHBondContact OG-N 2.82Å; N194-P196 WeakPolarHBondContact O-CD 3.2Å; N194-E345 PolarHBondContact ND2-OE1 3.12Å
195	Y	89.6	Confident	93.6	Very high	30 Å²	30	36 Å²	36	12%	0.118	18%	0.177	C	C	.	.	S	Bend	trans	-119.6	94.6	-175.6	-58.4	-73.1	0	0	0	111	S192 I197 H272 Q341 V342 E345 I360 F362	S192-Y195 VanDerWaalsContact OG-CD2 3.26Å; S192-Y195 WeakPolarHBondContact OG-CD2 3.26Å; S192-Y195 PolarHBondContact OG-N 3.38Å; S192-Y195 VanDerWaalsContact OG-N 3.12Å; Y195-I197 PolarHBondContact O-N 2.98Å; Y195-H272 AromaticContact CD1-CD2 3.75Å; Y195-H272 AromaticContact CD1-NE2 3.75Å; Y195-Q341 VanDerWaalsContact OH-C 3.32Å; Y195-Q341 PolarHBondContact OH-O 3.26Å; Y195-V342 HydrophobicContact CE2-CG2 4.3Å; Y195-E345 HydrophobicContact CD2-CG 4.2Å; Y195-E345 HydrophobicContact CE2-CG 3.98Å; Y195-I360 HydrophobicContact CD1-CD1 3.69Å; Y195-I360 HydrophobicContact CD2-CD1 4.44Å; Y195-I360 HydrophobicContact CE1-CD1 3.65Å; Y195-I360 HydrophobicContact CE2-CD1 4.44Å; Y195-I360 HydrophobicContact CG-CD1 4.1Å; Y195-F362 AromaticContact CD2-CZ 3.86Å; Y195-F362 HydrophobicContact CD2-CZ 3.86Å; Y195-F362 HydrophobicContact CG-CZ 4.13Å
196	P	91	Very high	93.3	Very high	98 Å²	98	36 Å²	36	64%	0.636	18%	0.177	S	C	*	.			trans	-57.6	126.8	179.8	-25.6	34.4	0	0	0	112	N194 S198 H272	N194-P196 WeakPolarHBondContact O-CD 3.2Å; P196-S198 PolarHBondContact O-N 2.99Å; P196-H272 PolarHBondContact O-ND1 3.23Å
197	I	92.5	Very high	92.8	Very high	26 Å²	26	38.4 Å²	38.4	13%	0.133	19%	0.191	C	C	.	.			trans	-76	127.2	-178.3	-51	-59.2	0	0	0	109.4	F191 Y195 K199 K200 F221 I271 F362	F191-I197 HydrophobicContact CB-CD1 4.2Å; F191-I197 HydrophobicContact CB-CG1 3.94Å; F191-I197 HydrophobicContact CD1-CD1 4.09Å; F191-I197 HydrophobicContact CD1-CG1 4.06Å; F191-I197 HydrophobicContact CD2-CG1 4.06Å; F191-I197 HydrophobicContact CG-CD1 4.17Å; F191-I197 HydrophobicContact CG-CG1 3.76Å; Y195-I197 PolarHBondContact O-N 2.98Å; I197-K199 WeakPolarHBondContact CG2-O 3.4Å; I197-K200 HydrophobicContact CG2-CB 4.43Å; I197-F221 HydrophobicContact CB-CE1 4.28Å; I197-F221 HydrophobicContact CB-CE2 4.27Å; I197-F221 HydrophobicContact CB-CZ 3.54Å; I197-F221 HydrophobicContact CG2-CE1 4.46Å; I197-F221 HydrophobicContact CG2-CE2 4.27Å; I197-F221 HydrophobicContact CG2-CZ 3.52Å; I197-F221 WeakPolarHBondContact O-CE2 3.35Å; I197-F221 WeakPolarHBondContact O-CZ 3.34Å; I197-I271 WeakPolarHBondContact CG2-O 3.46Å; I197-F362 HydrophobicContact CD1-CD2 3.34Å; I197-F362 HydrophobicContact CD1-CE2 3.72Å; I197-F362 HydrophobicContact CD1-CG 4.11Å
198	S	92.8	Very high	92.2	Very high	48 Å²	48	38.5 Å²	38.5	34%	0.336	19%	0.194	S	C	.	.	S	Bend	trans	-85.2	-37.4	176.5	65	0	0	0	0	112.6	P196 I271	P196-S198 PolarHBondContact O-N 2.99Å; S198-I271 PolarHBondContact N-O 3.1Å; S198-I271 PolarHBondContact OG-O 2.94Å
199	K	94.3	Very high	91.7	Very high	75 Å²	75	41.1 Å²	41.1	33%	0.326	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144.9	177.9	-69.6	-169.9	173.9	-167.4	0	110.6	I197 Y201 E232 G270 I271	I197-K199 WeakPolarHBondContact CG2-O 3.4Å; K199-Y201 HydrophobicContact CB-CE2 4.14Å; K199-E232 IonicContact NZ-OE1 3.38Å; K199-E232 IonicContact NZ-OE2 2.89Å; K199-E232 PolarHBondContact NZ-OE2 3.26Å; K199-G270 CarbonylContact O-C 3.58Å; K199-I271 HydrophobicContact CB-CB 4.4Å; K199-I271 HydrophobicContact CB-CD1 4.5Å; K199-I271 PolarHBondContact N-O 2.64Å; K199-I271 PolarHBondContact O-N 3.22Å
200	K	95.8	Very high	91.5	Very high	29 Å²	29	41 Å²	41	13%	0.126	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.2	173.5	56	167.6	172.2	-179.1	0	112.2	F191 I197 F221 P222 T223 Y224 V269	F191-K200 HydrophobicContact CE2-CB 4.47Å; F191-K200 HydrophobicContact CE2-CD 4.35Å; F191-K200 HydrophobicContact CZ-CB 3.99Å; I197-K200 HydrophobicContact CG2-CB 4.43Å; K200-F221 HydrophobicContact CB-CE1 4.4Å; K200-F221 HydrophobicContact CB-CZ 4.15Å; K200-F221 HydrophobicContact CD-CD1 3.92Å; K200-F221 HydrophobicContact CD-CE1 3.4Å; K200-F221 HydrophobicContact CD-CZ 3.94Å; K200-F221 WeakPolarHBondContact CE-O 3.49Å; K200-F221 HydrophobicContact CG-CD1 4.44Å; K200-F221 HydrophobicContact CG-CE1 3.74Å; K200-F221 HydrophobicContact CG-CZ 3.72Å; K200-F221 PolarHBondContact NZ-O 3.48Å; K200-P222 VanDerWaalsContact CE-C 3.4Å; K200-P222 WeakPolarHBondContact CE-O 3.32Å; K200-P222 VanDerWaalsContact CG-O 3.29Å; K200-P222 WeakPolarHBondContact CG-O 3.4Å; K200-T223 HydrophobicContact CD-CG2 4.34Å; K200-T223 WeakPolarHBondContact CE-OG1 3.3Å; K200-T223 PolarHBondContact NZ-OG1 3.11Å; K200-T223 VanDerWaalsContact NZ-OG1 3.09Å; K200-Y224 PolarHBondContact O-N 2.61Å; K200-V269 CarbonylContact C-O 3.47Å; K200-V269 WeakPolarHBondContact CA-O 3.47Å
201	Y	97.1	Very high	91.5	Very high	1 Å²	1	44 Å²	44	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136	177.8	-57.7	-95	0	0	0	110.6	K199 Y224 F229 E232 L268 V269 I271	K199-Y201 HydrophobicContact CB-CE2 4.14Å; Y201-Y224 CarbonylContact C-O 3.53Å; Y201-Y224 VanDerWaalsContact CA-O 3.29Å; Y201-Y224 WeakPolarHBondContact CA-O 3.47Å; Y201-Y224 HydrophobicContact CD1-CG 4.42Å; Y201-Y224 HydrophobicContact CE1-CD2 4.34Å; Y201-Y224 HydrophobicContact CE1-CG 4.17Å; Y201-F229 HydrophobicContact CD1-CB 3.81Å; Y201-F229 AromaticContact CD1-CD2 3.73Å; Y201-F229 HydrophobicContact CD1-CD2 3.73Å; Y201-F229 HydrophobicContact CD1-CG 4.28Å; Y201-F229 HydrophobicContact CD2-CD2 4.03Å; Y201-F229 HydrophobicContact CD2-CE2 4.49Å; Y201-F229 HydrophobicContact CE1-CB 4.01Å; Y201-F229 AromaticContact CE1-CD2 3.96Å; Y201-F229 HydrophobicContact CE1-CD2 3.96Å; Y201-F229 HydrophobicContact CE1-CG 4.44Å; Y201-F229 HydrophobicContact CE2-CD2 4.24Å; Y201-F229 AromaticContact CG-CD2 3.79Å; Y201-F229 HydrophobicContact CG-CD2 3.79Å; Y201-E232 PolarHBondContact OH-OE2 2.96Å; Y201-L268 WeakPolarHBondContact O-CA 3.4Å; Y201-V269 PolarHBondContact N-O 3.39Å; Y201-V269 PolarHBondContact O-N 3.14Å; Y201-I271 HydrophobicContact CD2-CD1 4.4Å; Y201-I271 HydrophobicContact CE2-CD1 3.84Å
202	D	96.3	Very high	91.5	Very high	23 Å²	23	42.8 Å²	42.8	12%	0.123	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.6	165.4	172.2	-67.9	0	0	0	107.1	R210 T223 Y224 K225 S266	D202-R210 VanDerWaalsContact C-NH2 3.33Å; D202-R210 PolarHBondContact O-NH2 2.96Å; D202-R210 IonicContact OD1-CZ 2.66Å; D202-R210 IonicContact OD1-NH1 2.68Å; D202-R210 PolarHBondContact OD1-NH1 2.97Å; D202-R210 IonicContact OD1-NH2 3.67Å; D202-R210 PolarHBondContact OD1-NH2 3.14Å; D202-T223 HydrophobicContact CB-CG2 3.88Å; D202-Y224 PolarHBondContact N-O 3.01Å; D202-K225 WeakPolarHBondContact O-CA 3.46Å; D202-S266 VanDerWaalsContact CG-CB 3.46Å; D202-S266 PolarHBondContact OD1-OG 2.81Å; D202-S266 WeakPolarHBondContact OD2-CB 3.44Å; D202-S266 PolarHBondContact OD2-OG 2.79Å
203	L	96.6	Very high	91.8	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.2	-172.4	-56.3	173.3	0	0	0	111.1	F229 S266 L267 V269 F408	L203-F229 HydrophobicContact CD1-CD2 4.26Å; L203-F229 HydrophobicContact CD1-CE2 4.38Å; L203-F229 HydrophobicContact CD2-CB 3.95Å; L203-F229 HydrophobicContact CD2-CD2 4.21Å; L203-F229 HydrophobicContact CD2-CG 4.14Å; L203-S266 CarbonylContact O-C 3.49Å; L203-S266 VanDerWaalsContact O-CA 3.31Å; L203-S266 WeakPolarHBondContact O-CA 3.26Å; L203-L267 HydrophobicContact CB-CB 4.45Å; L203-L267 PolarHBondContact N-O 2.98Å; L203-L267 PolarHBondContact O-N 2.82Å; L203-V269 HydrophobicContact CD1-CG2 3.81Å; L203-F408 HydrophobicContact CB-CE1 4.2Å; L203-F408 HydrophobicContact CD1-CE1 4.1Å; L203-F408 HydrophobicContact CD2-CE1 3.98Å; L203-F408 HydrophobicContact CD2-CZ 4.29Å; L203-F408 HydrophobicContact CG-CE1 4.31Å
204	K	95.6	Very high	92.2	Very high	31 Å²	31	47 Å²	47	14%	0.135	25%	0.249	C	C	.	.			trans	-125.8	-1.6	-179.9	-73.7	-170.8	-175.3	-161.8	0	113.9	S206 D226 D264 S266 Y401 R404	K204-S206 PolarHBondContact O-N 3.45Å; K204-D226 PolarHBondContact N-OD1 3.12Å; K204-D226 PolarHBondContact N-OD2 3.05Å; K204-D264 WeakPolarHBondContact CE-O 3.35Å; K204-D264 PolarHBondContact NZ-O 3.19Å; K204-S266 WeakPolarHBondContact CE-OG 3.28Å; K204-Y401 WeakPolarHBondContact CD-OH 3.28Å; K204-Y401 VanDerWaalsContact CG-OH 3.26Å; K204-Y401 WeakPolarHBondContact CG-OH 3.35Å; K204-R404 PolarHBondContact O-NE 3.4Å; K204-R404 PolarHBondContact O-NH2 2.75Å
205	G	93.4	Very high	92.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.01	26%	0.259	C	S	.	.	S	Bend	trans	66.5	17.9	-171.6	0	0	0	0	0	113.7	D226 R404	G205-D226 WeakPolarHBondContact CA-OD1 3.1Å; G205-D226 PolarHBondContact N-OD1 2.91Å; G205-R404 WeakPolarHBondContact O-CD 3.4Å; G205-R404 WeakPolarHBondContact O-CG 3.36Å; G205-R404 PolarHBondContact O-NE 2.97Å
206	S	91.4	Very high	92.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.259	C	S	.	.			trans	-118.1	156.5	179.8	51.1	0	0	0	0	109.8	K204 R210 D226 E392	K204-S206 PolarHBondContact O-N 3.45Å; S206-R210 VanDerWaalsContact O-CB 3.26Å; S206-R210 WeakPolarHBondContact O-CB 3.33Å; S206-R210 WeakPolarHBondContact O-CG 3.3Å; S206-R210 WeakPolarHBondContact OG-CG 3.35Å; S206-D226 PolarHBondContact N-OD1 3.1Å; S206-D226 WeakPolarHBondContact O-CB 3.22Å; S206-E392 VanDerWaalsContact CB-O 3.26Å; S206-E392 WeakPolarHBondContact CB-O 3.48Å
207	T	87.4	Confident	92.7	Very high	50 Å²	50	52 Å²	52	31%	0.307	25%	0.253	S	S	.	.			trans	-109.8	-24.1	-178.3	45.3	0	0	0	0	112.6	Q209 R210 I227 E392	T207-Q209 PolarHBondContact O-N 2.95Å; T207-R210 PolarHBondContact O-N 2.66Å; T207-I227 WeakPolarHBondContact O-CD1 3.31Å; T207-E392 VanDerWaalsContact CG2-OE2 3.28Å; T207-E392 WeakPolarHBondContact CG2-OE2 3.32Å; T207-E392 PolarHBondContact N-O 3.47Å; T207-E392 PolarHBondContact OG1-OE2 3.21Å
208	V	85.4	Confident	92.7	Very high	31 Å²	31	54.9 Å²	54.9	19%	0.188	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	115.3	-178.1	-180	0	0	0	0	112.2	R210 Y387 A391 E392 I393	V208-R210 VanDerWaalsContact C-N 3.27Å; V208-R210 WeakPolarHBondContact O-CG 3.39Å; V208-R210 PolarHBondContact O-N 3.16Å; V208-Y387 HydrophobicContact CG1-CD1 4.2Å; V208-Y387 HydrophobicContact CG1-CD2 3.97Å; V208-Y387 HydrophobicContact CG1-CE1 4.05Å; V208-Y387 HydrophobicContact CG1-CE2 3.8Å; V208-Y387 HydrophobicContact CG1-CG 4.17Å; V208-A391 HydrophobicContact CG2-CB 4.19Å; V208-E392 PolarHBondContact N-O 2.94Å; V208-I393 HydrophobicContact CB-CG2 4.19Å; V208-I393 HydrophobicContact CG1-CG2 4.27Å; V208-I393 HydrophobicContact CG2-CG2 3.92Å
209	Q	85.5	Confident	92.5	Very high	105 Å²	105	55 Å²	55	49%	0.491	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	33.7	-177.6	-57.3	-180	-19.7	0	0	113.7	T207 Y387	T207-Q209 PolarHBondContact O-N 2.95Å; Q209-Y387 PolarHBondContact NE2-OH 3.26Å
210	R	92.5	Very high	92.1	Very high	20 Å²	20	61 Å²	61	8%	0.075	31%	0.305	C	S	.	.			trans	-110.8	43.6	-177.7	-62.3	-62.5	-61.8	170	-1.2	112.1	D202 S206 T207 V208 K225 D226 I227	D202-R210 VanDerWaalsContact C-NH2 3.33Å; D202-R210 PolarHBondContact O-NH2 2.96Å; D202-R210 IonicContact OD1-CZ 2.66Å; D202-R210 IonicContact OD1-NH1 2.68Å; D202-R210 PolarHBondContact OD1-NH1 2.97Å; D202-R210 IonicContact OD1-NH2 3.67Å; D202-R210 PolarHBondContact OD1-NH2 3.14Å; S206-R210 VanDerWaalsContact O-CB 3.26Å; S206-R210 WeakPolarHBondContact O-CB 3.33Å; S206-R210 WeakPolarHBondContact O-CG 3.3Å; S206-R210 WeakPolarHBondContact OG-CG 3.35Å; T207-R210 PolarHBondContact O-N 2.66Å; V208-R210 VanDerWaalsContact C-N 3.27Å; V208-R210 WeakPolarHBondContact O-CG 3.39Å; V208-R210 PolarHBondContact O-N 3.16Å; R210-K225 VanDerWaalsContact C-CB 3.43Å; R210-K225 HydrophobicContact CB-CB 4.47Å; R210-K225 CarbonylContact O-C 3.53Å; R210-K225 WeakPolarHBondContact O-CB 3.22Å; R210-D226 HydrophobicContact CB-CB 3.94Å; R210-D226 IonicContact CZ-OD2 2.95Å; R210-D226 IonicContact NE-OD2 3.75Å; R210-D226 PolarHBondContact NE-OD2 3.37Å; R210-D226 IonicContact NH2-OD2 3.38Å; R210-D226 PolarHBondContact NH2-OD2 2.87Å; R210-D226 PolarHBondContact O-N 3.31Å; R210-I227 WeakPolarHBondContact O-CB 3.17Å; R210-I227 PolarHBondContact O-N 3.41Å
211	Q	94.5	Very high	91.7	Very high	77 Å²	77	63 Å²	63	36%	0.36	31%	0.313	S	S	.	.	S	Bend	trans	-120.2	150.6	168.3	-158.4	172.9	18.9	0	0	109.7	K225 I227 D228 E231	Q211-K225 PolarHBondContact O-NZ 2.89Å; Q211-K225 VanDerWaalsContact O-NZ 3.12Å; Q211-I227 HydrophobicContact CB-CB 4.05Å; Q211-I227 HydrophobicContact CB-CD1 4.14Å; Q211-I227 HydrophobicContact CB-CG2 4.29Å; Q211-I227 HydrophobicContact CG-CB 4.21Å; Q211-I227 HydrophobicContact CG-CG2 4.04Å; Q211-D228 WeakPolarHBondContact CA-OD2 3.37Å; Q211-D228 WeakPolarHBondContact CG-OD1 3.46Å; Q211-E231 PolarHBondContact NE2-OE2 2.84Å; Q211-E231 VanDerWaalsContact NE2-OE2 3.11Å
212	A	93	Very high	91.5	Very high	9 Å²	9	63.7 Å²	63.7	7%	0.074	32%	0.318	C	S	.	.			trans	-65.9	130	172.9	0	0	0	0	0	110.3	E216 R217 Y224 D228	A212-E216 HydrophobicContact CB-CB 4.4Å; A212-E216 HydrophobicContact CB-CG 4.37Å; A212-R217 HydrophobicContact CB-CG 3.72Å; A212-Y224 HydrophobicContact CB-CD1 4.08Å; A212-D228 PolarHBondContact N-OD2 3.34Å
213	S	92.8	Very high	91.4	Very high	67 Å²	67	64.2 Å²	64.2	47%	0.469	32%	0.322	S	S	.	.			trans	-67.9	156	174	56	0	0	0	0	110.7	K215 E216 R217	S213-K215 PolarHBondContact O-N 3.04Å; S213-K215 VanDerWaalsContact O-N 3.16Å; S213-E216 WeakPolarHBondContact O-CA 3.42Å; S213-E216 WeakPolarHBondContact O-CB 3.47Å; S213-E216 PolarHBondContact O-N 2.98Å; S213-E216 PolarHBondContact OG-N 2.8Å; S213-R217 PolarHBondContact O-N 3.01Å
214	E	93.3	Very high	91.4	Very high	174 Å²	174	65.9 Å²	65.9	81%	0.813	33%	0.328	S	S	*	.	H	α-helix	trans	-50.5	-42.4	175.1	-65.6	174.3	-175.1	0	0	112.7	E216 R217 A218	E214-E216 VanDerWaalsContact C-N 3.29Å; E214-E216 PolarHBondContact O-N 2.77Å; E214-R217 PolarHBondContact O-N 3.19Å; E214-A218 WeakPolarHBondContact O-CB 3.43Å; E214-A218 PolarHBondContact O-N 3.12Å
215	K	91.2	Very high	91.4	Very high	163 Å²	163	67 Å²	67	71%	0.709	33%	0.333	S	S	*	.	H	α-helix	trans	-60.1	-35.6	174.8	-174.5	-179.5	178.9	-176.6	0	113.5	S213	S213-K215 PolarHBondContact O-N 3.04Å; S213-K215 VanDerWaalsContact O-N 3.16Å
216	E	91.9	Very high	91.6	Very high	21 Å²	21	67 Å²	67	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-74	-42.3	178.3	-175.5	63.4	-163	0	0	110.1	A212 S213 E214 A218 K219 P222 T223	A212-E216 HydrophobicContact CB-CB 4.4Å; A212-E216 HydrophobicContact CB-CG 4.37Å; S213-E216 WeakPolarHBondContact O-CA 3.42Å; S213-E216 WeakPolarHBondContact O-CB 3.47Å; S213-E216 PolarHBondContact O-N 2.98Å; S213-E216 PolarHBondContact OG-N 2.8Å; E214-E216 VanDerWaalsContact C-N 3.29Å; E214-E216 PolarHBondContact O-N 2.77Å; E216-A218 PolarHBondContact O-N 2.85Å; E216-K219 WeakPolarHBondContact O-CB 3.49Å; E216-K219 WeakPolarHBondContact O-CG 3.49Å; E216-K219 PolarHBondContact O-N 2.5Å; E216-K219 VanDerWaalsContact O-N 3.17Å; E216-K219 IonicContact OE1-NZ 3.14Å; E216-K219 WeakPolarHBondContact OE2-CD 3.39Å; E216-K219 WeakPolarHBondContact OE2-CE 3.29Å; E216-K219 IonicContact OE2-NZ 2.69Å; E216-K219 PolarHBondContact OE2-NZ 2.98Å; E216-P222 VanDerWaalsContact O-CB 3.26Å; E216-P222 WeakPolarHBondContact O-CB 3.48Å; E216-T223 WeakPolarHBondContact OE1-CB 3.49Å; E216-T223 PolarHBondContact OE1-N 2.88Å; E216-T223 PolarHBondContact OE1-OG1 3.36Å
217	R	92.8	Very high	91.8	Very high	138 Å²	138	68.8 Å²	68.8	52%	0.521	34%	0.342	S	S	.	.	H	α-helix	trans	-65.7	-24.5	178.2	-63.1	-179	73.5	174.6	6.8	113.3	A212 S213 E214 K219 Y224	A212-R217 HydrophobicContact CB-CG 3.72Å; S213-R217 PolarHBondContact O-N 3.01Å; E214-R217 PolarHBondContact O-N 3.19Å; R217-K219 VanDerWaalsContact C-N 3.29Å; R217-Y224 HydrophobicContact CG-CE1 4.4Å
218	A	92.5	Very high	92.2	Very high	86 Å²	86	66.6 Å²	66.6	71%	0.711	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-10	176.5	0	0	0	0	0	113.9	E214 E216	E214-A218 WeakPolarHBondContact O-CB 3.43Å; E214-A218 PolarHBondContact O-N 3.12Å; E216-A218 PolarHBondContact O-N 2.85Å
219	K	89.5	Confident	92.7	Very high	50 Å²	50	65.2 Å²	65.2	22%	0.217	32%	0.32	C	S	.	.	S	Bend	trans	-71.3	152.1	174.8	-64.3	178.7	177.3	174.2	0	110.1	E216 R217 F221 P222	E216-K219 WeakPolarHBondContact O-CB 3.49Å; E216-K219 WeakPolarHBondContact O-CG 3.49Å; E216-K219 PolarHBondContact O-N 2.5Å; E216-K219 VanDerWaalsContact O-N 3.17Å; E216-K219 IonicContact OE1-NZ 3.14Å; E216-K219 WeakPolarHBondContact OE2-CD 3.39Å; E216-K219 WeakPolarHBondContact OE2-CE 3.29Å; E216-K219 IonicContact OE2-NZ 2.69Å; E216-K219 PolarHBondContact OE2-NZ 2.98Å; R217-K219 VanDerWaalsContact C-N 3.29Å; K219-F221 PolarHBondContact O-N 2.86Å; K219-P222 WeakPolarHBondContact O-CD 3.18Å
220	E	86.1	Confident	93.2	Very high	203 Å²	203	64.7 Å²	64.7	95%	0.949	32%	0.32	S	S	*	.	S	Bend	trans	-56.7	-36.9	171.4	-175.1	178	-175.6	0	0	111.4
221	F	87.1	Confident	93.3	Very high	70 Å²	70	69.7 Å²	69.7	31%	0.307	34%	0.344	S	S	.	.	S	Bend	trans	-127.4	79.1	-179.6	-162.3	-121	0	0	0	112.4	I197 K200 K219	I197-F221 HydrophobicContact CB-CE1 4.28Å; I197-F221 HydrophobicContact CB-CE2 4.27Å; I197-F221 HydrophobicContact CB-CZ 3.54Å; I197-F221 HydrophobicContact CG2-CE1 4.46Å; I197-F221 HydrophobicContact CG2-CE2 4.27Å; I197-F221 HydrophobicContact CG2-CZ 3.52Å; I197-F221 WeakPolarHBondContact O-CE2 3.35Å; I197-F221 WeakPolarHBondContact O-CZ 3.34Å; K200-F221 HydrophobicContact CB-CE1 4.4Å; K200-F221 HydrophobicContact CB-CZ 4.15Å; K200-F221 HydrophobicContact CD-CD1 3.92Å; K200-F221 HydrophobicContact CD-CE1 3.4Å; K200-F221 HydrophobicContact CD-CZ 3.94Å; K200-F221 WeakPolarHBondContact CE-O 3.49Å; K200-F221 HydrophobicContact CG-CD1 4.44Å; K200-F221 HydrophobicContact CG-CE1 3.74Å; K200-F221 HydrophobicContact CG-CZ 3.72Å; K200-F221 PolarHBondContact NZ-O 3.48Å; K219-F221 PolarHBondContact O-N 2.86Å
222	P	92.5	Very high	93.2	Very high	16 Å²	16	69.7 Å²	69.7	10%	0.104	34%	0.344	C	S	.	.			trans	-72.3	146.9	-173.2	30.4	-36.1	0	0	0	112.7	K200 E216 K219 Y224	K200-P222 VanDerWaalsContact CE-C 3.4Å; K200-P222 WeakPolarHBondContact CE-O 3.32Å; K200-P222 VanDerWaalsContact CG-O 3.29Å; K200-P222 WeakPolarHBondContact CG-O 3.4Å; E216-P222 VanDerWaalsContact O-CB 3.26Å; E216-P222 WeakPolarHBondContact O-CB 3.48Å; K219-P222 WeakPolarHBondContact O-CD 3.18Å; P222-Y224 HydrophobicContact CB-CE2 4.33Å; P222-Y224 HydrophobicContact CG-CD2 4.47Å; P222-Y224 HydrophobicContact CG-CE1 4.43Å; P222-Y224 HydrophobicContact CG-CE2 3.64Å; P222-Y224 WeakPolarHBondContact CG-OH 3.24Å
223	T	94.2	Very high	93.2	Very high	33 Å²	33	77.9 Å²	77.9	20%	0.202	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	103.6	170.8	-43.2	0	0	0	0	110.3	K200 D202 E216	K200-T223 HydrophobicContact CD-CG2 4.34Å; K200-T223 WeakPolarHBondContact CE-OG1 3.3Å; K200-T223 PolarHBondContact NZ-OG1 3.11Å; K200-T223 VanDerWaalsContact NZ-OG1 3.09Å; D202-T223 HydrophobicContact CB-CG2 3.88Å; E216-T223 WeakPolarHBondContact OE1-CB 3.49Å; E216-T223 PolarHBondContact OE1-N 2.88Å; E216-T223 PolarHBondContact OE1-OG1 3.36Å
224	Y	96.1	Very high	93.2	Very high	39 Å²	39	75.8 Å²	75.8	15%	0.153	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	164.9	175.5	-65.1	-67.6	0	0	0	111.7	K200 Y201 D202 A212 R217 P222 D228	K200-Y224 PolarHBondContact O-N 2.61Å; Y201-Y224 CarbonylContact C-O 3.53Å; Y201-Y224 VanDerWaalsContact CA-O 3.29Å; Y201-Y224 WeakPolarHBondContact CA-O 3.47Å; Y201-Y224 HydrophobicContact CD1-CG 4.42Å; Y201-Y224 HydrophobicContact CE1-CD2 4.34Å; Y201-Y224 HydrophobicContact CE1-CG 4.17Å; D202-Y224 PolarHBondContact N-O 3.01Å; A212-Y224 HydrophobicContact CB-CD1 4.08Å; R217-Y224 HydrophobicContact CG-CE1 4.4Å; P222-Y224 HydrophobicContact CB-CE2 4.33Å; P222-Y224 HydrophobicContact CG-CD2 4.47Å; P222-Y224 HydrophobicContact CG-CE1 4.43Å; P222-Y224 HydrophobicContact CG-CE2 3.64Å; P222-Y224 WeakPolarHBondContact CG-OH 3.24Å; Y224-D228 HydrophobicContact CD1-CB 3.85Å; Y224-D228 HydrophobicContact CG-CB 4.19Å
225	K	96.4	Very high	93.3	Very high	54 Å²	54	71.3 Å²	71.3	24%	0.235	34%	0.341	C	S	.	.			trans	-130.5	-171	-178	-64.5	-178.5	-164.6	153.5	0	111.9	D202 R210 Q211 I227 D228 F229	D202-K225 WeakPolarHBondContact O-CA 3.46Å; R210-K225 VanDerWaalsContact C-CB 3.43Å; R210-K225 HydrophobicContact CB-CB 4.47Å; R210-K225 CarbonylContact O-C 3.53Å; R210-K225 WeakPolarHBondContact O-CB 3.22Å; Q211-K225 PolarHBondContact O-NZ 2.89Å; Q211-K225 VanDerWaalsContact O-NZ 3.12Å; K225-I227 PolarHBondContact O-N 3.49Å; K225-D228 PolarHBondContact N-OD2 2.81Å; K225-D228 PolarHBondContact O-N 2.88Å; K225-F229 PolarHBondContact O-N 2.91Å
226	D	96.2	Very high	93.5	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-55.2	-45.6	-173.6	-49.4	-121.3	0	0	0	113.4	K204 G205 S206 R210 F229 L230 F408	K204-D226 PolarHBondContact N-OD1 3.12Å; K204-D226 PolarHBondContact N-OD2 3.05Å; G205-D226 WeakPolarHBondContact CA-OD1 3.1Å; G205-D226 PolarHBondContact N-OD1 2.91Å; S206-D226 PolarHBondContact N-OD1 3.1Å; S206-D226 WeakPolarHBondContact O-CB 3.22Å; R210-D226 HydrophobicContact CB-CB 3.94Å; R210-D226 IonicContact CZ-OD2 2.95Å; R210-D226 IonicContact NE-OD2 3.75Å; R210-D226 PolarHBondContact NE-OD2 3.37Å; R210-D226 IonicContact NH2-OD2 3.38Å; R210-D226 PolarHBondContact NH2-OD2 2.87Å; R210-D226 PolarHBondContact O-N 3.31Å; D226-F229 WeakPolarHBondContact O-CB 3.43Å; D226-F229 PolarHBondContact O-N 3.09Å; D226-L230 VanDerWaalsContact O-CG 3.28Å; D226-L230 WeakPolarHBondContact O-CG 3.19Å; D226-L230 PolarHBondContact O-N 3.04Å; D226-F408 HydrophobicContact CB-CE2 4.19Å; D226-F408 HydrophobicContact CB-CZ 4.03Å
227	I	96.1	Very high	93.6	Very high	38 Å²	38	65.1 Å²	65.1	20%	0.195	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-46.3	178.5	-67.6	172	0	0	0	110.1	T207 R210 Q211 K225 F229 L230 E231	T207-I227 WeakPolarHBondContact O-CD1 3.31Å; R210-I227 WeakPolarHBondContact O-CB 3.17Å; R210-I227 PolarHBondContact O-N 3.41Å; Q211-I227 HydrophobicContact CB-CB 4.05Å; Q211-I227 HydrophobicContact CB-CD1 4.14Å; Q211-I227 HydrophobicContact CB-CG2 4.29Å; Q211-I227 HydrophobicContact CG-CB 4.21Å; Q211-I227 HydrophobicContact CG-CG2 4.04Å; K225-I227 PolarHBondContact O-N 3.49Å; I227-F229 VanDerWaalsContact C-N 3.28Å; I227-F229 PolarHBondContact O-N 2.95Å; I227-L230 PolarHBondContact O-N 3.46Å; I227-L230 VanDerWaalsContact O-N 3.15Å; I227-E231 HydrophobicContact CG2-CG 3.99Å; I227-E231 WeakPolarHBondContact CG2-OE1 3.3Å; I227-E231 WeakPolarHBondContact O-CB 3.13Å; I227-E231 WeakPolarHBondContact O-CG 3.45Å; I227-E231 PolarHBondContact O-N 2.93Å
228	D	96.7	Very high	93.7	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.027	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-41.7	179	-52.1	-70.2	0	0	0	110.8	Q211 A212 Y224 K225 L230 E231 E232	Q211-D228 WeakPolarHBondContact CA-OD2 3.37Å; Q211-D228 WeakPolarHBondContact CG-OD1 3.46Å; A212-D228 PolarHBondContact N-OD2 3.34Å; Y224-D228 HydrophobicContact CD1-CB 3.85Å; Y224-D228 HydrophobicContact CG-CB 4.19Å; K225-D228 PolarHBondContact N-OD2 2.81Å; K225-D228 PolarHBondContact O-N 2.88Å; D228-L230 VanDerWaalsContact C-N 3.34Å; D228-L230 PolarHBondContact O-N 2.88Å; D228-E231 PolarHBondContact O-N 2.95Å; D228-E232 WeakPolarHBondContact O-CB 3.07Å; D228-E232 WeakPolarHBondContact O-CG 3.37Å; D228-E232 PolarHBondContact O-N 2.91Å
229	F	96.3	Very high	93.6	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-42.5	176.6	-171.6	-82.2	0	0	0	112.1	Y201 L203 K225 D226 I227 K233 C234 L236 F408 A412	Y201-F229 HydrophobicContact CD1-CB 3.81Å; Y201-F229 AromaticContact CD1-CD2 3.73Å; Y201-F229 HydrophobicContact CD1-CD2 3.73Å; Y201-F229 HydrophobicContact CD1-CG 4.28Å; Y201-F229 HydrophobicContact CD2-CD2 4.03Å; Y201-F229 HydrophobicContact CD2-CE2 4.49Å; Y201-F229 HydrophobicContact CE1-CB 4.01Å; Y201-F229 AromaticContact CE1-CD2 3.96Å; Y201-F229 HydrophobicContact CE1-CD2 3.96Å; Y201-F229 HydrophobicContact CE1-CG 4.44Å; Y201-F229 HydrophobicContact CE2-CD2 4.24Å; Y201-F229 AromaticContact CG-CD2 3.79Å; Y201-F229 HydrophobicContact CG-CD2 3.79Å; L203-F229 HydrophobicContact CD1-CD2 4.26Å; L203-F229 HydrophobicContact CD1-CE2 4.38Å; L203-F229 HydrophobicContact CD2-CB 3.95Å; L203-F229 HydrophobicContact CD2-CD2 4.21Å; L203-F229 HydrophobicContact CD2-CG 4.14Å; K225-F229 PolarHBondContact O-N 2.91Å; D226-F229 WeakPolarHBondContact O-CB 3.43Å; D226-F229 PolarHBondContact O-N 3.09Å; I227-F229 VanDerWaalsContact C-N 3.28Å; I227-F229 PolarHBondContact O-N 2.95Å; F229-K233 PolarHBondContact O-N 3.06Å; F229-C234 HydrophobicContact CD1-CB 4.09Å; F229-C234 HydrophobicContact CD2-CB 3.76Å; F229-C234 HydrophobicContact CE1-CB 3.95Å; F229-C234 WeakPolarHBondContact CE1-O 3.43Å; F229-C234 HydrophobicContact CE2-CB 3.63Å; F229-C234 WeakPolarHBondContact CE2-SG 3.27Å; F229-C234 HydrophobicContact CG-CB 3.99Å; F229-C234 HydrophobicContact CZ-CB 3.72Å; F229-C234 WeakPolarHBondContact O-CB 3.2Å; F229-C234 PolarHBondContact O-N 3.4Å; F229-L236 HydrophobicContact CZ-CG 4.47Å; F229-F408 HydrophobicContact CD1-CZ 4.34Å; F229-A412 HydrophobicContact CE1-CB 3.57Å; F229-A412 HydrophobicContact CZ-CB 3.82Å
230	L	94.6	Very high	93.7	Very high	94 Å²	94	64 Å²	64	49%	0.492	30%	0.302	S	S	.	.	H	α-helix	trans	-71.9	-44.2	178.8	-68.2	173.5	0	0	0	112.4	D226 I227 D228 K233 F408	D226-L230 VanDerWaalsContact O-CG 3.28Å; D226-L230 WeakPolarHBondContact O-CG 3.19Å; D226-L230 PolarHBondContact O-N 3.04Å; I227-L230 PolarHBondContact O-N 3.46Å; I227-L230 VanDerWaalsContact O-N 3.15Å; D228-L230 VanDerWaalsContact C-N 3.34Å; D228-L230 PolarHBondContact O-N 2.88Å; L230-K233 WeakPolarHBondContact O-CA 3.31Å; L230-K233 PolarHBondContact O-N 2.87Å; L230-F408 HydrophobicContact CD1-CE2 4.13Å; L230-F408 HydrophobicContact CD2-CE2 4.13Å; L230-F408 HydrophobicContact CD2-CZ 4.48Å; L230-F408 HydrophobicContact CG-CE2 4.15Å; L230-F408 HydrophobicContact CG-CZ 4.44Å
231	E	94.5	Very high	94	Very high	124 Å²	124	62.8 Å²	62.8	58%	0.579	29%	0.288	S	S	*	.	H	α-helix	trans	-64.2	-40.5	179.5	-75	-179.9	170.1	0	0	111.7	Q211 I227 D228 K233	Q211-E231 PolarHBondContact NE2-OE2 2.84Å; Q211-E231 VanDerWaalsContact NE2-OE2 3.11Å; I227-E231 HydrophobicContact CG2-CG 3.99Å; I227-E231 WeakPolarHBondContact CG2-OE1 3.3Å; I227-E231 WeakPolarHBondContact O-CB 3.13Å; I227-E231 WeakPolarHBondContact O-CG 3.45Å; I227-E231 PolarHBondContact O-N 2.93Å; D228-E231 PolarHBondContact O-N 2.95Å; E231-K233 PolarHBondContact O-N 3.02Å
232	E	93.6	Very high	94.2	Very high	78 Å²	78	59.9 Å²	59.9	36%	0.364	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-2.4	173.7	-69.5	-172	-176.6	0	0	113.3	K199 Y201 D228 C234	K199-E232 IonicContact NZ-OE1 3.38Å; K199-E232 IonicContact NZ-OE2 2.89Å; K199-E232 PolarHBondContact NZ-OE2 3.26Å; Y201-E232 PolarHBondContact OH-OE2 2.96Å; D228-E232 WeakPolarHBondContact O-CB 3.07Å; D228-E232 WeakPolarHBondContact O-CG 3.37Å; D228-E232 PolarHBondContact O-N 2.91Å; E232-C234 PolarHBondContact O-N 2.85Å
233	K	92.3	Very high	94.3	Very high	180 Å²	180	62.3 Å²	62.3	78%	0.783	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	37.4	-174.7	-59.6	179.5	-179.9	176.7	0	112.2	F229 L230 E231	F229-K233 PolarHBondContact O-N 3.06Å; L230-K233 WeakPolarHBondContact O-CA 3.31Å; L230-K233 PolarHBondContact O-N 2.87Å; E231-K233 PolarHBondContact O-N 3.02Å
234	C	93	Very high	94.3	Very high	23 Å²	23	65.6 Å²	65.6	16%	0.155	30%	0.297	C	S	.	.			trans	-65.2	141.7	-178.4	-166.8	0	0	0	0	110.5	F229 E232	F229-C234 HydrophobicContact CD1-CB 4.09Å; F229-C234 HydrophobicContact CD2-CB 3.76Å; F229-C234 HydrophobicContact CE1-CB 3.95Å; F229-C234 WeakPolarHBondContact CE1-O 3.43Å; F229-C234 HydrophobicContact CE2-CB 3.63Å; F229-C234 WeakPolarHBondContact CE2-SG 3.27Å; F229-C234 HydrophobicContact CG-CB 3.99Å; F229-C234 HydrophobicContact CZ-CB 3.72Å; F229-C234 WeakPolarHBondContact O-CB 3.2Å; F229-C234 PolarHBondContact O-N 3.4Å; E232-C234 PolarHBondContact O-N 2.85Å
235	K	94.7	Very high	94.2	Very high	80 Å²	80	65 Å²	65	35%	0.348	30%	0.295	S	S	.	.			trans	-136.8	143	175.8	-69.5	-66.4	-177.7	168.1	0	109.9	Y237 R411 A412 D414	K235-Y237 HydrophobicContact CB-CE2 4.01Å; K235-Y237 WeakPolarHBondContact O-CD2 3.37Å; K235-R411 PolarHBondContact NZ-O 3.12Å; K235-A412 WeakPolarHBondContact CA-O 3.43Å; K235-A412 WeakPolarHBondContact CD-O 3.48Å; K235-D414 HydrophobicContact CB-CB 4.4Å
236	L	95.5	Very high	94.2	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.01	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-94.4	113	172.8	-53.2	179	0	0	0	109	F229 L238 V269 Y361 I363 A412 L413 D414	F229-L236 HydrophobicContact CZ-CG 4.47Å; L236-L238 HydrophobicContact CB-CG 4.29Å; L236-L238 PolarHBondContact O-N 2.83Å; L236-V269 HydrophobicContact CD2-CG1 4.1Å; L236-Y361 HydrophobicContact CD2-CD1 3.66Å; L236-Y361 HydrophobicContact CD2-CE1 3.67Å; L236-Y361 HydrophobicContact CD2-CG 4.32Å; L236-I363 HydrophobicContact CD1-CD1 4.09Å; L236-A412 PolarHBondContact N-O 3.03Å; L236-L413 HydrophobicContact CB-CD2 3.75Å; L236-L413 HydrophobicContact CD1-CD2 4.01Å; L236-L413 HydrophobicContact CG-CD2 4.39Å; L236-D414 PolarHBondContact O-N 3.05Å
237	Y	95.3	Very high	94.2	Very high	53 Å²	53	63.9 Å²	63.9	21%	0.208	29%	0.291	C	S	.	.			trans	-88.4	78.8	-178.3	-63.4	-84.7	0	0	0	110.4	K235 A351 R352 A355 P356 Y361 D414	K235-Y237 HydrophobicContact CB-CE2 4.01Å; K235-Y237 WeakPolarHBondContact O-CD2 3.37Å; Y237-A351 CarbonylContact O-C 3.55Å; Y237-A351 WeakPolarHBondContact O-CA 3.31Å; Y237-A351 WeakPolarHBondContact O-CB 3.42Å; Y237-R352 PolarHBondContact O-N 3.16Å; Y237-A355 HydrophobicContact CD1-CB 4.45Å; Y237-A355 HydrophobicContact CD2-CB 4.3Å; Y237-A355 HydrophobicContact CG-CB 3.86Å; Y237-P356 HydrophobicContact CE1-CG 4.12Å; Y237-P356 HydrophobicContact CE2-CG 4.06Å; Y237-Y361 PolarHBondContact N-OH 3.25Å; Y237-Y361 VanDerWaalsContact N-OH 3.16Å; Y237-D414 HydrophobicContact CD1-CB 3.65Å; Y237-D414 HydrophobicContact CE1-CB 3.86Å; Y237-D414 HydrophobicContact CG-CB 4.39Å
238	L	93.4	Very high	94.3	Very high	11 Å²	11	67.2 Å²	67.2	6%	0.058	31%	0.305	C	S	.	.			trans	-98	149.8	-179	-56	-174.2	0	0	0	111.6	L236 R243 L246 V349 Y361 L413	L236-L238 HydrophobicContact CB-CG 4.29Å; L236-L238 PolarHBondContact O-N 2.83Å; L238-R243 HydrophobicContact CB-CB 4.3Å; L238-L246 HydrophobicContact CD1-CB 4.44Å; L238-L246 HydrophobicContact CD1-CD2 3.65Å; L238-V349 HydrophobicContact CD2-CB 4.47Å; L238-V349 HydrophobicContact CD2-CG1 3.79Å; L238-V349 HydrophobicContact CD2-CG2 3.85Å; L238-Y361 HydrophobicContact CD2-CD2 3.47Å; L238-Y361 VanDerWaalsContact CD2-CD2 3.47Å; L238-Y361 HydrophobicContact CD2-CE2 3.73Å; L238-Y361 HydrophobicContact CD2-CG 4.49Å; L238-L413 HydrophobicContact CD1-CD2 3.84Å; L238-L413 HydrophobicContact CG-CD2 4.31Å
239	S	91.9	Very high	94.3	Very high	44 Å²	44	67.6 Å²	67.6	31%	0.308	31%	0.307	S	S	.	.			trans	-60.2	155.7	168.8	80.7	0	0	0	0	110.7	R241 S242 R243	S239-R241 PolarHBondContact O-N 2.74Å; S239-R241 VanDerWaalsContact O-N 3.17Å; S239-S242 PolarHBondContact O-N 3.15Å; S239-S242 VanDerWaalsContact O-N 3.08Å; S239-S242 WeakPolarHBondContact OG-CB 3.39Å; S239-S242 PolarHBondContact OG-N 2.81Å; S239-S242 PolarHBondContact OG-OG 2.81Å; S239-R243 WeakPolarHBondContact O-CB 3.5Å; S239-R243 PolarHBondContact O-N 2.92Å
240	K	91.9	Very high	94.4	Very high	195 Å²	195	67.5 Å²	67.5	85%	0.848	31%	0.307	S	S	*	.	H	α-helix	trans	-51.6	-41.8	176.5	-173.7	177.1	-179	175.1	0	112.2	Q244	K240-Q244 WeakPolarHBondContact O-CB 3.38Å; K240-Q244 PolarHBondContact O-N 3.17Å
241	R	91.4	Very high	94.5	Very high	177 Å²	177	65.2 Å²	65.2	67%	0.668	30%	0.297	S	S	*	.	H	α-helix	trans	-66	-47.8	177.3	-178.1	177.2	177.9	147.4	-1.6	112.1	S239 Q244 R245	S239-R241 PolarHBondContact O-N 2.74Å; S239-R241 VanDerWaalsContact O-N 3.17Å; R241-Q244 PolarHBondContact O-N 3.48Å; R241-R245 WeakPolarHBondContact O-CB 3.46Å; R241-R245 PolarHBondContact O-N 3.27Å
242	S	92.5	Very high	94.7	Very high	9 Å²	9	61 Å²	61	6%	0.063	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-38.8	179.8	-57.4	0	0	0	0	112	S239 R245 L246	S239-S242 PolarHBondContact O-N 3.15Å; S239-S242 VanDerWaalsContact O-N 3.08Å; S239-S242 WeakPolarHBondContact OG-CB 3.39Å; S239-S242 PolarHBondContact OG-N 2.81Å; S239-S242 PolarHBondContact OG-OG 2.81Å; S242-R245 PolarHBondContact O-N 2.85Å; S242-L246 WeakPolarHBondContact O-CB 3.35Å; S242-L246 PolarHBondContact O-N 2.86Å
243	R	93.9	Very high	94.9	Very high	67 Å²	67	57.2 Å²	57.2	25%	0.253	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-52.8	172.8	161.3	163.9	-173.4	-171.9	6.3	111.2	L238 S239 R245 L246 I247 L413 D414 N415	L238-R243 HydrophobicContact CB-CB 4.3Å; S239-R243 WeakPolarHBondContact O-CB 3.5Å; S239-R243 PolarHBondContact O-N 2.92Å; R243-R245 VanDerWaalsContact C-N 3.3Å; R243-R245 PolarHBondContact O-N 3.22Å; R243-L246 PolarHBondContact O-N 2.88Å; R243-I247 WeakPolarHBondContact O-CG1 3.5Å; R243-I247 PolarHBondContact O-N 2.79Å; R243-I247 VanDerWaalsContact O-N 3.08Å; R243-L413 HydrophobicContact CB-CD1 4.15Å; R243-L413 HydrophobicContact CG-CD1 3.56Å; R243-D414 PolarHBondContact NH1-O 3.49Å; R243-N415 PolarHBondContact NH1-OD1 2.91Å; R243-N415 VanDerWaalsContact NH1-OD1 3.1Å; R243-N415 PolarHBondContact NH2-OD1 3.36Å; R243-N415 VanDerWaalsContact NH2-OD1 3.12Å
244	Q	94	Very high	95.2	Very high	103 Å²	103	48.7 Å²	48.7	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-57.9	-47.1	179.7	-176.3	59.4	34.7	0	0	110.7	K240 R241 L246 I247 E248	K240-Q244 WeakPolarHBondContact O-CB 3.38Å; K240-Q244 PolarHBondContact O-N 3.17Å; R241-Q244 PolarHBondContact O-N 3.48Å; Q244-L246 PolarHBondContact O-N 3.23Å; Q244-I247 PolarHBondContact O-N 3.23Å; Q244-E248 VanDerWaalsContact CG-OE1 3.29Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.37Å; Q244-E248 PolarHBondContact NE2-OE1 2.61Å; Q244-E248 WeakPolarHBondContact O-CB 3.33Å; Q244-E248 WeakPolarHBondContact O-CG 3.44Å; Q244-E248 PolarHBondContact O-N 3.23Å
245	R	93.9	Very high	95.5	Very high	27 Å²	27	52.2 Å²	52.2	10%	0.102	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-40.1	179.4	-168.8	164.2	178.8	177.8	-5	113	R241 S242 R243 E248 M249 A330 F331 A332	R241-R245 WeakPolarHBondContact O-CB 3.46Å; R241-R245 PolarHBondContact O-N 3.27Å; S242-R245 PolarHBondContact O-N 2.85Å; R243-R245 VanDerWaalsContact C-N 3.3Å; R243-R245 PolarHBondContact O-N 3.22Å; R245-E248 PolarHBondContact O-N 3.43Å; R245-M249 HydrophobicContact CG-CE 4.04Å; R245-M249 HydrophobicContact CG-SD 4.3Å; R245-M249 WeakPolarHBondContact O-CB 3.21Å; R245-M249 WeakPolarHBondContact O-CG 3.18Å; R245-M249 PolarHBondContact O-N 3.49Å; R245-A330 PolarHBondContact NE-O 2.91Å; R245-A330 PolarHBondContact NH2-O 2.9Å; R245-F331 PolarHBondContact NH1-O 2.95Å; R245-F331 VanDerWaalsContact NH1-O 3.12Å; R245-A332 PolarHBondContact NH1-O 3.07Å
246	L	96.3	Very high	95.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-47.4	175.6	177.4	64.8	0	0	0	111.2	L165 L238 S242 R243 Q244 L250 F331 I363 V409 L413	L165-L246 HydrophobicContact CD1-CD1 3.82Å; L165-L246 HydrophobicContact CD2-CD1 4.39Å; L238-L246 HydrophobicContact CD1-CB 4.44Å; L238-L246 HydrophobicContact CD1-CD2 3.65Å; S242-L246 WeakPolarHBondContact O-CB 3.35Å; S242-L246 PolarHBondContact O-N 2.86Å; R243-L246 PolarHBondContact O-N 2.88Å; Q244-L246 PolarHBondContact O-N 3.23Å; L246-L250 WeakPolarHBondContact O-CB 3.49Å; L246-L250 PolarHBondContact O-N 3.48Å; L246-F331 HydrophobicContact CB-CE1 4.03Å; L246-F331 HydrophobicContact CD1-CE1 4.24Å; L246-F331 HydrophobicContact CD1-CZ 3.96Å; L246-I363 HydrophobicContact CD1-CD1 4.36Å; L246-I363 HydrophobicContact CD1-CG2 3.85Å; L246-I363 HydrophobicContact CD2-CD1 4.08Å; L246-V409 HydrophobicContact CD2-CG1 4.18Å; L246-L413 HydrophobicContact CD2-CD2 4.01Å
247	I	97.1	Very high	95.8	Very high	30 Å²	30	49.4 Å²	49.4	15%	0.154	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-41.4	-179.3	-63.8	-55.5	0	0	0	111.1	R243 Q244 T251 V409 T410 L413	R243-I247 WeakPolarHBondContact O-CG1 3.5Å; R243-I247 PolarHBondContact O-N 2.79Å; R243-I247 VanDerWaalsContact O-N 3.08Å; Q244-I247 PolarHBondContact O-N 3.23Å; I247-T251 VanDerWaalsContact O-CB 3.28Å; I247-T251 WeakPolarHBondContact O-CB 3.28Å; I247-T251 PolarHBondContact O-N 3.4Å; I247-T251 PolarHBondContact O-OG1 3.39Å; I247-V409 HydrophobicContact CD1-CG1 4.32Å; I247-T410 WeakPolarHBondContact CD1-OG1 3.42Å; I247-L413 HydrophobicContact CD1-CD1 3.97Å; I247-L413 HydrophobicContact CG1-CD1 4.06Å
248	E	96.6	Very high	95.9	Very high	108 Å²	108	47 Å²	47	51%	0.505	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-50.8	175.9	-75.6	170.2	-177.1	0	0	112.1	Q244 R245 T251 S252	Q244-E248 VanDerWaalsContact CG-OE1 3.29Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.37Å; Q244-E248 PolarHBondContact NE2-OE1 2.61Å; Q244-E248 WeakPolarHBondContact O-CB 3.33Å; Q244-E248 WeakPolarHBondContact O-CG 3.44Å; Q244-E248 PolarHBondContact O-N 3.23Å; R245-E248 PolarHBondContact O-N 3.43Å; E248-T251 PolarHBondContact O-N 3.49Å; E248-S252 WeakPolarHBondContact O-CB 3.28Å; E248-S252 PolarHBondContact O-N 3.18Å
249	M	97.2	Very high	96	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.059	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-49.5	178	-69.4	-175.8	-55.1	0	0	110.9	R163 L165 R245 T251 S252 D253 A330 F331	R163-M249 HydrophobicContact CB-SD 4.41Å; L165-M249 HydrophobicContact CD1-CB 4.28Å; L165-M249 HydrophobicContact CD2-CE 3.97Å; L165-M249 HydrophobicContact CG-CB 4.11Å; L165-M249 HydrophobicContact CG-CE 4.38Å; R245-M249 HydrophobicContact CG-CE 4.04Å; R245-M249 HydrophobicContact CG-SD 4.3Å; R245-M249 WeakPolarHBondContact O-CB 3.21Å; R245-M249 WeakPolarHBondContact O-CG 3.18Å; R245-M249 PolarHBondContact O-N 3.49Å; M249-T251 VanDerWaalsContact C-N 3.3Å; M249-T251 PolarHBondContact O-N 2.94Å; M249-S252 PolarHBondContact O-N 3.4Å; M249-D253 VanDerWaalsContact O-CB 3.32Å; M249-D253 WeakPolarHBondContact O-CB 3.33Å; M249-D253 PolarHBondContact O-N 3.41Å; M249-A330 HydrophobicContact CE-CB 4.16Å; M249-A330 HydrophobicContact SD-CB 4.12Å; M249-F331 HydrophobicContact CE-CD1 3.91Å; M249-F331 HydrophobicContact CE-CE1 3.36Å; M249-F331 HydrophobicContact CE-CE2 4.2Å; M249-F331 HydrophobicContact CE-CZ 3.53Å
250	L	98.2	Very high	96.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-40.1	-179.9	-176.5	65	0	0	0	112.2	L165 L246 T254 L267 L365 L405 V406 V409	L165-L250 HydrophobicContact CD1-CB 3.94Å; L165-L250 HydrophobicContact CD1-CD1 4.19Å; L246-L250 WeakPolarHBondContact O-CB 3.49Å; L246-L250 PolarHBondContact O-N 3.48Å; L250-T254 HydrophobicContact CD1-CG2 3.88Å; L250-T254 HydrophobicContact CG-CG2 4.32Å; L250-T254 WeakPolarHBondContact O-CB 3.43Å; L250-T254 WeakPolarHBondContact O-CG2 3.16Å; L250-T254 PolarHBondContact O-N 3.05Å; L250-T254 PolarHBondContact O-OG1 3.35Å; L250-L267 HydrophobicContact CD1-CD1 4.16Å; L250-L365 HydrophobicContact CD1-CD1 4.32Å; L250-L365 HydrophobicContact CD1-CD2 4.07Å; L250-L365 HydrophobicContact CD1-CG 4.39Å; L250-L405 HydrophobicContact CD1-CD2 4.31Å; L250-V406 HydrophobicContact CD2-CG2 4.25Å; L250-V406 HydrophobicContact CG-CG2 4.07Å; L250-V409 HydrophobicContact CD2-CB 3.72Å; L250-V409 HydrophobicContact CD2-CG1 3.87Å; L250-V409 HydrophobicContact CD2-CG2 3.72Å
251	T	98.2	Very high	96.4	Very high	47 Å²	47	42.5 Å²	42.5	29%	0.288	21%	0.21	S	C	.	.	H	α-helix	trans	-64.4	-51.6	177.3	-55.5	0	0	0	0	110.3	I247 E248 M249 D253 T254 D255	I247-T251 VanDerWaalsContact O-CB 3.28Å; I247-T251 WeakPolarHBondContact O-CB 3.28Å; I247-T251 PolarHBondContact O-N 3.4Å; I247-T251 PolarHBondContact O-OG1 3.39Å; E248-T251 PolarHBondContact O-N 3.49Å; M249-T251 VanDerWaalsContact C-N 3.3Å; M249-T251 PolarHBondContact O-N 2.94Å; T251-D253 VanDerWaalsContact C-N 3.34Å; T251-D253 PolarHBondContact O-N 3.43Å; T251-T254 PolarHBondContact O-N 2.81Å; T251-T254 PolarHBondContact O-OG1 3.13Å; T251-D255 WeakPolarHBondContact O-CB 3.37Å; T251-D255 VanDerWaalsContact O-CG 3.32Å; T251-D255 PolarHBondContact O-N 3.48Å
252	S	98.1	Very high	96.6	Very high	34 Å²	34	34.1 Å²	34.1	24%	0.238	18%	0.179	C	C	.	.	H	α-helix	trans	-57.6	-45.4	178	-173.7	0	0	0	0	112.2	Y156 Q160 E248 M249 F256	Y156-S252 WeakPolarHBondContact OH-CB 3.33Å; Y156-S252 PolarHBondContact OH-O 2.88Å; Y156-S252 PolarHBondContact OH-OG 2.73Å; Q160-S252 PolarHBondContact NE2-OG 3.37Å; Q160-S252 VanDerWaalsContact NE2-OG 3.14Å; E248-S252 WeakPolarHBondContact O-CB 3.28Å; E248-S252 PolarHBondContact O-N 3.18Å; M249-S252 PolarHBondContact O-N 3.4Å; S252-F256 WeakPolarHBondContact O-CB 3.37Å; S252-F256 PolarHBondContact O-N 2.95Å
253	D	98.5	Very high	96.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.3	-43.8	-178.3	-69.1	-32.8	0	0	0	111.2	Y156 T164 L165 L166 M249 T251 F256 L257 L365	Y156-D253 WeakPolarHBondContact CE1-OD1 3.28Å; Y156-D253 WeakPolarHBondContact OH-CA 3.27Å; Y156-D253 PolarHBondContact OH-N 3.13Å; Y156-D253 VanDerWaalsContact OH-N 3.12Å; Y156-D253 PolarHBondContact OH-OD1 3.07Å; T164-D253 WeakPolarHBondContact CB-OD1 3.27Å; T164-D253 VanDerWaalsContact OG1-CG 3.31Å; T164-D253 PolarHBondContact OG1-OD1 2.93Å; T164-D253 PolarHBondContact OG1-OD2 2.95Å; L165-D253 WeakPolarHBondContact CA-OD2 3.45Å; L165-D253 WeakPolarHBondContact CB-OD2 3.21Å; L165-D253 PolarHBondContact N-OD2 3.38Å; L166-D253 HydrophobicContact CD2-CB 4.12Å; L166-D253 HydrophobicContact CG-CB 4.11Å; M249-D253 VanDerWaalsContact O-CB 3.32Å; M249-D253 WeakPolarHBondContact O-CB 3.33Å; M249-D253 PolarHBondContact O-N 3.41Å; T251-D253 VanDerWaalsContact C-N 3.34Å; T251-D253 PolarHBondContact O-N 3.43Å; D253-F256 WeakPolarHBondContact O-CB 3.24Å; D253-F256 PolarHBondContact O-N 2.65Å; D253-L257 VanDerWaalsContact O-CG 3.29Å; D253-L257 WeakPolarHBondContact O-CG 3.48Å; D253-L257 PolarHBondContact O-N 3.19Å; D253-L365 HydrophobicContact CB-CD1 3.65Å
254	T	98.2	Very high	96.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-74.2	-31.9	-178.6	57.3	0	0	0	0	112.7	L250 T251 L257 A258 Y265 L405	L250-T254 HydrophobicContact CD1-CG2 3.88Å; L250-T254 HydrophobicContact CG-CG2 4.32Å; L250-T254 WeakPolarHBondContact O-CB 3.43Å; L250-T254 WeakPolarHBondContact O-CG2 3.16Å; L250-T254 PolarHBondContact O-N 3.05Å; L250-T254 PolarHBondContact O-OG1 3.35Å; T251-T254 PolarHBondContact O-N 2.81Å; T251-T254 PolarHBondContact O-OG1 3.13Å; T254-L257 PolarHBondContact O-N 2.99Å; T254-A258 VanDerWaalsContact O-CB 3.26Å; T254-A258 WeakPolarHBondContact O-CB 3.37Å; T254-A258 PolarHBondContact O-N 3.37Å; T254-Y265 HydrophobicContact CG2-CE2 3.73Å; T254-L405 HydrophobicContact CG2-CD2 4.15Å
255	D	98.1	Very high	96.5	Very high	97 Å²	97	26.2 Å²	26.2	52%	0.519	14%	0.144	S	C	.	.	H	α-helix	trans	-65.5	-43	170.1	-76.9	-19.7	0	0	0	111.2	T251 A258 S259	T251-D255 WeakPolarHBondContact O-CB 3.37Å; T251-D255 VanDerWaalsContact O-CG 3.32Å; T251-D255 PolarHBondContact O-N 3.48Å; D255-A258 PolarHBondContact O-N 3.19Å; D255-S259 WeakPolarHBondContact O-CB 3.27Å; D255-S259 PolarHBondContact O-N 3.35Å
256	F	98.3	Very high	96.6	Very high	22 Å²	22	25 Å²	25	10%	0.096	14%	0.139	C	C	.	.	H	α-helix	trans	-58	-51.3	172.6	170.4	-105	0	0	0	111.3	K152 Y153 Y156 L166 S252 D253 A258 S259 L260	K152-F256 HydrophobicContact CB-CE2 4.18Å; K152-F256 HydrophobicContact CB-CZ 4.4Å; Y153-F256 HydrophobicContact CD2-CE1 4.5Å; Y156-F256 HydrophobicContact CD1-CD1 4.07Å; Y156-F256 HydrophobicContact CD1-CD2 4.48Å; Y156-F256 HydrophobicContact CD1-CE1 4.3Å; Y156-F256 HydrophobicContact CD1-CG 4.16Å; Y156-F256 HydrophobicContact CD2-CB 3.87Å; Y156-F256 HydrophobicContact CD2-CD1 4.39Å; Y156-F256 AromaticContact CD2-CD2 3.52Å; Y156-F256 HydrophobicContact CD2-CD2 3.52Å; Y156-F256 HydrophobicContact CD2-CE2 4.15Å; Y156-F256 AromaticContact CD2-CG 3.66Å; Y156-F256 HydrophobicContact CD2-CG 3.66Å; Y156-F256 HydrophobicContact CE1-CB 4.45Å; Y156-F256 HydrophobicContact CE1-CD1 4.32Å; Y156-F256 HydrophobicContact CE1-CG 4.35Å; Y156-F256 HydrophobicContact CE2-CB 3.58Å; Y156-F256 HydrophobicContact CE2-CD2 4.16Å; Y156-F256 AromaticContact CE2-CG 3.88Å; Y156-F256 HydrophobicContact CE2-CG 3.88Å; Y156-F256 HydrophobicContact CG-CB 4.42Å; Y156-F256 HydrophobicContact CG-CD1 4.11Å; Y156-F256 AromaticContact CG-CD2 3.71Å; Y156-F256 HydrophobicContact CG-CD2 3.71Å; Y156-F256 HydrophobicContact CG-CE1 4.3Å; Y156-F256 AromaticContact CG-CE2 3.92Å; Y156-F256 HydrophobicContact CG-CE2 3.92Å; Y156-F256 AromaticContact CG-CG 3.81Å; Y156-F256 HydrophobicContact CG-CG 3.81Å; Y156-F256 HydrophobicContact CG-CZ 4.21Å; L166-F256 HydrophobicContact CD1-CD1 3.72Å; L166-F256 HydrophobicContact CD1-CE1 3.94Å; S252-F256 WeakPolarHBondContact O-CB 3.37Å; S252-F256 PolarHBondContact O-N 2.95Å; D253-F256 WeakPolarHBondContact O-CB 3.24Å; D253-F256 PolarHBondContact O-N 2.65Å; F256-A258 VanDerWaalsContact C-N 3.32Å; F256-A258 PolarHBondContact O-N 2.99Å; F256-S259 WeakPolarHBondContact O-CB 3.37Å; F256-S259 PolarHBondContact O-N 3.47Å; F256-S259 VanDerWaalsContact O-N 3.16Å; F256-S259 PolarHBondContact O-OG 2.97Å; F256-L260 HydrophobicContact CD1-CD1 4.37Å; F256-L260 HydrophobicContact CE1-CD1 3.7Å; F256-L260 HydrophobicContact CE2-CD1 3.98Å; F256-L260 HydrophobicContact CE2-CG 4.44Å; F256-L260 HydrophobicContact CZ-CD1 3.48Å; F256-L260 VanDerWaalsContact CZ-CD1 3.48Å; F256-L260 HydrophobicContact CZ-CG 4.4Å; F256-L260 WeakPolarHBondContact O-CG 3.38Å; F256-L260 PolarHBondContact O-N 2.63Å
257	L	98.2	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-41.5	176.9	-68.2	175.9	0	0	0	112.1	L166 D253 T254 S259 L260 N261 L262 Y265 L365 I368	L166-L257 HydrophobicContact CD2-CD1 3.69Å; L166-L257 HydrophobicContact CD2-CD2 3.94Å; L166-L257 HydrophobicContact CD2-CG 3.85Å; D253-L257 VanDerWaalsContact O-CG 3.29Å; D253-L257 WeakPolarHBondContact O-CG 3.48Å; D253-L257 PolarHBondContact O-N 3.19Å; T254-L257 PolarHBondContact O-N 2.99Å; L257-S259 VanDerWaalsContact C-N 3.32Å; L257-S259 PolarHBondContact O-N 3.3Å; L257-L260 PolarHBondContact O-N 3.1Å; L257-L260 VanDerWaalsContact O-N 3.14Å; L257-N261 PolarHBondContact O-N 2.83Å; L257-L262 HydrophobicContact CB-CB 4.28Å; L257-L262 HydrophobicContact CD2-CB 4.34Å; L257-L262 HydrophobicContact CD2-CD1 3.7Å; L257-L262 WeakPolarHBondContact O-CB 3.12Å; L257-L262 PolarHBondContact O-N 2.95Å; L257-Y265 HydrophobicContact CB-CD1 4.4Å; L257-Y265 HydrophobicContact CB-CE1 3.75Å; L257-Y265 HydrophobicContact CD1-CD1 3.61Å; L257-Y265 HydrophobicContact CD1-CD2 4.12Å; L257-Y265 HydrophobicContact CD1-CE1 3.6Å; L257-Y265 HydrophobicContact CD1-CE2 4.12Å; L257-Y265 HydrophobicContact CD1-CG 3.86Å; L257-Y265 HydrophobicContact CG-CE1 4.31Å; L257-L365 HydrophobicContact CD1-CD1 4.39Å; L257-I368 HydrophobicContact CD1-CB 4.36Å; L257-I368 HydrophobicContact CD1-CG2 3.93Å; L257-I368 HydrophobicContact CD2-CB 3.94Å; L257-I368 HydrophobicContact CD2-CD1 4.07Å; L257-I368 HydrophobicContact CD2-CG2 4.29Å
258	A	97.2	Very high	96.7	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-64.5	-36.3	177.4	0	0	0	0	0	112.3	T254 D255 F256 L260 N261 P398 Q399 A402	T254-A258 VanDerWaalsContact O-CB 3.26Å; T254-A258 WeakPolarHBondContact O-CB 3.37Å; T254-A258 PolarHBondContact O-N 3.37Å; D255-A258 PolarHBondContact O-N 3.19Å; F256-A258 VanDerWaalsContact C-N 3.32Å; F256-A258 PolarHBondContact O-N 2.99Å; A258-L260 PolarHBondContact O-N 2.89Å; A258-N261 PolarHBondContact O-N 3Å; A258-P398 HydrophobicContact CB-CB 4.07Å; A258-Q399 HydrophobicContact CB-CG 4.36Å; A258-Q399 PolarHBondContact O-NE2 3.4Å; A258-A402 HydrophobicContact CB-CB 4.29Å
259	S	97	Very high	96.8	Very high	78 Å²	78	19.5 Å²	19.5	55%	0.545	11%	0.114	S	C	.	.	H	α-helix	trans	-63.3	-25.2	174.9	84.2	0	0	0	0	113	D255 F256 L257 N261	D255-S259 WeakPolarHBondContact O-CB 3.27Å; D255-S259 PolarHBondContact O-N 3.35Å; F256-S259 WeakPolarHBondContact O-CB 3.37Å; F256-S259 PolarHBondContact O-N 3.47Å; F256-S259 VanDerWaalsContact O-N 3.16Å; F256-S259 PolarHBondContact O-OG 2.97Å; L257-S259 VanDerWaalsContact C-N 3.32Å; L257-S259 PolarHBondContact O-N 3.3Å; S259-N261 VanDerWaalsContact C-N 3.34Å
260	L	96.6	Very high	96.7	Very high	14 Å²	14	18.9 Å²	18.9	7%	0.073	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	2.4	175.5	-59.2	-179.3	0	0	0	113	I149 K152 F256 L257 A258 L262	I149-L260 HydrophobicContact CB-CD1 3.97Å; I149-L260 HydrophobicContact CG2-CD1 3.88Å; K152-L260 HydrophobicContact CB-CD2 4.24Å; K152-L260 HydrophobicContact CD-CD2 3.3Å; K152-L260 HydrophobicContact CG-CD2 4.42Å; F256-L260 HydrophobicContact CD1-CD1 4.37Å; F256-L260 HydrophobicContact CE1-CD1 3.7Å; F256-L260 HydrophobicContact CE2-CD1 3.98Å; F256-L260 HydrophobicContact CE2-CG 4.44Å; F256-L260 HydrophobicContact CZ-CD1 3.48Å; F256-L260 VanDerWaalsContact CZ-CD1 3.48Å; F256-L260 HydrophobicContact CZ-CG 4.4Å; F256-L260 WeakPolarHBondContact O-CG 3.38Å; F256-L260 PolarHBondContact O-N 2.63Å; L257-L260 PolarHBondContact O-N 3.1Å; L257-L260 VanDerWaalsContact O-N 3.14Å; A258-L260 PolarHBondContact O-N 2.89Å; L260-L262 HydrophobicContact CB-CD1 3.85Å; L260-L262 HydrophobicContact CB-CG 3.85Å; L260-L262 HydrophobicContact CD1-CD1 3.89Å; L260-L262 PolarHBondContact O-N 3.13Å
261	N	95.4	Very high	96.6	Very high	64 Å²	64	19.2 Å²	19.2	34%	0.342	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	31.6	-169.7	-62.6	-64.1	0	0	0	113.5	L257 A258 S259 Y371 Y372 P398	L257-N261 PolarHBondContact O-N 2.83Å; A258-N261 PolarHBondContact O-N 3Å; S259-N261 VanDerWaalsContact C-N 3.34Å; N261-Y371 HydrophobicContact CB-CD2 4.33Å; N261-Y371 HydrophobicContact CB-CE2 3.78Å; N261-Y372 VanDerWaalsContact O-CB 3.25Å; N261-Y372 WeakPolarHBondContact O-CB 3.19Å; N261-Y372 PolarHBondContact O-N 3.18Å; N261-P398 HydrophobicContact CB-CG 4.36Å
262	L	95	Very high	96.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.8	174.5	-62.7	171.3	0	0	0	110.6	E145 I149 L257 L260 I368	E145-L262 HydrophobicContact CG-CD2 4.18Å; E145-L262 WeakPolarHBondContact OE1-CD2 3.34Å; I149-L262 HydrophobicContact CD1-CD1 4.22Å; I149-L262 HydrophobicContact CG2-CD1 4.26Å; L257-L262 HydrophobicContact CB-CB 4.28Å; L257-L262 HydrophobicContact CD2-CB 4.34Å; L257-L262 HydrophobicContact CD2-CD1 3.7Å; L257-L262 WeakPolarHBondContact O-CB 3.12Å; L257-L262 PolarHBondContact O-N 2.95Å; L260-L262 HydrophobicContact CB-CD1 3.85Å; L260-L262 HydrophobicContact CB-CG 3.85Å; L260-L262 HydrophobicContact CD1-CD1 3.89Å; L260-L262 PolarHBondContact O-N 3.13Å; L262-I368 WeakPolarHBondContact CD1-O 3.26Å
263	M	92.5	Very high	96.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	-173.8	-177.9	70.6	157.2	-61.7	0	0	112	Y265 T370 Y372 K376 S394 T395 Y401	M263-Y265 PolarHBondContact O-N 2.85Å; M263-T370 HydrophobicContact CG-CG2 4.44Å; M263-T370 PolarHBondContact N-O 3.45Å; M263-T370 WeakPolarHBondContact O-CB 3.35Å; M263-Y372 HydrophobicContact CG-CD2 4.25Å; M263-Y372 HydrophobicContact SD-CD2 3.23Å; M263-Y372 WeakPolarHBondContact SD-CD2 3.46Å; M263-Y372 HydrophobicContact SD-CE2 3.88Å; M263-Y372 HydrophobicContact SD-CG 4.05Å; M263-K376 HydrophobicContact SD-CB 4.31Å; M263-K376 HydrophobicContact SD-CD 4.45Å; M263-K376 HydrophobicContact SD-CG 4.38Å; M263-S394 VanDerWaalsContact CE-O 3.28Å; M263-S394 WeakPolarHBondContact CE-O 3.42Å; M263-T395 HydrophobicContact CE-CG2 4.15Å; M263-Y401 HydrophobicContact CE-CD2 4Å; M263-Y401 HydrophobicContact CE-CE2 4.28Å
264	D	90.6	Very high	95.4	Very high	14 Å²	14	21.3 Å²	21.3	8%	0.075	12%	0.117	C	C	.	.			trans	60.2	14	174.8	-88.6	-25.5	0	0	0	114.3	K204 T370 K376 S394 Y401	K204-D264 WeakPolarHBondContact CE-O 3.35Å; K204-D264 PolarHBondContact NZ-O 3.19Å; D264-T370 HydrophobicContact CB-CG2 3.99Å; D264-K376 IonicContact OD2-NZ 3.09Å; D264-K376 PolarHBondContact OD2-NZ 3.33Å; D264-S394 WeakPolarHBondContact OD1-CB 3.22Å; D264-S394 PolarHBondContact OD1-OG 3.39Å; D264-S394 VanDerWaalsContact OD1-OG 3.06Å; D264-Y401 WeakPolarHBondContact CA-OH 3.47Å
265	Y	95.4	Very high	94.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.			trans	-74.6	150.8	171.7	46.1	-98	0	0	0	112.1	T254 L257 M263 L365 I366 Y401 L405	T254-Y265 HydrophobicContact CG2-CE2 3.73Å; L257-Y265 HydrophobicContact CB-CD1 4.4Å; L257-Y265 HydrophobicContact CB-CE1 3.75Å; L257-Y265 HydrophobicContact CD1-CD1 3.61Å; L257-Y265 HydrophobicContact CD1-CD2 4.12Å; L257-Y265 HydrophobicContact CD1-CE1 3.6Å; L257-Y265 HydrophobicContact CD1-CE2 4.12Å; L257-Y265 HydrophobicContact CD1-CG 3.86Å; L257-Y265 HydrophobicContact CG-CE1 4.31Å; M263-Y265 PolarHBondContact O-N 2.85Å; Y265-L365 HydrophobicContact CD2-CD2 4.01Å; Y265-I366 WeakPolarHBondContact CA-O 3.36Å; Y265-I366 WeakPolarHBondContact CB-O 3.48Å; Y265-Y401 HydrophobicContact CD1-CE1 4.26Å; Y265-Y401 HydrophobicContact CD2-CD1 4.35Å; Y265-Y401 AromaticContact CD2-CE1 3.65Å; Y265-Y401 HydrophobicContact CD2-CE1 3.65Å; Y265-Y401 AromaticContact CE1-CD1 4Å; Y265-Y401 HydrophobicContact CE1-CD1 4Å; Y265-Y401 HydrophobicContact CE1-CE1 4.09Å; Y265-Y401 AromaticContact CE2-CD1 3.69Å; Y265-Y401 HydrophobicContact CE2-CD1 3.69Å; Y265-Y401 AromaticContact CE2-CE1 3.41Å; Y265-Y401 HydrophobicContact CE2-CE1 3.41Å; Y265-Y401 VanDerWaalsContact CE2-CE1 3.41Å; Y265-Y401 HydrophobicContact CG-CE1 4.07Å; Y265-Y401 AromaticContact CZ-CD1 3.5Å; Y265-Y401 VanDerWaalsContact CZ-CD1 3.5Å; Y265-Y401 AromaticContact CZ-CE1 3.67Å; Y265-Y401 PolarHBondContact N-OH 2.97Å; Y265-Y401 PolarHBondContact O-OH 3.45Å; Y265-L405 HydrophobicContact CD2-CD2 3.92Å; Y265-L405 HydrophobicContact CE2-CD2 3.66Å
266	S	96.1	Very high	92.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	149.4	177.3	-50.3	0	0	0	0	111	D202 L203 K204 L365 I366	D202-S266 VanDerWaalsContact CG-CB 3.46Å; D202-S266 PolarHBondContact OD1-OG 2.81Å; D202-S266 WeakPolarHBondContact OD2-CB 3.44Å; D202-S266 PolarHBondContact OD2-OG 2.79Å; L203-S266 CarbonylContact O-C 3.49Å; L203-S266 VanDerWaalsContact O-CA 3.31Å; L203-S266 WeakPolarHBondContact O-CA 3.26Å; K204-S266 WeakPolarHBondContact CE-OG 3.28Å; S266-L365 CarbonylContact O-C 3.47Å; S266-L365 WeakPolarHBondContact O-CA 3.05Å; S266-I366 PolarHBondContact N-O 3.31Å; S266-I366 PolarHBondContact O-N 2.91Å
267	L	98	Very high	89.5	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	111.9	157.9	-169.1	73	0	0	0	108.2	L165 L203 L250 V269 I363 L365 L405 V409	L165-L267 HydrophobicContact CD1-CD1 4.36Å; L203-L267 HydrophobicContact CB-CB 4.45Å; L203-L267 PolarHBondContact N-O 2.98Å; L203-L267 PolarHBondContact O-N 2.82Å; L250-L267 HydrophobicContact CD1-CD1 4.16Å; L267-V269 HydrophobicContact CD2-CG2 4.21Å; L267-V269 HydrophobicContact CG-CG2 4.26Å; L267-I363 HydrophobicContact CD1-CG2 3.7Å; L267-I363 HydrophobicContact CD2-CG2 3.89Å; L267-I363 HydrophobicContact CG-CG2 3.91Å; L267-L365 HydrophobicContact CB-CD2 4.39Å; L267-L365 HydrophobicContact CD1-CD2 3.96Å; L267-L365 HydrophobicContact CD1-CG 4.12Å; L267-L405 HydrophobicContact CB-CD1 4.39Å; L267-V409 HydrophobicContact CD2-CG1 4.26Å; L267-V409 HydrophobicContact CD2-CG2 3.53Å
268	L	97.5	Very high	86.9	Confident	22 Å²	22	34 Å²	34	12%	0.115	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125	173.1	-174.8	64.2	0	0	0	108.9	V190 F191 Y201 I363 G364 I366	V190-L268 HydrophobicContact CB-CD2 4.1Å; V190-L268 HydrophobicContact CG1-CD2 4.25Å; V190-L268 HydrophobicContact CG2-CD2 4.37Å; F191-L268 HydrophobicContact CE1-CD1 4.49Å; F191-L268 HydrophobicContact CE1-CD2 3.85Å; F191-L268 HydrophobicContact CE1-CG 3.84Å; F191-L268 HydrophobicContact CE2-CD2 4.11Å; F191-L268 HydrophobicContact CZ-CD1 3.8Å; F191-L268 HydrophobicContact CZ-CD2 3.55Å; F191-L268 HydrophobicContact CZ-CG 3.6Å; Y201-L268 WeakPolarHBondContact O-CA 3.4Å; L268-I363 WeakPolarHBondContact O-CA 3.4Å; L268-G364 WeakPolarHBondContact CB-O 3.37Å; L268-G364 PolarHBondContact N-O 3.41Å; L268-G364 PolarHBondContact O-N 2.89Å; L268-I366 HydrophobicContact CB-CD1 4.04Å; L268-I366 HydrophobicContact CB-CG1 4.19Å; L268-I366 HydrophobicContact CB-CG2 3.97Å; L268-I366 HydrophobicContact CD1-CD1 4.34Å; L268-I366 HydrophobicContact CD2-CD1 4.4Å; L268-I366 HydrophobicContact CD2-CG2 4.08Å
269	V	97.7	Very high	84.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.5	177.4	-179.4	0	0	0	0	108.9	K200 Y201 L203 L236 L267 I271 F362 I363	K200-V269 CarbonylContact C-O 3.47Å; K200-V269 WeakPolarHBondContact CA-O 3.47Å; Y201-V269 PolarHBondContact N-O 3.39Å; Y201-V269 PolarHBondContact O-N 3.14Å; L203-V269 HydrophobicContact CD1-CG2 3.81Å; L236-V269 HydrophobicContact CD2-CG1 4.1Å; L267-V269 HydrophobicContact CD2-CG2 4.21Å; L267-V269 HydrophobicContact CG-CG2 4.26Å; V269-I271 HydrophobicContact CG1-CG1 4.44Å; V269-F362 CarbonylContact C-O 3.57Å; V269-F362 WeakPolarHBondContact CA-O 3.33Å; V269-I363 HydrophobicContact CG1-CG1 4.4Å; V269-I363 HydrophobicContact CG2-CG1 4.45Å; V269-I363 HydrophobicContact CG2-CG2 4.47Å
270	G	96.5	Very high	81.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.4	168.9	0	0	0	0	0	110.6	K199 Y361 F362	K199-G270 CarbonylContact O-C 3.58Å; G270-Y361 CarbonylContact O-C 3.52Å; G270-Y361 VanDerWaalsContact O-CA 3.29Å; G270-Y361 WeakPolarHBondContact O-CA 3.48Å; G270-F362 PolarHBondContact N-O 3.33Å; G270-F362 PolarHBondContact O-N 2.86Å
271	I	95.6	Very high	78.3	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.8	177.9	-48.4	-174.8	0	0	0	108.8	I197 S198 K199 Y201 V269 M359 Y361	I197-I271 WeakPolarHBondContact CG2-O 3.46Å; S198-I271 PolarHBondContact N-O 3.1Å; S198-I271 PolarHBondContact OG-O 2.94Å; K199-I271 HydrophobicContact CB-CB 4.4Å; K199-I271 HydrophobicContact CB-CD1 4.5Å; K199-I271 PolarHBondContact N-O 2.64Å; K199-I271 PolarHBondContact O-N 3.22Å; Y201-I271 HydrophobicContact CD2-CD1 4.4Å; Y201-I271 HydrophobicContact CE2-CD1 3.84Å; V269-I271 HydrophobicContact CG1-CG1 4.44Å; I271-M359 HydrophobicContact CG2-CB 4.46Å; I271-M359 HydrophobicContact CG2-CE 4.46Å; I271-M359 HydrophobicContact CG2-CG 4.25Å; I271-M359 HydrophobicContact CG2-SD 3.98Å; I271-Y361 HydrophobicContact CD1-CE1 4.41Å; I271-Y361 HydrophobicContact CG1-CD1 4.08Å; I271-Y361 HydrophobicContact CG1-CE1 4.41Å; I271-Y361 HydrophobicContact CG2-CD1 4.26Å; I271-Y361 HydrophobicContact CG2-CE1 4.2Å
272	H	93.6	Very high	75.4	Confident	28 Å²	28	46.5 Å²	46.5	13%	0.13	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.4	167.1	174.6	70.6	0	0	0	108.9	Y195 P196 M359 I360 F362	Y195-H272 AromaticContact CD1-CD2 3.75Å; Y195-H272 AromaticContact CD1-NE2 3.75Å; P196-H272 PolarHBondContact O-ND1 3.23Å; H272-M359 CarbonylContact O-C 3.53Å; H272-M359 WeakPolarHBondContact O-CA 3.17Å; H272-I360 HydrophobicContact CB-CB 4.35Å; H272-I360 PolarHBondContact N-O 3.48Å; H272-I360 PolarHBondContact O-N 2.97Å; H272-F362 HydrophobicContact CB-CE2 4.18Å
273	E	92.1	Very high	72.3	Confident	35 Å²	35	50 Å²	50	16%	0.164	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.3	173.9	-64	-168	174.4	0	0	109.2	D275 S276 K357 M359	E273-D275 VanDerWaalsContact C-N 3.3Å; E273-D275 PolarHBondContact O-N 2.89Å; E273-S276 PolarHBondContact O-N 2.95Å; E273-K357 IonicContact OE1-NZ 2.72Å; E273-K357 PolarHBondContact OE1-NZ 3.48Å; E273-K357 IonicContact OE2-NZ 4Å; E273-K357 PolarHBondContact OE2-NZ 3.17Å; E273-M359 HydrophobicContact CG-CE 3.73Å; E273-M359 HydrophobicContact CG-CG 4.14Å; E273-M359 VanDerWaalsContact OE1-CE 3.28Å; E273-M359 WeakPolarHBondContact OE1-CE 3.45Å
274	L	84.6	Confident	69.7	Low	63 Å²	63	58.8 Å²	58.8	33%	0.33	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-27.4	-176.4	-79.1	145.8	0	0	0	113	S276 L340 K358 I360	L274-S276 VanDerWaalsContact C-N 3.34Å; L274-L340 HydrophobicContact CD1-CD1 4.16Å; L274-L340 HydrophobicContact CD1-CD2 4.01Å; L274-L340 HydrophobicContact CD2-CD2 3.61Å; L274-L340 HydrophobicContact CG-CD2 4.47Å; L274-K358 HydrophobicContact CB-CB 3.97Å; L274-K358 HydrophobicContact CD1-CB 3.84Å; L274-K358 PolarHBondContact N-O 3.45Å; L274-I360 HydrophobicContact CD1-CG1 4.27Å
275	D	72.2	Confident	66.8	Low	112 Å²	112	64.1 Å²	64.1	60%	0.599	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	8	-176.1	-58.4	-43.6	0	0	0	113.4	E273 A277	E273-D275 VanDerWaalsContact C-N 3.3Å; E273-D275 PolarHBondContact O-N 2.89Å; D275-A277 PolarHBondContact O-N 3.38Å
276	S	58	Low	63.9	Low	68 Å²	68	69.8 Å²	69.8	48%	0.476	46%	0.458	S	S	.	.			trans	-72.5	97.3	172.5	-70.7	0	0	0	0	109.1	E273 L274	E273-S276 PolarHBondContact O-N 2.95Å; L274-S276 VanDerWaalsContact C-N 3.34Å
277	A	40.8	Very low	60.7	Low	84 Å²	84	75.6 Å²	75.6	69%	0.694	49%	0.494	S	S	*	.			trans	-43.7	137.2	171.7	0	0	0	0	0	109.9	D275 A279	D275-A277 PolarHBondContact O-N 3.38Å; A277-A279 PolarHBondContact O-N 3.2Å
278	P	42.2	Very low	57.9	Low	121 Å²	121	84.8 Å²	84.8	79%	0.786	53%	0.534	S	S	*	.			trans	-56.4	119.8	177.8	23.4	-30.8	0	0	0	107	A280	P278-A280 PolarHBondContact O-N 3.05Å
279	A	40.3	Very low	55	Low	98 Å²	98	92.4 Å²	92.4	81%	0.81	57%	0.568	S	S	*	*			trans	-49	114.5	168.2	0	0	0	0	0	106.1	A277 S281	A277-A279 PolarHBondContact O-N 3.2Å; A279-S281 PolarHBondContact O-N 3.4Å
280	A	35.2	Very low	51.7	Low	77 Å²	77	99 Å²	99	64%	0.636	61%	0.609	S	S	*	*			trans	-49.9	112.6	-177	0	0	0	0	0	108.2	P278 T282	P278-A280 PolarHBondContact O-N 3.05Å; A280-T282 HydrophobicContact CB-CG2 4.47Å; A280-T282 PolarHBondContact O-N 3.46Å; A280-T282 PolarHBondContact O-OG1 3.22Å
281	S	35.9	Very low	48.8	Very low	122 Å²	122	103.9 Å²	103.9	85%	0.853	65%	0.649	S	S	*	*			trans	-62	78.8	152.7	46	0	0	0	0	106.3	A279 G283	A279-S281 PolarHBondContact O-N 3.4Å; S281-G283 PolarHBondContact O-N 2.93Å
282	T	33.8	Very low	45.8	Very low	125 Å²	125	107.9 Å²	107.9	77%	0.767	68%	0.683	S	S	*	*			trans	-59.1	116.9	167	17.9	0	0	0	0	105.4	A280 E284	A280-T282 HydrophobicContact CB-CG2 4.47Å; A280-T282 PolarHBondContact O-N 3.46Å; A280-T282 PolarHBondContact O-OG1 3.22Å; T282-E284 PolarHBondContact O-N 3.11Å
283	G	30.2	Very low	43	Very low	73 Å²	73	113.2 Å²	113.2	75%	0.753	72%	0.718	S	S	*	*			trans	-58.5	120.1	-177.2	0	0	0	0	0	111	S281	S281-G283 PolarHBondContact O-N 2.93Å
284	E	36.9	Very low	40.2	Very low	186 Å²	186	117.7 Å²	117.7	87%	0.869	75%	0.748	S	S	*	*			trans	-113.4	102	147.7	-77.1	-168.1	161	0	0	108.7	T282 S286	T282-E284 PolarHBondContact O-N 3.11Å; E284-S286 PolarHBondContact O-N 3.23Å
285	T	29.3	Very low	37.9	Very low	125 Å²	125	120.5 Å²	120.5	77%	0.767	77%	0.773	S	S	*	*			trans	-34.1	112.6	159.2	-47.5	0	0	0	0	112.1
286	S	35.4	Very low	36	Very low	120 Å²	120	119.2 Å²	119.2	84%	0.839	78%	0.778	S	S	*	*			trans	-130.8	84.6	155.3	-84.8	0	0	0	0	109.7	E284 K288	E284-S286 PolarHBondContact O-N 3.23Å; S286-K288 PolarHBondContact O-N 3.26Å
287	T	29.4	Very low	34.9	Very low	121 Å²	121	122.6 Å²	122.6	74%	0.742	80%	0.8	S	S	*	*			trans	-48.7	120.5	158.1	2.9	0	0	0	0	110.3
288	K	39.2	Very low	34.5	Very low	195 Å²	195	130.9 Å²	130.9	85%	0.848	81%	0.813	S	S	*	*			trans	-168.7	106.8	138.4	-105.3	162.8	-170.8	-179.5	0	113.2	S286	S286-K288 PolarHBondContact O-N 3.26Å
289	Q	36	Very low	34.2	Very low	181 Å²	181	128.6 Å²	128.6	85%	0.846	81%	0.811	S	S	*	*			trans	68.4	90.9	140.5	-78	173.4	-14.1	0	0	119.5
290	T	29.3	Very low	33.7	Very low	140 Å²	140	131 Å²	131	86%	0.859	81%	0.811	S	S	*	*			trans	-55.4	139.1	135.8	43.5	0	0	0	0	111.8
291	A	35.4	Very low	34	Very low	101 Å²	101	132.9 Å²	132.9	84%	0.835	82%	0.819	S	S	*	*			trans	-144.7	101.5	150.8	0	0	0	0	0	108.1
292	A	32.5	Very low	34.3	Very low	91 Å²	91	131.8 Å²	131.8	75%	0.752	81%	0.812	S	S	*	*			trans	-63.6	143.1	166.9	0	0	0	0	0	110.4
293	T	34.6	Very low	34.3	Very low	140 Å²	140	134.5 Å²	134.5	86%	0.859	82%	0.816	S	S	*	*			trans	-150.3	114.8	140.6	-57	0	0	0	0	109.2
294	T	33.3	Very low	34.8	Very low	129 Å²	129	138 Å²	138	79%	0.791	82%	0.822	S	S	*	*			trans	-55.3	145.4	167.6	46.5	0	0	0	0	113.8
295	S	36.8	Very low	34.7	Very low	122 Å²	122	138 Å²	138	85%	0.853	82%	0.822	S	S	*	*			trans	-170.8	128.4	135.2	-179.4	0	0	0	0	110.6
296	A	31.2	Very low	35.1	Very low	84 Å²	84	139.7 Å²	139.7	69%	0.694	83%	0.826	S	S	*	*			trans	-63.2	154	178.8	0	0	0	0	0	114
297	C	36.2	Very low	34.9	Very low	139 Å²	139	137.2 Å²	137.2	94%	0.939	82%	0.82	S	S	*	*			trans	-150.1	108.9	142.4	-82.8	0	0	0	0	108.3
298	R	30.6	Very low	35.5	Very low	258 Å²	258	136.9 Å²	136.9	97%	0.974	82%	0.823	S	S	*	*			trans	-83.7	148.3	163.4	-76	176.3	168.2	174.2	-5.5	108.7
299	G	35.9	Very low	35.3	Very low	73 Å²	73	135.3 Å²	135.3	75%	0.753	82%	0.823	S	S	*	*			trans	172.6	86.2	166.9	0	0	0	0	0	105.9
300	D	31.4	Very low	35.4	Very low	150 Å²	150	135.6 Å²	135.6	80%	0.802	83%	0.825	S	S	*	*				54.4	105.1	76.4	-162.6	21.9	0	0	0	113.1
301	S	41.6	Very low	35.7	Very low	115 Å²	115	134 Å²	134	80%	0.804	82%	0.819	S	S	*	*			trans	-159.3	80.2	158.1	-73	0	0	0	0	107.7
302	S	40.7	Very low	35.8	Very low	100 Å²	100	136.2 Å²	136.2	70%	0.699	82%	0.817	S	S	*	*			trans	18.9	125.1	141.3	60.3	0	0	0	0	120.4
303	E	33.8	Very low	36	Very low	182 Å²	182	139.1 Å²	139.1	85%	0.85	82%	0.82	S	S	*	*			trans	-26.4	143	149.2	-61.3	167	161.1	0	0	116.8
304	V	42.1	Very low	36.3	Very low	147 Å²	147	142.7 Å²	142.7	89%	0.891	82%	0.819	S	S	*	*			trans	-140.9	98	143.8	-102.8	0	0	0	0	107.4
305	E	33.2	Very low	36.5	Very low	185 Å²	185	139.3 Å²	139.3	86%	0.864	81%	0.81	S	S	*	*			trans	-66.1	134.9	153.2	-68.8	-165.6	150.7	0	0	108.3
306	N	37.6	Very low	36.5	Very low	161 Å²	161	139.8 Å²	139.8	86%	0.861	81%	0.813	S	S	*	*			trans	-147.3	106.7	152	-145.7	19.8	0	0	0	108.6
307	G	32.7	Very low	36.8	Very low	68 Å²	68	144.2 Å²	144.2	70%	0.701	82%	0.819	S	S	*	*			trans	-79.3	146	165.2	0	0	0	0	0	110.4
308	S	40.7	Very low	36.9	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	81%	0.813	S	S	*	*			trans	-169.2	120.1	143.8	51.2	0	0	0	0	108
309	D	34.9	Very low	37.3	Very low	162 Å²	162	137.2 Å²	137.2	87%	0.866	80%	0.804	S	S	*	*			trans	-39	134.8	159.7	-71.5	-55.8	0	0	0	111.7
310	E	39.5	Very low	37.8	Very low	187 Å²	187	138.8 Å²	138.8	87%	0.874	80%	0.801	S	S	*	*			trans	-160.4	122.1	137	-111.9	175.7	166.1	0	0	110.7
311	S	34.7	Very low	38.8	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	80%	0.802	S	S	*	*			trans	-48.6	129	174.2	48.8	0	0	0	0	113.3
312	N	37.8	Very low	39.3	Very low	147 Å²	147	141.2 Å²	141.2	79%	0.786	81%	0.806	S	S	*	*			trans	-139	95.5	152.5	-89.8	-44.4	0	0	0	110.5	Y314	N312-Y314 PolarHBondContact O-N 2.88Å
313	D	36.1	Very low	40.1	Very low	153 Å²	153	141 Å²	141	82%	0.818	80%	0.804	S	S	*	*			trans	-55.5	107.1	158.5	177.6	32.4	0	0	0	109.7
314	Y	41.4	Very low	41.4	Very low	215 Å²	215	137.2 Å²	137.2	84%	0.843	80%	0.795	S	S	*	*			trans	-135.5	90.2	165.8	-101.3	-84.4	0	0	0	109	N312	N312-Y314 PolarHBondContact O-N 2.88Å
315	G	37.4	Very low	42.4	Very low	58 Å²	58	135.7 Å²	135.7	60%	0.598	79%	0.789	S	S	*	*			trans	42.4	101.2	142.5	0	0	0	0	0	117.5	Q317	G315-Q317 PolarHBondContact O-N 3.28Å
316	S	36.9	Very low	43.8	Very low	132 Å²	132	129.7 Å²	129.7	92%	0.923	77%	0.765	S	S	*	*			trans	-49.7	94.5	164.1	-54.6	0	0	0	0	112.1
317	Q	37.8	Very low	45.1	Very low	176 Å²	176	123 Å²	123	82%	0.822	73%	0.731	S	S	*	*			trans	-79.7	135.8	159.3	-86.5	-169.6	-61.6	0	0	108.9	G315 T319	G315-Q317 PolarHBondContact O-N 3.28Å; Q317-T319 PolarHBondContact O-N 3.47Å; Q317-T319 VanDerWaalsContact O-N 3.14Å
318	P	37.9	Very low	46.9	Very low	125 Å²	125	124.6 Å²	124.6	81%	0.812	72%	0.723	S	S	*	*			trans	-71.5	111.6	174.2	24.6	-20.8	0	0	0	108.4
319	T	39.5	Very low	48.5	Very low	126 Å²	126	119.4 Å²	119.4	77%	0.773	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-66.4	142.6	165.7	42.8	0	0	0	0	109.1	Q317	Q317-T319 PolarHBondContact O-N 3.47Å; Q317-T319 VanDerWaalsContact O-N 3.14Å
320	P	46.8	Very low	50.3	Low	106 Å²	106	111.7 Å²	111.7	69%	0.688	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-57.1	150.9	175.9	-20	31.1	0	0	0	110.9	E322	P320-E322 PolarHBondContact O-N 2.88Å
321	P	50.9	Low	52.1	Low	128 Å²	128	103.2 Å²	103.2	83%	0.831	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-53.7	126.4	178.6	21.4	-31.2	0	0	0	110.2	S323	P321-S323 PolarHBondContact O-N 3.48Å
322	E	52.4	Low	53.5	Low	188 Å²	188	98.9 Å²	98.9	88%	0.879	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-57	134.6	-178.7	-148.9	168.1	-172	0	0	109.7	P320	P320-E322 PolarHBondContact O-N 2.88Å
323	S	58.5	Low	54.3	Low	95 Å²	95	96.4 Å²	96.4	66%	0.664	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-63.2	136.5	176.5	-67	0	0	0	0	108.9	P321	P321-S323 PolarHBondContact O-N 3.48Å
324	P	60.4	Low	55.1	Low	103 Å²	103	91.8 Å²	91.8	67%	0.669	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-56.3	139.9	179.9	21.1	-30.8	0	0	0	110.1
325	P	63.2	Low	55.3	Low	115 Å²	115	87.6 Å²	87.6	75%	0.747	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-58.8	149.9	-177.6	23.4	-33.2	0	0	0	110.9
326	P	62.6	Low	55.8	Low	58 Å²	58	87.8 Å²	87.8	38%	0.377	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-57.7	141.8	178.7	22.5	-30.9	0	0	0	110.7	L328	P326-L328 PolarHBondContact O-N 3.09Å; P326-L328 VanDerWaalsContact O-N 3.13Å
327	C	65.5	Low	56.5	Low	22 Å²	22	85 Å²	85	15%	0.149	52%	0.52	C	S	.	.			trans	-74.9	105.6	179	-167.6	0	0	0	0	109.5	R161 R163 G329	R161-C327 WeakPolarHBondContact O-CB 3.29Å; R163-C327 HydrophobicContact CG-CB 4.05Å; R163-C327 VanDerWaalsContact CG-SG 3.55Å; R163-C327 PolarHBondContact NE-SG 3.45Å; C327-G329 VanDerWaalsContact C-N 3.27Å; C327-G329 PolarHBondContact O-N 3.38Å; C327-G329 PolarHBondContact SG-O 3.29Å
328	L	70.9	Confident	57.3	Low	101 Å²	101	86.1 Å²	86.1	53%	0.529	53%	0.526	S	S	.	.	S	Bend	trans	-70.1	-20.1	-176.2	-62.6	176.6	0	0	0	114.1	P326 F346	P326-L328 PolarHBondContact O-N 3.09Å; P326-L328 VanDerWaalsContact O-N 3.13Å; L328-F346 WeakPolarHBondContact O-CD2 3.31Å
329	G	73.1	Confident	58.2	Low	4 Å²	4	88.4 Å²	88.4	4%	0.041	53%	0.526	C	S	.	.			trans	-140.1	137.5	176.3	0	0	0	0	0	114.4	C327 F331	C327-G329 VanDerWaalsContact C-N 3.27Å; C327-G329 PolarHBondContact O-N 3.38Å; C327-G329 PolarHBondContact SG-O 3.29Å; G329-F331 PolarHBondContact O-N 3.5Å; G329-F331 VanDerWaalsContact O-N 3.16Å
330	A	73.2	Confident	59.3	Low	0 Å²	0	84.1 Å²	84.1	0%	0	50%	0.498	C	S	.	.	S	Bend	trans	-59	-26.6	174.7	0	0	0	0	0	111.8	R245 M249 F346	R245-A330 PolarHBondContact NE-O 2.91Å; R245-A330 PolarHBondContact NH2-O 2.9Å; M249-A330 HydrophobicContact CE-CB 4.16Å; M249-A330 HydrophobicContact SD-CB 4.12Å; A330-F346 HydrophobicContact CB-CD1 4.21Å; A330-F346 HydrophobicContact CB-CE1 3.7Å; A330-F346 HydrophobicContact CB-CE2 4.33Å; A330-F346 HydrophobicContact CB-CZ 3.74Å; A330-F346 WeakPolarHBondContact CB-O 3.33Å; A330-F346 PolarHBondContact N-O 3.43Å
331	F	77.9	Confident	60.2	Low	10 Å²	10	87 Å²	87	4%	0.044	50%	0.502	C	S	.	.	S	Bend	trans	-115.7	-11.1	-176.4	-58.1	-83.6	0	0	0	115.2	L165 R245 L246 M249 G329 F334 A348 V349	L165-F331 HydrophobicContact CD2-CE2 4.39Å; L165-F331 HydrophobicContact CD2-CZ 4.07Å; R245-F331 PolarHBondContact NH1-O 2.95Å; R245-F331 VanDerWaalsContact NH1-O 3.12Å; L246-F331 HydrophobicContact CB-CE1 4.03Å; L246-F331 HydrophobicContact CD1-CE1 4.24Å; L246-F331 HydrophobicContact CD1-CZ 3.96Å; M249-F331 HydrophobicContact CE-CD1 3.91Å; M249-F331 HydrophobicContact CE-CE1 3.36Å; M249-F331 HydrophobicContact CE-CE2 4.2Å; M249-F331 HydrophobicContact CE-CZ 3.53Å; G329-F331 PolarHBondContact O-N 3.5Å; G329-F331 VanDerWaalsContact O-N 3.16Å; F331-F334 HydrophobicContact CB-CE2 3.96Å; F331-F334 HydrophobicContact CB-CZ 3.58Å; F331-A348 VanDerWaalsContact CD2-O 3.24Å; F331-A348 WeakPolarHBondContact CD2-O 3.41Å; F331-V349 HydrophobicContact CB-CB 4.45Å; F331-V349 HydrophobicContact CB-CG2 4.49Å; F331-V349 HydrophobicContact CD1-CB 4.19Å; F331-V349 HydrophobicContact CD1-CG2 4.13Å; F331-V349 HydrophobicContact CD2-CB 3.91Å; F331-V349 HydrophobicContact CE1-CB 4.44Å; F331-V349 HydrophobicContact CE2-CB 4.17Å; F331-V349 HydrophobicContact CE2-CG1 4.41Å; F331-V349 HydrophobicContact CG-CB 3.92Å; F331-V349 HydrophobicContact CG-CG2 4.17Å; F331-V349 HydrophobicContact CZ-CB 4.43Å; F331-V349 HydrophobicContact CZ-CG1 4.45Å
332	A	63	Low	61.2	Low	15 Å²	15	81.1 Å²	81.1	12%	0.124	46%	0.464	C	S	.	.			trans	-67.1	162.4	-172.6	0	0	0	0	0	115.7	R245	R245-A332 PolarHBondContact NH1-O 3.07Å
333	P	54.5	Low	61.7	Low	95 Å²	95	76 Å²	76	62%	0.617	44%	0.443	S	S	*	.			cis	-97	134.4	1.9	30.2	-18.2	0	0	0	112.5	S335	P333-S335 VanDerWaalsContact C-N 3.34Å; P333-S335 PolarHBondContact O-N 3.07Å
334	F	53.7	Low	62.4	Low	55 Å²	55	77.8 Å²	77.8	24%	0.241	45%	0.445	C	S	.	.			trans	-79.6	77.4	-179.5	-72.3	-77.8	0	0	0	110.5	F331 G336 V349 P350	F331-F334 HydrophobicContact CB-CE2 3.96Å; F331-F334 HydrophobicContact CB-CZ 3.58Å; F334-G336 PolarHBondContact O-N 2.7Å; F334-V349 HydrophobicContact CZ-CG2 4.33Å; F334-P350 HydrophobicContact CD1-CG 3.51Å; F334-P350 HydrophobicContact CE1-CG 3.31Å; F334-P350 HydrophobicContact CG-CG 4.24Å; F334-P350 HydrophobicContact CZ-CG 3.86Å
335	S	45.9	Very low	63.6	Low	127 Å²	127	74.1 Å²	74.1	89%	0.888	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	38.2	177	42.9	0	0	0	0	114	P333	P333-S335 VanDerWaalsContact C-N 3.34Å; P333-S335 PolarHBondContact O-N 3.07Å
336	G	48.1	Very low	64.9	Low	63 Å²	63	68.9 Å²	68.9	65%	0.649	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.6	-13.7	-173	0	0	0	0	0	117.4	F334	F334-G336 PolarHBondContact O-N 2.7Å
337	N	51.1	Low	66.4	Low	72 Å²	72	66.3 Å²	66.3	39%	0.385	37%	0.367	S	S	.	.			trans	-144.9	88	178	-85.9	-26.9	0	0	0	109.7	E339 L340	N337-E339 PolarHBondContact O-N 3.11Å; N337-E339 VanDerWaalsContact O-N 3.12Å; N337-L340 PolarHBondContact O-N 3.13Å
338	E	53.4	Low	67.8	Low	201 Å²	201	65.3 Å²	65.3	94%	0.939	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.5	176.1	-64.8	-176.7	155.6	0	0	113	L340	E338-L340 VanDerWaalsContact C-N 3.35Å
339	E	57.3	Low	68.8	Low	172 Å²	172	60.5 Å²	60.5	80%	0.804	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-22.3	177.8	-72	-176	160.9	0	0	114	N337	N337-E339 PolarHBondContact O-N 3.11Å; N337-E339 VanDerWaalsContact O-N 3.12Å
340	L	62.8	Low	69.7	Low	37 Å²	37	61.1 Å²	61.1	19%	0.194	34%	0.338	C	S	.	.			trans	-108.1	100.3	-176	-65.6	178.5	0	0	0	110.4	L274 N337 E338 V342 P350 I360	L274-L340 HydrophobicContact CD1-CD1 4.16Å; L274-L340 HydrophobicContact CD1-CD2 4.01Å; L274-L340 HydrophobicContact CD2-CD2 3.61Å; L274-L340 HydrophobicContact CG-CD2 4.47Å; N337-L340 PolarHBondContact O-N 3.13Å; E338-L340 VanDerWaalsContact C-N 3.35Å; L340-V342 VanDerWaalsContact C-N 3.27Å; L340-V342 HydrophobicContact CB-CG2 3.86Å; L340-V342 PolarHBondContact O-N 3.28Å; L340-P350 HydrophobicContact CD1-CB 4.4Å; L340-I360 HydrophobicContact CD2-CD1 4.32Å
341	Q	65.5	Low	70.6	Confident	165 Å²	165	61.8 Å²	61.8	77%	0.771	34%	0.344	S	S	*	.			trans	-73.3	79.1	174.5	-66.9	-177.3	-17.7	0	0	110.4	Y195	Y195-Q341 VanDerWaalsContact OH-C 3.32Å; Y195-Q341 PolarHBondContact OH-O 3.26Å
342	V	71.5	Confident	71.3	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.03	35%	0.35	C	S	.	.			trans	-110.2	-3.4	-175.8	-175.6	0	0	0	0	111.5	Y195 L340 D344 E345 A348 I360	Y195-V342 HydrophobicContact CE2-CG2 4.3Å; L340-V342 VanDerWaalsContact C-N 3.27Å; L340-V342 HydrophobicContact CB-CG2 3.86Å; L340-V342 PolarHBondContact O-N 3.28Å; V342-D344 PolarHBondContact O-N 3Å; V342-E345 HydrophobicContact CG1-CB 4.13Å; V342-E345 WeakPolarHBondContact O-CB 3.43Å; V342-E345 PolarHBondContact O-N 2.65Å; V342-A348 HydrophobicContact CG1-CB 3.22Å; V342-I360 HydrophobicContact CG2-CD1 4.06Å
343	D	64.7	Low	72.3	Confident	82 Å²	82	68.4 Å²	68.4	44%	0.439	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-25.7	-174.6	-68.1	-38.2	0	0	0	113.8
344	D	72.3	Confident	73.9	Confident	131 Å²	131	68.2 Å²	68.2	70%	0.701	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-4.2	175.4	-66.2	-24.6	0	0	0	113.4	V342	V342-D344 PolarHBondContact O-N 3Å
345	E	85.6	Confident	75.6	Confident	26 Å²	26	66.3 Å²	66.3	12%	0.121	37%	0.37	C	S	.	.			trans	-101.7	88.1	-174.9	-61.5	-67	178.2	0	0	110.7	S192 N194 Y195 V342 Y347 A348 F362	S192-E345 VanDerWaalsContact CA-OE2 3.3Å; S192-E345 WeakPolarHBondContact CA-OE2 3.42Å; S192-E345 WeakPolarHBondContact CB-OE1 3.46Å; S192-E345 WeakPolarHBondContact CB-OE2 3.18Å; S192-E345 PolarHBondContact OG-OE1 2.9Å; S192-E345 PolarHBondContact OG-OE2 2.56Å; N194-E345 PolarHBondContact ND2-OE1 3.12Å; Y195-E345 HydrophobicContact CD2-CG 4.2Å; Y195-E345 HydrophobicContact CE2-CG 3.98Å; V342-E345 HydrophobicContact CG1-CB 4.13Å; V342-E345 WeakPolarHBondContact O-CB 3.43Å; V342-E345 PolarHBondContact O-N 2.65Å; E345-Y347 VanDerWaalsContact C-N 3.31Å; E345-Y347 PolarHBondContact O-N 3.09Å; E345-Y347 VanDerWaalsContact O-N 3.09Å; E345-A348 HydrophobicContact CB-CB 3.61Å; E345-A348 VanDerWaalsContact O-CB 3.28Å; E345-A348 WeakPolarHBondContact O-CB 3.12Å; E345-A348 PolarHBondContact O-N 3.43Å; E345-F362 HydrophobicContact CB-CE1 4.25Å
346	F	90.3	Very high	77.6	Confident	6 Å²	6	65 Å²	65	3%	0.026	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-41.8	-165.6	-179.5	-89.7	0	0	0	115.1	S162 T164 Q168 L328 A330	S162-F346 WeakPolarHBondContact O-CE2 3.34Å; S162-F346 WeakPolarHBondContact O-CZ 3.42Å; T164-F346 VanDerWaalsContact O-CE1 3.31Å; T164-F346 WeakPolarHBondContact O-CE1 3.41Å; Q168-F346 VanDerWaalsContact NE2-CD1 3.27Å; Q168-F346 VanDerWaalsContact NE2-CE2 3.34Å; L328-F346 WeakPolarHBondContact O-CD2 3.31Å; A330-F346 HydrophobicContact CB-CD1 4.21Å; A330-F346 HydrophobicContact CB-CE1 3.7Å; A330-F346 HydrophobicContact CB-CE2 4.33Å; A330-F346 HydrophobicContact CB-CZ 3.74Å; A330-F346 WeakPolarHBondContact CB-O 3.33Å; A330-F346 PolarHBondContact N-O 3.43Å
347	Y	94.5	Very high	79.6	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.016	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	3.5	-176.5	-64.6	-75.2	0	0	0	114.2	L166 Q168 R188 V190 E345 F362 I363	L166-Y347 PolarHBondContact O-OH 3.35Å; Q168-Y347 PolarHBondContact N-OH 3.47Å; R188-Y347 HydrophobicContact CB-CE2 4.47Å; R188-Y347 HydrophobicContact CG-CE2 4.3Å; V190-Y347 HydrophobicContact CB-CD2 4.33Å; V190-Y347 HydrophobicContact CG1-CD2 4.48Å; V190-Y347 HydrophobicContact CG1-CG 4.27Å; V190-Y347 HydrophobicContact CG2-CD2 4.34Å; V190-Y347 HydrophobicContact CG2-CE2 4.22Å; E345-Y347 VanDerWaalsContact C-N 3.31Å; E345-Y347 PolarHBondContact O-N 3.09Å; E345-Y347 VanDerWaalsContact O-N 3.09Å; Y347-F362 WeakPolarHBondContact O-CA 3.46Å; Y347-I363 VanDerWaalsContact CD1-O 3.31Å; Y347-I363 WeakPolarHBondContact CD1-O 3.41Å; Y347-I363 PolarHBondContact O-N 2.88Å
348	A	94.2	Very high	81.5	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.008	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	141	-172.6	0	0	0	0	0	112.9	F331 V342 E345 I360 Y361 F362	F331-A348 VanDerWaalsContact CD2-O 3.24Å; F331-A348 WeakPolarHBondContact CD2-O 3.41Å; V342-A348 HydrophobicContact CG1-CB 3.22Å; E345-A348 HydrophobicContact CB-CB 3.61Å; E345-A348 VanDerWaalsContact O-CB 3.28Å; E345-A348 WeakPolarHBondContact O-CB 3.12Å; E345-A348 PolarHBondContact O-N 3.43Å; A348-I360 HydrophobicContact CB-CG2 4.08Å; A348-Y361 CarbonylContact C-O 3.53Å; A348-Y361 VanDerWaalsContact CA-O 3.31Å; A348-Y361 WeakPolarHBondContact CA-O 3.37Å; A348-F362 HydrophobicContact CB-CD1 3.94Å; A348-F362 HydrophobicContact CB-CE1 3.58Å; A348-F362 HydrophobicContact CB-CZ 4.18Å
349	V	92.9	Very high	83.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	116.6	172.7	61.8	0	0	0	0	109.5	L238 F331 F334 Y361 I363	L238-V349 HydrophobicContact CD2-CB 4.47Å; L238-V349 HydrophobicContact CD2-CG1 3.79Å; L238-V349 HydrophobicContact CD2-CG2 3.85Å; F331-V349 HydrophobicContact CB-CB 4.45Å; F331-V349 HydrophobicContact CB-CG2 4.49Å; F331-V349 HydrophobicContact CD1-CB 4.19Å; F331-V349 HydrophobicContact CD1-CG2 4.13Å; F331-V349 HydrophobicContact CD2-CB 3.91Å; F331-V349 HydrophobicContact CE1-CB 4.44Å; F331-V349 HydrophobicContact CE2-CB 4.17Å; F331-V349 HydrophobicContact CE2-CG1 4.41Å; F331-V349 HydrophobicContact CG-CB 3.92Å; F331-V349 HydrophobicContact CG-CG2 4.17Å; F331-V349 HydrophobicContact CZ-CB 4.43Å; F331-V349 HydrophobicContact CZ-CG1 4.45Å; F334-V349 HydrophobicContact CZ-CG2 4.33Å; V349-Y361 HydrophobicContact CG1-CD2 4.27Å; V349-Y361 PolarHBondContact N-O 2.88Å; V349-Y361 WeakPolarHBondContact O-CD2 3.37Å; V349-Y361 PolarHBondContact O-N 2.97Å; V349-I363 HydrophobicContact CG1-CD1 3.85Å; V349-I363 HydrophobicContact CG1-CG1 4.37Å
350	P	91.7	Very high	85	Confident	16 Å²	16	52.9 Å²	52.9	10%	0.104	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	147.6	175.3	30.2	-31.5	0	0	0	110.2	F334 L340	F334-P350 HydrophobicContact CD1-CG 3.51Å; F334-P350 HydrophobicContact CE1-CG 3.31Å; F334-P350 HydrophobicContact CG-CG 4.24Å; F334-P350 HydrophobicContact CZ-CG 3.86Å; L340-P350 HydrophobicContact CD1-CB 4.4Å
351	A	92.5	Very high	86.6	Confident	14 Å²	14	51.1 Å²	51.1	12%	0.116	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-64.6	154.1	169.4	0	0	0	0	0	111	Y237 A355 M359 Y361	Y237-A351 CarbonylContact O-C 3.55Å; Y237-A351 WeakPolarHBondContact O-CA 3.31Å; Y237-A351 WeakPolarHBondContact O-CB 3.42Å; A351-A355 HydrophobicContact CB-CB 3.95Å; A351-M359 HydrophobicContact CB-CB 4.09Å; A351-M359 WeakPolarHBondContact CB-O 3.48Å; A351-M359 PolarHBondContact N-O 3.08Å; A351-Y361 HydrophobicContact CB-CE2 3.66Å
352	R	91.1	Very high	88.1	Confident	48 Å²	48	43.3 Å²	43.3	18%	0.181	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-62.7	153.3	169	60.9	178.8	-164.2	158.7	-11.5	110.8	Y237 D354 A355 D414	Y237-R352 PolarHBondContact O-N 3.16Å; R352-D354 WeakPolarHBondContact CB-OD1 3.36Å; R352-D354 WeakPolarHBondContact CD-OD1 3.27Å; R352-D354 WeakPolarHBondContact CG-OD1 3.42Å; R352-D354 IonicContact CZ-OD1 3.88Å; R352-D354 IonicContact CZ-OD2 3.78Å; R352-D354 IonicContact NE-OD1 3.63Å; R352-D354 PolarHBondContact NE-OD1 3.34Å; R352-D354 VanDerWaalsContact NE-OD1 3.07Å; R352-D354 IonicContact NE-OD2 3.45Å; R352-D354 PolarHBondContact NE-OD2 2.94Å; R352-D354 IonicContact NH1-OD1 2.94Å; R352-D354 IonicContact NH1-OD2 2.88Å; R352-D354 PolarHBondContact NH1-OD2 3.38Å; R352-D354 IonicContact NH2-OD2 2.8Å; R352-D354 PolarHBondContact O-N 2.82Å; R352-A355 HydrophobicContact CG-CB 4.4Å; R352-A355 VanDerWaalsContact O-CB 3.24Å; R352-A355 WeakPolarHBondContact O-CB 3.38Å; R352-A355 PolarHBondContact O-N 2.77Å; R352-A355 VanDerWaalsContact O-N 3.07Å; R352-D414 IonicContact CZ-OD2 3.84Å; R352-D414 IonicContact NH2-OD2 3.63Å; R352-D414 PolarHBondContact NH2-OD2 3.19Å
353	C	85.2	Confident	89.3	Confident	117 Å²	117	43.1 Å²	43.1	79%	0.791	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-25.3	-172.6	-56.3	0	0	0	0	114.5	A355	C353-A355 VanDerWaalsContact C-N 3.34Å
354	D	87.4	Confident	90.9	Very high	90 Å²	90	39.2 Å²	39.2	48%	0.481	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	11.1	178	63.5	-34.9	0	0	0	113.3	R352	R352-D354 WeakPolarHBondContact CB-OD1 3.36Å; R352-D354 WeakPolarHBondContact CD-OD1 3.27Å; R352-D354 WeakPolarHBondContact CG-OD1 3.42Å; R352-D354 IonicContact CZ-OD1 3.88Å; R352-D354 IonicContact CZ-OD2 3.78Å; R352-D354 IonicContact NE-OD1 3.63Å; R352-D354 PolarHBondContact NE-OD1 3.34Å; R352-D354 VanDerWaalsContact NE-OD1 3.07Å; R352-D354 IonicContact NE-OD2 3.45Å; R352-D354 PolarHBondContact NE-OD2 2.94Å; R352-D354 IonicContact NH1-OD1 2.94Å; R352-D354 IonicContact NH1-OD2 2.88Å; R352-D354 PolarHBondContact NH1-OD2 3.38Å; R352-D354 IonicContact NH2-OD2 2.8Å; R352-D354 PolarHBondContact O-N 2.82Å
355	A	89.1	Confident	92.1	Very high	15 Å²	15	33 Å²	33	12%	0.124	18%	0.178	C	C	.	.	S	Bend	trans	-62.9	148.3	170.7	0	0	0	0	0	110.8	Y237 A351 R352 C353 K357	Y237-A355 HydrophobicContact CD1-CB 4.45Å; Y237-A355 HydrophobicContact CD2-CB 4.3Å; Y237-A355 HydrophobicContact CG-CB 3.86Å; A351-A355 HydrophobicContact CB-CB 3.95Å; R352-A355 HydrophobicContact CG-CB 4.4Å; R352-A355 VanDerWaalsContact O-CB 3.24Å; R352-A355 WeakPolarHBondContact O-CB 3.38Å; R352-A355 PolarHBondContact O-N 2.77Å; R352-A355 VanDerWaalsContact O-N 3.07Å; C353-A355 VanDerWaalsContact C-N 3.34Å; A355-K357 WeakPolarHBondContact CB-O 3.28Å; A355-K357 PolarHBondContact O-N 2.85Å
356	P	89.5	Confident	92.6	Very high	99 Å²	99	33.5 Å²	33.5	64%	0.643	18%	0.181	S	C	*	.	S	Bend	trans	-58	-24	179.7	-25.3	33.9	0	0	0	114.6	Y237	Y237-P356 HydrophobicContact CE1-CG 4.12Å; Y237-P356 HydrophobicContact CE2-CG 4.06Å
357	K	89.2	Confident	92.7	Very high	97 Å²	97	36.2 Å²	36.2	42%	0.422	20%	0.196	S	C	.	.	S	Bend	trans	-140.7	149.1	176.9	-69.2	-177.5	173.6	-171.2	0	109.1	E273 A355 M359	E273-K357 IonicContact OE1-NZ 2.72Å; E273-K357 PolarHBondContact OE1-NZ 3.48Å; E273-K357 IonicContact OE2-NZ 4Å; E273-K357 PolarHBondContact OE2-NZ 3.17Å; A355-K357 WeakPolarHBondContact CB-O 3.28Å; A355-K357 PolarHBondContact O-N 2.85Å; K357-M359 HydrophobicContact CB-CE 3.68Å; K357-M359 HydrophobicContact CB-CG 4.19Å; K357-M359 HydrophobicContact CB-SD 4.4Å; K357-M359 HydrophobicContact CD-CE 3.57Å; K357-M359 HydrophobicContact CG-CE 4.2Å; K357-M359 PolarHBondContact O-N 3.05Å
358	K	89.9	Confident	92.8	Very high	131 Å²	131	36 Å²	36	57%	0.57	20%	0.196	S	C	*	.			trans	-73.1	119.2	170.6	-68.8	-174.9	177.7	-175.4	0	109.6	L274	L274-K358 HydrophobicContact CB-CB 3.97Å; L274-K358 HydrophobicContact CD1-CB 3.84Å; L274-K358 PolarHBondContact N-O 3.45Å
359	M	92.6	Very high	92.7	Very high	27 Å²	27	36.7 Å²	36.7	13%	0.133	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.5	-173.7	-68.1	172.6	170.9	0	0	112.4	I271 H272 E273 A351 K357 Y361	I271-M359 HydrophobicContact CG2-CB 4.46Å; I271-M359 HydrophobicContact CG2-CE 4.46Å; I271-M359 HydrophobicContact CG2-CG 4.25Å; I271-M359 HydrophobicContact CG2-SD 3.98Å; H272-M359 CarbonylContact O-C 3.53Å; H272-M359 WeakPolarHBondContact O-CA 3.17Å; E273-M359 HydrophobicContact CG-CE 3.73Å; E273-M359 HydrophobicContact CG-CG 4.14Å; E273-M359 VanDerWaalsContact OE1-CE 3.28Å; E273-M359 WeakPolarHBondContact OE1-CE 3.45Å; A351-M359 HydrophobicContact CB-CB 4.09Å; A351-M359 WeakPolarHBondContact CB-O 3.48Å; A351-M359 PolarHBondContact N-O 3.08Å; K357-M359 HydrophobicContact CB-CE 3.68Å; K357-M359 HydrophobicContact CB-CG 4.19Å; K357-M359 HydrophobicContact CB-SD 4.4Å; K357-M359 HydrophobicContact CD-CE 3.57Å; K357-M359 HydrophobicContact CG-CE 4.2Å; K357-M359 PolarHBondContact O-N 3.05Å; M359-Y361 HydrophobicContact CB-CE1 4.41Å; M359-Y361 HydrophobicContact SD-CE1 4.19Å
360	I	93.5	Very high	92.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.9	165	-53.4	173.1	0	0	0	107.6	Y195 H272 L274 L340 V342 A348 F362	Y195-I360 HydrophobicContact CD1-CD1 3.69Å; Y195-I360 HydrophobicContact CD2-CD1 4.44Å; Y195-I360 HydrophobicContact CE1-CD1 3.65Å; Y195-I360 HydrophobicContact CE2-CD1 4.44Å; Y195-I360 HydrophobicContact CG-CD1 4.1Å; H272-I360 HydrophobicContact CB-CB 4.35Å; H272-I360 PolarHBondContact N-O 3.48Å; H272-I360 PolarHBondContact O-N 2.97Å; L274-I360 HydrophobicContact CD1-CG1 4.27Å; L340-I360 HydrophobicContact CD2-CD1 4.32Å; V342-I360 HydrophobicContact CG2-CD1 4.06Å; A348-I360 HydrophobicContact CB-CG2 4.08Å; I360-F362 HydrophobicContact CB-CE2 4.33Å; I360-F362 HydrophobicContact CG2-CE2 3.84Å; I360-F362 HydrophobicContact CG2-CZ 3.9Å
361	Y	95.5	Very high	92.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140	174.1	-48.3	-77.9	0	0	0	110.1	L236 Y237 L238 G270 I271 A348 V349 A351 M359	L236-Y361 HydrophobicContact CD2-CD1 3.66Å; L236-Y361 HydrophobicContact CD2-CE1 3.67Å; L236-Y361 HydrophobicContact CD2-CG 4.32Å; Y237-Y361 PolarHBondContact N-OH 3.25Å; Y237-Y361 VanDerWaalsContact N-OH 3.16Å; L238-Y361 HydrophobicContact CD2-CD2 3.47Å; L238-Y361 VanDerWaalsContact CD2-CD2 3.47Å; L238-Y361 HydrophobicContact CD2-CE2 3.73Å; L238-Y361 HydrophobicContact CD2-CG 4.49Å; G270-Y361 CarbonylContact O-C 3.52Å; G270-Y361 VanDerWaalsContact O-CA 3.29Å; G270-Y361 WeakPolarHBondContact O-CA 3.48Å; I271-Y361 HydrophobicContact CD1-CE1 4.41Å; I271-Y361 HydrophobicContact CG1-CD1 4.08Å; I271-Y361 HydrophobicContact CG1-CE1 4.41Å; I271-Y361 HydrophobicContact CG2-CD1 4.26Å; I271-Y361 HydrophobicContact CG2-CE1 4.2Å; A348-Y361 CarbonylContact C-O 3.53Å; A348-Y361 VanDerWaalsContact CA-O 3.31Å; A348-Y361 WeakPolarHBondContact CA-O 3.37Å; V349-Y361 HydrophobicContact CG1-CD2 4.27Å; V349-Y361 PolarHBondContact N-O 2.88Å; V349-Y361 WeakPolarHBondContact O-CD2 3.37Å; V349-Y361 PolarHBondContact O-N 2.97Å; A351-Y361 HydrophobicContact CB-CE2 3.66Å; M359-Y361 HydrophobicContact CB-CE1 4.41Å; M359-Y361 HydrophobicContact SD-CE1 4.19Å
362	F	96.5	Very high	92.3	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.4	172.3	-66.8	-88.7	0	0	0	108	V190 F191 Y195 I197 V269 G270 H272 E345 Y347 A348 I360	V190-F362 HydrophobicContact CG1-CB 4.48Å; V190-F362 WeakPolarHBondContact O-CD1 3.41Å; F191-F362 HydrophobicContact CD1-CB 3.85Å; F191-F362 HydrophobicContact CD1-CG 4.48Å; F191-F362 HydrophobicContact CE1-CB 4.36Å; Y195-F362 AromaticContact CD2-CZ 3.86Å; Y195-F362 HydrophobicContact CD2-CZ 3.86Å; Y195-F362 HydrophobicContact CG-CZ 4.13Å; I197-F362 HydrophobicContact CD1-CD2 3.34Å; I197-F362 HydrophobicContact CD1-CE2 3.72Å; I197-F362 HydrophobicContact CD1-CG 4.11Å; V269-F362 CarbonylContact C-O 3.57Å; V269-F362 WeakPolarHBondContact CA-O 3.33Å; G270-F362 PolarHBondContact N-O 3.33Å; G270-F362 PolarHBondContact O-N 2.86Å; H272-F362 HydrophobicContact CB-CE2 4.18Å; E345-F362 HydrophobicContact CB-CE1 4.25Å; Y347-F362 WeakPolarHBondContact O-CA 3.46Å; A348-F362 HydrophobicContact CB-CD1 3.94Å; A348-F362 HydrophobicContact CB-CE1 3.58Å; A348-F362 HydrophobicContact CB-CZ 4.18Å; I360-F362 HydrophobicContact CB-CE2 4.33Å; I360-F362 HydrophobicContact CG2-CE2 3.84Å; I360-F362 HydrophobicContact CG2-CZ 3.9Å
363	I	97.6	Very high	92.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.6	-168.6	-54.8	178.6	0	0	0	109.5	L165 L236 L246 L267 L268 V269 Y347 V349	L165-I363 WeakPolarHBondContact CD2-O 3.37Å; L236-I363 HydrophobicContact CD1-CD1 4.09Å; L246-I363 HydrophobicContact CD1-CD1 4.36Å; L246-I363 HydrophobicContact CD1-CG2 3.85Å; L246-I363 HydrophobicContact CD2-CD1 4.08Å; L267-I363 HydrophobicContact CD1-CG2 3.7Å; L267-I363 HydrophobicContact CD2-CG2 3.89Å; L267-I363 HydrophobicContact CG-CG2 3.91Å; L268-I363 WeakPolarHBondContact O-CA 3.4Å; V269-I363 HydrophobicContact CG1-CG1 4.4Å; V269-I363 HydrophobicContact CG2-CG1 4.45Å; V269-I363 HydrophobicContact CG2-CG2 4.47Å; Y347-I363 VanDerWaalsContact CD1-O 3.31Å; Y347-I363 WeakPolarHBondContact CD1-O 3.41Å; Y347-I363 PolarHBondContact O-N 2.88Å; V349-I363 HydrophobicContact CG1-CD1 3.85Å; V349-I363 HydrophobicContact CG1-CG1 4.37Å
364	G	97.7	Very high	91.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	149.8	179.1	0	0	0	0	0	112.8	L268	L268-G364 WeakPolarHBondContact CB-O 3.37Å; L268-G364 PolarHBondContact N-O 3.41Å; L268-G364 PolarHBondContact O-N 2.89Å
365	L	98	Very high	91.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	141.4	173.9	-72.7	167	0	0	0	110.4	L165 L166 P167 L250 D253 L257 Y265 S266 L267 I368 L405	L165-L365 HydrophobicContact CB-CD1 4.19Å; L165-L365 HydrophobicContact CB-CG 4.15Å; L165-L365 PolarHBondContact O-N 3.11Å; L166-L365 HydrophobicContact CD2-CD1 3.8Å; P167-L365 VanDerWaalsContact CD-O 3.3Å; P167-L365 WeakPolarHBondContact CD-O 3.48Å; P167-L365 VanDerWaalsContact CG-O 3.32Å; P167-L365 WeakPolarHBondContact CG-O 3.27Å; L250-L365 HydrophobicContact CD1-CD1 4.32Å; L250-L365 HydrophobicContact CD1-CD2 4.07Å; L250-L365 HydrophobicContact CD1-CG 4.39Å; D253-L365 HydrophobicContact CB-CD1 3.65Å; L257-L365 HydrophobicContact CD1-CD1 4.39Å; Y265-L365 HydrophobicContact CD2-CD2 4.01Å; S266-L365 CarbonylContact O-C 3.47Å; S266-L365 WeakPolarHBondContact O-CA 3.05Å; L267-L365 HydrophobicContact CB-CD2 4.39Å; L267-L365 HydrophobicContact CD1-CD2 3.96Å; L267-L365 HydrophobicContact CD1-CG 4.12Å; L365-I368 HydrophobicContact CB-CG2 4.46Å; L365-L405 HydrophobicContact CD2-CD2 4.09Å
366	I	96.1	Very high	91.1	Very high	37 Å²	37	49 Å²	49	19%	0.19	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	163.7	179.4	63.1	165.9	0	0	0	111.6	V190 Y265 S266 L268 I368	V190-I366 HydrophobicContact CG2-CG2 4.31Å; Y265-I366 WeakPolarHBondContact CA-O 3.36Å; Y265-I366 WeakPolarHBondContact CB-O 3.48Å; S266-I366 PolarHBondContact N-O 3.31Å; S266-I366 PolarHBondContact O-N 2.91Å; L268-I366 HydrophobicContact CB-CD1 4.04Å; L268-I366 HydrophobicContact CB-CG1 4.19Å; L268-I366 HydrophobicContact CB-CG2 3.97Å; L268-I366 HydrophobicContact CD1-CD1 4.34Å; L268-I366 HydrophobicContact CD2-CD1 4.4Å; L268-I366 HydrophobicContact CD2-CG2 4.08Å; I366-I368 PolarHBondContact O-N 3.2Å
367	D	92.9	Very high	90.6	Very high	64 Å²	64	48.4 Å²	48.4	34%	0.342	23%	0.23	S	C	.	.			trans	55.3	46.1	175.8	-74.2	-19.4	0	0	0	114.7	K136 L369	K136-D367 IonicContact NZ-OD1 2.99Å; K136-D367 PolarHBondContact NZ-OD1 2.66Å; D367-L369 VanDerWaalsContact C-N 3.32Å; D367-L369 PolarHBondContact O-N 2.94Å
368	I	95.1	Very high	90.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.2	-173.9	67	161.4	0	0	0	115.6	L166 P167 Y169 L257 L262 L365 I366 T370	L166-I368 HydrophobicContact CD2-CD1 4.38Å; L166-I368 HydrophobicContact CD2-CG2 4.35Å; P167-I368 HydrophobicContact CG-CD1 4.24Å; P167-I368 HydrophobicContact CG-CG1 4.14Å; P167-I368 HydrophobicContact CG-CG2 4.24Å; Y169-I368 HydrophobicContact CE2-CD1 3.98Å; Y169-I368 HydrophobicContact CE2-CG1 4.48Å; Y169-I368 VanDerWaalsContact OH-CG1 3.22Å; Y169-I368 WeakPolarHBondContact OH-CG1 3.36Å; L257-I368 HydrophobicContact CD1-CB 4.36Å; L257-I368 HydrophobicContact CD1-CG2 3.93Å; L257-I368 HydrophobicContact CD2-CB 3.94Å; L257-I368 HydrophobicContact CD2-CD1 4.07Å; L257-I368 HydrophobicContact CD2-CG2 4.29Å; L262-I368 WeakPolarHBondContact CD1-O 3.26Å; L365-I368 HydrophobicContact CB-CG2 4.46Å; I366-I368 PolarHBondContact O-N 3.2Å; I368-T370 VanDerWaalsContact C-N 3.33Å; I368-T370 PolarHBondContact O-N 3.32Å
369	L	92.8	Very high	89.7	Confident	14 Å²	14	43.7 Å²	43.7	7%	0.073	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	14	-170.5	-59.1	176.8	0	0	0	114.4	E142 V146 I149 D367 Y371	E142-L369 HydrophobicContact CB-CD1 4.27Å; V146-L369 HydrophobicContact CG2-CD1 3.51Å; V146-L369 HydrophobicContact CG2-CD2 3.63Å; V146-L369 HydrophobicContact CG2-CG 4.23Å; I149-L369 HydrophobicContact CD1-CD2 3.93Å; D367-L369 VanDerWaalsContact C-N 3.32Å; D367-L369 PolarHBondContact O-N 2.94Å; L369-Y371 PolarHBondContact O-N 2.85Å
370	T	90.5	Very high	88.9	Confident	41 Å²	41	43.6 Å²	43.6	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	102.9	-178.9	-63.1	0	0	0	0	111.2	M263 D264 I368 K376	M263-T370 HydrophobicContact CG-CG2 4.44Å; M263-T370 PolarHBondContact N-O 3.45Å; M263-T370 WeakPolarHBondContact O-CB 3.35Å; D264-T370 HydrophobicContact CB-CG2 3.99Å; I368-T370 VanDerWaalsContact C-N 3.33Å; I368-T370 PolarHBondContact O-N 3.32Å; T370-K376 HydrophobicContact CG2-CD 4.33Å
371	Y	90.9	Very high	88.3	Confident	112 Å²	112	46.4 Å²	46.4	44%	0.439	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.9	176.3	-175.2	-101.2	0	0	0	113.4	N261 L369 G373	N261-Y371 HydrophobicContact CB-CD2 4.33Å; N261-Y371 HydrophobicContact CB-CE2 3.78Å; L369-Y371 PolarHBondContact O-N 2.85Å; Y371-G373 VanDerWaalsContact C-N 3.33Å; Y371-G373 PolarHBondContact O-N 3.09Å
372	Y	87.4	Confident	87.6	Confident	25 Å²	25	49.3 Å²	49.3	10%	0.098	27%	0.272	C	S	.	.			trans	-81.6	74.7	174	-171.4	-114.6	0	0	0	111.9	N261 M263 K376 L377 R397 P398	N261-Y372 VanDerWaalsContact O-CB 3.25Å; N261-Y372 WeakPolarHBondContact O-CB 3.19Å; N261-Y372 PolarHBondContact O-N 3.18Å; M263-Y372 HydrophobicContact CG-CD2 4.25Å; M263-Y372 HydrophobicContact SD-CD2 3.23Å; M263-Y372 WeakPolarHBondContact SD-CD2 3.46Å; M263-Y372 HydrophobicContact SD-CE2 3.88Å; M263-Y372 HydrophobicContact SD-CG 4.05Å; Y372-K376 HydrophobicContact CD2-CB 3.43Å; Y372-K376 VanDerWaalsContact CD2-CB 3.43Å; Y372-K376 HydrophobicContact CD2-CG 4.36Å; Y372-K376 HydrophobicContact CE2-CB 3.8Å; Y372-K376 HydrophobicContact CG-CB 4.44Å; Y372-L377 HydrophobicContact CE1-CD2 3.66Å; Y372-L377 HydrophobicContact CE1-CG 3.89Å; Y372-L377 HydrophobicContact CE2-CG 4.39Å; Y372-L377 WeakPolarHBondContact OH-CD2 3.47Å; Y372-R397 HydrophobicContact CE1-CG 4.35Å; Y372-P398 HydrophobicContact CD1-CG 4Å; Y372-P398 HydrophobicContact CG-CG 4.03Å
373	G	85.6	Confident	86.8	Confident	17 Å²	17	51.5 Å²	51.5	18%	0.175	28%	0.281	C	S	.	.	S	Bend	trans	-98.1	-165.1	173.5	0	0	0	0	0	114.1	Y371 K375 K376 L377	Y371-G373 VanDerWaalsContact C-N 3.33Å; Y371-G373 PolarHBondContact O-N 3.09Å; G373-K375 VanDerWaalsContact C-N 3.28Å; G373-K375 PolarHBondContact O-N 3.48Å; G373-K376 PolarHBondContact O-N 2.88Å; G373-L377 PolarHBondContact O-N 2.89Å
374	M	77.8	Confident	85.9	Confident	160 Å²	160	52.9 Å²	52.9	79%	0.788	29%	0.293	S	S	*	.	H	α-helix	trans	-55.5	-38.3	178	-66	-178.7	-78.1	0	0	113.6	K376 L377 T378	M374-K376 VanDerWaalsContact C-N 3.28Å; M374-K376 PolarHBondContact O-N 2.91Å; M374-L377 PolarHBondContact O-N 3.3Å; M374-T378 PolarHBondContact O-N 3.47Å; M374-T378 PolarHBondContact O-OG1 3.24Å
375	K	80.4	Confident	85.2	Confident	151 Å²	151	59.1 Å²	59.1	66%	0.657	33%	0.33	S	S	*	.	H	α-helix	trans	-56	-44.1	175.9	-66.4	-178.7	-174.5	172.5	0	110.7	E141 G373 A379	E141-K375 IonicContact OE1-NZ 2.7Å; E141-K375 PolarHBondContact OE1-NZ 2.81Å; E141-K375 IonicContact OE2-NZ 2.66Å; E141-K375 PolarHBondContact OE2-NZ 2.91Å; G373-K375 VanDerWaalsContact C-N 3.28Å; G373-K375 PolarHBondContact O-N 3.48Å; K375-A379 PolarHBondContact O-N 2.89Å
376	K	83.4	Confident	84.5	Confident	54 Å²	54	66.4 Å²	66.4	24%	0.235	36%	0.362	C	S	.	.	H	α-helix	trans	-78.9	-38.1	-177.9	-66.9	-69.5	179.3	163.4	0	112.7	M263 D264 T370 Y372 G373 M374 T378 A379 T380 T395	M263-K376 HydrophobicContact SD-CB 4.31Å; M263-K376 HydrophobicContact SD-CD 4.45Å; M263-K376 HydrophobicContact SD-CG 4.38Å; D264-K376 IonicContact OD2-NZ 3.09Å; D264-K376 PolarHBondContact OD2-NZ 3.33Å; T370-K376 HydrophobicContact CG2-CD 4.33Å; Y372-K376 HydrophobicContact CD2-CB 3.43Å; Y372-K376 VanDerWaalsContact CD2-CB 3.43Å; Y372-K376 HydrophobicContact CD2-CG 4.36Å; Y372-K376 HydrophobicContact CE2-CB 3.8Å; Y372-K376 HydrophobicContact CG-CB 4.44Å; G373-K376 PolarHBondContact O-N 2.88Å; M374-K376 VanDerWaalsContact C-N 3.28Å; M374-K376 PolarHBondContact O-N 2.91Å; K376-T378 VanDerWaalsContact C-N 3.27Å; K376-T378 PolarHBondContact O-N 2.89Å; K376-A379 WeakPolarHBondContact O-CB 3.3Å; K376-A379 PolarHBondContact O-N 3.17Å; K376-A379 VanDerWaalsContact O-N 3.14Å; K376-T380 PolarHBondContact O-N 3.05Å; K376-T380 PolarHBondContact O-OG1 3.42Å; K376-T395 HydrophobicContact CD-CG2 4.29Å
377	L	79.6	Confident	83.7	Confident	86 Å²	86	68.6 Å²	68.6	45%	0.45	37%	0.368	S	S	.	.	H	α-helix	trans	-54	-45.7	171.1	-78.9	160.2	0	0	0	111.6	Y372 G373 M374 T380 A381	Y372-L377 HydrophobicContact CE1-CD2 3.66Å; Y372-L377 HydrophobicContact CE1-CG 3.89Å; Y372-L377 HydrophobicContact CE2-CG 4.39Å; Y372-L377 WeakPolarHBondContact OH-CD2 3.47Å; G373-L377 PolarHBondContact O-N 2.89Å; M374-L377 PolarHBondContact O-N 3.3Å; L377-T380 WeakPolarHBondContact O-CB 3.38Å; L377-T380 PolarHBondContact O-N 3.39Å; L377-A381 PolarHBondContact O-N 2.98Å
378	T	81	Confident	82.9	Confident	95 Å²	95	67.1 Å²	67.1	58%	0.583	37%	0.369	S	S	*	.	H	α-helix	trans	-64.7	-43	177	-52.6	0	0	0	0	111.4	M374 K376 T380 A381 A382	M374-T378 PolarHBondContact O-N 3.47Å; M374-T378 PolarHBondContact O-OG1 3.24Å; K376-T378 VanDerWaalsContact C-N 3.27Å; K376-T378 PolarHBondContact O-N 2.89Å; T378-T380 VanDerWaalsContact C-N 3.34Å; T378-T380 PolarHBondContact O-N 3.32Å; T378-A381 PolarHBondContact O-N 2.96Å; T378-A382 WeakPolarHBondContact O-CB 3.19Å; T378-A382 PolarHBondContact O-N 3.1Å
379	A	79.6	Confident	81.4	Confident	33 Å²	33	71.6 Å²	71.6	27%	0.273	41%	0.406	S	S	.	.	H	α-helix	trans	-63.1	-38.3	176.2	0	0	0	0	0	112.8	K375 K376 K383 T395	K375-A379 PolarHBondContact O-N 2.89Å; K376-A379 WeakPolarHBondContact O-CB 3.3Å; K376-A379 PolarHBondContact O-N 3.17Å; K376-A379 VanDerWaalsContact O-N 3.14Å; A379-K383 WeakPolarHBondContact O-CB 3.45Å; A379-K383 WeakPolarHBondContact O-CG 3.5Å; A379-K383 PolarHBondContact O-N 3.1Å; A379-T395 HydrophobicContact CB-CG2 4.42Å
380	T	75.9	Confident	80.1	Confident	26 Å²	26	80.3 Å²	80.3	16%	0.16	45%	0.446	C	S	.	.	H	α-helix	trans	-59	-51.9	172.6	-59.8	0	0	0	0	110.5	K376 L377 T378 A382 K383 A384 T395	K376-T380 PolarHBondContact O-N 3.05Å; K376-T380 PolarHBondContact O-OG1 3.42Å; L377-T380 WeakPolarHBondContact O-CB 3.38Å; L377-T380 PolarHBondContact O-N 3.39Å; T378-T380 VanDerWaalsContact C-N 3.34Å; T378-T380 PolarHBondContact O-N 3.32Å; T380-A382 PolarHBondContact O-N 2.96Å; T380-K383 PolarHBondContact O-N 3.21Å; T380-A384 WeakPolarHBondContact O-CB 3.13Å; T380-A384 PolarHBondContact O-N 3.29Å; T380-T395 WeakPolarHBondContact CG2-O 3.19Å; T380-T395 WeakPolarHBondContact OG1-CB 3.45Å; T380-T395 PolarHBondContact OG1-O 3.46Å; T380-T395 VanDerWaalsContact OG1-O 3.06Å
381	A	79.4	Confident	78.9	Confident	58 Å²	58	79.7 Å²	79.7	48%	0.479	45%	0.445	S	S	.	.	H	α-helix	trans	-59.3	-47.2	179.3	0	0	0	0	0	111.8	L377 T378 K383 A384 V385	L377-A381 PolarHBondContact O-N 2.98Å; T378-A381 PolarHBondContact O-N 2.96Å; A381-K383 PolarHBondContact O-N 2.88Å; A381-A384 PolarHBondContact O-N 2.82Å; A381-V385 WeakPolarHBondContact O-CG2 3.45Å; A381-V385 PolarHBondContact O-N 3.47Å
382	A	80.8	Confident	78	Confident	61 Å²	61	77.9 Å²	77.9	50%	0.504	44%	0.44	S	S	.	.	H	α-helix	trans	-61.9	-41.3	179	0	0	0	0	0	112.8	T378 T380 K386	T378-A382 WeakPolarHBondContact O-CB 3.19Å; T378-A382 PolarHBondContact O-N 3.1Å; T380-A382 PolarHBondContact O-N 2.96Å; A382-K386 PolarHBondContact O-N 3.21Å; A382-K386 VanDerWaalsContact O-N 3.14Å
383	K	80	Confident	77.5	Confident	48 Å²	48	77 Å²	77	21%	0.209	44%	0.437	C	S	.	.	H	α-helix	trans	-72.1	-36.7	177.7	-74.9	178.5	-171.4	166	0	112.6	A379 T380 A381 V385 K386 Y387 I393 S394 T395	A379-K383 WeakPolarHBondContact O-CB 3.45Å; A379-K383 WeakPolarHBondContact O-CG 3.5Å; A379-K383 PolarHBondContact O-N 3.1Å; T380-K383 PolarHBondContact O-N 3.21Å; A381-K383 PolarHBondContact O-N 2.88Å; K383-V385 VanDerWaalsContact C-N 3.28Å; K383-V385 PolarHBondContact O-N 3.43Å; K383-K386 PolarHBondContact O-N 2.98Å; K383-K386 VanDerWaalsContact O-N 3.16Å; K383-Y387 HydrophobicContact CB-CD2 4.22Å; K383-Y387 HydrophobicContact CG-CE2 4.38Å; K383-Y387 WeakPolarHBondContact O-CD2 3.33Å; K383-Y387 PolarHBondContact O-N 3.25Å; K383-I393 HydrophobicContact CB-CB 4.39Å; K383-I393 HydrophobicContact CB-CD1 3.91Å; K383-I393 HydrophobicContact CB-CG2 3.99Å; K383-I393 HydrophobicContact CD-CB 4.41Å; K383-I393 HydrophobicContact CD-CG2 4.4Å; K383-S394 PolarHBondContact NZ-OG 2.66Å; K383-T395 WeakPolarHBondContact CD-OG1 3.44Å; K383-T395 VanDerWaalsContact NZ-CG2 3.33Å; K383-T395 PolarHBondContact NZ-OG1 3.25Å
384	A	79.5	Confident	76.8	Confident	29 Å²	29	76.7 Å²	76.7	24%	0.24	43%	0.433	C	S	.	.	H	α-helix	trans	-62.6	-37.5	175	0	0	0	0	0	111.4	T380 A381 G388 I393	T380-A384 WeakPolarHBondContact O-CB 3.13Å; T380-A384 PolarHBondContact O-N 3.29Å; A381-A384 PolarHBondContact O-N 2.82Å; A384-G388 CarbonylContact O-C 3.12Å; A384-G388 WeakPolarHBondContact O-CA 3.45Å; A384-G388 PolarHBondContact O-N 2.85Å; A384-I393 HydrophobicContact CB-CD1 4.19Å
385	V	83.1	Confident	76.7	Confident	131 Å²	131	69.1 Å²	69.1	79%	0.794	40%	0.396	S	S	*	.	H	α-helix	trans	-65.4	-40.4	172.5	172.7	0	0	0	0	111.5	A381 K383	A381-V385 WeakPolarHBondContact O-CG2 3.45Å; A381-V385 PolarHBondContact O-N 3.47Å; K383-V385 VanDerWaalsContact C-N 3.28Å; K383-V385 PolarHBondContact O-N 3.43Å
386	K	83.1	Confident	76.9	Confident	152 Å²	152	63.1 Å²	63.1	66%	0.661	37%	0.371	S	S	*	.	H	α-helix	trans	-75	-40.7	-176.7	-176.5	174.1	178.5	179.7	0	114.1	A382 K383	A382-K386 PolarHBondContact O-N 3.21Å; A382-K386 VanDerWaalsContact O-N 3.14Å; K383-K386 PolarHBondContact O-N 2.98Å; K383-K386 VanDerWaalsContact O-N 3.16Å
387	Y	78.3	Confident	77.2	Confident	83 Å²	83	68.3 Å²	68.3	33%	0.325	39%	0.389	S	S	.	.	H	α-helix	trans	-109.6	-6.5	-171.6	-60	-71.4	0	0	0	113.5	V208 Q209 K383 A391 I393	V208-Y387 HydrophobicContact CG1-CD1 4.2Å; V208-Y387 HydrophobicContact CG1-CD2 3.97Å; V208-Y387 HydrophobicContact CG1-CE1 4.05Å; V208-Y387 HydrophobicContact CG1-CE2 3.8Å; V208-Y387 HydrophobicContact CG1-CG 4.17Å; Q209-Y387 PolarHBondContact NE2-OH 3.26Å; K383-Y387 HydrophobicContact CB-CD2 4.22Å; K383-Y387 HydrophobicContact CG-CE2 4.38Å; K383-Y387 WeakPolarHBondContact O-CD2 3.33Å; K383-Y387 PolarHBondContact O-N 3.25Å; Y387-A391 WeakPolarHBondContact O-CB 3.44Å; Y387-I393 HydrophobicContact CD2-CG2 3.92Å; Y387-I393 HydrophobicContact CG-CG2 4.45Å
388	G	75.8	Confident	77.9	Confident	34 Å²	34	64.3 Å²	64.3	35%	0.351	37%	0.369	S	S	.	.			trans	92.9	153.3	-169.5	0	0	0	0	0	111.9	A384 E390 A391	A384-G388 CarbonylContact O-C 3.12Å; A384-G388 WeakPolarHBondContact O-CA 3.45Å; A384-G388 PolarHBondContact O-N 2.85Å; G388-E390 VanDerWaalsContact C-N 3.26Å; G388-E390 PolarHBondContact O-N 2.97Å; G388-A391 WeakPolarHBondContact O-CB 3.41Å; G388-A391 PolarHBondContact O-N 3.1Å
389	A	64.7	Low	78.5	Confident	94 Å²	94	65 Å²	65	78%	0.777	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-25.6	-178.9	0	0	0	0	0	113.1
390	E	65.9	Low	79.2	Confident	197 Å²	197	69 Å²	69	92%	0.921	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-9.9	178.7	-63.8	-175.9	171.4	0	0	113.4	G388 E392	G388-E390 VanDerWaalsContact C-N 3.26Å; G388-E390 PolarHBondContact O-N 2.97Å; E390-E392 PolarHBondContact O-N 2.93Å
391	A	65.5	Low	80.1	Confident	27 Å²	27	67.7 Å²	67.7	22%	0.223	37%	0.371	C	S	.	.	S	Bend	trans	-63.6	135	177.9	0	0	0	0	0	110.1	V208 Y387 G388 I393	V208-A391 HydrophobicContact CG2-CB 4.19Å; Y387-A391 WeakPolarHBondContact O-CB 3.44Å; G388-A391 WeakPolarHBondContact O-CB 3.41Å; G388-A391 PolarHBondContact O-N 3.1Å; A391-I393 HydrophobicContact CB-CG2 4.26Å; A391-I393 WeakPolarHBondContact O-CG1 3.45Å; A391-I393 PolarHBondContact O-N 3.32Å
392	E	71.6	Confident	80.9	Confident	74 Å²	74	65 Å²	65	35%	0.346	35%	0.348	S	S	.	.			trans	-73.3	71.6	175.1	-63.4	179.5	154.2	0	0	110.4	S206 T207 V208 E390	S206-E392 VanDerWaalsContact CB-O 3.26Å; S206-E392 WeakPolarHBondContact CB-O 3.48Å; T207-E392 VanDerWaalsContact CG2-OE2 3.28Å; T207-E392 WeakPolarHBondContact CG2-OE2 3.32Å; T207-E392 PolarHBondContact N-O 3.47Å; T207-E392 PolarHBondContact OG1-OE2 3.21Å; V208-E392 PolarHBondContact N-O 2.94Å; E390-E392 PolarHBondContact O-N 2.93Å
393	I	77.3	Confident	81.6	Confident	6 Å²	6	68.4 Å²	68.4	3%	0.031	35%	0.352	C	S	.	.			trans	-79	141.5	177.3	44.5	171	0	0	0	110.6	V208 K383 A384 Y387 A391 T395 V396 R404	V208-I393 HydrophobicContact CB-CG2 4.19Å; V208-I393 HydrophobicContact CG1-CG2 4.27Å; V208-I393 HydrophobicContact CG2-CG2 3.92Å; K383-I393 HydrophobicContact CB-CB 4.39Å; K383-I393 HydrophobicContact CB-CD1 3.91Å; K383-I393 HydrophobicContact CB-CG2 3.99Å; K383-I393 HydrophobicContact CD-CB 4.41Å; K383-I393 HydrophobicContact CD-CG2 4.4Å; A384-I393 HydrophobicContact CB-CD1 4.19Å; Y387-I393 HydrophobicContact CD2-CG2 3.92Å; Y387-I393 HydrophobicContact CG-CG2 4.45Å; A391-I393 HydrophobicContact CB-CG2 4.26Å; A391-I393 WeakPolarHBondContact O-CG1 3.45Å; A391-I393 PolarHBondContact O-N 3.32Å; I393-T395 PolarHBondContact O-N 3.28Å; I393-V396 HydrophobicContact CG1-CG1 4.3Å; I393-R404 PolarHBondContact O-NH1 3.23Å
394	S	69.8	Low	82.4	Confident	12 Å²	12	67.2 Å²	67.2	8%	0.084	35%	0.346	C	S	.	.	S	Bend	trans	-59.2	-33.6	-177.5	81.3	0	0	0	0	113	M263 D264 K383 V396 Y401 R404	M263-S394 VanDerWaalsContact CE-O 3.28Å; M263-S394 WeakPolarHBondContact CE-O 3.42Å; D264-S394 WeakPolarHBondContact OD1-CB 3.22Å; D264-S394 PolarHBondContact OD1-OG 3.39Å; D264-S394 VanDerWaalsContact OD1-OG 3.06Å; K383-S394 PolarHBondContact NZ-OG 2.66Å; S394-V396 PolarHBondContact O-N 3.43Å; S394-Y401 WeakPolarHBondContact O-CD2 3.38Å; S394-Y401 VanDerWaalsContact O-CE2 3.27Å; S394-Y401 WeakPolarHBondContact O-CE2 3.41Å; S394-R404 PolarHBondContact O-NH2 2.8Å
395	T	75.8	Confident	83.2	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.006	33%	0.334	C	S	.	.			trans	-89	96.5	-178.1	50.3	0	0	0	0	110.7	M263 K376 A379 T380 K383 I393	M263-T395 HydrophobicContact CE-CG2 4.15Å; K376-T395 HydrophobicContact CD-CG2 4.29Å; A379-T395 HydrophobicContact CB-CG2 4.42Å; T380-T395 WeakPolarHBondContact CG2-O 3.19Å; T380-T395 WeakPolarHBondContact OG1-CB 3.45Å; T380-T395 PolarHBondContact OG1-O 3.46Å; T380-T395 VanDerWaalsContact OG1-O 3.06Å; K383-T395 WeakPolarHBondContact CD-OG1 3.44Å; K383-T395 VanDerWaalsContact NZ-CG2 3.33Å; K383-T395 PolarHBondContact NZ-OG1 3.25Å; I393-T395 PolarHBondContact O-N 3.28Å
396	V	84.5	Confident	83.9	Confident	24 Å²	24	60.7 Å²	60.7	15%	0.145	30%	0.303	C	S	.	.	S	Bend	trans	-134.6	172.5	174	-67.3	0	0	0	0	108.5	I393 S394 Q400 Y401	I393-V396 HydrophobicContact CG1-CG1 4.3Å; S394-V396 PolarHBondContact O-N 3.43Å; V396-Q400 HydrophobicContact CB-CB 4.33Å; V396-Q400 HydrophobicContact CG2-CB 4.16Å; V396-Y401 HydrophobicContact CG2-CD2 4.15Å; V396-Y401 HydrophobicContact CG2-CG 4.49Å
397	R	90.5	Very high	84.5	Confident	163 Å²	163	57.7 Å²	57.7	62%	0.615	29%	0.292	S	S	*	.			trans	-59.2	145.2	176.9	-68.2	-176.4	179.2	170.4	0.3	110.5	Y372 Q399 Q400 Y401	Y372-R397 HydrophobicContact CE1-CG 4.35Å; R397-Q399 VanDerWaalsContact C-N 3.32Å; R397-Q399 PolarHBondContact O-N 2.87Å; R397-Q400 HydrophobicContact CB-CG 4.46Å; R397-Q400 WeakPolarHBondContact O-CB 3.35Å; R397-Q400 PolarHBondContact O-N 3.3Å; R397-Y401 PolarHBondContact O-N 3.4Å
398	P	93.3	Very high	85.4	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.019	28%	0.278	C	S	.	.	H	α-helix	trans	-51.4	-43.2	-175	-30.1	35.6	0	0	0	114.8	A258 N261 Y372 Q400 Y401 A402	A258-P398 HydrophobicContact CB-CB 4.07Å; N261-P398 HydrophobicContact CB-CG 4.36Å; Y372-P398 HydrophobicContact CD1-CG 4Å; Y372-P398 HydrophobicContact CG-CG 4.03Å; P398-Q400 PolarHBondContact O-N 3.5Å; P398-Y401 WeakPolarHBondContact O-CB 3.24Å; P398-Y401 PolarHBondContact O-N 3.43Å; P398-A402 PolarHBondContact O-N 2.94Å
399	Q	94.6	Very high	86.4	Confident	110 Å²	110	52.7 Å²	52.7	51%	0.514	26%	0.262	S	S	.	.	H	α-helix	trans	-65.7	-37.8	178.2	-70.2	71.2	23.5	0	0	112.6	A258 R397 K403	A258-Q399 HydrophobicContact CB-CG 4.36Å; A258-Q399 PolarHBondContact O-NE2 3.4Å; R397-Q399 VanDerWaalsContact C-N 3.32Å; R397-Q399 PolarHBondContact O-N 2.87Å; Q399-K403 PolarHBondContact O-N 2.69Å; Q399-K403 VanDerWaalsContact O-N 3.15Å
400	Q	93.7	Very high	87.9	Confident	115 Å²	115	50.6 Å²	50.6	54%	0.537	24%	0.239	S	C	.	.	H	α-helix	trans	-69.3	-37.5	175.1	-67.7	173.8	-23.1	0	0	110.9	V396 R397 P398 R404	V396-Q400 HydrophobicContact CB-CB 4.33Å; V396-Q400 HydrophobicContact CG2-CB 4.16Å; R397-Q400 HydrophobicContact CB-CG 4.46Å; R397-Q400 WeakPolarHBondContact O-CB 3.35Å; R397-Q400 PolarHBondContact O-N 3.3Å; P398-Q400 PolarHBondContact O-N 3.5Å; Q400-R404 VanDerWaalsContact O-CB 3.28Å; Q400-R404 WeakPolarHBondContact O-CB 3.3Å; Q400-R404 PolarHBondContact O-N 3Å
401	Y	94.8	Very high	89.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-50.5	175.3	-169.5	-79.8	0	0	0	111.3	K204 M263 D264 Y265 S394 V396 R397 P398 R404 L405	K204-Y401 WeakPolarHBondContact CD-OH 3.28Å; K204-Y401 VanDerWaalsContact CG-OH 3.26Å; K204-Y401 WeakPolarHBondContact CG-OH 3.35Å; M263-Y401 HydrophobicContact CE-CD2 4Å; M263-Y401 HydrophobicContact CE-CE2 4.28Å; D264-Y401 WeakPolarHBondContact CA-OH 3.47Å; Y265-Y401 HydrophobicContact CD1-CE1 4.26Å; Y265-Y401 HydrophobicContact CD2-CD1 4.35Å; Y265-Y401 AromaticContact CD2-CE1 3.65Å; Y265-Y401 HydrophobicContact CD2-CE1 3.65Å; Y265-Y401 AromaticContact CE1-CD1 4Å; Y265-Y401 HydrophobicContact CE1-CD1 4Å; Y265-Y401 HydrophobicContact CE1-CE1 4.09Å; Y265-Y401 AromaticContact CE2-CD1 3.69Å; Y265-Y401 HydrophobicContact CE2-CD1 3.69Å; Y265-Y401 AromaticContact CE2-CE1 3.41Å; Y265-Y401 HydrophobicContact CE2-CE1 3.41Å; Y265-Y401 VanDerWaalsContact CE2-CE1 3.41Å; Y265-Y401 HydrophobicContact CG-CE1 4.07Å; Y265-Y401 AromaticContact CZ-CD1 3.5Å; Y265-Y401 VanDerWaalsContact CZ-CD1 3.5Å; Y265-Y401 AromaticContact CZ-CE1 3.67Å; Y265-Y401 PolarHBondContact N-OH 2.97Å; Y265-Y401 PolarHBondContact O-OH 3.45Å; S394-Y401 WeakPolarHBondContact O-CD2 3.38Å; S394-Y401 VanDerWaalsContact O-CE2 3.27Å; S394-Y401 WeakPolarHBondContact O-CE2 3.41Å; V396-Y401 HydrophobicContact CG2-CD2 4.15Å; V396-Y401 HydrophobicContact CG2-CG 4.49Å; R397-Y401 PolarHBondContact O-N 3.4Å; P398-Y401 WeakPolarHBondContact O-CB 3.24Å; P398-Y401 PolarHBondContact O-N 3.43Å; Y401-R404 PolarHBondContact O-N 2.67Å; Y401-L405 PolarHBondContact O-N 2.94Å
402	A	96.5	Very high	90.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-56.3	-55.1	179	0	0	0	0	0	111.4	A258 P398 R404 L405 V406	A258-A402 HydrophobicContact CB-CB 4.29Å; P398-A402 PolarHBondContact O-N 2.94Å; A402-R404 VanDerWaalsContact C-N 3.32Å; A402-R404 PolarHBondContact O-N 3.4Å; A402-L405 PolarHBondContact O-N 3.03Å; A402-L405 VanDerWaalsContact O-N 3.17Å; A402-V406 WeakPolarHBondContact O-CG2 3.26Å; A402-V406 PolarHBondContact O-N 3.42Å
403	K	96.4	Very high	91.8	Very high	133 Å²	133	44 Å²	44	58%	0.578	20%	0.199	S	C	*	.	H	α-helix	trans	-54.6	-46.9	178.3	179.8	173.8	173.6	176.1	0	112.1	Q399 L405 V406 E407	Q399-K403 PolarHBondContact O-N 2.69Å; Q399-K403 VanDerWaalsContact O-N 3.15Å; K403-L405 PolarHBondContact O-N 3.46Å; K403-V406 PolarHBondContact O-N 3.09Å; K403-E407 WeakPolarHBondContact CE-OE1 3.47Å; K403-E407 HydrophobicContact CG-CG 4.41Å; K403-E407 IonicContact NZ-OE1 3.65Å; K403-E407 WeakPolarHBondContact O-CB 3.36Å; K403-E407 WeakPolarHBondContact O-CG 3.16Å; K403-E407 PolarHBondContact O-N 3.2Å
404	R	95.1	Very high	92.6	Very high	23 Å²	23	45.7 Å²	45.7	9%	0.087	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-43.4	180	-177	-173.5	70.6	-158.9	-3.6	112.4	K204 G205 I393 S394 Q400 Y401 A402 E407 F408	K204-R404 PolarHBondContact O-NE 3.4Å; K204-R404 PolarHBondContact O-NH2 2.75Å; G205-R404 WeakPolarHBondContact O-CD 3.4Å; G205-R404 WeakPolarHBondContact O-CG 3.36Å; G205-R404 PolarHBondContact O-NE 2.97Å; I393-R404 PolarHBondContact O-NH1 3.23Å; S394-R404 PolarHBondContact O-NH2 2.8Å; Q400-R404 VanDerWaalsContact O-CB 3.28Å; Q400-R404 WeakPolarHBondContact O-CB 3.3Å; Q400-R404 PolarHBondContact O-N 3Å; Y401-R404 PolarHBondContact O-N 2.67Å; A402-R404 VanDerWaalsContact C-N 3.32Å; A402-R404 PolarHBondContact O-N 3.4Å; R404-E407 PolarHBondContact O-N 3.42Å; R404-F408 WeakPolarHBondContact O-CB 3.5Å; R404-F408 PolarHBondContact O-N 3.05Å
405	L	97.2	Very high	93.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-45.9	178.4	-178.8	61.6	0	0	0	110.9	L250 T254 Y265 L267 L365 Y401 A402 K403 E407 F408 V409	L250-L405 HydrophobicContact CD1-CD2 4.31Å; T254-L405 HydrophobicContact CG2-CD2 4.15Å; Y265-L405 HydrophobicContact CD2-CD2 3.92Å; Y265-L405 HydrophobicContact CE2-CD2 3.66Å; L267-L405 HydrophobicContact CB-CD1 4.39Å; L365-L405 HydrophobicContact CD2-CD2 4.09Å; Y401-L405 PolarHBondContact O-N 2.94Å; A402-L405 PolarHBondContact O-N 3.03Å; A402-L405 VanDerWaalsContact O-N 3.17Å; K403-L405 PolarHBondContact O-N 3.46Å; L405-E407 PolarHBondContact O-N 3.36Å; L405-F408 PolarHBondContact O-N 3.17Å; L405-V409 HydrophobicContact CD1-CG2 4.22Å; L405-V409 VanDerWaalsContact O-CG2 3.31Å; L405-V409 WeakPolarHBondContact O-CG2 3.39Å; L405-V409 PolarHBondContact O-N 3.44Å
406	V	97.6	Very high	92.9	Very high	22 Å²	22	51.2 Å²	51.2	13%	0.133	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-45.1	177.3	175.1	0	0	0	0	111.1	L250 A402 K403 V409 T410	L250-V406 HydrophobicContact CD2-CG2 4.25Å; L250-V406 HydrophobicContact CG-CG2 4.07Å; A402-V406 WeakPolarHBondContact O-CG2 3.26Å; A402-V406 PolarHBondContact O-N 3.42Å; K403-V406 PolarHBondContact O-N 3.09Å; V406-V409 PolarHBondContact O-N 3.3Å; V406-T410 WeakPolarHBondContact O-CB 3.35Å; V406-T410 PolarHBondContact O-N 3.12Å; V406-T410 PolarHBondContact O-OG1 3.33Å
407	E	96.7	Very high	91.6	Very high	90 Å²	90	56.9 Å²	56.9	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-39.9	177.3	-75.2	175.6	173.3	0	0	112.8	K403 R404 L405 R411	K403-E407 WeakPolarHBondContact CE-OE1 3.47Å; K403-E407 HydrophobicContact CG-CG 4.41Å; K403-E407 IonicContact NZ-OE1 3.65Å; K403-E407 WeakPolarHBondContact O-CB 3.36Å; K403-E407 WeakPolarHBondContact O-CG 3.16Å; K403-E407 PolarHBondContact O-N 3.2Å; R404-E407 PolarHBondContact O-N 3.42Å; L405-E407 PolarHBondContact O-N 3.36Å; E407-R411 WeakPolarHBondContact O-CG 3.45Å; E407-R411 PolarHBondContact O-N 3.29Å; E407-R411 VanDerWaalsContact O-N 3.11Å; E407-R411 PolarHBondContact O-NE 3.09Å
408	F	96.6	Very high	89.3	Confident	9 Å²	9	57.3 Å²	57.3	4%	0.039	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-49.9	175.1	-180	-89.4	0	0	0	111.1	L203 D226 F229 L230 R404 L405 T410 R411 A412	L203-F408 HydrophobicContact CB-CE1 4.2Å; L203-F408 HydrophobicContact CD1-CE1 4.1Å; L203-F408 HydrophobicContact CD2-CE1 3.98Å; L203-F408 HydrophobicContact CD2-CZ 4.29Å; L203-F408 HydrophobicContact CG-CE1 4.31Å; D226-F408 HydrophobicContact CB-CE2 4.19Å; D226-F408 HydrophobicContact CB-CZ 4.03Å; F229-F408 HydrophobicContact CD1-CZ 4.34Å; L230-F408 HydrophobicContact CD1-CE2 4.13Å; L230-F408 HydrophobicContact CD2-CE2 4.13Å; L230-F408 HydrophobicContact CD2-CZ 4.48Å; L230-F408 HydrophobicContact CG-CE2 4.15Å; L230-F408 HydrophobicContact CG-CZ 4.44Å; R404-F408 WeakPolarHBondContact O-CB 3.5Å; R404-F408 PolarHBondContact O-N 3.05Å; L405-F408 PolarHBondContact O-N 3.17Å; F408-T410 VanDerWaalsContact C-N 3.34Å; F408-T410 PolarHBondContact O-N 2.96Å; F408-R411 PolarHBondContact O-N 3.2Å; F408-A412 PolarHBondContact O-N 2.97Å
409	V	96.6	Very high	86.6	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-42.2	179.9	174.9	0	0	0	0	110.5	L246 I247 L250 L267 L405 V406 R411 A412 L413	L246-V409 HydrophobicContact CD2-CG1 4.18Å; I247-V409 HydrophobicContact CD1-CG1 4.32Å; L250-V409 HydrophobicContact CD2-CB 3.72Å; L250-V409 HydrophobicContact CD2-CG1 3.87Å; L250-V409 HydrophobicContact CD2-CG2 3.72Å; L267-V409 HydrophobicContact CD2-CG1 4.26Å; L267-V409 HydrophobicContact CD2-CG2 3.53Å; L405-V409 HydrophobicContact CD1-CG2 4.22Å; L405-V409 VanDerWaalsContact O-CG2 3.31Å; L405-V409 WeakPolarHBondContact O-CG2 3.39Å; L405-V409 PolarHBondContact O-N 3.44Å; V406-V409 PolarHBondContact O-N 3.3Å; V409-R411 VanDerWaalsContact C-N 3.27Å; V409-R411 PolarHBondContact O-N 3.47Å; V409-A412 WeakPolarHBondContact O-CA 3.5Å; V409-A412 WeakPolarHBondContact O-CB 3.37Å; V409-A412 PolarHBondContact O-N 3.39Å; V409-L413 WeakPolarHBondContact O-CG 3.01Å; V409-L413 PolarHBondContact O-N 3.39Å
410	T	96.5	Very high	83.6	Confident	50 Å²	50	60.8 Å²	60.8	31%	0.307	33%	0.329	S	S	.	.	H	α-helix	trans	-57.1	-40.4	175.9	-58	0	0	0	0	111.9	I247 V406 F408 L413	I247-T410 WeakPolarHBondContact CD1-OG1 3.42Å; V406-T410 WeakPolarHBondContact O-CB 3.35Å; V406-T410 PolarHBondContact O-N 3.12Å; V406-T410 PolarHBondContact O-OG1 3.33Å; F408-T410 VanDerWaalsContact C-N 3.34Å; F408-T410 PolarHBondContact O-N 2.96Å; T410-L413 PolarHBondContact O-N 3.48Å
411	R	94.9	Very high	80.7	Confident	150 Å²	150	61.3 Å²	61.3	57%	0.566	34%	0.34	S	S	*	.	H	α-helix	trans	-72.8	-26	174.9	-72.5	-176.1	-71.8	163.8	-5.8	113.4	K235 E407 F408 V409 L413	K235-R411 PolarHBondContact NZ-O 3.12Å; E407-R411 WeakPolarHBondContact O-CG 3.45Å; E407-R411 PolarHBondContact O-N 3.29Å; E407-R411 VanDerWaalsContact O-N 3.11Å; E407-R411 PolarHBondContact O-NE 3.09Å; F408-R411 PolarHBondContact O-N 3.2Å; V409-R411 VanDerWaalsContact C-N 3.27Å; V409-R411 PolarHBondContact O-N 3.47Å; R411-L413 VanDerWaalsContact C-N 3.3Å
412	A	95.1	Very high	77.9	Confident	6 Å²	6	68.4 Å²	68.4	5%	0.05	38%	0.383	C	S	.	.	H	α-helix	trans	-75.4	-18.2	176.8	0	0	0	0	0	113.1	F229 K235 L236 F408 V409	F229-A412 HydrophobicContact CE1-CB 3.57Å; F229-A412 HydrophobicContact CZ-CB 3.82Å; K235-A412 WeakPolarHBondContact CA-O 3.43Å; K235-A412 WeakPolarHBondContact CD-O 3.48Å; L236-A412 PolarHBondContact N-O 3.03Å; F408-A412 PolarHBondContact O-N 2.97Å; V409-A412 WeakPolarHBondContact O-CA 3.5Å; V409-A412 WeakPolarHBondContact O-CB 3.37Å; V409-A412 PolarHBondContact O-N 3.39Å
413	L	95.2	Very high	75.1	Confident	3 Å²	3	76.7 Å²	76.7	2%	0.016	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-74.7	142.1	174.1	-57.4	-176.1	0	0	0	111.1	L236 L238 R243 L246 I247 V409 T410 R411	L236-L413 HydrophobicContact CB-CD2 3.75Å; L236-L413 HydrophobicContact CD1-CD2 4.01Å; L236-L413 HydrophobicContact CG-CD2 4.39Å; L238-L413 HydrophobicContact CD1-CD2 3.84Å; L238-L413 HydrophobicContact CG-CD2 4.31Å; R243-L413 HydrophobicContact CB-CD1 4.15Å; R243-L413 HydrophobicContact CG-CD1 3.56Å; L246-L413 HydrophobicContact CD2-CD2 4.01Å; I247-L413 HydrophobicContact CD1-CD1 3.97Å; I247-L413 HydrophobicContact CG1-CD1 4.06Å; V409-L413 WeakPolarHBondContact O-CG 3.01Å; V409-L413 PolarHBondContact O-N 3.39Å; T410-L413 PolarHBondContact O-N 3.48Å; R411-L413 VanDerWaalsContact C-N 3.3Å
414	D	94.1	Very high	72.3	Confident	42 Å²	42	75 Å²	75	23%	0.225	43%	0.426	C	S	.	.			trans	-72.1	141.4	169.5	-172.4	71.1	0	0	0	110.9	K235 L236 Y237 R243 R352 G416	K235-D414 HydrophobicContact CB-CB 4.4Å; L236-D414 PolarHBondContact O-N 3.05Å; Y237-D414 HydrophobicContact CD1-CB 3.65Å; Y237-D414 HydrophobicContact CE1-CB 3.86Å; Y237-D414 HydrophobicContact CG-CB 4.39Å; R243-D414 PolarHBondContact NH1-O 3.49Å; R352-D414 IonicContact CZ-OD2 3.84Å; R352-D414 IonicContact NH2-OD2 3.63Å; R352-D414 PolarHBondContact NH2-OD2 3.19Å; D414-G416 WeakPolarHBondContact OD2-CA 3.45Å; D414-G416 PolarHBondContact OD2-N 3.05Å
415	N	82.4	Confident	69.6	Low	101 Å²	101	80.1 Å²	80.1	54%	0.54	46%	0.462	S	S	.	.			trans	-82.5	-14.4	-176.7	-78.6	-29.1	0	0	0	114.1	R243 D417	R243-N415 PolarHBondContact NH1-OD1 2.91Å; R243-N415 VanDerWaalsContact NH1-OD1 3.1Å; R243-N415 PolarHBondContact NH2-OD1 3.36Å; R243-N415 VanDerWaalsContact NH2-OD1 3.12Å; N415-D417 PolarHBondContact O-N 3.49Å
416	G	67.8	Low	67	Low	28 Å²	28	85.5 Å²	85.5	29%	0.289	50%	0.5	S	S	.	.			trans	64.8	-7.6	174.2	0	0	0	0	0	117.9	D414 N418	D414-G416 WeakPolarHBondContact OD2-CA 3.45Å; D414-G416 PolarHBondContact OD2-N 3.05Å; G416-N418 VanDerWaalsContact C-N 3.32Å; G416-N418 PolarHBondContact O-N 3.33Å
417	D	57.2	Low	64.4	Low	144 Å²	144	89.6 Å²	89.6	77%	0.77	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	14.7	-172	-66.5	-32.8	0	0	0	115.5	N415	N415-D417 PolarHBondContact O-N 3.49Å
418	N	42.3	Very low	61.7	Low	171 Å²	171	88.8 Å²	88.8	91%	0.914	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	18.8	-174.8	-81.5	-12.7	0	0	0	115.8	G416	G416-N418 VanDerWaalsContact C-N 3.32Å; G416-N418 PolarHBondContact O-N 3.33Å
419	A	37.9	Very low	58.8	Low	79 Å²	79	92.6 Å²	92.6	65%	0.653	59%	0.593	S	S	*	*	S	Bend	trans	-138.2	50.9	-178.5	0	0	0	0	0	114.7
420	S	32.1	Very low	55.9	Low	108 Å²	108	95.8 Å²	95.8	76%	0.755	63%	0.627	S	S	*	*	S	Bend	trans	171.9	85.8	149.8	54.6	0	0	0	0	111.8
421	T	31.9	Very low	53.3	Low	126 Å²	126	101.6 Å²	101.6	77%	0.773	66%	0.656	S	S	*	*			trans	-168.2	76.8	144.4	-63	0	0	0	0	107.3	Q423	T421-Q423 HydrophobicContact CG2-CG 4.47Å
422	V	36.2	Very low	50.5	Low	148 Å²	148	99.9 Å²	99.9	90%	0.897	66%	0.663	S	S	*	*			trans	-100.9	82.6	152.4	179.9	0	0	0	0	104.8	S424	V422-S424 PolarHBondContact O-N 3.12Å
423	Q	36.4	Very low	48	Very low	176 Å²	176	108 Å²	108	82%	0.822	70%	0.704	S	S	*	*			trans	-79.1	106.4	158.8	-85.9	178.8	-8.6	0	0	106.3	T421	T421-Q423 HydrophobicContact CG2-CG 4.47Å
424	S	38.2	Very low	45.3	Very low	96 Å²	96	115 Å²	115	67%	0.671	74%	0.74	S	S	*	*			trans	-51.7	135.5	165.3	45.2	0	0	0	0	110.1	V422 S426	V422-S424 PolarHBondContact O-N 3.12Å; S424-S426 PolarHBondContact O-N 2.85Å; S424-S426 VanDerWaalsContact O-N 3.07Å
425	P	38	Very low	42.8	Very low	132 Å²	132	116.6 Å²	116.6	86%	0.857	76%	0.759	S	S	*	*			trans	-70.9	108.7	176.7	28.1	-29.7	0	0	0	108.8	A427	P425-A427 PolarHBondContact O-N 3.14Å
426	S	43.6	Very low	40.7	Very low	112 Å²	112	120 Å²	120	78%	0.783	77%	0.772	S	S	*	*			trans	-73.3	110.3	163.1	58.7	0	0	0	0	108.1	S424 G428	S424-S426 PolarHBondContact O-N 2.85Å; S424-S426 VanDerWaalsContact O-N 3.07Å; S426-G428 PolarHBondContact O-N 3.3Å
427	A	42	Very low	39.3	Very low	109 Å²	109	126.1 Å²	126.1	90%	0.901	79%	0.793	S	S	*	*			trans	-60	122.1	163.2	0	0	0	0	0	109	P425	P425-A427 PolarHBondContact O-N 3.14Å
428	G	40.3	Very low	38.6	Very low	72 Å²	72	126.3 Å²	126.3	74%	0.742	79%	0.789	S	S	*	*			trans	-175.8	102	179.6	0	0	0	0	0	108.7	S426	S426-G428 PolarHBondContact O-N 3.3Å
429	G	35.4	Very low	38.6	Very low	89 Å²	89	125.5 Å²	125.5	92%	0.918	78%	0.78	S	S	*	*			trans	-62.7	150.5	-163.7	0	0	0	0	0	115.4
430	G	35.4	Very low	38.8	Very low	69 Å²	69	130.4 Å²	130.4	71%	0.711	79%	0.789	S	S	*	*			trans	-161.9	97.1	165	0	0	0	0	0	107.8
431	D	43.4	Very low	39.5	Very low	172 Å²	172	128.9 Å²	128.9	92%	0.92	79%	0.79	S	S	*	*			trans	-107.7	109.8	159.3	-115.1	-10.6	0	0	0	106.9
432	T	36.3	Very low	40.3	Very low	115 Å²	115	131.9 Å²	131.9	71%	0.706	80%	0.795	S	S	*	*			trans	-98.6	128.3	167.9	-50.8	0	0	0	0	105.5
433	L	41.9	Very low	40.9	Very low	175 Å²	175	134.2 Å²	134.2	92%	0.916	82%	0.819	S	S	*	*			trans	-155.9	127.5	146.4	-104.9	162.7	0	0	0	110.5
434	I	39.4	Very low	41.2	Very low	150 Å²	150	132.2 Å²	132.2	77%	0.769	82%	0.818	S	S	*	*			trans	-82.7	137.1	-178.5	-60.5	155.4	0	0	0	107.8
435	A	39.9	Very low	41.3	Very low	76 Å²	76	134.1 Å²	134.1	63%	0.628	83%	0.826	S	S	*	*			trans	170.5	133.6	131	0	0	0	0	0	112.5
436	E	39.6	Very low	41.5	Very low	173 Å²	173	134.2 Å²	134.2	81%	0.808	82%	0.824	S	S	*	*			trans	75.7	110	139.7	-70.1	172.7	163.9	0	0	121.3
437	E	38.4	Very low	41.4	Very low	157 Å²	157	135.5 Å²	135.5	73%	0.734	83%	0.827	S	S	*	*				76.2	121.4	123.9	-69.4	-172.5	153.9	0	0	122
438	Q	41.6	Very low	41.3	Very low	147 Å²	147	137.1 Å²	137.1	69%	0.687	82%	0.822	S	S	*	*			trans	81.5	107.3	132.6	-78.3	-174.2	-29.6	0	0	120.6
439	E	43	Very low	41.4	Very low	155 Å²	155	141.5 Å²	141.5	72%	0.724	83%	0.827	S	S	*	*				85.7	132.5	119.4	-96.5	175.2	176.8	0	0	121.6
440	E	41.4	Very low	41.8	Very low	182 Å²	182	145.2 Å²	145.2	85%	0.85	82%	0.821	S	S	*	*			trans	83.5	123.2	149.8	-68.5	-175.6	170.3	0	0	120.8
441	G	46.9	Very low	42.3	Very low	75 Å²	75	151.1 Å²	151.1	77%	0.773	83%	0.83	S	S	*	*				128.2	83.1	124.6	0	0	0	0	0	117.3
442	E	48.4	Very low	42.3	Very low	189 Å²	189	149.3 Å²	149.3	88%	0.883	82%	0.822	S	S	*	*			trans	15.2	120.5	142.2	-66.5	175.9	140.4	0	0	119.6
443	S	50.5	Low	42.8	Very low	198 Å²	198	152.5 Å²	152.5	100%	1.385	83%	0.833	S	S	*	*				-171	0	102.3	19	0	0	0	0	111.7

Retrieved 443 of 443 residues in 291.8 ms (Link to these results)

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