A0A077Z2Z9_TRITR Loading...

Thyroid hormone receptor

AlphaFold DB , UniProt , Accession A0A077Z2Z9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 358 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.3	Very low	36.7	Very low	239 Å²	239	150.7 Å²	150.7	100%	1.177	84%	0.837	S	S	*	*				0	89.9	0	-69.3	178.3	170.5	0	0	106.6
2	V	33.1	Very low	36.4	Very low	147 Å²	147	146.3 Å²	146.3	89%	0.891	83%	0.825	S	S	*	*			trans	-102.1	110.5	179.9	179.7	0	0	0	0	105.7
3	S	34.5	Very low	36.1	Very low	102 Å²	102	147.5 Å²	147.5	71%	0.713	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-67.6	145.4	-179.4	-68.5	0	0	0	0	110.8	E5	S3-E5 PolarHBondContact O-N 2.79Å
4	P	41.9	Very low	36	Very low	117 Å²	117	149.5 Å²	149.5	76%	0.76	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-71.5	131.4	-176.3	-11.2	27.9	0	0	0	111
5	E	40.3	Very low	35.9	Very low	183 Å²	183	144.3 Å²	144.3	86%	0.855	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-55.8	131	178.1	-65.7	171.1	153.9	0	0	111.2	S3 Q7	S3-E5 PolarHBondContact O-N 2.79Å; E5-Q7 PolarHBondContact O-N 2.76Å; E5-Q7 VanDerWaalsContact O-N 3.13Å
6	H	38.7	Very low	36	Very low	176 Å²	176	150.9 Å²	150.9	82%	0.815	83%	0.827	S	S	*	*			trans	-64.6	109.5	172.5	-76.7	54.8	0	0	0	108.2	D8	H6-D8 PolarHBondContact O-N 3.17Å
7	Q	38.1	Very low	36	Very low	191 Å²	191	146.2 Å²	146.2	89%	0.893	82%	0.822	S	S	*	*			trans	-72.2	98.6	169	-73.6	-177.8	-6.9	0	0	108	E5 G9	E5-Q7 PolarHBondContact O-N 2.76Å; E5-Q7 VanDerWaalsContact O-N 3.13Å; Q7-G9 PolarHBondContact O-N 2.67Å; Q7-G9 VanDerWaalsContact O-N 3.13Å
8	D	36.8	Very low	36.1	Very low	145 Å²	145	151.1 Å²	151.1	78%	0.775	83%	0.825	S	S	*	*			trans	-53.9	115.9	171.5	-75.3	-39.9	0	0	0	109.9	H6 V10	H6-D8 PolarHBondContact O-N 3.17Å; D8-V10 PolarHBondContact O-N 3.37Å
9	G	34.3	Very low	36.4	Very low	71 Å²	71	149.2 Å²	149.2	73%	0.732	82%	0.821	S	S	*	*			trans	-63.3	97.8	178.7	0	0	0	0	0	110.8	Q7 I11	Q7-G9 PolarHBondContact O-N 2.67Å; Q7-G9 VanDerWaalsContact O-N 3.13Å; G9-I11 PolarHBondContact O-N 3.14Å
10	V	32	Very low	37.1	Very low	136 Å²	136	152.1 Å²	152.1	82%	0.824	83%	0.825	S	S	*	*			trans	-68.2	102.5	169.1	-175.8	0	0	0	0	108.3	D8 S12	D8-V10 PolarHBondContact O-N 3.37Å; V10-S12 PolarHBondContact O-N 2.9Å
11	I	32.8	Very low	37.7	Very low	151 Å²	151	148.9 Å²	148.9	77%	0.774	81%	0.814	S	S	*	*			trans	-68	98	174.9	-57.4	174.6	0	0	0	108	G9 L13	G9-I11 PolarHBondContact O-N 3.14Å; I11-L13 PolarHBondContact O-N 2.86Å; I11-L13 VanDerWaalsContact O-N 3.08Å
12	S	33.5	Very low	38.3	Very low	98 Å²	98	147.8 Å²	147.8	69%	0.685	80%	0.803	S	S	*	*			trans	-70.7	101.1	173	-173.6	0	0	0	0	109.3	V10 Q14	V10-S12 PolarHBondContact O-N 2.9Å; S12-Q14 VanDerWaalsContact C-N 3.29Å; S12-Q14 PolarHBondContact O-N 2.87Å
13	L	31.5	Very low	39.4	Very low	161 Å²	161	145.5 Å²	145.5	84%	0.843	79%	0.792	S	S	*	*			trans	-64.1	91.6	169.5	-72.3	166.5	0	0	0	108.6	I11 G15	I11-L13 PolarHBondContact O-N 2.86Å; I11-L13 VanDerWaalsContact O-N 3.08Å; L13-G15 VanDerWaalsContact C-N 3.32Å; L13-G15 PolarHBondContact O-N 3.11Å
14	Q	34.7	Very low	41	Very low	176 Å²	176	149.1 Å²	149.1	82%	0.822	80%	0.798	S	S	*	*			trans	-62.4	96	169.8	-70.6	-177.2	-0.3	0	0	108.3	S12 R16	S12-Q14 VanDerWaalsContact C-N 3.29Å; S12-Q14 PolarHBondContact O-N 2.87Å; Q14-R16 PolarHBondContact O-N 3.18Å
15	G	34.6	Very low	42.6	Very low	71 Å²	71	149 Å²	149	73%	0.732	80%	0.796	S	S	*	*			trans	-52.8	116.1	171.3	0	0	0	0	0	108.6	L13 G17	L13-G15 VanDerWaalsContact C-N 3.32Å; L13-G15 PolarHBondContact O-N 3.11Å; G15-G17 VanDerWaalsContact C-N 3.34Å; G15-G17 PolarHBondContact O-N 3.27Å
16	R	38.6	Very low	44.6	Very low	250 Å²	250	149.8 Å²	149.8	94%	0.943	79%	0.793	S	S	*	*			trans	-53.5	100.4	175.5	-67.8	-176.7	-172.3	-172	3	107.6	Q14 R18	Q14-R16 PolarHBondContact O-N 3.18Å; R16-R18 PolarHBondContact O-N 3.3Å
17	G	35	Very low	46.8	Very low	71 Å²	71	144.3 Å²	144.3	73%	0.732	77%	0.772	S	S	*	*			trans	-56.9	110.1	177.3	0	0	0	0	0	107.7	G15 P19	G15-G17 VanDerWaalsContact C-N 3.34Å; G15-G17 PolarHBondContact O-N 3.27Å; G17-P19 VanDerWaalsContact O-N 3.15Å
18	R	37.3	Very low	49.1	Very low	235 Å²	235	135.7 Å²	135.7	89%	0.887	73%	0.733	S	S	*	*			trans	-51.8	124.2	174.2	-161.9	177.6	-172.7	-172.2	2.6	106.8	R16 K20	R16-R18 PolarHBondContact O-N 3.3Å; R18-K20 PolarHBondContact O-N 2.86Å; R18-K20 VanDerWaalsContact O-N 3.16Å
19	P	42.4	Very low	51.6	Low	114 Å²	114	134.8 Å²	134.8	74%	0.74	74%	0.738	S	S	*	*			trans	-54.9	128.8	-177.7	19.3	-29.6	0	0	0	107.7	G17 S21	G17-P19 VanDerWaalsContact O-N 3.15Å; P19-S21 PolarHBondContact O-N 2.79Å
20	K	50.2	Low	54.1	Low	207 Å²	207	137 Å²	137	90%	0.9	73%	0.725	S	S	*	*			trans	-62.1	87.7	174	-70.9	-178.5	-180	175	0	106.5	R18 K22	R18-K20 PolarHBondContact O-N 2.86Å; R18-K20 VanDerWaalsContact O-N 3.16Å; K20-K22 PolarHBondContact O-N 2.82Å
21	S	50.1	Low	56.7	Low	85 Å²	85	131.4 Å²	131.4	59%	0.594	69%	0.69	S	S	*	*			trans	-49	133.8	162.5	51.2	0	0	0	0	105.6	P19 C23	P19-S21 PolarHBondContact O-N 2.79Å; S21-C23 PolarHBondContact O-N 2.85Å; S21-C23 PolarHBondContact OG-SG 3.33Å
22	K	54.2	Low	59	Low	217 Å²	217	129 Å²	129	94%	0.943	68%	0.679	S	S	*	*			trans	-63.3	70.5	171.6	-68.9	-180	178.7	177.4	0	107.6	K20 Q24	K20-K22 PolarHBondContact O-N 2.82Å; K22-Q24 PolarHBondContact O-N 3.23Å; K22-Q24 VanDerWaalsContact O-N 3.13Å
23	C	55.9	Low	61.4	Low	98 Å²	98	128.1 Å²	128.1	66%	0.662	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-62.1	119.6	177.6	-75.2	0	0	0	0	105.2	S21	S21-C23 PolarHBondContact O-N 2.85Å; S21-C23 PolarHBondContact OG-SG 3.33Å
24	Q	68.5	Low	63.9	Low	179 Å²	179	125.3 Å²	125.3	84%	0.836	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-46.4	135.1	167.7	-80.2	174.3	-22.4	0	0	108.3	K22 Y26	K22-Q24 PolarHBondContact O-N 3.23Å; K22-Q24 VanDerWaalsContact O-N 3.13Å; Q24-Y26 PolarHBondContact O-N 3.12Å
25	P	75.4	Confident	66.1	Low	113 Å²	113	124.8 Å²	124.8	73%	0.734	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-50.8	135.3	176.8	-23.9	32	0	0	0	109.8	V27	P25-V27 PolarHBondContact O-N 2.98Å; P25-V27 VanDerWaalsContact O-N 3.17Å
26	Y	82.4	Confident	68.4	Low	200 Å²	200	122.9 Å²	122.9	78%	0.784	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-59.3	121	174.4	167.5	-102.5	0	0	0	109.6	Q24 P28	Q24-Y26 PolarHBondContact O-N 3.12Å; Y26-P28 HydrophobicContact CD1-CG 4.48Å; Y26-P28 HydrophobicContact CE1-CB 4.39Å; Y26-P28 HydrophobicContact CE1-CG 3.86Å
27	V	84.3	Confident	70.6	Confident	62 Å²	62	114.1 Å²	114.1	38%	0.376	62%	0.618	S	S	.	*			trans	-108.5	118.2	174.3	-177.5	0	0	0	0	107.4	P25 M31 L33	P25-V27 PolarHBondContact O-N 2.98Å; P25-V27 VanDerWaalsContact O-N 3.17Å; V27-M31 HydrophobicContact CG1-CB 3.98Å; V27-L33 HydrophobicContact CB-CD1 4.16Å; V27-L33 HydrophobicContact CG1-CD1 3.56Å; V27-L33 HydrophobicContact CG1-CG 3.99Å; V27-L33 HydrophobicContact CG2-CD1 3.5Å
28	P	86.2	Confident	73.3	Confident	10 Å²	10	114.2 Å²	114.2	7%	0.065	60%	0.6	C	S	.	*			trans	-57.3	139.9	173.7	-21.2	31.3	0	0	0	111.1	Y26 Y30 M31	Y26-P28 HydrophobicContact CD1-CG 4.48Å; Y26-P28 HydrophobicContact CE1-CB 4.39Å; Y26-P28 HydrophobicContact CE1-CG 3.86Å; P28-Y30 HydrophobicContact CB-CD1 3.8Å; P28-Y30 HydrophobicContact CB-CD2 4.3Å; P28-Y30 HydrophobicContact CB-CE1 3.32Å; P28-Y30 HydrophobicContact CB-CE2 3.85Å; P28-Y30 HydrophobicContact CB-CG 4.28Å; P28-Y30 HydrophobicContact CG-CE1 4.23Å; P28-Y30 HydrophobicContact CG-CE2 4.34Å; P28-Y30 PolarHBondContact O-N 2.89Å; P28-Y30 VanDerWaalsContact O-N 3.1Å; P28-M31 VanDerWaalsContact O-CB 3.3Å; P28-M31 WeakPolarHBondContact O-CB 3.36Å; P28-M31 PolarHBondContact O-N 3.16Å
29	S	89.1	Confident	76.1	Confident	126 Å²	126	107.3 Å²	107.3	88%	0.881	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-23.8	-174.6	54.1	0	0	0	0	114.8	M31	S29-M31 PolarHBondContact O-N 3.43Å
30	Y	87.7	Confident	78.7	Confident	118 Å²	118	102 Å²	102	46%	0.463	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.7	-9.2	176	58.5	-105.2	0	0	0	113.2	P28 Y50 M55	P28-Y30 HydrophobicContact CB-CD1 3.8Å; P28-Y30 HydrophobicContact CB-CD2 4.3Å; P28-Y30 HydrophobicContact CB-CE1 3.32Å; P28-Y30 HydrophobicContact CB-CE2 3.85Å; P28-Y30 HydrophobicContact CB-CG 4.28Å; P28-Y30 HydrophobicContact CG-CE1 4.23Å; P28-Y30 HydrophobicContact CG-CE2 4.34Å; P28-Y30 PolarHBondContact O-N 2.89Å; P28-Y30 VanDerWaalsContact O-N 3.1Å; Y30-Y50 AromaticContact CD2-CD2 3.88Å; Y30-Y50 HydrophobicContact CD2-CD2 3.88Å; Y30-Y50 AromaticContact CD2-CE2 3.98Å; Y30-Y50 HydrophobicContact CD2-CE2 3.98Å; Y30-Y50 AromaticContact CE2-CD2 3.48Å; Y30-Y50 HydrophobicContact CE2-CD2 3.48Å; Y30-Y50 VanDerWaalsContact CE2-CD2 3.48Å; Y30-Y50 HydrophobicContact CE2-CE2 4.03Å; Y30-Y50 AromaticContact CZ-CD2 3.89Å; Y30-Y50 PolarHBondContact OH-N 3.35Å; Y30-M55 HydrophobicContact CE2-CE 4.44Å
31	M	85.5	Confident	81	Confident	18 Å²	18	95.4 Å²	95.4	9%	0.089	53%	0.528	C	S	.	.			trans	-95.1	114.2	-176.9	-134.6	-176.7	-168.3	0	0	109.5	V27 P28 S29 A47 M55	V27-M31 HydrophobicContact CG1-CB 3.98Å; P28-M31 VanDerWaalsContact O-CB 3.3Å; P28-M31 WeakPolarHBondContact O-CB 3.36Å; P28-M31 PolarHBondContact O-N 3.16Å; S29-M31 PolarHBondContact O-N 3.43Å; M31-A47 HydrophobicContact CE-CB 4.04Å; M31-A47 WeakPolarHBondContact CE-O 3.48Å; M31-M55 HydrophobicContact CE-CE 4.21Å; M31-M55 HydrophobicContact CE-SD 3.53Å; M31-M55 VanDerWaalsContact CE-SD 3.53Å
32	N	83	Confident	83.3	Confident	101 Å²	101	91.5 Å²	91.5	54%	0.54	50%	0.5	S	S	.	.			trans	-90.7	114.8	174.4	-171.8	-25.1	0	0	0	109.8	S34	N32-S34 WeakPolarHBondContact OD1-CB 3.35Å; N32-S34 PolarHBondContact OD1-N 3.18Å; N32-S34 PolarHBondContact OD1-OG 2.85Å
33	L	82.1	Confident	85.4	Confident	78 Å²	78	81.4 Å²	81.4	41%	0.408	46%	0.457	S	S	.	.			trans	-96.9	3.9	-179.6	-65.3	177.3	0	0	0	114	V27 N35 G36 P37	V27-L33 HydrophobicContact CB-CD1 4.16Å; V27-L33 HydrophobicContact CG1-CD1 3.56Å; V27-L33 HydrophobicContact CG1-CG 3.99Å; V27-L33 HydrophobicContact CG2-CD1 3.5Å; L33-N35 PolarHBondContact O-N 2.75Å; L33-N35 VanDerWaalsContact O-N 3.16Å; L33-G36 PolarHBondContact O-N 2.95Å; L33-P37 HydrophobicContact CD2-CB 4.14Å
34	S	84.3	Confident	87.4	Confident	102 Å²	102	79.4 Å²	79.4	71%	0.713	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-31.9	-178.9	-60.5	0	0	0	0	112.7	N32	N32-S34 WeakPolarHBondContact OD1-CB 3.35Å; N32-S34 PolarHBondContact OD1-N 3.18Å; N32-S34 PolarHBondContact OD1-OG 2.85Å
35	N	81.7	Confident	88.8	Confident	165 Å²	165	72 Å²	72	88%	0.882	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	20.6	177.1	-63.9	-27.2	0	0	0	112.7	L33	L33-N35 PolarHBondContact O-N 2.75Å; L33-N35 VanDerWaalsContact O-N 3.16Å
36	G	82.7	Confident	89.7	Confident	31 Å²	31	68.8 Å²	68.8	32%	0.32	40%	0.402	S	S	.	.			trans	83.6	176.8	-170.8	0	0	0	0	0	113.3	L33	L33-G36 PolarHBondContact O-N 2.95Å
37	P	84.6	Confident	90.3	Very high	67 Å²	67	59.6 Å²	59.6	44%	0.435	37%	0.367	S	S	.	.	S	Bend	trans	-69.1	137.7	-179.5	28.3	-33.2	0	0	0	111.1	L33 A46	L33-P37 HydrophobicContact CD2-CB 4.14Å; P37-A46 HydrophobicContact CB-CB 4.07Å; P37-A46 HydrophobicContact CG-CB 3.64Å
38	E	91.7	Very high	90.8	Very high	72 Å²	72	59.5 Å²	59.5	34%	0.336	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-55.9	143.9	174.2	-69.2	-176.1	-164.7	0	0	111.6	A47 M55	E38-A47 WeakPolarHBondContact O-CB 3.28Å; E38-A47 PolarHBondContact O-N 3.49Å; E38-M55 HydrophobicContact CB-CG 3.85Å; E38-M55 HydrophobicContact CB-SD 4.35Å; E38-M55 WeakPolarHBondContact OE2-CE 3.5Å; E38-M55 WeakPolarHBondContact OE2-CG 3.48Å
39	P	95.5	Very high	91.2	Very high	90 Å²	90	59 Å²	59	58%	0.584	36%	0.364	S	S	*	.	B	Isolated β-bridge	trans	-73.6	138.8	-179.8	29.5	-34	0	0	0	111.1	V41	P39-V41 PolarHBondContact O-N 2.93Å
40	C	98	Very high	91.5	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.014	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-61.9	120.6	172.6	171.9	0	0	0	0	110	V42 C43 G44 D45 M55 T56 C57	C40-V42 PolarHBondContact O-N 3.21Å; C40-C43 PolarHBondContact O-N 3Å; C40-C43 VanDerWaalsContact O-N 3.16Å; C40-G44 WeakPolarHBondContact O-CA 3.44Å; C40-G44 PolarHBondContact O-N 3.44Å; C40-D45 WeakPolarHBondContact CA-O 3.44Å; C40-D45 WeakPolarHBondContact CB-O 3.12Å; C40-D45 PolarHBondContact N-O 3.34Å; C40-M55 WeakPolarHBondContact CA-O 3.25Å; C40-T56 VanDerWaalsContact SG-CA 3.58Å; C40-C57 HydrophobicContact CB-CB 4Å; C40-C57 PolarHBondContact SG-N 3.16Å; C40-C57 VanDerWaalsContact SG-N 3.36Å
41	V	98	Very high	92	Very high	69 Å²	69	54.7 Å²	54.7	42%	0.418	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.8	-176.8	-61.7	0	0	0	0	114.5	P39 C54 M55 T56 V103	P39-V41 PolarHBondContact O-N 2.93Å; V41-C54 HydrophobicContact CG2-CB 3.95Å; V41-M55 HydrophobicContact CG1-CB 4.42Å; V41-M55 WeakPolarHBondContact CG2-O 3.05Å; V41-M55 PolarHBondContact N-O 3.19Å; V41-T56 HydrophobicContact CG2-CG2 4.08Å; V41-V103 HydrophobicContact CG2-CB 3.98Å; V41-V103 HydrophobicContact CG2-CG1 4.43Å; V41-V103 HydrophobicContact CG2-CG2 3.76Å
42	V	98.6	Very high	92.6	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.024	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-41.2	178.3	179.3	0	0	0	0	112.6	C40 T56 C60 I84 R96 K99 V103 M105	C40-V42 PolarHBondContact O-N 3.21Å; V42-T56 HydrophobicContact CG2-CG2 4.11Å; V42-C60 HydrophobicContact CB-CB 4.21Å; V42-C60 HydrophobicContact CG1-CB 4.37Å; V42-C60 HydrophobicContact CG2-CB 4.38Å; V42-I84 HydrophobicContact CG1-CG2 4.19Å; V42-I84 VanDerWaalsContact O-CG2 3.31Å; V42-I84 WeakPolarHBondContact O-CG2 3.35Å; V42-R96 HydrophobicContact CG1-CG 4.45Å; V42-K99 HydrophobicContact CG1-CB 4.37Å; V42-K99 HydrophobicContact CG1-CG 4.14Å; V42-V103 HydrophobicContact CG2-CG2 3.76Å; V42-M105 HydrophobicContact CG2-SD 4.12Å
43	C	98.4	Very high	93.3	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.034	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	1.9	-168.1	70.7	0	0	0	0	115.2	C40 D45 C57 C60 I84 D85 K86 R89	C40-C43 PolarHBondContact O-N 3Å; C40-C43 VanDerWaalsContact O-N 3.16Å; C43-D45 PolarHBondContact O-N 2.84Å; C43-D45 VanDerWaalsContact O-N 3.12Å; C43-D45 VanDerWaalsContact SG-CB 3.59Å; C43-C57 VanDerWaalsContact SG-SG 3.68Å; C43-C60 VanDerWaalsContact SG-SG 3.6Å; C43-I84 HydrophobicContact CB-CG2 4.12Å; C43-D85 CarbonylContact O-C 3.59Å; C43-D85 VanDerWaalsContact O-CA 3.22Å; C43-D85 WeakPolarHBondContact O-CA 3.3Å; C43-K86 PolarHBondContact O-N 3.12Å; C43-R89 HydrophobicContact CB-CB 4.13Å; C43-R89 PolarHBondContact SG-NH1 3.4Å; C43-R89 VanDerWaalsContact SG-NH1 3.42Å
44	G	97.3	Very high	94	Very high	55 Å²	55	56.8 Å²	56.8	57%	0.567	33%	0.325	S	S	*	.	S	Bend	trans	72.4	-3.7	-179.7	0	0	0	0	0	116.1	C40	C40-G44 WeakPolarHBondContact O-CA 3.44Å; C40-G44 PolarHBondContact O-N 3.44Å
45	D	97.3	Very high	94.6	Very high	23 Å²	23	52.3 Å²	52.3	12%	0.123	29%	0.293	C	S	.	.	S	Bend	trans	-65.2	160.3	172.3	-164.2	15.2	0	0	0	111.6	C40 C43 A47 C57 K86 R89	C40-D45 WeakPolarHBondContact CA-O 3.44Å; C40-D45 WeakPolarHBondContact CB-O 3.12Å; C40-D45 PolarHBondContact N-O 3.34Å; C43-D45 PolarHBondContact O-N 2.84Å; C43-D45 VanDerWaalsContact O-N 3.12Å; C43-D45 VanDerWaalsContact SG-CB 3.59Å; D45-A47 PolarHBondContact O-N 3.05Å; D45-C57 HydrophobicContact CB-CB 4.13Å; D45-K86 HydrophobicContact CB-CB 4.19Å; D45-K86 HydrophobicContact CB-CD 4.19Å; D45-K86 HydrophobicContact CB-CG 4.03Å; D45-K86 VanDerWaalsContact OD1-CD 3.29Å; D45-K86 WeakPolarHBondContact OD1-CD 3.46Å; D45-K86 WeakPolarHBondContact OD1-CE 3.31Å; D45-K86 IonicContact OD1-NZ 2.86Å; D45-K86 PolarHBondContact OD1-NZ 2.63Å; D45-R89 IonicContact OD2-CZ 3.52Å; D45-R89 IonicContact OD2-NH1 3.42Å; D45-R89 PolarHBondContact OD2-NH1 3.42Å; D45-R89 IonicContact OD2-NH2 2.74Å; D45-R89 PolarHBondContact OD2-NH2 3.36Å
46	A	94.9	Very high	95.4	Very high	47 Å²	47	44.5 Å²	44.5	39%	0.388	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-59.1	120.8	-179.8	0	0	0	0	0	111.3	P37 C57	P37-A46 HydrophobicContact CB-CB 4.07Å; P37-A46 HydrophobicContact CG-CB 3.64Å; A46-C57 VanDerWaalsContact O-CB 3.23Å; A46-C57 WeakPolarHBondContact O-CB 3.45Å
47	A	95.7	Very high	96.1	Very high	6 Å²	6	43.1 Å²	43.1	5%	0.05	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-73.8	154.7	176.9	0	0	0	0	0	111.2	M31 E38 D45 M55 T56	M31-A47 HydrophobicContact CE-CB 4.04Å; M31-A47 WeakPolarHBondContact CE-O 3.48Å; E38-A47 WeakPolarHBondContact O-CB 3.28Å; E38-A47 PolarHBondContact O-N 3.49Å; D45-A47 PolarHBondContact O-N 3.05Å; A47-M55 HydrophobicContact CB-CG 3.56Å; A47-M55 HydrophobicContact CB-SD 3.58Å; A47-M55 VanDerWaalsContact CB-SD 3.58Å; A47-T56 WeakPolarHBondContact CA-O 3.29Å
48	T	94	Very high	96.6	Very high	61 Å²	61	44.3 Å²	44.3	37%	0.374	24%	0.237	S	C	.	.			trans	-112.6	3.4	175.2	55.1	0	0	0	0	112.9	H51 T56 E58	T48-H51 PolarHBondContact OG1-NE2 3.35Å; T48-T56 PolarHBondContact N-O 2.99Å; T48-E58 HydrophobicContact CG2-CG 3.88Å; T48-E58 PolarHBondContact OG1-OE1 3.47Å
49	G	94.8	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.1	-167.4	178.8	0	0	0	0	0	112.1	H51 M55 T56	G49-H51 PolarHBondContact O-CD2 2.94Å; G49-H51 PolarHBondContact O-N 3.33Å; G49-M55 VanDerWaalsContact O-SD 3.41Å; G49-T56 PolarHBondContact O-N 3.29Å; G49-T56 VanDerWaalsContact O-N 3.13Å
50	Y	96	Very high	97.1	Very high	127 Å²	127	37.7 Å²	37.7	50%	0.498	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	117.5	174	-75.6	-76.7	0	0	0	111	Y30 C54 M55	Y30-Y50 AromaticContact CD2-CD2 3.88Å; Y30-Y50 HydrophobicContact CD2-CD2 3.88Å; Y30-Y50 AromaticContact CD2-CE2 3.98Å; Y30-Y50 HydrophobicContact CD2-CE2 3.98Å; Y30-Y50 AromaticContact CE2-CD2 3.48Å; Y30-Y50 HydrophobicContact CE2-CD2 3.48Å; Y30-Y50 VanDerWaalsContact CE2-CD2 3.48Å; Y30-Y50 HydrophobicContact CE2-CE2 4.03Å; Y30-Y50 AromaticContact CZ-CD2 3.89Å; Y30-Y50 PolarHBondContact OH-N 3.35Å; Y50-C54 WeakPolarHBondContact CA-O 3.2Å; Y50-M55 HydrophobicContact CD2-CE 4.12Å; Y50-M55 HydrophobicContact CE2-CE 3.85Å
51	H	97.5	Very high	97.1	Very high	26 Å²	26	39.7 Å²	39.7	12%	0.12	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.7	169.3	-51.4	-71.1	0	0	0	109.2	T48 G49 R53 C54 T56 E58 K61	T48-H51 PolarHBondContact OG1-NE2 3.35Å; G49-H51 PolarHBondContact O-CD2 2.94Å; G49-H51 PolarHBondContact O-N 3.33Å; H51-R53 VanDerWaalsContact C-N 3.25Å; H51-R53 PolarHBondContact O-N 3.29Å; H51-C54 PolarHBondContact N-O 3.38Å; H51-C54 PolarHBondContact O-N 3.25Å; H51-T56 WeakPolarHBondContact CB-OG1 3.06Å; H51-T56 PolarHBondContact CD2-O 3.05Å; H51-T56 VanDerWaalsContact CD2-O 3.29Å; H51-T56 PolarHBondContact CD2-OG1 2.64Å; H51-E58 IonicContact CE1-OE1 3.01Å; H51-E58 PolarHBondContact CE1-OE1 2.95Å; H51-E58 IonicContact NE2-OE1 3.97Å; H51-E58 PolarHBondContact NE2-OE1 3.28Å; H51-K61 HydrophobicContact CB-CB 3.86Å; H51-K61 HydrophobicContact CB-CD 4.2Å; H51-K61 HydrophobicContact CB-CG 3.72Å; H51-K61 PolarHBondContact CE1-NZ 2.81Å; H51-K61 VanDerWaalsContact ND1-CD 3.34Å; H51-K61 WeakPolarHBondContact ND1-CD 3.13Å; H51-K61 WeakPolarHBondContact ND1-CE 3.48Å
52	Y	98	Very high	97.1	Very high	41 Å²	41	36.7 Å²	36.7	16%	0.161	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	44	-176.9	-47.2	-73.7	0	0	0	112.1	C54 K61 F64 R65 M105 A106 L109 V110	Y52-C54 VanDerWaalsContact C-N 3.31Å; Y52-C54 PolarHBondContact O-N 2.76Å; Y52-K61 HydrophobicContact CE2-CG 3.93Å; Y52-F64 HydrophobicContact CD1-CE1 4.4Å; Y52-F64 AromaticContact CD2-CD1 3.69Å; Y52-F64 HydrophobicContact CD2-CD1 3.69Å; Y52-F64 HydrophobicContact CD2-CE1 4.23Å; Y52-F64 HydrophobicContact CE2-CD1 4.15Å; Y52-F64 AromaticContact CG-CD1 3.9Å; Y52-F64 HydrophobicContact CG-CD1 3.9Å; Y52-F64 AromaticContact CG-CE1 3.95Å; Y52-F64 HydrophobicContact CG-CE1 3.95Å; Y52-R65 HydrophobicContact CE2-CB 4.17Å; Y52-R65 WeakPolarHBondContact OH-CB 3.22Å; Y52-R65 VanDerWaalsContact OH-CD 3.23Å; Y52-R65 WeakPolarHBondContact OH-CD 3.27Å; Y52-R65 VanDerWaalsContact OH-CG 3.25Å; Y52-R65 WeakPolarHBondContact OH-CG 3.31Å; Y52-M105 HydrophobicContact CD2-CE 3.64Å; Y52-M105 HydrophobicContact CG-CE 4.31Å; Y52-M105 WeakPolarHBondContact O-CA 3.36Å; Y52-A106 PolarHBondContact O-N 3.25Å; Y52-L109 HydrophobicContact CD1-CB 4Å; Y52-V110 HydrophobicContact CD1-CG2 3.88Å; Y52-V110 HydrophobicContact CE1-CB 4.48Å; Y52-V110 HydrophobicContact CE1-CG2 3.65Å
53	R	97.3	Very high	97.1	Very high	187 Å²	187	36.9 Å²	36.9	71%	0.706	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	0.7	-179.6	-53.9	-66.9	-175.4	174.4	-0.2	117.2	H51 A106 L109	H51-R53 VanDerWaalsContact C-N 3.25Å; H51-R53 PolarHBondContact O-N 3.29Å; R53-A106 HydrophobicContact CB-CB 4.46Å; R53-A106 HydrophobicContact CG-CB 3.95Å; R53-L109 HydrophobicContact CG-CD1 3.74Å
54	C	97.4	Very high	97.1	Very high	12 Å²	12	36.7 Å²	36.7	8%	0.081	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.6	178.9	-60.1	0	0	0	0	112.4	V41 Y50 H51 Y52 T56 V103 G104 M105	V41-C54 HydrophobicContact CG2-CB 3.95Å; Y50-C54 WeakPolarHBondContact CA-O 3.2Å; H51-C54 PolarHBondContact N-O 3.38Å; H51-C54 PolarHBondContact O-N 3.25Å; Y52-C54 VanDerWaalsContact C-N 3.31Å; Y52-C54 PolarHBondContact O-N 2.76Å; C54-T56 HydrophobicContact CB-CG2 3.89Å; C54-T56 PolarHBondContact O-N 3.41Å; C54-T56 VanDerWaalsContact O-N 3.08Å; C54-T56 PolarHBondContact O-OG1 2.91Å; C54-V103 PolarHBondContact SG-O 3.36Å; C54-G104 PolarHBondContact SG-O 3.14Å; C54-M105 HydrophobicContact CB-CG 3.94Å; C54-M105 PolarHBondContact SG-N 2.92Å; C54-M105 VanDerWaalsContact SG-N 3.4Å
55	M	96.6	Very high	97.2	Very high	9 Å²	9	38.3 Å²	38.3	4%	0.044	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	103.8	172.6	-171.5	56.2	74.7	0	0	110	Y30 M31 E38 C40 V41 A47 G49 Y50	Y30-M55 HydrophobicContact CE2-CE 4.44Å; M31-M55 HydrophobicContact CE-CE 4.21Å; M31-M55 HydrophobicContact CE-SD 3.53Å; M31-M55 VanDerWaalsContact CE-SD 3.53Å; E38-M55 HydrophobicContact CB-CG 3.85Å; E38-M55 HydrophobicContact CB-SD 4.35Å; E38-M55 WeakPolarHBondContact OE2-CE 3.5Å; E38-M55 WeakPolarHBondContact OE2-CG 3.48Å; C40-M55 WeakPolarHBondContact CA-O 3.25Å; V41-M55 HydrophobicContact CG1-CB 4.42Å; V41-M55 WeakPolarHBondContact CG2-O 3.05Å; V41-M55 PolarHBondContact N-O 3.19Å; A47-M55 HydrophobicContact CB-CG 3.56Å; A47-M55 HydrophobicContact CB-SD 3.58Å; A47-M55 VanDerWaalsContact CB-SD 3.58Å; G49-M55 VanDerWaalsContact O-SD 3.41Å; Y50-M55 HydrophobicContact CD2-CE 4.12Å; Y50-M55 HydrophobicContact CE2-CE 3.85Å
56	T	98	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	158	-171.3	55.7	0	0	0	0	113.5	C40 V41 V42 A47 T48 G49 H51 C54 M105	C40-T56 VanDerWaalsContact SG-CA 3.58Å; V41-T56 HydrophobicContact CG2-CG2 4.08Å; V42-T56 HydrophobicContact CG2-CG2 4.11Å; A47-T56 WeakPolarHBondContact CA-O 3.29Å; T48-T56 PolarHBondContact N-O 2.99Å; G49-T56 PolarHBondContact O-N 3.29Å; G49-T56 VanDerWaalsContact O-N 3.13Å; H51-T56 WeakPolarHBondContact CB-OG1 3.06Å; H51-T56 PolarHBondContact CD2-O 3.05Å; H51-T56 VanDerWaalsContact CD2-O 3.29Å; H51-T56 PolarHBondContact CD2-OG1 2.64Å; C54-T56 HydrophobicContact CB-CG2 3.89Å; C54-T56 PolarHBondContact O-N 3.41Å; C54-T56 VanDerWaalsContact O-N 3.08Å; C54-T56 PolarHBondContact O-OG1 2.91Å; T56-M105 HydrophobicContact CG2-CE 4.31Å; T56-M105 HydrophobicContact CG2-SD 4.11Å
57	C	97.5	Very high	97.3	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.014	18%	0.182	C	C	.	.			trans	-79.4	161.2	171.6	66.3	0	0	0	0	111	C40 C43 D45 A46 G59 C60 K61 R89	C40-C57 HydrophobicContact CB-CB 4Å; C40-C57 PolarHBondContact SG-N 3.16Å; C40-C57 VanDerWaalsContact SG-N 3.36Å; C43-C57 VanDerWaalsContact SG-SG 3.68Å; D45-C57 HydrophobicContact CB-CB 4.13Å; A46-C57 VanDerWaalsContact O-CB 3.23Å; A46-C57 WeakPolarHBondContact O-CB 3.45Å; C57-G59 PolarHBondContact O-N 2.7Å; C57-G59 VanDerWaalsContact O-N 3.17Å; C57-C60 PolarHBondContact O-N 2.94Å; C57-C60 PolarHBondContact SG-N 3.08Å; C57-C60 VanDerWaalsContact SG-N 3.4Å; C57-K61 WeakPolarHBondContact O-CB 3.38Å; C57-K61 PolarHBondContact O-N 3.04Å; C57-R89 PolarHBondContact SG-NH1 3.13Å
58	E	96.8	Very high	97.4	Very high	92 Å²	92	43 Å²	43	43%	0.43	19%	0.192	S	C	.	.	H	α-helix	trans	-57.7	-31.2	176	-70.6	-61	131.7	0	0	113	T48 H51 K61 G62	T48-E58 HydrophobicContact CG2-CG 3.88Å; T48-E58 PolarHBondContact OG1-OE1 3.47Å; H51-E58 IonicContact CE1-OE1 3.01Å; H51-E58 PolarHBondContact CE1-OE1 2.95Å; H51-E58 IonicContact NE2-OE1 3.97Å; H51-E58 PolarHBondContact NE2-OE1 3.28Å; E58-K61 IonicContact OE1-NZ 4Å; E58-K61 PolarHBondContact OE1-NZ 3.31Å; E58-K61 WeakPolarHBondContact OE2-CD 3.23Å; E58-K61 IonicContact OE2-NZ 2.71Å; E58-K61 PolarHBondContact OE2-NZ 3.03Å; E58-G62 PolarHBondContact O-N 3.4Å
59	G	98	Very high	97.4	Very high	24 Å²	24	43.4 Å²	43.4	25%	0.247	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-48.9	177.1	0	0	0	0	0	112.7	C57 F63 R96	C57-G59 PolarHBondContact O-N 2.7Å; C57-G59 VanDerWaalsContact O-N 3.17Å; G59-F63 VanDerWaalsContact O-CB 3.29Å; G59-F63 WeakPolarHBondContact O-CB 3.23Å; G59-F63 PolarHBondContact O-N 3.17Å; G59-R96 VanDerWaalsContact C-NH2 3.31Å; G59-R96 PolarHBondContact O-NH2 3.35Å
60	C	98.7	Very high	97.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-75.5	-37.5	179.8	-70.5	0	0	0	0	112.3	V42 C43 C57 G62 F63 F64 R96	V42-C60 HydrophobicContact CB-CB 4.21Å; V42-C60 HydrophobicContact CG1-CB 4.37Å; V42-C60 HydrophobicContact CG2-CB 4.38Å; C43-C60 VanDerWaalsContact SG-SG 3.6Å; C57-C60 PolarHBondContact O-N 2.94Å; C57-C60 PolarHBondContact SG-N 3.08Å; C57-C60 VanDerWaalsContact SG-N 3.4Å; C60-G62 PolarHBondContact O-N 2.83Å; C60-F63 PolarHBondContact O-N 3Å; C60-F64 VanDerWaalsContact O-CB 3.31Å; C60-F64 WeakPolarHBondContact O-CB 3.35Å; C60-F64 PolarHBondContact O-N 3.19Å; C60-R96 PolarHBondContact SG-NH2 3.29Å
61	K	98.4	Very high	97.4	Very high	44 Å²	44	50.3 Å²	50.3	19%	0.191	23%	0.228	C	C	.	.	H	α-helix	trans	-52.9	-54.2	169.1	169.7	-160.1	-168.9	179.2	0	111.7	H51 Y52 C57 E58 R65	H51-K61 HydrophobicContact CB-CB 3.86Å; H51-K61 HydrophobicContact CB-CD 4.2Å; H51-K61 HydrophobicContact CB-CG 3.72Å; H51-K61 PolarHBondContact CE1-NZ 2.81Å; H51-K61 VanDerWaalsContact ND1-CD 3.34Å; H51-K61 WeakPolarHBondContact ND1-CD 3.13Å; H51-K61 WeakPolarHBondContact ND1-CE 3.48Å; Y52-K61 HydrophobicContact CE2-CG 3.93Å; C57-K61 WeakPolarHBondContact O-CB 3.38Å; C57-K61 PolarHBondContact O-N 3.04Å; E58-K61 IonicContact OE1-NZ 4Å; E58-K61 PolarHBondContact OE1-NZ 3.31Å; E58-K61 WeakPolarHBondContact OE2-CD 3.23Å; E58-K61 IonicContact OE2-NZ 2.71Å; E58-K61 PolarHBondContact OE2-NZ 3.03Å; K61-R65 WeakPolarHBondContact O-CB 3.41Å; K61-R65 PolarHBondContact O-N 2.77Å
62	G	98.2	Very high	97.4	Very high	6 Å²	6	52.1 Å²	52.1	6%	0.062	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-38.8	-177.9	0	0	0	0	0	112.6	E58 C60 R66	E58-G62 PolarHBondContact O-N 3.4Å; C60-G62 PolarHBondContact O-N 2.83Å; G62-R66 WeakPolarHBondContact O-CB 3.39Å; G62-R66 VanDerWaalsContact O-CG 3.31Å; G62-R66 WeakPolarHBondContact O-CG 3.41Å; G62-R66 VanDerWaalsContact O-CZ 3.27Å; G62-R66 PolarHBondContact O-N 3.33Å; G62-R66 VanDerWaalsContact O-N 3.09Å; G62-R66 PolarHBondContact O-NE 2.93Å; G62-R66 PolarHBondContact O-NH1 3.49Å
63	F	98.7	Very high	97.3	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.035	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-57	175	172.8	-103.3	0	0	0	111.3	G59 C60 R65 R66 T67 Y74 Q93 R96 F97	G59-F63 VanDerWaalsContact O-CB 3.29Å; G59-F63 WeakPolarHBondContact O-CB 3.23Å; G59-F63 PolarHBondContact O-N 3.17Å; C60-F63 PolarHBondContact O-N 3Å; F63-R65 VanDerWaalsContact C-N 3.35Å; F63-R65 PolarHBondContact O-N 3.07Å; F63-R66 PolarHBondContact O-N 2.98Å; F63-R66 VanDerWaalsContact O-N 3.13Å; F63-T67 PolarHBondContact O-N 3.39Å; F63-T67 PolarHBondContact O-OG1 3.49Å; F63-T67 VanDerWaalsContact O-OG1 3.11Å; F63-Y74 HydrophobicContact CE2-CE2 4.05Å; F63-Y74 HydrophobicContact CZ-CD2 4.5Å; F63-Y74 AromaticContact CZ-CE2 3.81Å; F63-Y74 HydrophobicContact CZ-CE2 3.81Å; F63-Q93 HydrophobicContact CE2-CB 4.1Å; F63-Q93 HydrophobicContact CE2-CG 4.11Å; F63-Q93 HydrophobicContact CZ-CB 4.15Å; F63-Q93 WeakPolarHBondContact CZ-O 3.28Å; F63-R96 VanDerWaalsContact CD1-CD 3.45Å; F63-R96 HydrophobicContact CD1-CG 3.96Å; F63-R96 HydrophobicContact CE1-CB 3.93Å; F63-R96 HydrophobicContact CE1-CG 3.73Å; F63-R96 HydrophobicContact CZ-CB 4.17Å; F63-R96 HydrophobicContact CZ-CG 4.34Å; F63-F97 HydrophobicContact CE1-CB 3.77Å; F63-F97 HydrophobicContact CE1-CD2 4.42Å; F63-F97 HydrophobicContact CZ-CB 3.95Å
64	F	98.7	Very high	97.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-54.2	-49.7	179.6	-178.4	-102.6	0	0	0	111.9	Y52 C60 R66 T67 I68 F97 C100 V101 M105 T107 V110	Y52-F64 HydrophobicContact CD1-CE1 4.4Å; Y52-F64 AromaticContact CD2-CD1 3.69Å; Y52-F64 HydrophobicContact CD2-CD1 3.69Å; Y52-F64 HydrophobicContact CD2-CE1 4.23Å; Y52-F64 HydrophobicContact CE2-CD1 4.15Å; Y52-F64 AromaticContact CG-CD1 3.9Å; Y52-F64 HydrophobicContact CG-CD1 3.9Å; Y52-F64 AromaticContact CG-CE1 3.95Å; Y52-F64 HydrophobicContact CG-CE1 3.95Å; C60-F64 VanDerWaalsContact O-CB 3.31Å; C60-F64 WeakPolarHBondContact O-CB 3.35Å; C60-F64 PolarHBondContact O-N 3.19Å; F64-R66 PolarHBondContact O-N 2.75Å; F64-T67 PolarHBondContact O-N 2.9Å; F64-I68 HydrophobicContact CE1-CG1 4.35Å; F64-I68 HydrophobicContact CE2-CG1 4.36Å; F64-I68 HydrophobicContact CZ-CG1 4.22Å; F64-I68 WeakPolarHBondContact O-CG1 3.29Å; F64-I68 PolarHBondContact O-N 3.09Å; F64-I68 VanDerWaalsContact O-N 3.11Å; F64-F97 HydrophobicContact CD2-CD2 4.19Å; F64-F97 AromaticContact CD2-CE2 3.86Å; F64-F97 HydrophobicContact CD2-CE2 3.86Å; F64-F97 AromaticContact CE2-CE2 3.95Å; F64-F97 HydrophobicContact CE2-CE2 3.95Å; F64-C100 HydrophobicContact CD2-CB 3.64Å; F64-C100 HydrophobicContact CE2-CB 4.23Å; F64-V101 HydrophobicContact CE2-CG2 4.39Å; F64-M105 HydrophobicContact CB-CE 3.65Å; F64-M105 HydrophobicContact CB-SD 4.03Å; F64-M105 HydrophobicContact CD1-CB 4.22Å; F64-M105 HydrophobicContact CD1-CE 3.69Å; F64-M105 HydrophobicContact CD1-SD 4.46Å; F64-M105 HydrophobicContact CD2-CB 3.97Å; F64-M105 HydrophobicContact CD2-CE 4.37Å; F64-M105 HydrophobicContact CD2-SD 4.11Å; F64-M105 HydrophobicContact CE1-CB 3.89Å; F64-M105 HydrophobicContact CE1-CE 4.41Å; F64-M105 HydrophobicContact CE2-CB 3.62Å; F64-M105 HydrophobicContact CG-CB 4.24Å; F64-M105 HydrophobicContact CG-CE 3.64Å; F64-M105 HydrophobicContact CG-SD 3.95Å; F64-M105 HydrophobicContact CZ-CB 3.56Å; F64-M105 VanDerWaalsContact CZ-O 3.24Å; F64-M105 WeakPolarHBondContact CZ-O 3.42Å; F64-T107 HydrophobicContact CE2-CG2 4.08Å; F64-T107 HydrophobicContact CZ-CG2 3.61Å; F64-V110 HydrophobicContact CD1-CG2 4.12Å; F64-V110 HydrophobicContact CE1-CG2 3.8Å
65	R	98.1	Very high	97.3	Very high	90 Å²	90	54.5 Å²	54.5	34%	0.34	27%	0.272	S	S	.	.	H	α-helix	trans	-54.6	-50.1	176.8	-174.3	-175.6	65.7	-151.4	-1.2	112.2	Y52 K61 F63 I68 Q69 V110	Y52-R65 HydrophobicContact CE2-CB 4.17Å; Y52-R65 WeakPolarHBondContact OH-CB 3.22Å; Y52-R65 VanDerWaalsContact OH-CD 3.23Å; Y52-R65 WeakPolarHBondContact OH-CD 3.27Å; Y52-R65 VanDerWaalsContact OH-CG 3.25Å; Y52-R65 WeakPolarHBondContact OH-CG 3.31Å; K61-R65 WeakPolarHBondContact O-CB 3.41Å; K61-R65 PolarHBondContact O-N 2.77Å; F63-R65 VanDerWaalsContact C-N 3.35Å; F63-R65 PolarHBondContact O-N 3.07Å; R65-I68 PolarHBondContact O-N 3.01Å; R65-Q69 HydrophobicContact CG-CG 4.25Å; R65-Q69 WeakPolarHBondContact O-CB 3.05Å; R65-Q69 VanDerWaalsContact O-CG 3.26Å; R65-Q69 WeakPolarHBondContact O-CG 3.39Å; R65-Q69 PolarHBondContact O-N 3.29Å; R65-V110 HydrophobicContact CG-CG1 4.16Å
66	R	97.6	Very high	97.4	Very high	120 Å²	120	55.6 Å²	55.6	45%	0.453	28%	0.28	S	S	.	.	H	α-helix	trans	-66.2	-39.1	-177.3	-75.1	-174.3	-58.8	-93.9	-1	112.1	G62 F63 F64 K70	G62-R66 WeakPolarHBondContact O-CB 3.39Å; G62-R66 VanDerWaalsContact O-CG 3.31Å; G62-R66 WeakPolarHBondContact O-CG 3.41Å; G62-R66 VanDerWaalsContact O-CZ 3.27Å; G62-R66 PolarHBondContact O-N 3.33Å; G62-R66 VanDerWaalsContact O-N 3.09Å; G62-R66 PolarHBondContact O-NE 2.93Å; G62-R66 PolarHBondContact O-NH1 3.49Å; F63-R66 PolarHBondContact O-N 2.98Å; F63-R66 VanDerWaalsContact O-N 3.13Å; F64-R66 PolarHBondContact O-N 2.75Å; R66-K70 WeakPolarHBondContact O-CB 3.35Å; R66-K70 PolarHBondContact O-N 3.46Å; R66-K70 VanDerWaalsContact O-N 3.08Å
67	T	98	Very high	97.3	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-48	177.2	-59.6	0	0	0	0	110.9	F63 F64 N71 L72 Y74 F97	F63-T67 PolarHBondContact O-N 3.39Å; F63-T67 PolarHBondContact O-OG1 3.49Å; F63-T67 VanDerWaalsContact O-OG1 3.11Å; F64-T67 PolarHBondContact O-N 2.9Å; T67-N71 WeakPolarHBondContact O-CA 3.41Å; T67-N71 PolarHBondContact O-N 3.05Å; T67-N71 VanDerWaalsContact O-N 3.11Å; T67-L72 HydrophobicContact CG2-CB 4.3Å; T67-L72 PolarHBondContact O-N 3.4Å; T67-Y74 HydrophobicContact CG2-CD2 4.35Å; T67-Y74 HydrophobicContact CG2-CE2 3.51Å; T67-Y74 WeakPolarHBondContact OG1-CE2 3.45Å; T67-Y74 PolarHBondContact OG1-OH 3.33Å; T67-F97 HydrophobicContact CG2-CD1 4.28Å; T67-F97 HydrophobicContact CG2-CD2 3.48Å; T67-F97 VanDerWaalsContact CG2-CD2 3.48Å; T67-F97 HydrophobicContact CG2-CE1 4.32Å; T67-F97 HydrophobicContact CG2-CE2 3.54Å; T67-F97 HydrophobicContact CG2-CG 3.87Å; T67-F97 HydrophobicContact CG2-CZ 3.97Å
68	I	96.9	Very high	97.1	Very high	50 Å²	50	68.5 Å²	68.5	26%	0.256	35%	0.351	S	S	.	.	H	α-helix	trans	-68.2	-49.3	178.8	-59.8	-59.9	0	0	0	111.6	F64 R65 K70 N71 F97 T107 V110	F64-I68 HydrophobicContact CE1-CG1 4.35Å; F64-I68 HydrophobicContact CE2-CG1 4.36Å; F64-I68 HydrophobicContact CZ-CG1 4.22Å; F64-I68 WeakPolarHBondContact O-CG1 3.29Å; F64-I68 PolarHBondContact O-N 3.09Å; F64-I68 VanDerWaalsContact O-N 3.11Å; R65-I68 PolarHBondContact O-N 3.01Å; I68-K70 VanDerWaalsContact C-N 3.27Å; I68-K70 PolarHBondContact O-N 3.11Å; I68-N71 PolarHBondContact O-N 2.97Å; I68-F97 HydrophobicContact CD1-CE2 3.75Å; I68-F97 HydrophobicContact CD1-CZ 3.6Å; I68-F97 HydrophobicContact CG1-CE2 4.28Å; I68-T107 HydrophobicContact CD1-CG2 3.68Å; I68-T107 HydrophobicContact CG1-CG2 4.3Å; I68-V110 HydrophobicContact CB-CB 4.15Å; I68-V110 HydrophobicContact CB-CG1 3.99Å; I68-V110 HydrophobicContact CB-CG2 4.11Å; I68-V110 HydrophobicContact CG1-CG2 4.24Å; I68-V110 HydrophobicContact CG2-CB 3.74Å; I68-V110 HydrophobicContact CG2-CG1 3.83Å; I68-V110 HydrophobicContact CG2-CG2 4.13Å
69	Q	95.2	Very high	97	Very high	70 Å²	70	69.9 Å²	69.9	33%	0.327	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-34.8	-176.4	-75.5	-178.8	-30	0	0	113.8	R65 V110 L111	R65-Q69 HydrophobicContact CG-CG 4.25Å; R65-Q69 WeakPolarHBondContact O-CB 3.05Å; R65-Q69 VanDerWaalsContact O-CG 3.26Å; R65-Q69 WeakPolarHBondContact O-CG 3.39Å; R65-Q69 PolarHBondContact O-N 3.29Å; Q69-V110 HydrophobicContact CG-CG1 3.48Å; Q69-V110 VanDerWaalsContact CG-CG1 3.48Å; Q69-L111 PolarHBondContact NE2-O 3.13Å
70	K	94.9	Very high	96.8	Very high	152 Å²	152	71.5 Å²	71.5	66%	0.661	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	6.9	179.8	-66.4	-173	175.5	-165.2	0	112.6	R66 I68 L72	R66-K70 WeakPolarHBondContact O-CB 3.35Å; R66-K70 PolarHBondContact O-N 3.46Å; R66-K70 VanDerWaalsContact O-N 3.08Å; I68-K70 VanDerWaalsContact C-N 3.27Å; I68-K70 PolarHBondContact O-N 3.11Å; K70-L72 HydrophobicContact CB-CD1 4.14Å; K70-L72 HydrophobicContact CB-CD2 3.75Å; K70-L72 HydrophobicContact CB-CG 3.65Å; K70-L72 HydrophobicContact CD-CD1 4.45Å; K70-L72 PolarHBondContact O-N 3.44Å
71	N	95.3	Very high	96.7	Very high	121 Å²	121	79.6 Å²	79.6	65%	0.647	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.3	46.8	-174.6	-168.7	26.3	0	0	0	112.6	T67 I68 Q73	T67-N71 WeakPolarHBondContact O-CA 3.41Å; T67-N71 PolarHBondContact O-N 3.05Å; T67-N71 VanDerWaalsContact O-N 3.11Å; I68-N71 PolarHBondContact O-N 2.97Å; N71-Q73 PolarHBondContact O-N 2.91Å; N71-Q73 PolarHBondContact OD1-NE2 3.1Å
72	L	97	Very high	96.7	Very high	63 Å²	63	79.9 Å²	79.9	33%	0.33	41%	0.414	S	S	.	.			trans	-76.1	127.5	-174.5	-59.3	176.1	0	0	0	110.1	T67 K70 Y74	T67-L72 HydrophobicContact CG2-CB 4.3Å; T67-L72 PolarHBondContact O-N 3.4Å; K70-L72 HydrophobicContact CB-CD1 4.14Å; K70-L72 HydrophobicContact CB-CD2 3.75Å; K70-L72 HydrophobicContact CB-CG 3.65Å; K70-L72 HydrophobicContact CD-CD1 4.45Å; K70-L72 PolarHBondContact O-N 3.44Å; L72-Y74 HydrophobicContact CB-CE1 3.95Å; L72-Y74 HydrophobicContact CB-CE2 4.32Å; L72-Y74 HydrophobicContact CD1-CE1 4.44Å; L72-Y74 WeakPolarHBondContact CD1-OH 3.46Å
73	Q	96.4	Very high	96.6	Very high	158 Å²	158	86.7 Å²	86.7	74%	0.738	45%	0.446	S	S	*	.			trans	-102.8	135	174.2	-60.2	-62.5	-25.1	0	0	109.1	N71	N71-Q73 PolarHBondContact O-N 2.91Å; N71-Q73 PolarHBondContact OD1-NE2 3.1Å
74	Y	97.5	Very high	96.6	Very high	43 Å²	43	87.5 Å²	87.5	17%	0.169	45%	0.45	C	S	.	.			trans	-122.5	151.4	-178.6	-53.8	-60.6	0	0	0	110.5	F63 T67 L72 Q93 K94 F97	F63-Y74 HydrophobicContact CE2-CE2 4.05Å; F63-Y74 HydrophobicContact CZ-CD2 4.5Å; F63-Y74 AromaticContact CZ-CE2 3.81Å; F63-Y74 HydrophobicContact CZ-CE2 3.81Å; T67-Y74 HydrophobicContact CG2-CD2 4.35Å; T67-Y74 HydrophobicContact CG2-CE2 3.51Å; T67-Y74 WeakPolarHBondContact OG1-CE2 3.45Å; T67-Y74 PolarHBondContact OG1-OH 3.33Å; L72-Y74 HydrophobicContact CB-CE1 3.95Å; L72-Y74 HydrophobicContact CB-CE2 4.32Å; L72-Y74 HydrophobicContact CD1-CE1 4.44Å; L72-Y74 WeakPolarHBondContact CD1-OH 3.46Å; Y74-Q93 HydrophobicContact CD1-CB 3.74Å; Y74-Q93 HydrophobicContact CD2-CB 3.9Å; Y74-Q93 HydrophobicContact CE1-CB 3.95Å; Y74-Q93 HydrophobicContact CE1-CG 4.43Å; Y74-Q93 HydrophobicContact CE2-CB 4.07Å; Y74-Q93 HydrophobicContact CG-CB 3.73Å; Y74-K94 VanDerWaalsContact O-CD 3.28Å; Y74-K94 WeakPolarHBondContact O-CD 3.45Å; Y74-F97 HydrophobicContact CD2-CB 4.27Å; Y74-F97 HydrophobicContact CE2-CB 4.41Å
75	A	97.1	Very high	96.5	Very high	90 Å²	90	89.7 Å²	89.7	74%	0.744	46%	0.462	S	S	*	.			trans	-118.5	140.2	170	0	0	0	0	0	110
76	C	97.9	Very high	96.5	Very high	32 Å²	32	91.3 Å²	91.3	22%	0.216	47%	0.472	C	S	.	.			trans	-80.8	137.6	172.1	-171.9	0	0	0	0	109.1	G78 A80 C82 K94 C95	C76-G78 VanDerWaalsContact C-N 3.31Å; C76-G78 PolarHBondContact SG-N 3.13Å; C76-A80 HydrophobicContact CB-CB 4.41Å; C76-C82 VanDerWaalsContact SG-SG 3.67Å; C76-K94 HydrophobicContact CB-CB 4.18Å; C76-K94 HydrophobicContact CB-CG 4.11Å; C76-C95 VanDerWaalsContact SG-SG 3.6Å
77	K	95.9	Very high	96.5	Very high	220 Å²	220	91.2 Å²	91.2	96%	0.957	48%	0.484	S	S	*	.	S	Bend	trans	-82.3	-10.6	172.6	-63.3	-175.7	178.9	-177	0	113.2
78	G	94	Very high	96.4	Very high	53 Å²	53	92.9 Å²	92.9	55%	0.546	50%	0.495	S	S	.	.	S	Bend	trans	-115.1	-149.3	178.8	0	0	0	0	0	111.8	C76 A80	C76-G78 VanDerWaalsContact C-N 3.31Å; C76-G78 PolarHBondContact SG-N 3.13Å; G78-A80 VanDerWaalsContact C-N 3.29Å; G78-A80 PolarHBondContact O-N 3.17Å
79	N	94.9	Very high	96.4	Very high	120 Å²	120	92.4 Å²	92.4	64%	0.642	49%	0.489	S	S	*	.	S	Bend	trans	-87.3	22.8	-175.3	66.2	-5.2	0	0	0	114.8	K81	N79-K81 PolarHBondContact O-N 3.22Å; N79-K81 VanDerWaalsContact O-N 3.11Å; N79-K81 WeakPolarHBondContact OD1-CB 3.42Å; N79-K81 PolarHBondContact OD1-N 3.43Å
80	A	93.9	Very high	96.5	Very high	58 Å²	58	94.4 Å²	94.4	48%	0.479	50%	0.502	S	S	.	.	S	Bend	trans	56.3	21.6	-175.5	0	0	0	0	0	115.6	C76 G78	C76-A80 HydrophobicContact CB-CB 4.41Å; G78-A80 VanDerWaalsContact C-N 3.29Å; G78-A80 PolarHBondContact O-N 3.17Å
81	K	96.3	Very high	96.6	Very high	171 Å²	171	94.4 Å²	94.4	74%	0.743	51%	0.505	S	S	*	.			trans	-121	29.3	177.5	-62.2	177.8	-179.4	-179.2	0	113	N79 M83	N79-K81 PolarHBondContact O-N 3.22Å; N79-K81 VanDerWaalsContact O-N 3.11Å; N79-K81 WeakPolarHBondContact OD1-CB 3.42Å; N79-K81 PolarHBondContact OD1-N 3.43Å; K81-M83 PolarHBondContact O-N 3.42Å
82	C	97.8	Very high	96.7	Very high	49 Å²	49	89.3 Å²	89.3	33%	0.331	48%	0.478	S	S	.	.			trans	-59.8	133.1	178.9	-55.8	0	0	0	0	110.6	C76 C92 C95	C76-C82 VanDerWaalsContact SG-SG 3.67Å; C82-C92 HydrophobicContact CB-CB 4.01Å; C82-C95 HydrophobicContact CB-CB 3.78Å
83	M	96.3	Very high	96.8	Very high	149 Å²	149	91.3 Å²	91.3	73%	0.734	49%	0.486	S	S	*	.			trans	-64.3	137.3	171.3	-171.5	178.9	-67.3	0	0	109.9	K81 T88	K81-M83 PolarHBondContact O-N 3.42Å; M83-T88 PolarHBondContact O-OG1 2.87Å; M83-T88 VanDerWaalsContact O-OG1 3.14Å
84	I	98.3	Very high	96.9	Very high	25 Å²	25	86.8 Å²	86.8	13%	0.128	46%	0.464	C	S	.	.			trans	-120.7	103.5	179.6	-54.8	-61.7	0	0	0	108.6	V42 C43 R89 C95 R96 K99	V42-I84 HydrophobicContact CG1-CG2 4.19Å; V42-I84 VanDerWaalsContact O-CG2 3.31Å; V42-I84 WeakPolarHBondContact O-CG2 3.35Å; C43-I84 HydrophobicContact CB-CG2 4.12Å; I84-R89 HydrophobicContact CG2-CB 3.94Å; I84-C95 HydrophobicContact CD1-CB 4.04Å; I84-C95 HydrophobicContact CG1-CB 4.5Å; I84-R96 HydrophobicContact CD1-CB 4.02Å; I84-R96 HydrophobicContact CG2-CG 4.21Å; I84-K99 HydrophobicContact CG1-CB 4.41Å
85	D	97.9	Very high	96.9	Very high	46 Å²	46	85.1 Å²	85.1	25%	0.246	46%	0.458	C	S	.	.			trans	-129.6	-177.4	173.1	65.7	59.4	0	0	0	110.9	C43 V87 T88 R89	C43-D85 CarbonylContact O-C 3.59Å; C43-D85 VanDerWaalsContact O-CA 3.22Å; C43-D85 WeakPolarHBondContact O-CA 3.3Å; D85-V87 PolarHBondContact O-N 3.37Å; D85-V87 WeakPolarHBondContact OD1-CA 3.31Å; D85-V87 WeakPolarHBondContact OD1-CB 3.29Å; D85-V87 PolarHBondContact OD1-N 3.37Å; D85-T88 PolarHBondContact N-OG1 2.91Å; D85-T88 PolarHBondContact O-N 3.4Å; D85-T88 PolarHBondContact OD1-N 3.23Å; D85-T88 PolarHBondContact OD1-OG1 3.34Å; D85-T88 VanDerWaalsContact OD2-CG2 3.28Å; D85-T88 WeakPolarHBondContact OD2-CG2 3.43Å; D85-T88 PolarHBondContact OD2-OG1 3.19Å; D85-R89 WeakPolarHBondContact O-CA 3.49Å; D85-R89 WeakPolarHBondContact O-CB 3.28Å; D85-R89 WeakPolarHBondContact O-CG 3.2Å; D85-R89 PolarHBondContact O-N 3.48Å
86	K	97.1	Very high	97	Very high	125 Å²	125	81.4 Å²	81.4	54%	0.543	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-38.3	-177.5	178.9	174.7	-179.4	154.2	0	112.8	C43 D45	C43-K86 PolarHBondContact O-N 3.12Å; D45-K86 HydrophobicContact CB-CB 4.19Å; D45-K86 HydrophobicContact CB-CD 4.19Å; D45-K86 HydrophobicContact CB-CG 4.03Å; D45-K86 VanDerWaalsContact OD1-CD 3.29Å; D45-K86 WeakPolarHBondContact OD1-CD 3.46Å; D45-K86 WeakPolarHBondContact OD1-CE 3.31Å; D45-K86 IonicContact OD1-NZ 2.86Å; D45-K86 PolarHBondContact OD1-NZ 2.63Å
87	V	97.2	Very high	97	Very high	117 Å²	117	81.7 Å²	81.7	71%	0.709	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-44.6	-178.6	-174.8	0	0	0	0	109.8	D85	D85-V87 PolarHBondContact O-N 3.37Å; D85-V87 WeakPolarHBondContact OD1-CA 3.31Å; D85-V87 WeakPolarHBondContact OD1-CB 3.29Å; D85-V87 PolarHBondContact OD1-N 3.37Å
88	T	97	Very high	97.2	Very high	39 Å²	39	73.8 Å²	73.8	24%	0.239	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-15.4	-169.2	61.5	0	0	0	0	114.5	M83 D85 N90 H91	M83-T88 PolarHBondContact O-OG1 2.87Å; M83-T88 VanDerWaalsContact O-OG1 3.14Å; D85-T88 PolarHBondContact N-OG1 2.91Å; D85-T88 PolarHBondContact O-N 3.4Å; D85-T88 PolarHBondContact OD1-N 3.23Å; D85-T88 PolarHBondContact OD1-OG1 3.34Å; D85-T88 VanDerWaalsContact OD2-CG2 3.28Å; D85-T88 WeakPolarHBondContact OD2-CG2 3.43Å; D85-T88 PolarHBondContact OD2-OG1 3.19Å; T88-N90 PolarHBondContact O-N 3.28Å; T88-H91 WeakPolarHBondContact CA-ND1 3.19Å; T88-H91 WeakPolarHBondContact O-CB 3.45Å; T88-H91 PolarHBondContact O-N 3.39Å; T88-H91 PolarHBondContact O-ND1 3.38Å
89	R	97.4	Very high	97.4	Very high	39 Å²	39	74.6 Å²	74.6	15%	0.147	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-23.4	-172.7	64.2	-173	-169.2	-167	-6.4	116.1	C43 D45 C57 I84 D85 R96	C43-R89 HydrophobicContact CB-CB 4.13Å; C43-R89 PolarHBondContact SG-NH1 3.4Å; C43-R89 VanDerWaalsContact SG-NH1 3.42Å; D45-R89 IonicContact OD2-CZ 3.52Å; D45-R89 IonicContact OD2-NH1 3.42Å; D45-R89 PolarHBondContact OD2-NH1 3.42Å; D45-R89 IonicContact OD2-NH2 2.74Å; D45-R89 PolarHBondContact OD2-NH2 3.36Å; C57-R89 PolarHBondContact SG-NH1 3.13Å; I84-R89 HydrophobicContact CG2-CB 3.94Å; D85-R89 WeakPolarHBondContact O-CA 3.49Å; D85-R89 WeakPolarHBondContact O-CB 3.28Å; D85-R89 WeakPolarHBondContact O-CG 3.2Å; D85-R89 PolarHBondContact O-N 3.48Å; R89-R96 VanDerWaalsContact O-CD 3.27Å; R89-R96 WeakPolarHBondContact O-CD 3.3Å
90	N	96.9	Very high	97.6	Very high	112 Å²	112	68.9 Å²	68.9	60%	0.599	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-7.2	-179.6	-65.1	-34.5	0	0	0	114.3	T88 R96	T88-N90 PolarHBondContact O-N 3.28Å; N90-R96 PolarHBondContact OD1-NH1 3.04Å
91	H	96.7	Very high	97.8	Very high	153 Å²	153	69.5 Å²	69.5	71%	0.708	35%	0.347	S	S	*	.	S	Bend	trans	-73.9	-31.6	-176.3	-66	80.9	0	0	0	113.2	T88	T88-H91 WeakPolarHBondContact CA-ND1 3.19Å; T88-H91 WeakPolarHBondContact O-CB 3.45Å; T88-H91 PolarHBondContact O-N 3.39Å; T88-H91 PolarHBondContact O-ND1 3.38Å
92	C	98.2	Very high	97.8	Very high	14 Å²	14	68.4 Å²	68.4	10%	0.095	34%	0.344	C	S	.	.			trans	-138.9	103.8	177.8	-171.5	0	0	0	0	111.3	C82 K94 C95 R96	C82-C92 HydrophobicContact CB-CB 4.01Å; C92-K94 VanDerWaalsContact C-N 3.32Å; C92-K94 PolarHBondContact O-N 3.46Å; C92-C95 HydrophobicContact CB-CB 4.21Å; C92-R96 WeakPolarHBondContact O-CB 3.5Å; C92-R96 PolarHBondContact O-N 2.89Å
93	Q	98.1	Very high	97.8	Very high	104 Å²	104	68.1 Å²	68.1	49%	0.486	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-36.1	178.8	-65.8	174.4	-47.6	0	0	112.3	F63 Y74 R96 F97	F63-Q93 HydrophobicContact CE2-CB 4.1Å; F63-Q93 HydrophobicContact CE2-CG 4.11Å; F63-Q93 HydrophobicContact CZ-CB 4.15Å; F63-Q93 WeakPolarHBondContact CZ-O 3.28Å; Y74-Q93 HydrophobicContact CD1-CB 3.74Å; Y74-Q93 HydrophobicContact CD2-CB 3.9Å; Y74-Q93 HydrophobicContact CE1-CB 3.95Å; Y74-Q93 HydrophobicContact CE1-CG 4.43Å; Y74-Q93 HydrophobicContact CE2-CB 4.07Å; Y74-Q93 HydrophobicContact CG-CB 3.73Å; Q93-R96 PolarHBondContact O-N 3.23Å; Q93-F97 WeakPolarHBondContact O-CB 3.23Å; Q93-F97 PolarHBondContact O-N 2.93Å
94	K	98.5	Very high	97.9	Very high	63 Å²	63	63.2 Å²	63.2	27%	0.274	33%	0.328	S	S	.	.	H	α-helix	trans	-58.7	-59.3	176.6	179.5	53.1	163.9	90.6	0	111.5	Y74 C76 C92 R96 F97 D98	Y74-K94 VanDerWaalsContact O-CD 3.28Å; Y74-K94 WeakPolarHBondContact O-CD 3.45Å; C76-K94 HydrophobicContact CB-CB 4.18Å; C76-K94 HydrophobicContact CB-CG 4.11Å; C92-K94 VanDerWaalsContact C-N 3.32Å; C92-K94 PolarHBondContact O-N 3.46Å; K94-R96 VanDerWaalsContact C-N 3.26Å; K94-R96 PolarHBondContact O-N 3.16Å; K94-F97 PolarHBondContact O-N 3.45Å; K94-F97 VanDerWaalsContact O-N 3.14Å; K94-D98 IonicContact NZ-OD1 3.59Å; K94-D98 PolarHBondContact NZ-OD1 3.25Å; K94-D98 IonicContact NZ-OD2 3.58Å; K94-D98 PolarHBondContact NZ-OD2 2.9Å; K94-D98 VanDerWaalsContact O-CG 3.22Å; K94-D98 PolarHBondContact O-N 3.11Å
95	C	98.6	Very high	97.9	Very high	9 Å²	9	62.3 Å²	62.3	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-33.9	179.7	-62.2	0	0	0	0	112.4	C76 C82 I84 C92 K99	C76-C95 VanDerWaalsContact SG-SG 3.6Å; C82-C95 HydrophobicContact CB-CB 3.78Å; I84-C95 HydrophobicContact CD1-CB 4.04Å; I84-C95 HydrophobicContact CG1-CB 4.5Å; C92-C95 HydrophobicContact CB-CB 4.21Å; C95-K99 WeakPolarHBondContact O-CB 3.34Å; C95-K99 PolarHBondContact O-N 3.11Å
96	R	98.6	Very high	97.9	Very high	11 Å²	11	60.6 Å²	60.6	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-64.2	-45.2	174.5	-169.7	-167.4	-173.2	162.1	-0.4	112	V42 G59 C60 F63 I84 R89 N90 C92 Q93 K94 K99 C100	V42-R96 HydrophobicContact CG1-CG 4.45Å; G59-R96 VanDerWaalsContact C-NH2 3.31Å; G59-R96 PolarHBondContact O-NH2 3.35Å; C60-R96 PolarHBondContact SG-NH2 3.29Å; F63-R96 VanDerWaalsContact CD1-CD 3.45Å; F63-R96 HydrophobicContact CD1-CG 3.96Å; F63-R96 HydrophobicContact CE1-CB 3.93Å; F63-R96 HydrophobicContact CE1-CG 3.73Å; F63-R96 HydrophobicContact CZ-CB 4.17Å; F63-R96 HydrophobicContact CZ-CG 4.34Å; I84-R96 HydrophobicContact CD1-CB 4.02Å; I84-R96 HydrophobicContact CG2-CG 4.21Å; R89-R96 VanDerWaalsContact O-CD 3.27Å; R89-R96 WeakPolarHBondContact O-CD 3.3Å; N90-R96 PolarHBondContact OD1-NH1 3.04Å; C92-R96 WeakPolarHBondContact O-CB 3.5Å; C92-R96 PolarHBondContact O-N 2.89Å; Q93-R96 PolarHBondContact O-N 3.23Å; K94-R96 VanDerWaalsContact C-N 3.26Å; K94-R96 PolarHBondContact O-N 3.16Å; R96-K99 PolarHBondContact O-N 3.42Å; R96-C100 PolarHBondContact O-N 3.16Å; R96-C100 PolarHBondContact O-SG 2.71Å; R96-C100 VanDerWaalsContact O-SG 3.38Å
97	F	98.6	Very high	97.8	Very high	38 Å²	38	57.6 Å²	57.6	17%	0.167	31%	0.308	C	S	.	.	H	α-helix	trans	-68.5	-42.2	179.3	-179.4	-110.3	0	0	0	111.5	F63 F64 T67 I68 Y74 Q93 K94 K99 C100 V101	F63-F97 HydrophobicContact CE1-CB 3.77Å; F63-F97 HydrophobicContact CE1-CD2 4.42Å; F63-F97 HydrophobicContact CZ-CB 3.95Å; F64-F97 HydrophobicContact CD2-CD2 4.19Å; F64-F97 AromaticContact CD2-CE2 3.86Å; F64-F97 HydrophobicContact CD2-CE2 3.86Å; F64-F97 AromaticContact CE2-CE2 3.95Å; F64-F97 HydrophobicContact CE2-CE2 3.95Å; T67-F97 HydrophobicContact CG2-CD1 4.28Å; T67-F97 HydrophobicContact CG2-CD2 3.48Å; T67-F97 VanDerWaalsContact CG2-CD2 3.48Å; T67-F97 HydrophobicContact CG2-CE1 4.32Å; T67-F97 HydrophobicContact CG2-CE2 3.54Å; T67-F97 HydrophobicContact CG2-CG 3.87Å; T67-F97 HydrophobicContact CG2-CZ 3.97Å; I68-F97 HydrophobicContact CD1-CE2 3.75Å; I68-F97 HydrophobicContact CD1-CZ 3.6Å; I68-F97 HydrophobicContact CG1-CE2 4.28Å; Y74-F97 HydrophobicContact CD2-CB 4.27Å; Y74-F97 HydrophobicContact CE2-CB 4.41Å; Q93-F97 WeakPolarHBondContact O-CB 3.23Å; Q93-F97 PolarHBondContact O-N 2.93Å; K94-F97 PolarHBondContact O-N 3.45Å; K94-F97 VanDerWaalsContact O-N 3.14Å; F97-K99 PolarHBondContact O-N 3.08Å; F97-C100 WeakPolarHBondContact O-CA 3.46Å; F97-C100 VanDerWaalsContact O-CB 3.3Å; F97-C100 WeakPolarHBondContact O-CB 3.24Å; F97-C100 PolarHBondContact O-N 3.46Å; F97-V101 HydrophobicContact CD1-CG2 4.44Å; F97-V101 HydrophobicContact CE1-CG2 3.98Å; F97-V101 HydrophobicContact CE2-CG2 4.16Å; F97-V101 HydrophobicContact CZ-CG2 3.82Å; F97-V101 PolarHBondContact O-N 3.01Å
98	D	98.2	Very high	97.7	Very high	54 Å²	54	58.9 Å²	58.9	29%	0.289	31%	0.306	S	S	.	.	H	α-helix	trans	-56.6	-42.9	173	-65	-21.3	0	0	0	110.6	K94 C100 V101 Q102	K94-D98 IonicContact NZ-OD1 3.59Å; K94-D98 PolarHBondContact NZ-OD1 3.25Å; K94-D98 IonicContact NZ-OD2 3.58Å; K94-D98 PolarHBondContact NZ-OD2 2.9Å; K94-D98 VanDerWaalsContact O-CG 3.22Å; K94-D98 PolarHBondContact O-N 3.11Å; D98-C100 PolarHBondContact O-N 3.39Å; D98-V101 PolarHBondContact O-N 3.38Å; D98-Q102 VanDerWaalsContact O-CB 3.23Å; D98-Q102 WeakPolarHBondContact O-CB 3.23Å; D98-Q102 PolarHBondContact O-N 3.06Å
99	K	98.5	Very high	97.7	Very high	71 Å²	71	60.5 Å²	60.5	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-41.6	175.1	-169.9	64.4	176	-177.7	0	112.2	V42 I84 C95 R96 F97 V101 Q102 V103	V42-K99 HydrophobicContact CG1-CB 4.37Å; V42-K99 HydrophobicContact CG1-CG 4.14Å; I84-K99 HydrophobicContact CG1-CB 4.41Å; C95-K99 WeakPolarHBondContact O-CB 3.34Å; C95-K99 PolarHBondContact O-N 3.11Å; R96-K99 PolarHBondContact O-N 3.42Å; F97-K99 PolarHBondContact O-N 3.08Å; K99-V101 VanDerWaalsContact C-N 3.34Å; K99-V101 PolarHBondContact O-N 3.17Å; K99-Q102 PolarHBondContact O-N 3.32Å; K99-V103 HydrophobicContact CD-CG1 4.31Å; K99-V103 HydrophobicContact CG-CG1 4.49Å; K99-V103 WeakPolarHBondContact O-CG1 3.25Å; K99-V103 WeakPolarHBondContact O-CG2 3.34Å; K99-V103 PolarHBondContact O-N 2.95Å
100	C	98.7	Very high	97.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.4	-45.5	174.3	-72.9	0	0	0	0	112.3	F64 R96 F97 D98 V103 M105	F64-C100 HydrophobicContact CD2-CB 3.64Å; F64-C100 HydrophobicContact CE2-CB 4.23Å; R96-C100 PolarHBondContact O-N 3.16Å; R96-C100 PolarHBondContact O-SG 2.71Å; R96-C100 VanDerWaalsContact O-SG 3.38Å; F97-C100 WeakPolarHBondContact O-CA 3.46Å; F97-C100 VanDerWaalsContact O-CB 3.3Å; F97-C100 WeakPolarHBondContact O-CB 3.24Å; F97-C100 PolarHBondContact O-N 3.46Å; D98-C100 PolarHBondContact O-N 3.39Å; C100-V103 VanDerWaalsContact O-CG2 3.29Å; C100-V103 WeakPolarHBondContact O-CG2 3.46Å; C100-M105 HydrophobicContact CB-CG 4.35Å; C100-M105 HydrophobicContact CB-SD 3.68Å; C100-M105 VanDerWaalsContact O-CB 3.28Å; C100-M105 WeakPolarHBondContact O-CB 3.36Å; C100-M105 WeakPolarHBondContact O-CG 3.39Å; C100-M105 PolarHBondContact O-N 3.38Å; C100-M105 VanDerWaalsContact O-N 3.07Å; C100-M105 VanDerWaalsContact SG-SD 3.69Å
101	V	98	Very high	97.6	Very high	71 Å²	71	56.8 Å²	56.8	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-69.2	-43.3	178.1	177.1	0	0	0	0	110.7	F64 F97 D98 K99 V103 G104	F64-V101 HydrophobicContact CE2-CG2 4.39Å; F97-V101 HydrophobicContact CD1-CG2 4.44Å; F97-V101 HydrophobicContact CE1-CG2 3.98Å; F97-V101 HydrophobicContact CE2-CG2 4.16Å; F97-V101 HydrophobicContact CZ-CG2 3.82Å; F97-V101 PolarHBondContact O-N 3.01Å; D98-V101 PolarHBondContact O-N 3.38Å; K99-V101 VanDerWaalsContact C-N 3.34Å; K99-V101 PolarHBondContact O-N 3.17Å; V101-V103 VanDerWaalsContact C-N 3.3Å; V101-V103 PolarHBondContact O-N 2.78Å; V101-G104 WeakPolarHBondContact O-CA 3.26Å; V101-G104 PolarHBondContact O-N 2.69Å
102	Q	97.8	Very high	97.5	Very high	147 Å²	147	52.1 Å²	52.1	69%	0.687	28%	0.281	S	S	*	.	H	α-helix	trans	-58.5	-38.6	179.7	-173.4	-171.9	15.5	0	0	112.7	D98 K99 G104	D98-Q102 VanDerWaalsContact O-CB 3.23Å; D98-Q102 WeakPolarHBondContact O-CB 3.23Å; D98-Q102 PolarHBondContact O-N 3.06Å; K99-Q102 PolarHBondContact O-N 3.32Å; Q102-G104 PolarHBondContact O-N 3.46Å
103	V	98.1	Very high	97.2	Very high	44 Å²	44	55.5 Å²	55.5	27%	0.267	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	0.9	177.5	-57.2	0	0	0	0	113.5	V41 V42 C54 K99 C100 V101 M105	V41-V103 HydrophobicContact CG2-CB 3.98Å; V41-V103 HydrophobicContact CG2-CG1 4.43Å; V41-V103 HydrophobicContact CG2-CG2 3.76Å; V42-V103 HydrophobicContact CG2-CG2 3.76Å; C54-V103 PolarHBondContact SG-O 3.36Å; K99-V103 HydrophobicContact CD-CG1 4.31Å; K99-V103 HydrophobicContact CG-CG1 4.49Å; K99-V103 WeakPolarHBondContact O-CG1 3.25Å; K99-V103 WeakPolarHBondContact O-CG2 3.34Å; K99-V103 PolarHBondContact O-N 2.95Å; C100-V103 VanDerWaalsContact O-CG2 3.29Å; C100-V103 WeakPolarHBondContact O-CG2 3.46Å; V101-V103 VanDerWaalsContact C-N 3.3Å; V101-V103 PolarHBondContact O-N 2.78Å; V103-M105 HydrophobicContact CG2-CG 4.19Å
104	G	98.1	Very high	97	Very high	45 Å²	45	56.4 Å²	56.4	46%	0.464	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	22	172.9	0	0	0	0	0	115.7	C54 V101 Q102 A106	C54-G104 PolarHBondContact SG-O 3.14Å; V101-G104 WeakPolarHBondContact O-CA 3.26Å; V101-G104 PolarHBondContact O-N 2.69Å; Q102-G104 PolarHBondContact O-N 3.46Å; G104-A106 PolarHBondContact O-N 2.95Å
105	M	98.5	Very high	96.9	Very high	7 Å²	7	58 Å²	58	3%	0.034	31%	0.312	C	S	.	.			trans	-62.5	122.5	174.8	-68	-171	74.9	0	0	110.3	V42 Y52 C54 T56 F64 C100 V103 T107	V42-M105 HydrophobicContact CG2-SD 4.12Å; Y52-M105 HydrophobicContact CD2-CE 3.64Å; Y52-M105 HydrophobicContact CG-CE 4.31Å; Y52-M105 WeakPolarHBondContact O-CA 3.36Å; C54-M105 HydrophobicContact CB-CG 3.94Å; C54-M105 PolarHBondContact SG-N 2.92Å; C54-M105 VanDerWaalsContact SG-N 3.4Å; T56-M105 HydrophobicContact CG2-CE 4.31Å; T56-M105 HydrophobicContact CG2-SD 4.11Å; F64-M105 HydrophobicContact CB-CE 3.65Å; F64-M105 HydrophobicContact CB-SD 4.03Å; F64-M105 HydrophobicContact CD1-CB 4.22Å; F64-M105 HydrophobicContact CD1-CE 3.69Å; F64-M105 HydrophobicContact CD1-SD 4.46Å; F64-M105 HydrophobicContact CD2-CB 3.97Å; F64-M105 HydrophobicContact CD2-CE 4.37Å; F64-M105 HydrophobicContact CD2-SD 4.11Å; F64-M105 HydrophobicContact CE1-CB 3.89Å; F64-M105 HydrophobicContact CE1-CE 4.41Å; F64-M105 HydrophobicContact CE2-CB 3.62Å; F64-M105 HydrophobicContact CG-CB 4.24Å; F64-M105 HydrophobicContact CG-CE 3.64Å; F64-M105 HydrophobicContact CG-SD 3.95Å; F64-M105 HydrophobicContact CZ-CB 3.56Å; F64-M105 VanDerWaalsContact CZ-O 3.24Å; F64-M105 WeakPolarHBondContact CZ-O 3.42Å; C100-M105 HydrophobicContact CB-CG 4.35Å; C100-M105 HydrophobicContact CB-SD 3.68Å; C100-M105 VanDerWaalsContact O-CB 3.28Å; C100-M105 WeakPolarHBondContact O-CB 3.36Å; C100-M105 WeakPolarHBondContact O-CG 3.39Å; C100-M105 PolarHBondContact O-N 3.38Å; C100-M105 VanDerWaalsContact O-N 3.07Å; C100-M105 VanDerWaalsContact SG-SD 3.69Å; V103-M105 HydrophobicContact CG2-CG 4.19Å; M105-T107 PolarHBondContact O-N 3.4Å
106	A	97.6	Very high	96.7	Very high	9 Å²	9	61.1 Å²	61.1	7%	0.074	32%	0.322	C	S	.	.			trans	-77	105.2	-171.7	0	0	0	0	0	112.2	Y52 R53 G104 Q108 L109	Y52-A106 PolarHBondContact O-N 3.25Å; R53-A106 HydrophobicContact CB-CB 4.46Å; R53-A106 HydrophobicContact CG-CB 3.95Å; G104-A106 PolarHBondContact O-N 2.95Å; A106-Q108 VanDerWaalsContact C-N 3.32Å; A106-Q108 VanDerWaalsContact C-OE1 3.31Å; A106-Q108 PolarHBondContact O-N 2.96Å; A106-L109 HydrophobicContact CB-CB 4.36Å; A106-L109 HydrophobicContact CB-CD1 3.79Å; A106-L109 HydrophobicContact CB-CG 3.86Å; A106-L109 PolarHBondContact O-N 2.68Å
107	T	95.3	Very high	96.5	Very high	62 Å²	62	64.7 Å²	64.7	38%	0.38	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-64.1	-37.1	-180	55.3	0	0	0	0	112.2	F64 I68 M105 L109 V110	F64-T107 HydrophobicContact CE2-CG2 4.08Å; F64-T107 HydrophobicContact CZ-CG2 3.61Å; I68-T107 HydrophobicContact CD1-CG2 3.68Å; I68-T107 HydrophobicContact CG1-CG2 4.3Å; M105-T107 PolarHBondContact O-N 3.4Å; T107-L109 PolarHBondContact O-N 2.74Å; T107-L109 VanDerWaalsContact O-N 3.16Å; T107-V110 WeakPolarHBondContact O-CB 3.34Å; T107-V110 PolarHBondContact O-N 3.35Å
108	Q	95.4	Very high	96.4	Very high	145 Å²	145	65.4 Å²	65.4	68%	0.678	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-65.8	-14.6	179.9	74.6	-78.8	20.4	0	0	114.1	A106 V110	A106-Q108 VanDerWaalsContact C-N 3.32Å; A106-Q108 VanDerWaalsContact C-OE1 3.31Å; A106-Q108 PolarHBondContact O-N 2.96Å; Q108-V110 VanDerWaalsContact C-N 3.32Å
109	L	96.9	Very high	96.3	Very high	72 Å²	72	68.5 Å²	68.5	38%	0.377	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-88.3	-2.6	174.6	-63	-176.3	0	0	0	112.8	Y52 R53 A106 T107 L111	Y52-L109 HydrophobicContact CD1-CB 4Å; R53-L109 HydrophobicContact CG-CD1 3.74Å; A106-L109 HydrophobicContact CB-CB 4.36Å; A106-L109 HydrophobicContact CB-CD1 3.79Å; A106-L109 HydrophobicContact CB-CG 3.86Å; A106-L109 PolarHBondContact O-N 2.68Å; T107-L109 PolarHBondContact O-N 2.74Å; T107-L109 VanDerWaalsContact O-N 3.16Å; L109-L111 PolarHBondContact O-N 3.42Å
110	V	96.7	Very high	96.2	Very high	15 Å²	15	72.2 Å²	72.2	9%	0.091	38%	0.375	C	S	.	.	S	Bend	trans	-85.1	104.9	174.2	-177.4	0	0	0	0	108.8	Y52 F64 R65 I68 Q69 T107 Q108 S112	Y52-V110 HydrophobicContact CD1-CG2 3.88Å; Y52-V110 HydrophobicContact CE1-CB 4.48Å; Y52-V110 HydrophobicContact CE1-CG2 3.65Å; F64-V110 HydrophobicContact CD1-CG2 4.12Å; F64-V110 HydrophobicContact CE1-CG2 3.8Å; R65-V110 HydrophobicContact CG-CG1 4.16Å; I68-V110 HydrophobicContact CB-CB 4.15Å; I68-V110 HydrophobicContact CB-CG1 3.99Å; I68-V110 HydrophobicContact CB-CG2 4.11Å; I68-V110 HydrophobicContact CG1-CG2 4.24Å; I68-V110 HydrophobicContact CG2-CB 3.74Å; I68-V110 HydrophobicContact CG2-CG1 3.83Å; I68-V110 HydrophobicContact CG2-CG2 4.13Å; Q69-V110 HydrophobicContact CG-CG1 3.48Å; Q69-V110 VanDerWaalsContact CG-CG1 3.48Å; T107-V110 WeakPolarHBondContact O-CB 3.34Å; T107-V110 PolarHBondContact O-N 3.35Å; Q108-V110 VanDerWaalsContact C-N 3.32Å; V110-S112 PolarHBondContact O-N 3.34Å
111	L	94.8	Very high	96.1	Very high	58 Å²	58	78.7 Å²	78.7	30%	0.304	41%	0.406	S	S	.	.			trans	-58.7	129.8	179.5	-56.8	-179.6	0	0	0	111.9	Q69 L109 E115 R116 K119	Q69-L111 PolarHBondContact NE2-O 3.13Å; L109-L111 PolarHBondContact O-N 3.42Å; L111-E115 WeakPolarHBondContact CA-OE2 3.29Å; L111-E115 HydrophobicContact CB-CB 3.99Å; L111-E115 HydrophobicContact CD2-CB 4.13Å; L111-R116 HydrophobicContact CB-CG 3.82Å; L111-K119 HydrophobicContact CD1-CD 3.85Å
112	S	93.6	Very high	96.1	Very high	56 Å²	56	80.4 Å²	80.4	39%	0.392	41%	0.412	S	S	.	.			trans	-61.9	168.6	167.2	66.3	0	0	0	0	111.9	V110 N114 E115 R116	V110-S112 PolarHBondContact O-N 3.34Å; S112-N114 VanDerWaalsContact C-N 3.33Å; S112-N114 PolarHBondContact O-N 3.03Å; S112-E115 VanDerWaalsContact CB-OE2 3.26Å; S112-E115 WeakPolarHBondContact CB-OE2 3.47Å; S112-E115 PolarHBondContact N-OE2 2.97Å; S112-E115 PolarHBondContact O-N 2.85Å; S112-E115 VanDerWaalsContact OG-CG 3.28Å; S112-E115 WeakPolarHBondContact OG-CG 3.19Å; S112-E115 PolarHBondContact OG-N 3.07Å; S112-E115 PolarHBondContact OG-OE2 3.26Å; S112-R116 WeakPolarHBondContact O-CG 3.35Å; S112-R116 PolarHBondContact O-N 2.95Å
113	E	92.1	Very high	96	Very high	84 Å²	84	78.1 Å²	78.1	39%	0.393	40%	0.403	S	S	.	.	H	α-helix	trans	-60.8	-42.8	179.7	-172.9	54.2	-151.7	0	0	112.3	E115 R116 Q117	E113-E115 PolarHBondContact O-N 3.08Å; E113-R116 WeakPolarHBondContact O-CB 3.26Å; E113-R116 PolarHBondContact O-N 3.48Å; E113-R116 IonicContact OE2-CZ 3.54Å; E113-R116 IonicContact OE2-NE 2.84Å; E113-R116 IonicContact OE2-NH1 3.44Å; E113-R116 PolarHBondContact OE2-NH1 3.41Å; E113-Q117 WeakPolarHBondContact O-CG 3.49Å; E113-Q117 PolarHBondContact O-N 2.97Å; E113-Q117 PolarHBondContact OE1-NE2 2.86Å
114	N	95.2	Very high	95.9	Very high	124 Å²	124	80.5 Å²	80.5	66%	0.663	41%	0.411	S	S	*	.	H	α-helix	trans	-62.9	-44.8	177.7	-65.9	-8.7	0	0	0	111.6	S112 R116 Q117 A118	S112-N114 VanDerWaalsContact C-N 3.33Å; S112-N114 PolarHBondContact O-N 3.03Å; N114-R116 VanDerWaalsContact C-N 3.31Å; N114-R116 PolarHBondContact O-N 3.25Å; N114-Q117 PolarHBondContact O-N 3.1Å; N114-A118 WeakPolarHBondContact O-CB 3.23Å; N114-A118 PolarHBondContact O-N 2.91Å
115	E	95.7	Very high	95.8	Very high	96 Å²	96	82 Å²	82	45%	0.449	42%	0.415	S	S	.	.	H	α-helix	trans	-64.9	-34.9	177.4	-69.7	167.4	120	0	0	112.3	L111 S112 E113 K119	L111-E115 WeakPolarHBondContact CA-OE2 3.29Å; L111-E115 HydrophobicContact CB-CB 3.99Å; L111-E115 HydrophobicContact CD2-CB 4.13Å; S112-E115 VanDerWaalsContact CB-OE2 3.26Å; S112-E115 WeakPolarHBondContact CB-OE2 3.47Å; S112-E115 PolarHBondContact N-OE2 2.97Å; S112-E115 PolarHBondContact O-N 2.85Å; S112-E115 VanDerWaalsContact OG-CG 3.28Å; S112-E115 WeakPolarHBondContact OG-CG 3.19Å; S112-E115 PolarHBondContact OG-N 3.07Å; S112-E115 PolarHBondContact OG-OE2 3.26Å; E113-E115 PolarHBondContact O-N 3.08Å; E115-K119 VanDerWaalsContact O-CB 3.28Å; E115-K119 WeakPolarHBondContact O-CB 3.41Å; E115-K119 PolarHBondContact O-N 3.39Å
116	R	93.6	Very high	95.7	Very high	75 Å²	75	83.8 Å²	83.8	28%	0.283	43%	0.425	S	S	.	.	H	α-helix	trans	-66.4	-42.7	174.7	-70.4	168.5	70.1	-157.6	1.4	111.4	L111 S112 E113 N114 K119 R120	L111-R116 HydrophobicContact CB-CG 3.82Å; S112-R116 WeakPolarHBondContact O-CG 3.35Å; S112-R116 PolarHBondContact O-N 2.95Å; E113-R116 WeakPolarHBondContact O-CB 3.26Å; E113-R116 PolarHBondContact O-N 3.48Å; E113-R116 IonicContact OE2-CZ 3.54Å; E113-R116 IonicContact OE2-NE 2.84Å; E113-R116 IonicContact OE2-NH1 3.44Å; E113-R116 PolarHBondContact OE2-NH1 3.41Å; N114-R116 VanDerWaalsContact C-N 3.31Å; N114-R116 PolarHBondContact O-N 3.25Å; R116-K119 PolarHBondContact O-N 3.01Å; R116-R120 WeakPolarHBondContact O-CB 3.48Å; R116-R120 VanDerWaalsContact O-CG 3.29Å; R116-R120 WeakPolarHBondContact O-CG 3.28Å; R116-R120 PolarHBondContact O-N 3.48Å
117	Q	95.5	Very high	95.7	Very high	86 Å²	86	90.8 Å²	90.8	40%	0.402	45%	0.449	S	S	.	.	H	α-helix	trans	-64.5	-47.2	177	-71	177	13	0	0	110.8	E113 N114 K119 R120 Q121	E113-Q117 WeakPolarHBondContact O-CG 3.49Å; E113-Q117 PolarHBondContact O-N 2.97Å; E113-Q117 PolarHBondContact OE1-NE2 2.86Å; N114-Q117 PolarHBondContact O-N 3.1Å; Q117-K119 VanDerWaalsContact C-N 3.34Å; Q117-K119 PolarHBondContact O-N 3.49Å; Q117-R120 WeakPolarHBondContact O-CB 3.45Å; Q117-R120 PolarHBondContact O-N 2.89Å; Q117-R120 VanDerWaalsContact O-N 3.1Å; Q117-Q121 WeakPolarHBondContact O-CG 3.46Å; Q117-Q121 PolarHBondContact O-N 3.04Å
118	A	96.7	Very high	95.6	Very high	52 Å²	52	91.9 Å²	91.9	43%	0.43	45%	0.45	S	S	.	.	H	α-helix	trans	-57.9	-45.1	174.9	0	0	0	0	0	111.9	N114 R120 Q121 L122	N114-A118 WeakPolarHBondContact O-CB 3.23Å; N114-A118 PolarHBondContact O-N 2.91Å; A118-R120 VanDerWaalsContact C-N 3.33Å; A118-R120 PolarHBondContact O-N 2.89Å; A118-Q121 PolarHBondContact O-N 3.33Å; A118-L122 WeakPolarHBondContact O-CB 3.28Å; A118-L122 PolarHBondContact O-N 2.9Å
119	K	95.7	Very high	95.5	Very high	120 Å²	120	91.9 Å²	91.9	52%	0.522	44%	0.443	S	S	.	.	H	α-helix	trans	-61.5	-39.9	175.4	-176	172.9	-178.1	173.2	0	112.2	L111 E115 R116 Q117 I123	L111-K119 HydrophobicContact CD1-CD 3.85Å; E115-K119 VanDerWaalsContact O-CB 3.28Å; E115-K119 WeakPolarHBondContact O-CB 3.41Å; E115-K119 PolarHBondContact O-N 3.39Å; R116-K119 PolarHBondContact O-N 3.01Å; Q117-K119 VanDerWaalsContact C-N 3.34Å; Q117-K119 PolarHBondContact O-N 3.49Å; K119-I123 HydrophobicContact CG-CD1 4.04Å; K119-I123 WeakPolarHBondContact O-CD1 3.42Å; K119-I123 VanDerWaalsContact O-CG1 3.23Å; K119-I123 WeakPolarHBondContact O-CG1 3.44Å; K119-I123 PolarHBondContact O-N 2.94Å
120	R	96.6	Very high	95.4	Very high	148 Å²	148	97.2 Å²	97.2	56%	0.558	46%	0.459	S	S	*	.	H	α-helix	trans	-64.9	-45.9	176.2	-76.3	170.2	174.9	179.2	-3.8	111.6	R116 Q117 A118 L122 I123 E124	R116-R120 WeakPolarHBondContact O-CB 3.48Å; R116-R120 VanDerWaalsContact O-CG 3.29Å; R116-R120 WeakPolarHBondContact O-CG 3.28Å; R116-R120 PolarHBondContact O-N 3.48Å; Q117-R120 WeakPolarHBondContact O-CB 3.45Å; Q117-R120 PolarHBondContact O-N 2.89Å; Q117-R120 VanDerWaalsContact O-N 3.1Å; A118-R120 VanDerWaalsContact C-N 3.33Å; A118-R120 PolarHBondContact O-N 2.89Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 3.25Å; R120-I123 PolarHBondContact O-N 3.13Å; R120-E124 PolarHBondContact O-N 3.13Å
121	Q	97.2	Very high	95.2	Very high	137 Å²	137	100.9 Å²	100.9	64%	0.64	47%	0.474	S	S	*	.	H	α-helix	trans	-60.6	-43.3	176.5	-71.8	172.5	-12.4	0	0	111.6	Q117 A118 I123 E124 S125	Q117-Q121 WeakPolarHBondContact O-CG 3.46Å; Q117-Q121 PolarHBondContact O-N 3.04Å; A118-Q121 PolarHBondContact O-N 3.33Å; Q121-I123 PolarHBondContact O-N 3.07Å; Q121-E124 PolarHBondContact O-N 3.49Å; Q121-S125 WeakPolarHBondContact O-CB 3.33Å; Q121-S125 PolarHBondContact O-N 3.13Å
122	L	96.6	Very high	94.9	Very high	106 Å²	106	101.4 Å²	101.4	56%	0.555	48%	0.479	S	S	*	.	H	α-helix	trans	-62.4	-42.3	175.9	179.3	62.5	0	0	0	112.1	A118 R120 E124 N126	A118-L122 WeakPolarHBondContact O-CB 3.28Å; A118-L122 PolarHBondContact O-N 2.9Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 3.25Å; L122-E124 VanDerWaalsContact C-N 3.33Å; L122-N126 WeakPolarHBondContact CD1-ND2 3.27Å; L122-N126 VanDerWaalsContact O-CB 3.27Å; L122-N126 WeakPolarHBondContact O-CB 3.48Å; L122-N126 VanDerWaalsContact O-CG 3.26Å; L122-N126 PolarHBondContact O-N 2.73Å; L122-N126 PolarHBondContact O-ND2 3.14Å
123	I	96.2	Very high	94.6	Very high	99 Å²	99	104.1 Å²	104.1	51%	0.508	49%	0.485	S	S	.	.	H	α-helix	trans	-62.1	-44	176	-71.5	165.2	0	0	0	110.3	K119 R120 Q121 N126 R127	K119-I123 HydrophobicContact CG-CD1 4.04Å; K119-I123 WeakPolarHBondContact O-CD1 3.42Å; K119-I123 VanDerWaalsContact O-CG1 3.23Å; K119-I123 WeakPolarHBondContact O-CG1 3.44Å; K119-I123 PolarHBondContact O-N 2.94Å; R120-I123 PolarHBondContact O-N 3.13Å; Q121-I123 PolarHBondContact O-N 3.07Å; I123-N126 PolarHBondContact O-N 2.93Å; I123-R127 WeakPolarHBondContact O-CB 3.33Å; I123-R127 PolarHBondContact O-N 3.02Å
124	E	96.2	Very high	94.5	Very high	94 Å²	94	103.1 Å²	103.1	44%	0.439	49%	0.488	S	S	.	.	H	α-helix	trans	-66.4	-48.4	-179.5	-169.8	56.2	-145.5	0	0	111.9	R120 Q121 L122 N126 R127 E128	R120-E124 PolarHBondContact O-N 3.13Å; Q121-E124 PolarHBondContact O-N 3.49Å; L122-E124 VanDerWaalsContact C-N 3.33Å; E124-N126 VanDerWaalsContact C-N 3.3Å; E124-N126 PolarHBondContact O-N 3.32Å; E124-R127 WeakPolarHBondContact O-CA 3.42Å; E124-R127 WeakPolarHBondContact O-CB 3.44Å; E124-R127 PolarHBondContact O-N 2.95Å; E124-E128 PolarHBondContact O-N 2.99Å
125	S	96.2	Very high	94.1	Very high	77 Å²	77	101.7 Å²	101.7	54%	0.538	48%	0.479	S	S	.	.	H	α-helix	trans	-58.6	-41.5	175.8	176.1	0	0	0	0	112.1	Q121 R127 E128 R129	Q121-S125 WeakPolarHBondContact O-CB 3.33Å; Q121-S125 PolarHBondContact O-N 3.13Å; S125-R127 VanDerWaalsContact C-N 3.32Å; S125-R127 PolarHBondContact O-N 3.34Å; S125-E128 PolarHBondContact O-N 2.87Å; S125-R129 WeakPolarHBondContact O-CB 3.47Å; S125-R129 PolarHBondContact O-N 2.76Å
126	N	96.7	Very high	93.5	Very high	45 Å²	45	104.2 Å²	104.2	24%	0.241	49%	0.485	C	S	.	.	H	α-helix	trans	-64.3	-36.7	174.4	-80.7	-43.9	0	0	0	112.8	L122 I123 E124 R129 R130	L122-N126 WeakPolarHBondContact CD1-ND2 3.27Å; L122-N126 VanDerWaalsContact O-CB 3.27Å; L122-N126 WeakPolarHBondContact O-CB 3.48Å; L122-N126 VanDerWaalsContact O-CG 3.26Å; L122-N126 PolarHBondContact O-N 2.73Å; L122-N126 PolarHBondContact O-ND2 3.14Å; I123-N126 PolarHBondContact O-N 2.93Å; E124-N126 VanDerWaalsContact C-N 3.3Å; E124-N126 PolarHBondContact O-N 3.32Å; N126-R129 PolarHBondContact OD1-NH2 3.45Å; N126-R130 WeakPolarHBondContact O-CG 3.42Å; N126-R130 PolarHBondContact O-N 2.9Å; N126-R130 VanDerWaalsContact O-N 3.13Å
127	R	95.8	Very high	93.1	Very high	155 Å²	155	103.7 Å²	103.7	59%	0.585	50%	0.496	S	S	*	.	H	α-helix	trans	-65.7	-43.7	176	-168.2	179.4	-171.5	-173.8	0.8	110.6	I123 E124 S125 R130 K131	I123-R127 WeakPolarHBondContact O-CB 3.33Å; I123-R127 PolarHBondContact O-N 3.02Å; E124-R127 WeakPolarHBondContact O-CA 3.42Å; E124-R127 WeakPolarHBondContact O-CB 3.44Å; E124-R127 PolarHBondContact O-N 2.95Å; S125-R127 VanDerWaalsContact C-N 3.32Å; S125-R127 PolarHBondContact O-N 3.34Å; R127-R130 PolarHBondContact O-N 3.37Å; R127-K131 PolarHBondContact O-N 3.45Å; R127-K131 VanDerWaalsContact O-N 3.14Å
128	E	94.9	Very high	92.5	Very high	85 Å²	85	105.4 Å²	105.4	40%	0.397	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-45.1	178.8	-165.4	51.9	-136.1	0	0	111.8	E124 S125 R130 K131 V132	E124-E128 PolarHBondContact O-N 2.99Å; S125-E128 PolarHBondContact O-N 2.87Å; E128-R130 VanDerWaalsContact C-N 3.26Å; E128-R130 PolarHBondContact O-N 2.97Å; E128-K131 WeakPolarHBondContact O-CB 3.37Å; E128-K131 PolarHBondContact O-N 3.5Å; E128-K131 IonicContact OE2-NZ 2.64Å; E128-K131 PolarHBondContact OE2-NZ 3.1Å; E128-V132 PolarHBondContact O-N 2.93Å
129	R	93.7	Very high	91.8	Very high	145 Å²	145	105.3 Å²	105.3	55%	0.547	50%	0.496	S	S	.	.	H	α-helix	trans	-55.8	-40.5	173.8	-176.7	170.1	60.7	169.1	-0.4	112.5	S125 N126 V132 Q133	S125-R129 WeakPolarHBondContact O-CB 3.47Å; S125-R129 PolarHBondContact O-N 2.76Å; N126-R129 PolarHBondContact OD1-NH2 3.45Å; R129-V132 PolarHBondContact O-N 3.07Å; R129-Q133 WeakPolarHBondContact O-CB 3.46Å; R129-Q133 VanDerWaalsContact O-CG 3.28Å; R129-Q133 WeakPolarHBondContact O-CG 3.41Å; R129-Q133 PolarHBondContact O-N 3.44Å
130	R	93	Very high	90.9	Very high	184 Å²	184	101.3 Å²	101.3	69%	0.694	48%	0.483	S	S	*	.	H	α-helix	trans	-65.6	-35.7	175.9	-74.7	174.8	-175.7	-176.4	1.3	112.7	N126 R127 E128 S134	N126-R130 WeakPolarHBondContact O-CG 3.42Å; N126-R130 PolarHBondContact O-N 2.9Å; N126-R130 VanDerWaalsContact O-N 3.13Å; R127-R130 PolarHBondContact O-N 3.37Å; E128-R130 VanDerWaalsContact C-N 3.26Å; E128-R130 PolarHBondContact O-N 2.97Å; R130-S134 WeakPolarHBondContact O-CB 3.28Å; R130-S134 PolarHBondContact O-N 3.28Å
131	K	92.3	Very high	89.8	Confident	93 Å²	93	97.6 Å²	97.6	40%	0.404	48%	0.48	S	S	.	.	H	α-helix	trans	-65.1	-49.6	175.2	-64.9	-179.7	-158.7	154.3	0	111	R127 E128 Q133 S134 I135	R127-K131 PolarHBondContact O-N 3.45Å; R127-K131 VanDerWaalsContact O-N 3.14Å; E128-K131 WeakPolarHBondContact O-CB 3.37Å; E128-K131 PolarHBondContact O-N 3.5Å; E128-K131 IonicContact OE2-NZ 2.64Å; E128-K131 PolarHBondContact OE2-NZ 3.1Å; K131-Q133 VanDerWaalsContact C-N 3.31Å; K131-Q133 PolarHBondContact O-N 3.38Å; K131-S134 WeakPolarHBondContact O-CB 3.38Å; K131-S134 PolarHBondContact O-N 3.48Å; K131-S134 VanDerWaalsContact O-N 3.1Å; K131-I135 WeakPolarHBondContact O-CG1 3.42Å; K131-I135 PolarHBondContact O-N 3Å
132	V	89.1	Confident	88.5	Confident	68 Å²	68	92.7 Å²	92.7	41%	0.412	47%	0.466	S	S	.	.	H	α-helix	trans	-59.7	-42.5	178.4	176.5	0	0	0	0	111.2	E128 R129 S134 I135 R136	E128-V132 PolarHBondContact O-N 2.93Å; R129-V132 PolarHBondContact O-N 3.07Å; V132-S134 PolarHBondContact O-N 3.35Å; V132-I135 PolarHBondContact O-N 2.93Å; V132-R136 WeakPolarHBondContact O-CG 3.44Å; V132-R136 PolarHBondContact O-N 3.08Å
133	Q	88.7	Confident	87.7	Confident	113 Å²	113	90.4 Å²	90.4	53%	0.528	47%	0.468	S	S	.	.	H	α-helix	trans	-62.5	-40.7	175	-76	174.4	-16.9	0	0	112.4	R129 K131 R136 A137	R129-Q133 WeakPolarHBondContact O-CB 3.46Å; R129-Q133 VanDerWaalsContact O-CG 3.28Å; R129-Q133 WeakPolarHBondContact O-CG 3.41Å; R129-Q133 PolarHBondContact O-N 3.44Å; K131-Q133 VanDerWaalsContact C-N 3.31Å; K131-Q133 PolarHBondContact O-N 3.38Å; Q133-R136 PolarHBondContact O-N 2.99Å; Q133-A137 WeakPolarHBondContact O-CB 3.38Å; Q133-A137 PolarHBondContact O-N 3.25Å
134	S	88.5	Confident	87.4	Confident	64 Å²	64	86.7 Å²	86.7	45%	0.448	45%	0.449	S	S	.	.	H	α-helix	trans	-62.7	-43.4	175.8	-171.7	0	0	0	0	112	R130 K131 V132 A137 Q138	R130-S134 WeakPolarHBondContact O-CB 3.28Å; R130-S134 PolarHBondContact O-N 3.28Å; K131-S134 WeakPolarHBondContact O-CB 3.38Å; K131-S134 PolarHBondContact O-N 3.48Å; K131-S134 VanDerWaalsContact O-N 3.1Å; V132-S134 PolarHBondContact O-N 3.35Å; S134-A137 PolarHBondContact O-N 2.96Å; S134-Q138 WeakPolarHBondContact O-CG 3.5Å; S134-Q138 PolarHBondContact O-N 3.05Å; S134-Q138 VanDerWaalsContact O-N 3.07Å
135	I	86.7	Confident	87.2	Confident	94 Å²	94	84.3 Å²	84.3	48%	0.482	44%	0.443	S	S	.	.	H	α-helix	trans	-65.3	-44.8	178	-66.1	167.5	0	0	0	110.2	K131 V132 A137 Q138 L139	K131-I135 WeakPolarHBondContact O-CG1 3.42Å; K131-I135 PolarHBondContact O-N 3Å; V132-I135 PolarHBondContact O-N 2.93Å; I135-A137 VanDerWaalsContact C-N 3.31Å; I135-A137 PolarHBondContact O-N 2.84Å; I135-Q138 WeakPolarHBondContact O-CB 3.45Å; I135-Q138 PolarHBondContact O-N 3.11Å; I135-Q138 VanDerWaalsContact O-N 3.13Å; I135-L139 HydrophobicContact CG2-CD1 4.4Å; I135-L139 PolarHBondContact O-N 3.38Å
136	R	84.7	Confident	87.1	Confident	149 Å²	149	86.5 Å²	86.5	56%	0.562	45%	0.445	S	S	*	.	H	α-helix	trans	-59.7	-41.4	175.4	-76.7	-172.4	161.6	176.8	-5.4	112.4	V132 Q133 Q138 L139 C140 V318	V132-R136 WeakPolarHBondContact O-CG 3.44Å; V132-R136 PolarHBondContact O-N 3.08Å; Q133-R136 PolarHBondContact O-N 2.99Å; R136-Q138 VanDerWaalsContact C-N 3.28Å; R136-Q138 PolarHBondContact O-N 3.05Å; R136-L139 PolarHBondContact O-N 3.19Å; R136-C140 PolarHBondContact O-N 3.25Å; R136-V318 HydrophobicContact CB-CG2 4.39Å; R136-V318 HydrophobicContact CG-CG2 3.85Å
137	A	83.4	Confident	86.9	Confident	64 Å²	64	88.6 Å²	88.6	53%	0.529	46%	0.463	S	S	.	.	H	α-helix	trans	-64.8	-32	176.6	0	0	0	0	0	112.6	Q133 S134 I135 C140 S141	Q133-A137 WeakPolarHBondContact O-CB 3.38Å; Q133-A137 PolarHBondContact O-N 3.25Å; S134-A137 PolarHBondContact O-N 2.96Å; I135-A137 VanDerWaalsContact C-N 3.31Å; I135-A137 PolarHBondContact O-N 2.84Å; A137-C140 CarbonylContact O-C 3.42Å; A137-S141 WeakPolarHBondContact O-CB 3.42Å; A137-S141 PolarHBondContact O-N 3.13Å
138	Q	84.2	Confident	86.7	Confident	122 Å²	122	83.4 Å²	83.4	57%	0.57	45%	0.445	S	S	*	.	H	α-helix	trans	-72.3	-36.7	173.7	-72.3	171.3	-27.1	0	0	112.4	S134 I135 R136 C140 S141	S134-Q138 WeakPolarHBondContact O-CG 3.5Å; S134-Q138 PolarHBondContact O-N 3.05Å; S134-Q138 VanDerWaalsContact O-N 3.07Å; I135-Q138 WeakPolarHBondContact O-CB 3.45Å; I135-Q138 PolarHBondContact O-N 3.11Å; I135-Q138 VanDerWaalsContact O-N 3.13Å; R136-Q138 VanDerWaalsContact C-N 3.28Å; R136-Q138 PolarHBondContact O-N 3.05Å; Q138-C140 PolarHBondContact O-N 3.41Å; Q138-S141 WeakPolarHBondContact O-CB 3.49Å; Q138-S141 PolarHBondContact O-N 3.4Å; Q138-S141 VanDerWaalsContact O-N 3.11Å; Q138-S141 PolarHBondContact O-OG 2.7Å
139	L	81.2	Confident	86.7	Confident	49 Å²	49	83.4 Å²	83.4	26%	0.257	44%	0.442	S	S	.	.	H	α-helix	trans	-66.6	-28.8	176.3	-70.6	172	0	0	0	112.9	I135 R136 V319 W321	I135-L139 HydrophobicContact CG2-CD1 4.4Å; I135-L139 PolarHBondContact O-N 3.38Å; R136-L139 PolarHBondContact O-N 3.19Å; L139-V319 HydrophobicContact CD1-CG1 3.99Å; L139-W321 HydrophobicContact CD2-CZ2 4.06Å; L139-W321 PolarHBondContact O-NE1 3Å
140	C	77.8	Confident	86.8	Confident	37 Å²	37	80.6 Å²	80.6	25%	0.25	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	13.8	172.8	-60.1	0	0	0	0	112.9	R136 A137 Q138 G142 A311 V318	R136-C140 PolarHBondContact O-N 3.25Å; A137-C140 CarbonylContact O-C 3.42Å; Q138-C140 PolarHBondContact O-N 3.41Å; C140-G142 PolarHBondContact O-N 3.43Å; C140-G142 VanDerWaalsContact O-N 3.08Å; C140-A311 HydrophobicContact CB-CB 4.18Å; C140-V318 WeakPolarHBondContact SG-CB 3.44Å; C140-V318 WeakPolarHBondContact SG-CG1 3.37Å
141	S	72.1	Confident	86.9	Confident	70 Å²	70	74 Å²	74	49%	0.49	41%	0.414	S	S	.	.			trans	-75.1	105.9	179.8	70	0	0	0	0	109.2	A137 Q138	A137-S141 WeakPolarHBondContact O-CB 3.42Å; A137-S141 PolarHBondContact O-N 3.13Å; Q138-S141 WeakPolarHBondContact O-CB 3.49Å; Q138-S141 PolarHBondContact O-N 3.4Å; Q138-S141 VanDerWaalsContact O-N 3.11Å; Q138-S141 PolarHBondContact O-OG 2.7Å
142	G	70.6	Confident	87.1	Confident	33 Å²	33	69.7 Å²	69.7	34%	0.34	40%	0.395	S	S	.	.			trans	156.3	119.9	178.5	0	0	0	0	0	109.3	C140 N308	C140-G142 PolarHBondContact O-N 3.43Å; C140-G142 VanDerWaalsContact O-N 3.08Å; G142-N308 WeakPolarHBondContact CA-OD1 3.32Å
143	G	80.7	Confident	87.5	Confident	59 Å²	59	70 Å²	70	61%	0.608	39%	0.394	S	S	*	.			trans	-85.8	136.8	164.7	0	0	0	0	0	107.9	S145	G143-S145 PolarHBondContact O-N 2.94Å
144	L	89.4	Confident	87.8	Confident	20 Å²	20	67.6 Å²	67.6	11%	0.105	39%	0.39	C	S	.	.			trans	-73.5	107.5	172.3	-170.2	70.5	0	0	0	108.6	E148 R149 I152 N308 Y309 E312	L144-E148 HydrophobicContact CD1-CB 3.58Å; L144-E148 HydrophobicContact CG-CB 4.28Å; L144-R149 HydrophobicContact CD2-CB 4.08Å; L144-R149 HydrophobicContact CD2-CG 4.42Å; L144-R149 HydrophobicContact CG-CB 4.37Å; L144-I152 HydrophobicContact CD1-CD1 3.85Å; L144-N308 HydrophobicContact CB-CB 4.49Å; L144-N308 HydrophobicContact CD1-CB 3.87Å; L144-Y309 HydrophobicContact CD2-CD2 4.27Å; L144-E312 HydrophobicContact CB-CB 4.2Å; L144-E312 HydrophobicContact CB-CG 4.44Å
145	S	91.7	Very high	88.2	Confident	45 Å²	45	64.6 Å²	64.6	32%	0.315	37%	0.369	S	S	.	.			trans	-66.9	157	175.5	64.5	0	0	0	0	111.1	G143 S147 E148 R149	G143-S145 PolarHBondContact O-N 2.94Å; S145-S147 PolarHBondContact O-N 2.77Å; S145-S147 PolarHBondContact OG-OG 3.47Å; S145-E148 WeakPolarHBondContact CB-OE2 3.46Å; S145-E148 PolarHBondContact N-OE2 2.97Å; S145-E148 PolarHBondContact O-N 2.88Å; S145-E148 WeakPolarHBondContact OG-CB 3.47Å; S145-E148 VanDerWaalsContact OG-CG 3.23Å; S145-E148 WeakPolarHBondContact OG-CG 3.23Å; S145-E148 PolarHBondContact OG-N 3.21Å; S145-E148 PolarHBondContact OG-OE2 2.67Å; S145-R149 PolarHBondContact O-N 2.91Å
146	E	93.5	Very high	88.6	Confident	123 Å²	123	61.1 Å²	61.1	58%	0.575	35%	0.352	S	S	*	.	H	α-helix	trans	-58.6	-36.6	176.2	-173.4	56.1	-149	0	0	111.8	R149 N150	E146-R149 PolarHBondContact O-N 3.49Å; E146-N150 PolarHBondContact O-N 3.19Å; E146-N150 PolarHBondContact O-ND2 3.42Å; E146-N150 PolarHBondContact OE1-ND2 2.85Å
147	S	92.4	Very high	89.1	Confident	89 Å²	89	58.1 Å²	58.1	62%	0.622	35%	0.35	S	S	*	.	H	α-helix	trans	-63.2	-41.5	173.8	41.8	0	0	0	0	112.8	S145 F151	S145-S147 PolarHBondContact O-N 2.77Å; S145-S147 PolarHBondContact OG-OG 3.47Å; S147-F151 VanDerWaalsContact O-CB 3.25Å; S147-F151 WeakPolarHBondContact O-CB 3.33Å; S147-F151 PolarHBondContact O-N 3.46Å
148	E	92.9	Very high	89.5	Confident	45 Å²	45	56.7 Å²	56.7	21%	0.21	33%	0.333	C	S	.	.	H	α-helix	trans	-69	-38.5	176.9	-73.7	165.6	120.1	0	0	111.5	L144 S145 F151 I152 N308	L144-E148 HydrophobicContact CD1-CB 3.58Å; L144-E148 HydrophobicContact CG-CB 4.28Å; S145-E148 WeakPolarHBondContact CB-OE2 3.46Å; S145-E148 PolarHBondContact N-OE2 2.97Å; S145-E148 PolarHBondContact O-N 2.88Å; S145-E148 WeakPolarHBondContact OG-CB 3.47Å; S145-E148 VanDerWaalsContact OG-CG 3.23Å; S145-E148 WeakPolarHBondContact OG-CG 3.23Å; S145-E148 PolarHBondContact OG-N 3.21Å; S145-E148 PolarHBondContact OG-OE2 2.67Å; E148-F151 WeakPolarHBondContact O-CB 3.29Å; E148-F151 PolarHBondContact O-N 3.4Å; E148-I152 VanDerWaalsContact O-CG1 3.29Å; E148-I152 WeakPolarHBondContact O-CG1 3.34Å; E148-I152 PolarHBondContact O-N 3.44Å; E148-N308 PolarHBondContact OE1-ND2 2.88Å
149	R	95	Very high	90	Very high	86 Å²	86	50.9 Å²	50.9	33%	0.325	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-52.8	175.6	-174.3	-179.9	-65	-91.3	1.1	111.2	L144 S145 E146 F151 I152 D153 E312	L144-R149 HydrophobicContact CD2-CB 4.08Å; L144-R149 HydrophobicContact CD2-CG 4.42Å; L144-R149 HydrophobicContact CG-CB 4.37Å; S145-R149 PolarHBondContact O-N 2.91Å; E146-R149 PolarHBondContact O-N 3.49Å; R149-F151 PolarHBondContact O-N 3.19Å; R149-I152 PolarHBondContact O-N 3.41Å; R149-I152 VanDerWaalsContact O-N 3.12Å; R149-D153 WeakPolarHBondContact O-CB 3.41Å; R149-D153 VanDerWaalsContact O-CG 3.28Å; R149-D153 PolarHBondContact O-N 3.36Å; R149-E312 IonicContact NH2-OE1 3.39Å
150	N	95.2	Very high	90.4	Very high	86 Å²	86	49.8 Å²	49.8	46%	0.46	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-35.4	177.5	-73.6	-60.3	0	0	0	112.4	E146 S154	E146-N150 PolarHBondContact O-N 3.19Å; E146-N150 PolarHBondContact O-ND2 3.42Å; E146-N150 PolarHBondContact OE1-ND2 2.85Å; N150-S154 VanDerWaalsContact O-CB 3.29Å; N150-S154 WeakPolarHBondContact O-CB 3.37Å; N150-S154 PolarHBondContact O-N 3.5Å
151	F	94.5	Very high	90.8	Very high	46 Å²	46	54.8 Å²	54.8	20%	0.202	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-48	173.9	167	-97.6	0	0	0	112.3	S147 E148 R149 S154 L155 P200 V301 F302 A305	S147-F151 VanDerWaalsContact O-CB 3.25Å; S147-F151 WeakPolarHBondContact O-CB 3.33Å; S147-F151 PolarHBondContact O-N 3.46Å; E148-F151 WeakPolarHBondContact O-CB 3.29Å; E148-F151 PolarHBondContact O-N 3.4Å; R149-F151 PolarHBondContact O-N 3.19Å; F151-S154 PolarHBondContact O-N 3.3Å; F151-L155 PolarHBondContact O-N 3.24Å; F151-P200 HydrophobicContact CD2-CB 4.4Å; F151-P200 HydrophobicContact CD2-CG 4.06Å; F151-P200 HydrophobicContact CE2-CB 3.8Å; F151-P200 HydrophobicContact CE2-CG 3.66Å; F151-V301 HydrophobicContact CZ-CG1 4.27Å; F151-F302 HydrophobicContact CE1-CD1 4.02Å; F151-F302 AromaticContact CE1-CE1 3.9Å; F151-F302 HydrophobicContact CE1-CE1 3.9Å; F151-F302 HydrophobicContact CE2-CE1 4.17Å; F151-F302 HydrophobicContact CE2-CZ 4.33Å; F151-F302 AromaticContact CZ-CD1 3.79Å; F151-F302 HydrophobicContact CZ-CD1 3.79Å; F151-F302 AromaticContact CZ-CE1 3.26Å; F151-F302 HydrophobicContact CZ-CE1 3.26Å; F151-F302 AromaticContact CZ-CZ 3.68Å; F151-F302 HydrophobicContact CZ-CZ 3.68Å; F151-A305 HydrophobicContact CD1-CB 4.44Å; F151-A305 HydrophobicContact CE1-CB 4.09Å
152	I	97	Very high	91	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-43.6	177.7	-66.4	172.6	0	0	0	110.7	L144 E148 R149 S154 L155 T156 C271 L275 A305 Y309	L144-I152 HydrophobicContact CD1-CD1 3.85Å; E148-I152 VanDerWaalsContact O-CG1 3.29Å; E148-I152 WeakPolarHBondContact O-CG1 3.34Å; E148-I152 PolarHBondContact O-N 3.44Å; R149-I152 PolarHBondContact O-N 3.41Å; R149-I152 VanDerWaalsContact O-N 3.12Å; I152-S154 VanDerWaalsContact C-N 3.33Å; I152-S154 PolarHBondContact O-N 2.94Å; I152-L155 PolarHBondContact O-N 3.18Å; I152-T156 WeakPolarHBondContact O-CB 3.43Å; I152-T156 PolarHBondContact O-N 3.24Å; I152-T156 PolarHBondContact O-OG1 2.89Å; I152-C271 HydrophobicContact CG2-CB 3.82Å; I152-L275 HydrophobicContact CD1-CD1 4.3Å; I152-L275 HydrophobicContact CG1-CD1 4.38Å; I152-L275 HydrophobicContact CG2-CD1 4.36Å; I152-A305 HydrophobicContact CD1-CB 4.09Å; I152-A305 HydrophobicContact CG1-CB 4.16Å; I152-Y309 HydrophobicContact CD1-CD2 4.1Å; I152-Y309 HydrophobicContact CD1-CG 4.2Å; I152-Y309 HydrophobicContact CG2-CD2 4.33Å
153	D	96.4	Very high	91.6	Very high	74 Å²	74	51.3 Å²	51.3	40%	0.396	31%	0.306	S	S	.	.	H	α-helix	trans	-61.2	-44.4	178.8	-69.5	-19.4	0	0	0	110.8	R149 L155 T156 V157	R149-D153 WeakPolarHBondContact O-CB 3.41Å; R149-D153 VanDerWaalsContact O-CG 3.28Å; R149-D153 PolarHBondContact O-N 3.36Å; D153-L155 PolarHBondContact O-N 3.46Å; D153-T156 PolarHBondContact O-N 3.22Å; D153-V157 WeakPolarHBondContact O-CG2 3.44Å; D153-V157 PolarHBondContact O-N 3.07Å
154	S	95.6	Very high	91.6	Very high	63 Å²	63	51.1 Å²	51.1	44%	0.441	29%	0.288	S	S	.	.	H	α-helix	trans	-60.1	-46.2	175.2	-177.3	0	0	0	0	111.9	N150 F151 I152 T156 V157 I158	N150-S154 VanDerWaalsContact O-CB 3.29Å; N150-S154 WeakPolarHBondContact O-CB 3.37Å; N150-S154 PolarHBondContact O-N 3.5Å; F151-S154 PolarHBondContact O-N 3.3Å; I152-S154 VanDerWaalsContact C-N 3.33Å; I152-S154 PolarHBondContact O-N 2.94Å; S154-T156 VanDerWaalsContact C-N 3.3Å; S154-T156 PolarHBondContact O-N 3.39Å; S154-V157 PolarHBondContact O-N 3.1Å; S154-I158 WeakPolarHBondContact O-CD1 3.46Å; S154-I158 WeakPolarHBondContact O-CG1 3.36Å; S154-I158 PolarHBondContact O-N 3.48Å; S154-I158 VanDerWaalsContact O-N 3.09Å
155	L	96.2	Very high	90.9	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-39.3	176.4	180	65.1	0	0	0	111.9	F151 I152 D153 V157 I158 Y159 F195 I199 A274 L275 V278 F302	F151-L155 PolarHBondContact O-N 3.24Å; I152-L155 PolarHBondContact O-N 3.18Å; D153-L155 PolarHBondContact O-N 3.46Å; L155-V157 VanDerWaalsContact C-N 3.35Å; L155-V157 PolarHBondContact O-N 3.23Å; L155-I158 WeakPolarHBondContact O-CB 3.49Å; L155-I158 PolarHBondContact O-N 3.4Å; L155-Y159 WeakPolarHBondContact O-CB 3.46Å; L155-Y159 PolarHBondContact O-N 3.03Å; L155-F195 HydrophobicContact CD1-CE2 4.49Å; L155-I199 HydrophobicContact CD1-CG1 4.49Å; L155-A274 HydrophobicContact CD2-CB 4.44Å; L155-A274 HydrophobicContact CG-CB 4.19Å; L155-L275 HydrophobicContact CD2-CD2 3.77Å; L155-L275 HydrophobicContact CD2-CG 4.27Å; L155-V278 HydrophobicContact CD1-CG2 3.69Å; L155-V278 HydrophobicContact CD2-CG2 3.78Å; L155-V278 HydrophobicContact CG-CG2 4.28Å; L155-F302 HydrophobicContact CD2-CD1 4.13Å; L155-F302 HydrophobicContact CD2-CE1 3.98Å
156	T	96.1	Very high	89.9	Confident	22 Å²	22	60.4 Å²	60.4	14%	0.135	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-40.6	180	-56.3	0	0	0	0	111.3	I152 D153 S154 Y159 G160 D270 C271	I152-T156 WeakPolarHBondContact O-CB 3.43Å; I152-T156 PolarHBondContact O-N 3.24Å; I152-T156 PolarHBondContact O-OG1 2.89Å; D153-T156 PolarHBondContact O-N 3.22Å; S154-T156 VanDerWaalsContact C-N 3.3Å; S154-T156 PolarHBondContact O-N 3.39Å; T156-Y159 PolarHBondContact O-N 3.49Å; T156-G160 PolarHBondContact O-N 2.95Å; T156-D270 HydrophobicContact CG2-CB 3.74Å; T156-C271 WeakPolarHBondContact OG1-CA 3.49Å
157	V	94.9	Very high	88.5	Confident	86 Å²	86	60.6 Å²	60.6	52%	0.521	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-42.4	173.7	175.2	0	0	0	0	111.4	D153 S154 L155 G160 N161	D153-V157 WeakPolarHBondContact O-CG2 3.44Å; D153-V157 PolarHBondContact O-N 3.07Å; S154-V157 PolarHBondContact O-N 3.1Å; L155-V157 VanDerWaalsContact C-N 3.35Å; L155-V157 PolarHBondContact O-N 3.23Å; V157-G160 PolarHBondContact O-N 2.87Å; V157-N161 WeakPolarHBondContact CG1-ND2 3.48Å; V157-N161 WeakPolarHBondContact O-CB 3.46Å; V157-N161 PolarHBondContact O-N 2.92Å; V157-N161 PolarHBondContact O-ND2 3.02Å
158	I	92.5	Very high	86.7	Confident	33 Å²	33	66.1 Å²	66.1	17%	0.169	33%	0.331	C	S	.	.	H	α-helix	trans	-60	-47.8	177	-70.7	161.2	0	0	0	110.5	S154 L155 G162 F195 K198	S154-I158 WeakPolarHBondContact O-CD1 3.46Å; S154-I158 WeakPolarHBondContact O-CG1 3.36Å; S154-I158 PolarHBondContact O-N 3.48Å; S154-I158 VanDerWaalsContact O-N 3.09Å; L155-I158 WeakPolarHBondContact O-CB 3.49Å; L155-I158 PolarHBondContact O-N 3.4Å; I158-G162 PolarHBondContact O-N 2.91Å; I158-F195 HydrophobicContact CG2-CD2 3.75Å; I158-F195 HydrophobicContact CG2-CE2 4.04Å; I158-K198 HydrophobicContact CD1-CB 4.08Å; I158-K198 HydrophobicContact CG1-CB 4.32Å; I158-K198 HydrophobicContact CG2-CB 3.7Å; I158-K198 HydrophobicContact CG2-CD 4.15Å
159	Y	93.8	Very high	84.7	Confident	1 Å²	1	68.4 Å²	68.4	0%	0.004	34%	0.344	C	S	.	.	H	α-helix	trans	-61.2	-50.6	177	177.3	-104.9	0	0	0	111.7	L155 T156 N161 F163 K164 F195 A274 A277	L155-Y159 WeakPolarHBondContact O-CB 3.46Å; L155-Y159 PolarHBondContact O-N 3.03Å; T156-Y159 PolarHBondContact O-N 3.49Å; Y159-N161 PolarHBondContact O-N 3.28Å; Y159-F163 HydrophobicContact CD2-CB 4.35Å; Y159-F163 AromaticContact CD2-CD1 3.9Å; Y159-F163 HydrophobicContact CD2-CD1 3.9Å; Y159-F163 AromaticContact CE2-CD1 3.59Å; Y159-F163 HydrophobicContact CE2-CD1 3.59Å; Y159-F163 HydrophobicContact CE2-CE1 4.25Å; Y159-F163 CarbonylContact O-C 3.49Å; Y159-F163 PolarHBondContact O-N 3.02Å; Y159-K164 HydrophobicContact CD1-CB 4.04Å; Y159-K164 HydrophobicContact CD1-CD 4.45Å; Y159-K164 HydrophobicContact CD1-CG 4.36Å; Y159-K164 HydrophobicContact CE1-CB 3.76Å; Y159-K164 HydrophobicContact CE1-CD 4.05Å; Y159-K164 HydrophobicContact CE1-CG 3.72Å; Y159-K164 PolarHBondContact O-N 3.05Å; Y159-F195 HydrophobicContact CD2-CE2 4.09Å; Y159-F195 HydrophobicContact CD2-CZ 4.23Å; Y159-A274 HydrophobicContact CD1-CB 3.93Å; Y159-A274 HydrophobicContact CD2-CB 4.35Å; Y159-A274 HydrophobicContact CG-CB 3.7Å; Y159-A277 HydrophobicContact CD2-CB 4.08Å; Y159-A277 HydrophobicContact CE2-CB 3.76Å
160	G	90.6	Very high	82.3	Confident	26 Å²	26	71.5 Å²	71.5	27%	0.268	37%	0.366	S	S	.	.	I	π-helix	trans	-60.4	-46.3	-177.3	0	0	0	0	0	113.9	T156 V157	T156-G160 PolarHBondContact O-N 2.95Å; V157-G160 PolarHBondContact O-N 2.87Å
161	N	85.1	Confident	79.8	Confident	142 Å²	142	75.1 Å²	75.1	76%	0.759	39%	0.385	S	S	*	.	I	π-helix	trans	-78.9	-29.4	-174.6	-71.8	-22	0	0	0	113.8	V157 Y159	V157-N161 WeakPolarHBondContact CG1-ND2 3.48Å; V157-N161 WeakPolarHBondContact O-CB 3.46Å; V157-N161 PolarHBondContact O-N 2.92Å; V157-N161 PolarHBondContact O-ND2 3.02Å; Y159-N161 PolarHBondContact O-N 3.28Å
162	G	76.4	Confident	77.5	Confident	29 Å²	29	76.1 Å²	76.1	30%	0.299	40%	0.398	S	S	.	.	I	π-helix	trans	-112.4	-23.2	-169.4	0	0	0	0	0	115.5	I158	I158-G162 PolarHBondContact O-N 2.91Å
163	F	83.2	Confident	75.2	Confident	1 Å²	1	80.2 Å²	80.2	0%	0.004	44%	0.44	C	S	.	.	I	π-helix	trans	-135.9	-31.5	-166.2	-168.3	-100.3	0	0	0	114.4	Y159 R165 Y188 M192 F195 L221 R225	Y159-F163 HydrophobicContact CD2-CB 4.35Å; Y159-F163 AromaticContact CD2-CD1 3.9Å; Y159-F163 HydrophobicContact CD2-CD1 3.9Å; Y159-F163 AromaticContact CE2-CD1 3.59Å; Y159-F163 HydrophobicContact CE2-CD1 3.59Å; Y159-F163 HydrophobicContact CE2-CE1 4.25Å; Y159-F163 CarbonylContact O-C 3.49Å; Y159-F163 PolarHBondContact O-N 3.02Å; F163-R165 PolarHBondContact O-N 2.86Å; F163-Y188 HydrophobicContact CE2-CD2 4.45Å; F163-Y188 AromaticContact CE2-CE2 3.58Å; F163-Y188 HydrophobicContact CE2-CE2 3.58Å; F163-Y188 AromaticContact CZ-CE2 3.86Å; F163-Y188 HydrophobicContact CZ-CE2 3.86Å; F163-M192 HydrophobicContact CD2-CB 4.48Å; F163-M192 HydrophobicContact CE2-CB 3.95Å; F163-M192 HydrophobicContact CE2-CG 4.15Å; F163-F195 HydrophobicContact CB-CB 4.14Å; F163-F195 HydrophobicContact CB-CD2 4.02Å; F163-F195 HydrophobicContact CB-CG 4.04Å; F163-F195 HydrophobicContact CD2-CB 4.25Å; F163-F195 HydrophobicContact CD2-CG 4.43Å; F163-F195 HydrophobicContact CG-CB 4.37Å; F163-F195 HydrophobicContact CG-CD1 4.41Å; F163-F195 HydrophobicContact CG-CG 4.19Å; F163-L221 HydrophobicContact CZ-CB 3.99Å; F163-R225 HydrophobicContact CE1-CB 4.2Å; F163-R225 HydrophobicContact CZ-CB 4.48Å; F163-R225 VanDerWaalsContact O-CD 3.28Å; F163-R225 WeakPolarHBondContact O-CD 3.25Å; F163-R225 PolarHBondContact O-NE 2.92Å; F163-R225 PolarHBondContact O-NH1 2.9Å; F163-R225 PolarHBondContact O-NH2 3.22Å
164	K	82.3	Confident	73	Confident	54 Å²	54	81.8 Å²	81.8	24%	0.235	45%	0.449	C	S	.	.	I	π-helix	trans	-60.7	-44.9	-174.1	-172.3	-177.8	-172.7	-172.7	0	113.8	Y159 N229 D270	Y159-K164 HydrophobicContact CD1-CB 4.04Å; Y159-K164 HydrophobicContact CD1-CD 4.45Å; Y159-K164 HydrophobicContact CD1-CG 4.36Å; Y159-K164 HydrophobicContact CE1-CB 3.76Å; Y159-K164 HydrophobicContact CE1-CD 4.05Å; Y159-K164 HydrophobicContact CE1-CG 3.72Å; Y159-K164 PolarHBondContact O-N 3.05Å; K164-N229 PolarHBondContact O-ND2 3.49Å; K164-N229 VanDerWaalsContact O-ND2 3.11Å; K164-D270 IonicContact NZ-OD1 2.96Å; K164-D270 PolarHBondContact NZ-OD1 3.21Å; K164-D270 IonicContact NZ-OD2 3.84Å; K164-D270 PolarHBondContact NZ-OD2 2.97Å
165	R	74.5	Confident	71	Confident	197 Å²	197	81.6 Å²	81.6	74%	0.743	45%	0.445	S	S	*	.	S	Bend	trans	-103.4	131.8	-172.5	-71.9	-178.3	173.8	171.3	0.1	111.7	F163 R225	F163-R165 PolarHBondContact O-N 2.86Å; R165-R225 PolarHBondContact O-NH2 3.13Å
166	F	69.6	Low	68.9	Low	64 Å²	64	87.7 Å²	87.7	28%	0.281	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-56.6	137.6	167.7	-63.8	-78.9	0	0	0	110.2	K168 R225 L226 N229 P240	F166-K168 PolarHBondContact O-N 2.84Å; F166-R225 VanDerWaalsContact CA-NH2 3.27Å; F166-R225 HydrophobicContact CE1-CG 4.43Å; F166-R225 HydrophobicContact CE2-CG 4.28Å; F166-R225 HydrophobicContact CZ-CG 3.97Å; F166-L226 HydrophobicContact CE2-CD1 4.41Å; F166-L226 HydrophobicContact CZ-CB 4.45Å; F166-L226 HydrophobicContact CZ-CD1 4.2Å; F166-N229 HydrophobicContact CE2-CB 4.43Å; F166-P240 HydrophobicContact CD1-CG 3.93Å; F166-P240 HydrophobicContact CE1-CG 3.95Å
167	E	64.4	Low	67.1	Low	126 Å²	126	90.2 Å²	90.2	59%	0.589	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-58.7	131.3	168.8	-81.2	178.6	163.2	0	0	107.8	D169 S187 Q191	E167-D169 PolarHBondContact O-N 3.44Å; E167-S187 PolarHBondContact OE2-OG 3.45Å; E167-Q191 VanDerWaalsContact CD-NE2 3.33Å; E167-Q191 PolarHBondContact OE2-NE2 3.27Å
168	K	55.5	Low	65.6	Low	206 Å²	206	93.5 Å²	93.5	90%	0.896	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-66.9	121	175.6	-76.3	-176.9	176.1	-175.5	0	108.1	F166 I170	F166-K168 PolarHBondContact O-N 2.84Å; K168-I170 PolarHBondContact O-N 3.13Å
169	D	50.8	Low	64.3	Low	92 Å²	92	97.7 Å²	97.7	49%	0.492	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-51.1	133.4	173.3	-73.8	-44.9	0	0	0	110.3	E167 D171 Q184	E167-D169 PolarHBondContact O-N 3.44Å; D169-D171 PolarHBondContact O-N 3.13Å; D169-D171 VanDerWaalsContact O-N 3.12Å; D169-Q184 PolarHBondContact OD1-NE2 3.38Å; D169-Q184 PolarHBondContact OD2-NE2 2.94Å
170	I	44.5	Very low	62.9	Low	151 Å²	151	100.1 Å²	100.1	77%	0.774	54%	0.535	S	S	*	.			trans	-63.9	111.3	159.7	-62.9	172.4	0	0	0	104.8	K168 S172	K168-I170 PolarHBondContact O-N 3.13Å; I170-S172 WeakPolarHBondContact O-CB 3.39Å; I170-S172 PolarHBondContact O-N 2.89Å; I170-S172 PolarHBondContact O-OG 3.33Å
171	D	41.7	Very low	61.7	Low	162 Å²	162	101.2 Å²	101.2	87%	0.866	53%	0.533	S	S	*	.			trans	-32.5	93.7	175.4	-172.2	22.4	0	0	0	112	D169	D169-D171 PolarHBondContact O-N 3.13Å; D169-D171 VanDerWaalsContact O-N 3.12Å
172	S	46.7	Very low	60.9	Low	67 Å²	67	96.3 Å²	96.3	47%	0.469	51%	0.509	S	S	.	.			trans	-130.2	93.8	-177.8	-58	0	0	0	0	106.2	I170 D174	I170-S172 WeakPolarHBondContact O-CB 3.39Å; I170-S172 PolarHBondContact O-N 2.89Å; I170-S172 PolarHBondContact O-OG 3.33Å; S172-D174 PolarHBondContact O-N 3.07Å
173	G	48.5	Very low	60.6	Low	87 Å²	87	98.2 Å²	98.2	90%	0.897	52%	0.518	S	S	*	.	S	Bend	trans	-66.9	30.8	-174	0	0	0	0	0	116.2
174	D	50.9	Low	60.1	Low	108 Å²	108	99.9 Å²	99.9	58%	0.578	53%	0.526	S	S	*	.			trans	-142.6	80.1	173.7	-153.6	-7.6	0	0	0	111.4	S172 N176 I180	S172-D174 PolarHBondContact O-N 3.07Å; D174-N176 PolarHBondContact O-N 3.42Å; D174-I180 WeakPolarHBondContact O-CD1 3.21Å
175	T	51.9	Low	59.7	Low	59 Å²	59	98.3 Å²	98.3	36%	0.362	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-4.8	-175	48.8	0	0	0	0	114.2	N177 A241	T175-N177 VanDerWaalsContact C-N 3.35Å; T175-A241 HydrophobicContact CG2-CB 3.55Å
176	N	52.6	Low	59.8	Low	129 Å²	129	89.7 Å²	89.7	69%	0.69	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.1	-179.2	-80.1	-20.8	0	0	0	114	D174 E178	D174-N176 PolarHBondContact O-N 3.42Å; N176-E178 PolarHBondContact O-N 3.02Å
177	N	58.6	Low	60.3	Low	75 Å²	75	87.4 Å²	87.4	40%	0.401	48%	0.482	S	S	.	.			trans	-78.6	119.2	177.3	-166.6	-9.2	0	0	0	111.2	T175 D179 I180 K181	T175-N177 VanDerWaalsContact C-N 3.35Å; N177-D179 PolarHBondContact O-N 3.33Å; N177-D179 VanDerWaalsContact O-N 3.15Å; N177-D179 PolarHBondContact OD1-N 2.94Å; N177-I180 HydrophobicContact CB-CD1 3.98Å; N177-I180 HydrophobicContact CB-CG1 4.1Å; N177-I180 PolarHBondContact O-N 2.99Å; N177-K181 PolarHBondContact O-N 2.88Å
178	E	63.3	Low	61.3	Low	155 Å²	155	82.4 Å²	82.4	72%	0.724	46%	0.458	S	S	*	.	H	α-helix	trans	-54.2	-31.6	177.2	-72	-173.4	158.4	0	0	112.6	N176 I180 K181 S182	N176-E178 PolarHBondContact O-N 3.02Å; E178-I180 VanDerWaalsContact C-N 3.34Å; E178-I180 PolarHBondContact O-N 2.95Å; E178-K181 PolarHBondContact O-N 3.48Å; E178-S182 WeakPolarHBondContact O-CB 3.33Å; E178-S182 PolarHBondContact O-N 2.87Å
179	D	64.8	Low	62.6	Low	121 Å²	121	72.6 Å²	72.6	65%	0.647	42%	0.415	S	S	*	.	H	α-helix	trans	-64.3	-37.7	177.3	-68.7	-31.6	0	0	0	112.3	N177 S182 S183	N177-D179 PolarHBondContact O-N 3.33Å; N177-D179 VanDerWaalsContact O-N 3.15Å; N177-D179 PolarHBondContact OD1-N 2.94Å; D179-S182 PolarHBondContact O-N 2.89Å; D179-S183 WeakPolarHBondContact O-CB 3.35Å; D179-S183 PolarHBondContact O-N 2.88Å
180	I	65.3	Low	64.3	Low	51 Å²	51	74.1 Å²	74.1	26%	0.262	41%	0.414	S	S	.	.	H	α-helix	trans	-70.5	-43.9	178.8	-63.9	174.7	0	0	0	109.9	D174 N177 E178 S182 S183 Q184	D174-I180 WeakPolarHBondContact O-CD1 3.21Å; N177-I180 HydrophobicContact CB-CD1 3.98Å; N177-I180 HydrophobicContact CB-CG1 4.1Å; N177-I180 PolarHBondContact O-N 2.99Å; E178-I180 VanDerWaalsContact C-N 3.34Å; E178-I180 PolarHBondContact O-N 2.95Å; I180-S182 VanDerWaalsContact C-N 3.31Å; I180-S182 PolarHBondContact O-N 3.47Å; I180-S183 PolarHBondContact O-N 3.02Å; I180-Q184 WeakPolarHBondContact O-CG 3.29Å; I180-Q184 PolarHBondContact O-N 3.08Å
181	K	64.3	Low	66.4	Low	50 Å²	50	68.2 Å²	68.2	22%	0.217	38%	0.383	C	S	.	.	H	α-helix	trans	-53.8	-51.2	173	-72.5	179.2	-176	-155.8	0	110.2	N177 E178 S183 Q184 V185 A242 F346	N177-K181 PolarHBondContact O-N 2.88Å; E178-K181 PolarHBondContact O-N 3.48Å; K181-S183 VanDerWaalsContact C-N 3.33Å; K181-S183 PolarHBondContact O-N 2.84Å; K181-Q184 PolarHBondContact O-N 3.15Å; K181-V185 PolarHBondContact O-N 2.87Å; K181-V185 VanDerWaalsContact O-N 3.11Å; K181-A242 HydrophobicContact CB-CB 4.22Å; K181-A242 HydrophobicContact CD-CB 4.34Å; K181-A242 WeakPolarHBondContact CD-O 3.41Å; K181-A242 WeakPolarHBondContact CE-O 3.31Å; K181-A242 HydrophobicContact CG-CB 3.34Å; K181-A242 PolarHBondContact NZ-O 3.23Å; K181-F346 VanDerWaalsContact C-CZ 3.46Å; K181-F346 HydrophobicContact CB-CE2 4.1Å; K181-F346 HydrophobicContact CB-CZ 3.65Å
182	S	68.6	Low	68.7	Low	39 Å²	39	60.5 Å²	60.5	27%	0.273	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-42.4	-177.4	-175.1	0	0	0	0	111.6	E178 D179 I180 Q184 V185 T186	E178-S182 WeakPolarHBondContact O-CB 3.33Å; E178-S182 PolarHBondContact O-N 2.87Å; D179-S182 PolarHBondContact O-N 2.89Å; I180-S182 VanDerWaalsContact C-N 3.31Å; I180-S182 PolarHBondContact O-N 3.47Å; S182-Q184 PolarHBondContact O-N 3.31Å; S182-V185 PolarHBondContact O-N 3.22Å; S182-T186 VanDerWaalsContact O-CB 3.32Å; S182-T186 WeakPolarHBondContact O-CB 3.43Å; S182-T186 PolarHBondContact O-N 3.13Å; S182-T186 PolarHBondContact O-OG1 3.1Å
183	S	71.7	Confident	70.7	Confident	69 Å²	69	57.5 Å²	57.5	48%	0.483	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-43.4	176.5	-174.4	0	0	0	0	112.6	D179 I180 K181 T186 S187	D179-S183 WeakPolarHBondContact O-CB 3.35Å; D179-S183 PolarHBondContact O-N 2.88Å; I180-S183 PolarHBondContact O-N 3.02Å; K181-S183 VanDerWaalsContact C-N 3.33Å; K181-S183 PolarHBondContact O-N 2.84Å; S183-T186 PolarHBondContact O-N 3.26Å; S183-S187 PolarHBondContact O-N 2.99Å
184	Q	71.1	Confident	72.8	Confident	35 Å²	35	55.6 Å²	55.6	16%	0.164	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-46.5	178.5	-74.7	-178.2	-8.5	0	0	112.2	D169 I180 K181 S182 T186 S187 Y188	D169-Q184 PolarHBondContact OD1-NE2 3.38Å; D169-Q184 PolarHBondContact OD2-NE2 2.94Å; I180-Q184 WeakPolarHBondContact O-CG 3.29Å; I180-Q184 PolarHBondContact O-N 3.08Å; K181-Q184 PolarHBondContact O-N 3.15Å; S182-Q184 PolarHBondContact O-N 3.31Å; Q184-T186 VanDerWaalsContact C-N 3.32Å; Q184-T186 PolarHBondContact O-N 2.82Å; Q184-S187 PolarHBondContact O-N 3.34Å; Q184-Y188 PolarHBondContact O-N 3.2Å
185	V	74	Confident	74.8	Confident	22 Å²	22	50.6 Å²	50.6	13%	0.133	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-41.3	176.2	174.8	0	0	0	0	110.9	K181 S182 S187 Y188 I189 F346 F347	K181-V185 PolarHBondContact O-N 2.87Å; K181-V185 VanDerWaalsContact O-N 3.11Å; S182-V185 PolarHBondContact O-N 3.22Å; V185-S187 VanDerWaalsContact C-N 3.34Å; V185-S187 PolarHBondContact O-N 3.46Å; V185-Y188 WeakPolarHBondContact O-CB 3.34Å; V185-Y188 PolarHBondContact O-N 2.81Å; V185-I189 HydrophobicContact CG1-CD1 3.8Å; V185-I189 HydrophobicContact CG1-CG1 4.36Å; V185-I189 VanDerWaalsContact O-CG1 3.29Å; V185-I189 WeakPolarHBondContact O-CG1 3.34Å; V185-I189 PolarHBondContact O-N 3.38Å; V185-F346 HydrophobicContact CB-CE1 4.25Å; V185-F346 HydrophobicContact CG2-CE1 3.63Å; V185-F346 HydrophobicContact CG2-CZ 4.13Å; V185-F347 HydrophobicContact CG1-CD2 3.94Å; V185-F347 HydrophobicContact CG1-CE2 4.15Å
186	T	77.4	Confident	76.8	Confident	16 Å²	16	47.8 Å²	47.8	10%	0.098	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-36.6	176	-57	0	0	0	0	112.2	S182 S183 Q184 R190 H353	S182-T186 VanDerWaalsContact O-CB 3.32Å; S182-T186 WeakPolarHBondContact O-CB 3.43Å; S182-T186 PolarHBondContact O-N 3.13Å; S182-T186 PolarHBondContact O-OG1 3.1Å; S183-T186 PolarHBondContact O-N 3.26Å; Q184-T186 VanDerWaalsContact C-N 3.32Å; Q184-T186 PolarHBondContact O-N 2.82Å; T186-R190 WeakPolarHBondContact O-CG 3.24Å; T186-R190 PolarHBondContact O-N 2.77Å; T186-R190 VanDerWaalsContact O-N 3.12Å; T186-R190 PolarHBondContact O-NE 3.4Å; T186-H353 HydrophobicContact CG2-CB 4.13Å
187	S	80.7	Confident	78.7	Confident	15 Å²	15	45.1 Å²	45.1	11%	0.105	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-45.8	172.4	-177.7	0	0	0	0	111.3	E167 S183 Q184 V185 I189 R190 Q191	E167-S187 PolarHBondContact OE2-OG 3.45Å; S183-S187 PolarHBondContact O-N 2.99Å; Q184-S187 PolarHBondContact O-N 3.34Å; V185-S187 VanDerWaalsContact C-N 3.34Å; V185-S187 PolarHBondContact O-N 3.46Å; S187-I189 PolarHBondContact O-N 3.36Å; S187-R190 WeakPolarHBondContact O-CB 3.36Å; S187-R190 PolarHBondContact O-N 2.99Å; S187-Q191 WeakPolarHBondContact O-CG 3.38Å; S187-Q191 PolarHBondContact O-N 3.36Å; S187-Q191 PolarHBondContact OG-NE2 3.44Å; S187-Q191 VanDerWaalsContact OG-NE2 3.1Å
188	Y	83.6	Confident	80.4	Confident	22 Å²	22	47.7 Å²	47.7	9%	0.086	24%	0.243	C	C	.	.	H	α-helix	trans	-57.8	-48.1	176.8	168.9	-109.4	0	0	0	112.2	F163 Q184 V185 R190 Q191 M192 C218 L221 A222	F163-Y188 HydrophobicContact CE2-CD2 4.45Å; F163-Y188 AromaticContact CE2-CE2 3.58Å; F163-Y188 HydrophobicContact CE2-CE2 3.58Å; F163-Y188 AromaticContact CZ-CE2 3.86Å; F163-Y188 HydrophobicContact CZ-CE2 3.86Å; Q184-Y188 PolarHBondContact O-N 3.2Å; V185-Y188 WeakPolarHBondContact O-CB 3.34Å; V185-Y188 PolarHBondContact O-N 2.81Å; Y188-R190 VanDerWaalsContact C-N 3.3Å; Y188-R190 PolarHBondContact O-N 3.5Å; Y188-Q191 WeakPolarHBondContact O-CB 3.36Å; Y188-Q191 PolarHBondContact O-N 2.93Å; Y188-M192 WeakPolarHBondContact O-CB 3.23Å; Y188-M192 PolarHBondContact O-N 2.74Å; Y188-C218 WeakPolarHBondContact CE1-O 3.37Å; Y188-C218 WeakPolarHBondContact CE1-SG 3.42Å; Y188-C218 PolarHBondContact OH-O 2.96Å; Y188-L221 VanDerWaalsContact OH-C 3.32Å; Y188-L221 WeakPolarHBondContact OH-CB 3.49Å; Y188-A222 HydrophobicContact CE1-CB 3.71Å; Y188-A222 HydrophobicContact CE2-CB 4.29Å; Y188-A222 VanDerWaalsContact OH-CA 3.28Å; Y188-A222 WeakPolarHBondContact OH-CA 3.45Å; Y188-A222 WeakPolarHBondContact OH-CB 3.46Å; Y188-A222 PolarHBondContact OH-N 3.27Å
189	I	83.5	Confident	81.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-44	177.6	-66.9	166	0	0	0	109.9	V185 S187 Q191 M192 V193 W351 T355	V185-I189 HydrophobicContact CG1-CD1 3.8Å; V185-I189 HydrophobicContact CG1-CG1 4.36Å; V185-I189 VanDerWaalsContact O-CG1 3.29Å; V185-I189 WeakPolarHBondContact O-CG1 3.34Å; V185-I189 PolarHBondContact O-N 3.38Å; S187-I189 PolarHBondContact O-N 3.36Å; I189-Q191 PolarHBondContact O-N 3.19Å; I189-M192 PolarHBondContact O-N 2.79Å; I189-V193 HydrophobicContact CG2-CG2 4.26Å; I189-V193 VanDerWaalsContact O-CG2 3.26Å; I189-V193 WeakPolarHBondContact O-CG2 3.21Å; I189-V193 PolarHBondContact O-N 3.27Å; I189-W351 HydrophobicContact CD1-CE3 3.85Å; I189-W351 HydrophobicContact CD1-CZ3 4.37Å; I189-W351 HydrophobicContact CG1-CE3 4.14Å; I189-W351 HydrophobicContact CG1-CZ3 4.16Å; I189-W351 HydrophobicContact CG2-CE3 4.11Å; I189-W351 HydrophobicContact CG2-CZ3 3.98Å; I189-T355 HydrophobicContact CG2-CG2 4.3Å
190	R	86.5	Confident	83.3	Confident	124 Å²	124	37.2 Å²	37.2	47%	0.468	20%	0.195	S	C	.	.	H	α-helix	trans	-61.5	-43.3	175.8	-77.1	-178.9	-75.7	157.8	-8.1	112.7	T186 S187 Y188 M192 V193 A194	T186-R190 WeakPolarHBondContact O-CG 3.24Å; T186-R190 PolarHBondContact O-N 2.77Å; T186-R190 VanDerWaalsContact O-N 3.12Å; T186-R190 PolarHBondContact O-NE 3.4Å; S187-R190 WeakPolarHBondContact O-CB 3.36Å; S187-R190 PolarHBondContact O-N 2.99Å; Y188-R190 VanDerWaalsContact C-N 3.3Å; Y188-R190 PolarHBondContact O-N 3.5Å; R190-M192 VanDerWaalsContact C-N 3.32Å; R190-M192 PolarHBondContact O-N 3.42Å; R190-V193 PolarHBondContact O-N 2.96Å; R190-A194 VanDerWaalsContact O-CB 3.23Å; R190-A194 WeakPolarHBondContact O-CB 3.27Å; R190-A194 PolarHBondContact O-N 2.87Å
191	Q	88.8	Confident	84.7	Confident	26 Å²	26	35.4 Å²	35.4	12%	0.121	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-42.3	175.3	-73.7	171.1	44.9	0	0	111.4	E167 S187 Y188 I189 A194 F195	E167-Q191 VanDerWaalsContact CD-NE2 3.33Å; E167-Q191 PolarHBondContact OE2-NE2 3.27Å; S187-Q191 WeakPolarHBondContact O-CG 3.38Å; S187-Q191 PolarHBondContact O-N 3.36Å; S187-Q191 PolarHBondContact OG-NE2 3.44Å; S187-Q191 VanDerWaalsContact OG-NE2 3.1Å; Y188-Q191 WeakPolarHBondContact O-CB 3.36Å; Y188-Q191 PolarHBondContact O-N 2.93Å; I189-Q191 PolarHBondContact O-N 3.19Å; Q191-A194 PolarHBondContact O-N 3.12Å; Q191-F195 VanDerWaalsContact O-CB 3.28Å; Q191-F195 WeakPolarHBondContact O-CB 3.42Å; Q191-F195 PolarHBondContact O-N 3.43Å
192	M	89.1	Confident	86.3	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.1	-46.2	177.8	-173.9	-169.3	73.3	0	0	112.2	F163 Y188 I189 R190 A194 F195 A196 L214 C218 L221 W351	F163-M192 HydrophobicContact CD2-CB 4.48Å; F163-M192 HydrophobicContact CE2-CB 3.95Å; F163-M192 HydrophobicContact CE2-CG 4.15Å; Y188-M192 WeakPolarHBondContact O-CB 3.23Å; Y188-M192 PolarHBondContact O-N 2.74Å; I189-M192 PolarHBondContact O-N 2.79Å; R190-M192 VanDerWaalsContact C-N 3.32Å; R190-M192 PolarHBondContact O-N 3.42Å; M192-A194 VanDerWaalsContact C-N 3.33Å; M192-A194 PolarHBondContact O-N 3.01Å; M192-F195 WeakPolarHBondContact O-CB 3.44Å; M192-F195 PolarHBondContact O-N 2.72Å; M192-A196 WeakPolarHBondContact O-CB 3.49Å; M192-A196 PolarHBondContact O-N 2.83Å; M192-L214 HydrophobicContact CE-CB 4.02Å; M192-L214 HydrophobicContact CE-CD2 3.49Å; M192-L214 VanDerWaalsContact CE-CD2 3.49Å; M192-L214 HydrophobicContact CE-CG 4.39Å; M192-L214 HydrophobicContact CG-CD2 4.2Å; M192-L214 HydrophobicContact SD-CD2 4.33Å; M192-C218 HydrophobicContact CE-CB 3.63Å; M192-C218 VanDerWaalsContact CE-SG 3.51Å; M192-C218 WeakPolarHBondContact SD-CA 2.98Å; M192-C218 HydrophobicContact SD-CB 3.65Å; M192-C218 PolarHBondContact SD-SG 3.29Å; M192-L221 HydrophobicContact CG-CD1 3.86Å; M192-L221 HydrophobicContact SD-CD1 3.7Å; M192-W351 HydrophobicContact CE-CH2 3.58Å; M192-W351 HydrophobicContact CE-CZ3 3.89Å
193	V	90.4	Very high	87.4	Confident	4 Å²	4	34.4 Å²	34.4	2%	0.024	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-45.6	175.7	173.3	0	0	0	0	109.9	I189 R190 F195 A196 Q197 L214 T355 I358	I189-V193 HydrophobicContact CG2-CG2 4.26Å; I189-V193 VanDerWaalsContact O-CG2 3.26Å; I189-V193 WeakPolarHBondContact O-CG2 3.21Å; I189-V193 PolarHBondContact O-N 3.27Å; R190-V193 PolarHBondContact O-N 2.96Å; V193-F195 VanDerWaalsContact C-N 3.31Å; V193-F195 PolarHBondContact O-N 2.98Å; V193-A196 PolarHBondContact O-N 3.23Å; V193-Q197 HydrophobicContact CG1-CG 4.41Å; V193-Q197 VanDerWaalsContact O-CG 3.31Å; V193-Q197 WeakPolarHBondContact O-CG 3.49Å; V193-Q197 PolarHBondContact O-N 3.44Å; V193-L214 HydrophobicContact CG2-CD1 4.28Å; V193-T355 HydrophobicContact CG2-CG2 4.4Å; V193-I358 HydrophobicContact CG1-CD1 4.35Å; V193-I358 HydrophobicContact CG1-CG1 3.93Å; V193-I358 HydrophobicContact CG2-CD1 4.35Å
194	A	90.9	Very high	88.5	Confident	47 Å²	47	38.8 Å²	38.8	39%	0.388	20%	0.201	S	C	.	.	H	α-helix	trans	-64.4	-34.4	177.5	0	0	0	0	0	113	R190 Q191 M192 K198	R190-A194 VanDerWaalsContact O-CB 3.23Å; R190-A194 WeakPolarHBondContact O-CB 3.27Å; R190-A194 PolarHBondContact O-N 2.87Å; Q191-A194 PolarHBondContact O-N 3.12Å; M192-A194 VanDerWaalsContact C-N 3.33Å; M192-A194 PolarHBondContact O-N 3.01Å; A194-K198 WeakPolarHBondContact O-CD 3.19Å; A194-K198 WeakPolarHBondContact O-CG 3.44Å
195	F	93.1	Very high	89.7	Confident	3 Å²	3	37.7 Å²	37.7	1%	0.013	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-51.7	171.8	168.3	-106.9	0	0	0	110.7	L155 I158 Y159 F163 Q191 M192 V193 Q197 K198 I199 A277 V278	L155-F195 HydrophobicContact CD1-CE2 4.49Å; I158-F195 HydrophobicContact CG2-CD2 3.75Å; I158-F195 HydrophobicContact CG2-CE2 4.04Å; Y159-F195 HydrophobicContact CD2-CE2 4.09Å; Y159-F195 HydrophobicContact CD2-CZ 4.23Å; F163-F195 HydrophobicContact CB-CB 4.14Å; F163-F195 HydrophobicContact CB-CD2 4.02Å; F163-F195 HydrophobicContact CB-CG 4.04Å; F163-F195 HydrophobicContact CD2-CB 4.25Å; F163-F195 HydrophobicContact CD2-CG 4.43Å; F163-F195 HydrophobicContact CG-CB 4.37Å; F163-F195 HydrophobicContact CG-CD1 4.41Å; F163-F195 HydrophobicContact CG-CG 4.19Å; Q191-F195 VanDerWaalsContact O-CB 3.28Å; Q191-F195 WeakPolarHBondContact O-CB 3.42Å; Q191-F195 PolarHBondContact O-N 3.43Å; M192-F195 WeakPolarHBondContact O-CB 3.44Å; M192-F195 PolarHBondContact O-N 2.72Å; V193-F195 VanDerWaalsContact C-N 3.31Å; V193-F195 PolarHBondContact O-N 2.98Å; F195-Q197 PolarHBondContact O-N 2.57Å; F195-K198 WeakPolarHBondContact O-CB 3.34Å; F195-K198 PolarHBondContact O-N 3.1Å; F195-I199 HydrophobicContact CD1-CD1 4.31Å; F195-I199 HydrophobicContact CE1-CD1 3.86Å; F195-I199 HydrophobicContact CE1-CG1 4.34Å; F195-I199 HydrophobicContact CZ-CD1 4.23Å; F195-I199 HydrophobicContact CZ-CG1 4.31Å; F195-I199 PolarHBondContact O-N 2.94Å; F195-A277 HydrophobicContact CE1-CB 4.38Å; F195-A277 HydrophobicContact CZ-CB 4.29Å; F195-V278 HydrophobicContact CZ-CG2 3.96Å
196	A	94.1	Very high	90.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-42.9	-177.2	0	0	0	0	0	113.1	M192 V193 K198 I199 F202 L214 L281	M192-A196 WeakPolarHBondContact O-CB 3.49Å; M192-A196 PolarHBondContact O-N 2.83Å; V193-A196 PolarHBondContact O-N 3.23Å; A196-K198 PolarHBondContact O-N 3.46Å; A196-K198 VanDerWaalsContact O-N 3.13Å; A196-I199 HydrophobicContact CB-CD1 4.42Å; A196-I199 WeakPolarHBondContact O-CB 3.2Å; A196-I199 PolarHBondContact O-N 3.46Å; A196-F202 HydrophobicContact CB-CD1 4.19Å; A196-F202 HydrophobicContact CB-CE1 3.82Å; A196-F202 HydrophobicContact CB-CZ 4.01Å; A196-F202 WeakPolarHBondContact O-CB 3.47Å; A196-F202 WeakPolarHBondContact O-CD1 3.45Å; A196-F202 WeakPolarHBondContact O-CG 3.22Å; A196-L214 HydrophobicContact CB-CD2 3.63Å; A196-L214 HydrophobicContact CB-CG 4.47Å; A196-L281 HydrophobicContact CB-CD2 3.62Å
197	Q	93.2	Very high	91.4	Very high	73 Å²	73	42 Å²	42	34%	0.341	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.2	177.3	-69.5	-66.5	-13.2	0	0	113.5	V193 F195	V193-Q197 HydrophobicContact CG1-CG 4.41Å; V193-Q197 VanDerWaalsContact O-CG 3.31Å; V193-Q197 WeakPolarHBondContact O-CG 3.49Å; V193-Q197 PolarHBondContact O-N 3.44Å; F195-Q197 PolarHBondContact O-N 2.57Å
198	K	93.8	Very high	91.9	Very high	129 Å²	129	46.1 Å²	46.1	56%	0.561	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-9.2	175.8	-67.7	175	-176.6	176.6	0	113.2	I158 A194 F195 A196 P200	I158-K198 HydrophobicContact CD1-CB 4.08Å; I158-K198 HydrophobicContact CG1-CB 4.32Å; I158-K198 HydrophobicContact CG2-CB 3.7Å; I158-K198 HydrophobicContact CG2-CD 4.15Å; A194-K198 WeakPolarHBondContact O-CD 3.19Å; A194-K198 WeakPolarHBondContact O-CG 3.44Å; F195-K198 WeakPolarHBondContact O-CB 3.34Å; F195-K198 PolarHBondContact O-N 3.1Å; A196-K198 PolarHBondContact O-N 3.46Å; A196-K198 VanDerWaalsContact O-N 3.13Å; K198-P200 WeakPolarHBondContact O-CD 3.33Å
199	I	95.5	Very high	92.3	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.234	C	C	.	.	S	Bend	trans	-66.6	123.9	175.6	-62.9	170.2	0	0	0	108.3	L155 F195 A196 G201 F202 V278 L281 F302	L155-I199 HydrophobicContact CD1-CG1 4.49Å; F195-I199 HydrophobicContact CD1-CD1 4.31Å; F195-I199 HydrophobicContact CE1-CD1 3.86Å; F195-I199 HydrophobicContact CE1-CG1 4.34Å; F195-I199 HydrophobicContact CZ-CD1 4.23Å; F195-I199 HydrophobicContact CZ-CG1 4.31Å; F195-I199 PolarHBondContact O-N 2.94Å; A196-I199 HydrophobicContact CB-CD1 4.42Å; A196-I199 WeakPolarHBondContact O-CB 3.2Å; A196-I199 PolarHBondContact O-N 3.46Å; I199-G201 PolarHBondContact O-N 3.22Å; I199-F202 HydrophobicContact CB-CB 3.87Å; I199-F202 HydrophobicContact CG2-CB 4.2Å; I199-F202 VanDerWaalsContact O-CB 3.31Å; I199-F202 WeakPolarHBondContact O-CB 3.44Å; I199-F202 PolarHBondContact O-N 3.3Å; I199-F202 VanDerWaalsContact O-N 3.1Å; I199-V278 HydrophobicContact CD1-CB 4.48Å; I199-V278 HydrophobicContact CD1-CG1 4.27Å; I199-V278 HydrophobicContact CD1-CG2 3.83Å; I199-V278 HydrophobicContact CG1-CG2 4.02Å; I199-V278 HydrophobicContact CG2-CG1 3.96Å; I199-V278 HydrophobicContact CG2-CG2 4.31Å; I199-L281 HydrophobicContact CD1-CD2 3.72Å; I199-F302 HydrophobicContact CG2-CE1 4.09Å; I199-F302 HydrophobicContact CG2-CE2 4.06Å; I199-F302 HydrophobicContact CG2-CZ 3.42Å; I199-F302 VanDerWaalsContact CG2-CZ 3.42Å
200	P	94.4	Very high	92.8	Very high	54 Å²	54	45.9 Å²	45.9	35%	0.351	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	132.7	179.4	-19.9	30.9	0	0	0	111.1	F151 K198 F202	F151-P200 HydrophobicContact CD2-CB 4.4Å; F151-P200 HydrophobicContact CD2-CG 4.06Å; F151-P200 HydrophobicContact CE2-CB 3.8Å; F151-P200 HydrophobicContact CE2-CG 3.66Å; K198-P200 WeakPolarHBondContact O-CD 3.33Å; P200-F202 VanDerWaalsContact C-N 3.28Å; P200-F202 PolarHBondContact O-N 2.73Å
201	G	95.1	Very high	92.9	Very high	13 Å²	13	42.9 Å²	42.9	13%	0.134	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-21.4	-176.7	0	0	0	0	0	114.7	I199 S203 Q204	I199-G201 PolarHBondContact O-N 3.22Å; G201-S203 VanDerWaalsContact C-N 3.3Å; G201-S203 PolarHBondContact O-N 2.74Å; G201-Q204 WeakPolarHBondContact O-CB 3.16Å; G201-Q204 PolarHBondContact O-N 3.42Å; G201-Q204 VanDerWaalsContact O-N 3.08Å
202	F	96.1	Very high	92.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-63.1	-36.1	-178.8	-171.8	-97.2	0	0	0	112.9	A196 I199 P200 Q204 L205 K210 L213 L214 L281 L282	A196-F202 HydrophobicContact CB-CD1 4.19Å; A196-F202 HydrophobicContact CB-CE1 3.82Å; A196-F202 HydrophobicContact CB-CZ 4.01Å; A196-F202 WeakPolarHBondContact O-CB 3.47Å; A196-F202 WeakPolarHBondContact O-CD1 3.45Å; A196-F202 WeakPolarHBondContact O-CG 3.22Å; I199-F202 HydrophobicContact CB-CB 3.87Å; I199-F202 HydrophobicContact CG2-CB 4.2Å; I199-F202 VanDerWaalsContact O-CB 3.31Å; I199-F202 WeakPolarHBondContact O-CB 3.44Å; I199-F202 PolarHBondContact O-N 3.3Å; I199-F202 VanDerWaalsContact O-N 3.1Å; P200-F202 VanDerWaalsContact C-N 3.28Å; P200-F202 PolarHBondContact O-N 2.73Å; F202-Q204 PolarHBondContact O-N 2.71Å; F202-Q204 VanDerWaalsContact O-N 3.15Å; F202-L205 HydrophobicContact CD2-CD1 4Å; F202-L205 HydrophobicContact CE2-CD1 4.21Å; F202-L205 PolarHBondContact O-N 3.09Å; F202-K210 HydrophobicContact CD1-CD 4.5Å; F202-K210 HydrophobicContact CD1-CG 4.33Å; F202-K210 HydrophobicContact CE1-CB 4Å; F202-K210 HydrophobicContact CE1-CD 4.15Å; F202-K210 HydrophobicContact CE1-CG 3.76Å; F202-K210 HydrophobicContact CZ-CB 3.96Å; F202-K210 HydrophobicContact CZ-CG 3.95Å; F202-K210 WeakPolarHBondContact O-CE 3.46Å; F202-L213 HydrophobicContact CE2-CD1 4.14Å; F202-L214 HydrophobicContact CE1-CD1 4.42Å; F202-L214 HydrophobicContact CZ-CD1 4.25Å; F202-L214 HydrophobicContact CZ-CG 4.21Å; F202-L281 HydrophobicContact CD2-CD2 4.43Å; F202-L281 HydrophobicContact CE2-CD2 3.93Å; F202-L281 HydrophobicContact CE2-CG 4.29Å; F202-L281 HydrophobicContact CZ-CD2 4.38Å; F202-L282 HydrophobicContact CD2-CD2 3.98Å; F202-L282 HydrophobicContact CE2-CD2 4.34Å
203	S	93.5	Very high	93.1	Very high	69 Å²	69	42.8 Å²	42.8	48%	0.483	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-63.4	-18.1	177.4	58.1	0	0	0	0	114.1	G201 K210	G201-S203 VanDerWaalsContact C-N 3.3Å; G201-S203 PolarHBondContact O-N 2.74Å; S203-K210 WeakPolarHBondContact O-CE 3.39Å; S203-K210 PolarHBondContact O-NZ 3.47Å
204	Q	94.6	Very high	93.1	Very high	160 Å²	160	42.6 Å²	42.6	75%	0.748	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-85.4	-13.4	-177.6	-58.8	163.4	9.9	0	0	113	G201 F202	G201-Q204 WeakPolarHBondContact O-CB 3.16Å; G201-Q204 PolarHBondContact O-N 3.42Å; G201-Q204 VanDerWaalsContact O-N 3.08Å; F202-Q204 PolarHBondContact O-N 2.71Å; F202-Q204 VanDerWaalsContact O-N 3.15Å
205	L	95.3	Very high	92.9	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.068	23%	0.23	C	C	.	.	S	Bend	trans	-69.7	157.8	173.2	-57.9	177.6	0	0	0	110.6	F202 K210 L213 L282 K294 V295 L298	F202-L205 HydrophobicContact CD2-CD1 4Å; F202-L205 HydrophobicContact CE2-CD1 4.21Å; F202-L205 PolarHBondContact O-N 3.09Å; L205-K210 HydrophobicContact CB-CG 4.01Å; L205-K210 WeakPolarHBondContact O-CE 3.29Å; L205-K210 PolarHBondContact O-NZ 2.89Å; L205-L213 HydrophobicContact CD1-CD1 3.93Å; L205-L282 HydrophobicContact CD1-CD2 4.38Å; L205-K294 HydrophobicContact CD2-CB 4.09Å; L205-V295 HydrophobicContact CD1-CG2 4.08Å; L205-V295 HydrophobicContact CD2-CG2 4.03Å; L205-L298 HydrophobicContact CD1-CD2 4.21Å; L205-L298 HydrophobicContact CG-CD2 4.4Å
206	C	94.4	Very high	92.5	Very high	29 Å²	29	46.2 Å²	46.2	20%	0.196	24%	0.238	C	C	.	.			trans	-69.4	151.6	172.5	74.9	0	0	0	0	110.8	Q208 D209 K210	C206-Q208 PolarHBondContact O-N 3.01Å; C206-D209 PolarHBondContact O-N 3.15Å; C206-D209 VanDerWaalsContact O-N 3.13Å; C206-D209 VanDerWaalsContact SG-CB 3.58Å; C206-D209 PolarHBondContact SG-N 2.99Å; C206-K210 WeakPolarHBondContact O-CG 3.24Å; C206-K210 PolarHBondContact O-N 3.49Å
207	D	92.6	Very high	92.3	Very high	99 Å²	99	46.2 Å²	46.2	53%	0.529	24%	0.238	S	C	.	.	H	α-helix	trans	-66.1	-30.1	-173.6	-58.5	-35	0	0	0	112.5	K210 F211	D207-K210 PolarHBondContact O-N 2.86Å; D207-K210 IonicContact OD1-NZ 2.69Å; D207-K210 PolarHBondContact OD1-NZ 2.82Å; D207-F211 VanDerWaalsContact O-CB 3.31Å; D207-F211 WeakPolarHBondContact O-CB 3.29Å; D207-F211 PolarHBondContact O-N 2.9Å
208	Q	90.8	Very high	92	Very high	101 Å²	101	42.8 Å²	42.8	47%	0.472	22%	0.222	S	C	.	.	H	α-helix	trans	-61.4	-44	173.4	-173.8	58	38.7	0	0	111.8	C206 T212 E290	C206-Q208 PolarHBondContact O-N 3.01Å; Q208-T212 WeakPolarHBondContact O-CB 3.33Å; Q208-T212 PolarHBondContact O-N 3.46Å; Q208-T212 PolarHBondContact O-OG1 3.13Å; Q208-E290 HydrophobicContact CB-CG 4.46Å; Q208-E290 HydrophobicContact CG-CG 4.09Å
209	D	92.9	Very high	91.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-72.2	-42.2	178.3	-76	-5.2	0	0	0	111.3	C206 F211 T212 L213 L289 E290 Q291	C206-D209 PolarHBondContact O-N 3.15Å; C206-D209 VanDerWaalsContact O-N 3.13Å; C206-D209 VanDerWaalsContact SG-CB 3.58Å; C206-D209 PolarHBondContact SG-N 2.99Å; D209-F211 VanDerWaalsContact C-N 3.32Å; D209-F211 PolarHBondContact O-N 3.48Å; D209-T212 PolarHBondContact O-N 3.47Å; D209-T212 VanDerWaalsContact O-N 3.14Å; D209-L213 WeakPolarHBondContact O-CB 3.48Å; D209-L213 VanDerWaalsContact O-CG 3.26Å; D209-L213 WeakPolarHBondContact O-CG 3.39Å; D209-L213 PolarHBondContact O-N 3.19Å; D209-L289 HydrophobicContact CB-CD2 3.88Å; D209-L289 VanDerWaalsContact OD1-CA 3.22Å; D209-L289 WeakPolarHBondContact OD1-CA 3.48Å; D209-L289 WeakPolarHBondContact OD1-CB 3.44Å; D209-E290 PolarHBondContact OD1-N 3.45Å; D209-Q291 WeakPolarHBondContact OD2-CA 3.37Å; D209-Q291 WeakPolarHBondContact OD2-CB 3.26Å; D209-Q291 PolarHBondContact OD2-N 3.31Å
210	K	92.7	Very high	91.1	Very high	16 Å²	16	38.8 Å²	38.8	7%	0.07	21%	0.205	C	C	.	.	H	α-helix	trans	-54.4	-50.1	173.4	-67.9	175.2	-169	147.2	0	111.3	F202 S203 L205 C206 D207 T212 L213 L214	F202-K210 HydrophobicContact CD1-CD 4.5Å; F202-K210 HydrophobicContact CD1-CG 4.33Å; F202-K210 HydrophobicContact CE1-CB 4Å; F202-K210 HydrophobicContact CE1-CD 4.15Å; F202-K210 HydrophobicContact CE1-CG 3.76Å; F202-K210 HydrophobicContact CZ-CB 3.96Å; F202-K210 HydrophobicContact CZ-CG 3.95Å; F202-K210 WeakPolarHBondContact O-CE 3.46Å; S203-K210 WeakPolarHBondContact O-CE 3.39Å; S203-K210 PolarHBondContact O-NZ 3.47Å; L205-K210 HydrophobicContact CB-CG 4.01Å; L205-K210 WeakPolarHBondContact O-CE 3.29Å; L205-K210 PolarHBondContact O-NZ 2.89Å; C206-K210 WeakPolarHBondContact O-CG 3.24Å; C206-K210 PolarHBondContact O-N 3.49Å; D207-K210 PolarHBondContact O-N 2.86Å; D207-K210 IonicContact OD1-NZ 2.69Å; D207-K210 PolarHBondContact OD1-NZ 2.82Å; K210-T212 VanDerWaalsContact C-N 3.33Å; K210-T212 PolarHBondContact O-N 3.23Å; K210-L213 PolarHBondContact O-N 3.12Å; K210-L214 WeakPolarHBondContact O-CB 3.49Å; K210-L214 WeakPolarHBondContact O-CD1 3.4Å; K210-L214 VanDerWaalsContact O-CG 3.31Å; K210-L214 WeakPolarHBondContact O-CG 3.39Å; K210-L214 PolarHBondContact O-N 3.44Å
211	F	89.3	Confident	90.9	Very high	62 Å²	62	36.2 Å²	36.2	27%	0.272	19%	0.188	S	C	.	.	H	α-helix	trans	-59.7	-45.5	177.9	178.4	-92.5	0	0	0	111.1	D207 D209 K215 W351	D207-F211 VanDerWaalsContact O-CB 3.31Å; D207-F211 WeakPolarHBondContact O-CB 3.29Å; D207-F211 PolarHBondContact O-N 2.9Å; D209-F211 VanDerWaalsContact C-N 3.32Å; D209-F211 PolarHBondContact O-N 3.48Å; F211-K215 HydrophobicContact CE1-CD 3.86Å; F211-K215 HydrophobicContact CZ-CD 4.21Å; F211-K215 VanDerWaalsContact O-CB 3.22Å; F211-K215 WeakPolarHBondContact O-CB 3.31Å; F211-K215 PolarHBondContact O-N 2.93Å; F211-W351 AromaticContact CE2-CD1 3.93Å; F211-W351 AromaticContact CE2-NE1 3.23Å; F211-W351 AromaticContact CZ-CD1 3.92Å; F211-W351 AromaticContact CZ-NE1 3.39Å
212	T	89.9	Confident	90.4	Very high	24 Å²	24	36.7 Å²	36.7	15%	0.147	19%	0.191	C	C	.	.	H	α-helix	trans	-67.9	-40.7	-177.2	-54.3	0	0	0	0	112.2	Q208 D209 K210 K215 S216 A287 L289	Q208-T212 WeakPolarHBondContact O-CB 3.33Å; Q208-T212 PolarHBondContact O-N 3.46Å; Q208-T212 PolarHBondContact O-OG1 3.13Å; D209-T212 PolarHBondContact O-N 3.47Å; D209-T212 VanDerWaalsContact O-N 3.14Å; K210-T212 VanDerWaalsContact C-N 3.33Å; K210-T212 PolarHBondContact O-N 3.23Å; T212-K215 PolarHBondContact O-N 3.02Å; T212-S216 WeakPolarHBondContact O-CB 3.36Å; T212-S216 PolarHBondContact O-N 3.49Å; T212-S216 PolarHBondContact O-OG 2.99Å; T212-A287 HydrophobicContact CG2-CB 3.44Å; T212-A287 VanDerWaalsContact CG2-CB 3.44Å; T212-L289 HydrophobicContact CG2-CD2 4.34Å
213	L	92.5	Very high	89.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-52.2	175.2	-70.3	173.9	0	0	0	110.8	F202 L205 D209 K210 K215 S216 Y217 L281 L282 L289 V295	F202-L213 HydrophobicContact CE2-CD1 4.14Å; L205-L213 HydrophobicContact CD1-CD1 3.93Å; D209-L213 WeakPolarHBondContact O-CB 3.48Å; D209-L213 VanDerWaalsContact O-CG 3.26Å; D209-L213 WeakPolarHBondContact O-CG 3.39Å; D209-L213 PolarHBondContact O-N 3.19Å; K210-L213 PolarHBondContact O-N 3.12Å; L213-K215 VanDerWaalsContact C-N 3.3Å; L213-K215 PolarHBondContact O-N 3.14Å; L213-S216 PolarHBondContact O-N 3.21Å; L213-Y217 HydrophobicContact CD2-CD2 4.32Å; L213-Y217 HydrophobicContact CD2-CE2 4.07Å; L213-Y217 VanDerWaalsContact O-CD2 3.31Å; L213-Y217 WeakPolarHBondContact O-CD2 3.41Å; L213-Y217 PolarHBondContact O-N 3.29Å; L213-L281 HydrophobicContact CB-CD1 4.17Å; L213-L281 WeakPolarHBondContact CD2-O 3.36Å; L213-L282 HydrophobicContact CD1-CD2 4.35Å; L213-L289 HydrophobicContact CD2-CD1 4.15Å; L213-L289 HydrophobicContact CD2-CD2 4.02Å; L213-L289 HydrophobicContact CG-CD2 4.05Å; L213-V295 HydrophobicContact CD1-CG1 4.13Å; L213-V295 HydrophobicContact CD1-CG2 4.01Å; L213-V295 HydrophobicContact CD2-CG1 4.23Å
214	L	90.6	Very high	89.7	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.9	-48.1	178.1	-76.3	165.6	0	0	0	110.5	M192 V193 A196 F202 K210 S216 C218 L281 W351 I358	M192-L214 HydrophobicContact CE-CB 4.02Å; M192-L214 HydrophobicContact CE-CD2 3.49Å; M192-L214 VanDerWaalsContact CE-CD2 3.49Å; M192-L214 HydrophobicContact CE-CG 4.39Å; M192-L214 HydrophobicContact CG-CD2 4.2Å; M192-L214 HydrophobicContact SD-CD2 4.33Å; V193-L214 HydrophobicContact CG2-CD1 4.28Å; A196-L214 HydrophobicContact CB-CD2 3.63Å; A196-L214 HydrophobicContact CB-CG 4.47Å; F202-L214 HydrophobicContact CE1-CD1 4.42Å; F202-L214 HydrophobicContact CZ-CD1 4.25Å; F202-L214 HydrophobicContact CZ-CG 4.21Å; K210-L214 WeakPolarHBondContact O-CB 3.49Å; K210-L214 WeakPolarHBondContact O-CD1 3.4Å; K210-L214 VanDerWaalsContact O-CG 3.31Å; K210-L214 WeakPolarHBondContact O-CG 3.39Å; K210-L214 PolarHBondContact O-N 3.44Å; L214-S216 PolarHBondContact O-N 3.47Å; L214-C218 WeakPolarHBondContact O-CB 3.37Å; L214-C218 PolarHBondContact O-N 2.84Å; L214-L281 HydrophobicContact CD2-CD1 4.08Å; L214-L281 HydrophobicContact CD2-CD2 4.47Å; L214-L281 HydrophobicContact CG-CD1 4.39Å; L214-W351 HydrophobicContact CB-CH2 3.83Å; L214-W351 HydrophobicContact CB-CZ2 3.9Å; L214-W351 WeakPolarHBondContact O-CH2 3.41Å; L214-I358 HydrophobicContact CD1-CD1 3.59Å
215	K	85.6	Confident	89.4	Confident	99 Å²	99	26.4 Å²	26.4	43%	0.43	14%	0.136	S	C	.	.	H	α-helix	trans	-63.9	-41.9	-179.8	-173.8	179.1	175.9	-176.8	0	112.5	F211 T212 L213 W351	F211-K215 HydrophobicContact CE1-CD 3.86Å; F211-K215 HydrophobicContact CZ-CD 4.21Å; F211-K215 VanDerWaalsContact O-CB 3.22Å; F211-K215 WeakPolarHBondContact O-CB 3.31Å; F211-K215 PolarHBondContact O-N 2.93Å; T212-K215 PolarHBondContact O-N 3.02Å; L213-K215 VanDerWaalsContact C-N 3.3Å; L213-K215 PolarHBondContact O-N 3.14Å; K215-W351 VanDerWaalsContact CA-CH2 3.42Å; K215-W351 HydrophobicContact CB-CH2 4.22Å; K215-W351 HydrophobicContact CB-CZ2 3.58Å; K215-W351 HydrophobicContact CG-CD2 4.5Å; K215-W351 HydrophobicContact CG-CZ2 4.29Å; K215-W351 VanDerWaalsContact N-CZ2 3.25Å
216	S	86.2	Confident	88.8	Confident	27 Å²	27	26.3 Å²	26.3	19%	0.189	14%	0.135	C	C	.	.	H	α-helix	trans	-69.9	-36.3	-176.2	-65.3	0	0	0	0	113.3	T212 L213 L214 K286	T212-S216 WeakPolarHBondContact O-CB 3.36Å; T212-S216 PolarHBondContact O-N 3.49Å; T212-S216 PolarHBondContact O-OG 2.99Å; L213-S216 PolarHBondContact O-N 3.21Å; L214-S216 PolarHBondContact O-N 3.47Å; S216-K286 PolarHBondContact O-NZ 2.88Å
217	Y	89.5	Confident	88.3	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-111.9	1.2	-169.9	-64.4	-71.2	0	0	0	114.2	L213 F219 E220 L221 I280 N283 K286	L213-Y217 HydrophobicContact CD2-CD2 4.32Å; L213-Y217 HydrophobicContact CD2-CE2 4.07Å; L213-Y217 VanDerWaalsContact O-CD2 3.31Å; L213-Y217 WeakPolarHBondContact O-CD2 3.41Å; L213-Y217 PolarHBondContact O-N 3.29Å; Y217-F219 PolarHBondContact O-N 2.91Å; Y217-E220 HydrophobicContact CD1-CB 4.44Å; Y217-E220 VanDerWaalsContact CD1-OE2 3.24Å; Y217-E220 WeakPolarHBondContact CD1-OE2 3.4Å; Y217-E220 WeakPolarHBondContact CE1-OE2 3.13Å; Y217-E220 PolarHBondContact O-N 3.43Å; Y217-L221 WeakPolarHBondContact O-CB 3.15Å; Y217-L221 WeakPolarHBondContact O-CG 3.31Å; Y217-L221 PolarHBondContact O-N 3Å; Y217-I280 HydrophobicContact CD1-CG2 4.35Å; Y217-I280 VanDerWaalsContact CD1-O 3.25Å; Y217-I280 WeakPolarHBondContact CD1-O 3.39Å; Y217-I280 VanDerWaalsContact CG-O 3.3Å; Y217-N283 HydrophobicContact CE1-CB 3.97Å; Y217-N283 HydrophobicContact CE2-CB 4.08Å; Y217-N283 WeakPolarHBondContact CE2-O 3.45Å; Y217-N283 VanDerWaalsContact OH-CB 3.29Å; Y217-N283 WeakPolarHBondContact OH-CB 3.49Å; Y217-N283 PolarHBondContact OH-ND2 2.72Å; Y217-N283 PolarHBondContact OH-O 2.87Å; Y217-K286 HydrophobicContact CE1-CB 4.26Å; Y217-K286 HydrophobicContact CE1-CD 4.26Å; Y217-K286 HydrophobicContact CE2-CB 4.37Å; Y217-K286 WeakPolarHBondContact OH-CB 3.2Å; Y217-K286 PolarHBondContact OH-N 3.02Å
218	C	85.8	Confident	87.9	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-55.1	-42	179	-173.2	0	0	0	0	113.1	Y188 M192 L214 A222 F347 W351	Y188-C218 WeakPolarHBondContact CE1-O 3.37Å; Y188-C218 WeakPolarHBondContact CE1-SG 3.42Å; Y188-C218 PolarHBondContact OH-O 2.96Å; M192-C218 HydrophobicContact CE-CB 3.63Å; M192-C218 VanDerWaalsContact CE-SG 3.51Å; M192-C218 WeakPolarHBondContact SD-CA 2.98Å; M192-C218 HydrophobicContact SD-CB 3.65Å; M192-C218 PolarHBondContact SD-SG 3.29Å; L214-C218 WeakPolarHBondContact O-CB 3.37Å; L214-C218 PolarHBondContact O-N 2.84Å; C218-A222 PolarHBondContact O-N 3.19Å; C218-A222 VanDerWaalsContact O-N 3.11Å; C218-F347 HydrophobicContact CB-CE1 4.03Å; C218-F347 HydrophobicContact CB-CZ 3.76Å; C218-F347 WeakPolarHBondContact SG-CZ 3.38Å; C218-W351 HydrophobicContact CB-CH2 4.01Å; C218-W351 HydrophobicContact CB-CZ3 3.53Å
219	F	81.4	Confident	87.2	Confident	42 Å²	42	19.4 Å²	19.4	18%	0.184	10%	0.102	C	C	.	.	H	α-helix	trans	-72.6	-43.5	179.8	-179.4	-103	0	0	0	112.6	Y217 L221 A222 L223 C335 F342	Y217-F219 PolarHBondContact O-N 2.91Å; F219-L221 VanDerWaalsContact C-N 3.27Å; F219-L221 PolarHBondContact O-N 2.89Å; F219-A222 WeakPolarHBondContact O-CA 3.46Å; F219-A222 WeakPolarHBondContact O-CB 3.44Å; F219-A222 PolarHBondContact O-N 3.49Å; F219-L223 HydrophobicContact CD1-CD1 4.34Å; F219-L223 HydrophobicContact CD1-CG 4.46Å; F219-L223 HydrophobicContact CE1-CD1 3.32Å; F219-L223 HydrophobicContact CE1-CD2 4.47Å; F219-L223 HydrophobicContact CE1-CG 3.64Å; F219-L223 HydrophobicContact CE2-CD1 4.48Å; F219-L223 HydrophobicContact CE2-CD2 4.21Å; F219-L223 HydrophobicContact CE2-CG 3.99Å; F219-L223 HydrophobicContact CZ-CD1 3.37Å; F219-L223 HydrophobicContact CZ-CD2 3.69Å; F219-L223 HydrophobicContact CZ-CG 3.3Å; F219-L223 PolarHBondContact O-N 2.69Å; F219-C335 HydrophobicContact CD1-CB 4.03Å; F219-C335 VanDerWaalsContact CD1-SG 3.58Å; F219-C335 HydrophobicContact CE1-CB 4.22Å; F219-C335 VanDerWaalsContact CE1-SG 3.53Å; F219-F342 HydrophobicContact CD1-CB 4.45Å; F219-F342 HydrophobicContact CD1-CD2 4.11Å; F219-F342 HydrophobicContact CD1-CG 4.23Å; F219-F342 HydrophobicContact CD2-CB 4.2Å; F219-F342 AromaticContact CD2-CD1 3.97Å; F219-F342 HydrophobicContact CD2-CD1 3.97Å; F219-F342 HydrophobicContact CD2-CE1 4.48Å; F219-F342 HydrophobicContact CD2-CG 4.05Å; F219-F342 HydrophobicContact CE1-CB 4.4Å; F219-F342 HydrophobicContact CE1-CD1 4.13Å; F219-F342 AromaticContact CE1-CD2 3.36Å; F219-F342 HydrophobicContact CE1-CD2 3.36Å; F219-F342 HydrophobicContact CE1-CE1 4.2Å; F219-F342 AromaticContact CE1-CE2 3.41Å; F219-F342 HydrophobicContact CE1-CE2 3.41Å; F219-F342 VanDerWaalsContact CE1-CE2 3.41Å; F219-F342 AromaticContact CE1-CG 3.72Å; F219-F342 HydrophobicContact CE1-CG 3.72Å; F219-F342 AromaticContact CE1-CZ 3.83Å; F219-F342 HydrophobicContact CE1-CZ 3.83Å; F219-F342 HydrophobicContact CE2-CB 4.18Å; F219-F342 AromaticContact CE2-CD1 3.18Å; F219-F342 HydrophobicContact CE2-CD1 3.18Å; F219-F342 HydrophobicContact CE2-CD2 4.02Å; F219-F342 AromaticContact CE2-CE1 3.33Å; F219-F342 HydrophobicContact CE2-CE1 3.33Å; F219-F342 HydrophobicContact CE2-CE2 4.12Å; F219-F342 AromaticContact CE2-CG 3.54Å; F219-F342 HydrophobicContact CE2-CG 3.54Å; F219-F342 AromaticContact CE2-CZ 3.78Å; F219-F342 HydrophobicContact CE2-CZ 3.78Å; F219-F342 HydrophobicContact CG-CB 4.37Å; F219-F342 HydrophobicContact CG-CG 4.39Å; F219-F342 HydrophobicContact CZ-CB 4.31Å; F219-F342 AromaticContact CZ-CD1 3.31Å; F219-F342 HydrophobicContact CZ-CD1 3.31Å; F219-F342 AromaticContact CZ-CD2 3.35Å; F219-F342 HydrophobicContact CZ-CD2 3.35Å; F219-F342 AromaticContact CZ-CE1 3.17Å; F219-F342 HydrophobicContact CZ-CE1 3.17Å; F219-F342 AromaticContact CZ-CE2 3.18Å; F219-F342 HydrophobicContact CZ-CE2 3.18Å; F219-F342 AromaticContact CZ-CG 3.39Å; F219-F342 HydrophobicContact CZ-CG 3.39Å; F219-F342 AromaticContact CZ-CZ 3.06Å; F219-F342 HydrophobicContact CZ-CZ 3.06Å
220	E	89.1	Confident	86.3	Confident	5 Å²	5	20.2 Å²	20.2	2%	0.023	11%	0.105	C	C	.	.	H	α-helix	trans	-57.2	-43.8	175.6	-78.2	171.9	-136.7	0	0	110.8	Y217 A222 L223 F224 I280 K286 H332 C335	Y217-E220 HydrophobicContact CD1-CB 4.44Å; Y217-E220 VanDerWaalsContact CD1-OE2 3.24Å; Y217-E220 WeakPolarHBondContact CD1-OE2 3.4Å; Y217-E220 WeakPolarHBondContact CE1-OE2 3.13Å; Y217-E220 PolarHBondContact O-N 3.43Å; E220-A222 VanDerWaalsContact C-N 3.31Å; E220-A222 PolarHBondContact O-N 2.69Å; E220-L223 PolarHBondContact O-N 3.14Å; E220-F224 WeakPolarHBondContact O-CB 3.36Å; E220-F224 PolarHBondContact O-N 2.98Å; E220-I280 HydrophobicContact CB-CG2 3.7Å; E220-K286 IonicContact OE1-NZ 3.25Å; E220-K286 PolarHBondContact OE1-NZ 3.37Å; E220-H332 IonicContact OE1-CE1 3.99Å; E220-H332 IonicContact OE1-ND1 2.76Å; E220-H332 PolarHBondContact OE1-ND1 3.23Å; E220-H332 IonicContact OE2-CG 2.95Å; E220-H332 IonicContact OE2-ND1 3.66Å; E220-H332 PolarHBondContact OE2-ND1 2.81Å; E220-C335 HydrophobicContact CG-CB 3.52Å; E220-C335 WeakPolarHBondContact CG-SG 3.45Å
221	L	90.1	Very high	85	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-34.3	173.9	-77	174.4	0	0	0	113.5	F163 Y188 M192 Y217 F219 R225 A277 I280 L281	F163-L221 HydrophobicContact CZ-CB 3.99Å; Y188-L221 VanDerWaalsContact OH-C 3.32Å; Y188-L221 WeakPolarHBondContact OH-CB 3.49Å; M192-L221 HydrophobicContact CG-CD1 3.86Å; M192-L221 HydrophobicContact SD-CD1 3.7Å; Y217-L221 WeakPolarHBondContact O-CB 3.15Å; Y217-L221 WeakPolarHBondContact O-CG 3.31Å; Y217-L221 PolarHBondContact O-N 3Å; F219-L221 VanDerWaalsContact C-N 3.27Å; F219-L221 PolarHBondContact O-N 2.89Å; L221-R225 VanDerWaalsContact O-CB 3.31Å; L221-R225 WeakPolarHBondContact O-CB 3.26Å; L221-R225 PolarHBondContact O-N 3.04Å; L221-A277 HydrophobicContact CD2-CB 4.06Å; L221-A277 WeakPolarHBondContact CD2-O 3.44Å; L221-I280 HydrophobicContact CD2-CB 3.97Å; L221-I280 HydrophobicContact CD2-CD1 4.35Å; L221-I280 HydrophobicContact CD2-CG2 3.89Å; L221-I280 HydrophobicContact CG-CB 4.5Å; L221-I280 HydrophobicContact CG-CG2 3.89Å; L221-L281 HydrophobicContact CD1-CB 4.26Å; L221-L281 HydrophobicContact CD1-CD1 4.26Å
222	A	84.5	Confident	83.8	Confident	24 Å²	24	22.9 Å²	22.9	20%	0.198	13%	0.129	C	C	.	.	H	α-helix	trans	-69	-46.2	179.6	0	0	0	0	0	110.4	Y188 C218 F219 E220 R225 L226	Y188-A222 HydrophobicContact CE1-CB 3.71Å; Y188-A222 HydrophobicContact CE2-CB 4.29Å; Y188-A222 VanDerWaalsContact OH-CA 3.28Å; Y188-A222 WeakPolarHBondContact OH-CA 3.45Å; Y188-A222 WeakPolarHBondContact OH-CB 3.46Å; Y188-A222 PolarHBondContact OH-N 3.27Å; C218-A222 PolarHBondContact O-N 3.19Å; C218-A222 VanDerWaalsContact O-N 3.11Å; F219-A222 WeakPolarHBondContact O-CA 3.46Å; F219-A222 WeakPolarHBondContact O-CB 3.44Å; F219-A222 PolarHBondContact O-N 3.49Å; E220-A222 VanDerWaalsContact C-N 3.31Å; E220-A222 PolarHBondContact O-N 2.69Å; A222-R225 PolarHBondContact O-N 3.37Å; A222-L226 WeakPolarHBondContact O-CB 3.31Å; A222-L226 PolarHBondContact O-N 3.44Å
223	L	85.4	Confident	82.2	Confident	11 Å²	11	28.8 Å²	28.8	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-65.1	-41.3	175.2	-75.9	-167.8	0	0	0	112.1	F219 E220 L226 A227 V256 L331 L334	F219-L223 HydrophobicContact CD1-CD1 4.34Å; F219-L223 HydrophobicContact CD1-CG 4.46Å; F219-L223 HydrophobicContact CE1-CD1 3.32Å; F219-L223 HydrophobicContact CE1-CD2 4.47Å; F219-L223 HydrophobicContact CE1-CG 3.64Å; F219-L223 HydrophobicContact CE2-CD1 4.48Å; F219-L223 HydrophobicContact CE2-CD2 4.21Å; F219-L223 HydrophobicContact CE2-CG 3.99Å; F219-L223 HydrophobicContact CZ-CD1 3.37Å; F219-L223 HydrophobicContact CZ-CD2 3.69Å; F219-L223 HydrophobicContact CZ-CG 3.3Å; F219-L223 PolarHBondContact O-N 2.69Å; E220-L223 PolarHBondContact O-N 3.14Å; L223-L226 HydrophobicContact CD2-CD2 4.42Å; L223-L226 PolarHBondContact O-N 3.49Å; L223-A227 WeakPolarHBondContact O-CB 3.42Å; L223-A227 PolarHBondContact O-N 2.59Å; L223-V256 HydrophobicContact CD1-CG2 4.16Å; L223-V256 HydrophobicContact CD2-CG1 4.08Å; L223-V256 HydrophobicContact CD2-CG2 4.03Å; L223-L331 HydrophobicContact CB-CD1 3.8Å; L223-L331 HydrophobicContact CD1-CD1 4.11Å; L223-L334 HydrophobicContact CD1-CD2 4.24Å
224	F	90.9	Very high	80.6	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-48.5	175.2	-179.7	-105.4	0	0	0	111.2	E220 L226 A227 C228 I263 L268 A276 A277 I280 L328 L331	E220-F224 WeakPolarHBondContact O-CB 3.36Å; E220-F224 PolarHBondContact O-N 2.98Å; F224-L226 VanDerWaalsContact C-N 3.33Å; F224-L226 PolarHBondContact O-N 3.26Å; F224-A227 PolarHBondContact O-N 2.77Å; F224-C228 WeakPolarHBondContact CZ-SG 3.33Å; F224-C228 WeakPolarHBondContact O-CB 3.25Å; F224-C228 PolarHBondContact O-N 3.29Å; F224-C228 PolarHBondContact O-SG 3.46Å; F224-C228 VanDerWaalsContact O-SG 3.38Å; F224-I263 HydrophobicContact CE2-CD1 4.27Å; F224-I263 HydrophobicContact CE2-CG1 4.2Å; F224-L268 HydrophobicContact CE2-CD1 4.37Å; F224-L268 HydrophobicContact CZ-CD1 4.27Å; F224-A276 HydrophobicContact CE1-CB 4.2Å; F224-A276 HydrophobicContact CE2-CB 4.08Å; F224-A276 HydrophobicContact CZ-CB 3.55Å; F224-A277 HydrophobicContact CD1-CB 4.36Å; F224-A277 HydrophobicContact CE1-CB 4.2Å; F224-I280 HydrophobicContact CB-CD1 3.56Å; F224-I280 HydrophobicContact CD1-CD1 3.91Å; F224-I280 HydrophobicContact CD2-CD1 3.75Å; F224-I280 HydrophobicContact CE2-CD1 4.44Å; F224-I280 HydrophobicContact CG-CD1 3.44Å; F224-I280 VanDerWaalsContact CG-CD1 3.44Å; F224-L328 HydrophobicContact CD2-CD2 4.24Å; F224-L328 HydrophobicContact CE2-CD2 4.13Å; F224-L331 HydrophobicContact CB-CD2 3.82Å; F224-L331 HydrophobicContact CD2-CD2 4.35Å
225	R	87.6	Confident	79	Confident	1 Å²	1	38.1 Å²	38.1	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-58.4	-45.2	175.6	179.2	-177.6	176.9	166.8	3.7	111.5	F163 R165 F166 L221 A222 C228 N229	F163-R225 HydrophobicContact CE1-CB 4.2Å; F163-R225 HydrophobicContact CZ-CB 4.48Å; F163-R225 VanDerWaalsContact O-CD 3.28Å; F163-R225 WeakPolarHBondContact O-CD 3.25Å; F163-R225 PolarHBondContact O-NE 2.92Å; F163-R225 PolarHBondContact O-NH1 2.9Å; F163-R225 PolarHBondContact O-NH2 3.22Å; R165-R225 PolarHBondContact O-NH2 3.13Å; F166-R225 VanDerWaalsContact CA-NH2 3.27Å; F166-R225 HydrophobicContact CE1-CG 4.43Å; F166-R225 HydrophobicContact CE2-CG 4.28Å; F166-R225 HydrophobicContact CZ-CG 3.97Å; L221-R225 VanDerWaalsContact O-CB 3.31Å; L221-R225 WeakPolarHBondContact O-CB 3.26Å; L221-R225 PolarHBondContact O-N 3.04Å; A222-R225 PolarHBondContact O-N 3.37Å; R225-C228 PolarHBondContact O-N 2.98Å; R225-N229 PolarHBondContact O-N 2.73Å; R225-N229 PolarHBondContact O-ND2 3.01Å
226	L	82	Confident	77.5	Confident	11 Å²	11	39.1 Å²	39.1	6%	0.058	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-48.3	178.4	-176.9	69.5	0	0	0	111.3	F166 A222 L223 F224 C228 N229 Y230 L237 L238 L239 V256	F166-L226 HydrophobicContact CE2-CD1 4.41Å; F166-L226 HydrophobicContact CZ-CB 4.45Å; F166-L226 HydrophobicContact CZ-CD1 4.2Å; A222-L226 WeakPolarHBondContact O-CB 3.31Å; A222-L226 PolarHBondContact O-N 3.44Å; L223-L226 HydrophobicContact CD2-CD2 4.42Å; L223-L226 PolarHBondContact O-N 3.49Å; F224-L226 VanDerWaalsContact C-N 3.33Å; F224-L226 PolarHBondContact O-N 3.26Å; L226-C228 PolarHBondContact O-N 3.4Å; L226-N229 CarbonylContact O-C 3.26Å; L226-N229 PolarHBondContact O-N 3.23Å; L226-N229 VanDerWaalsContact O-N 3.08Å; L226-Y230 PolarHBondContact O-N 2.98Å; L226-L237 HydrophobicContact CD1-CB 4.25Å; L226-L237 HydrophobicContact CD1-CD2 4.36Å; L226-L237 HydrophobicContact CD2-CB 4.35Å; L226-L237 HydrophobicContact CD2-CD1 4.38Å; L226-L237 HydrophobicContact CD2-CD2 3.74Å; L226-L237 HydrophobicContact CD2-CG 4.38Å; L226-L237 HydrophobicContact CG-CB 4.33Å; L226-L237 HydrophobicContact CG-CD2 3.6Å; L226-L237 HydrophobicContact CG-CG 4.48Å; L226-L238 WeakPolarHBondContact CD1-O 3.13Å; L226-L239 HydrophobicContact CD1-CD2 4.03Å; L226-L239 HydrophobicContact CD1-CG 4.14Å; L226-L239 HydrophobicContact CD2-CD2 3.53Å; L226-L239 HydrophobicContact CD2-CG 4.19Å; L226-L239 HydrophobicContact CG-CD2 4.44Å; L226-V256 HydrophobicContact CD2-CG1 4.44Å
227	A	85.4	Confident	76.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-39	179.1	0	0	0	0	0	112.6	L223 F224 N229 Y230 F259 A260 I263 V264	L223-A227 WeakPolarHBondContact O-CB 3.42Å; L223-A227 PolarHBondContact O-N 2.59Å; F224-A227 PolarHBondContact O-N 2.77Å; A227-N229 PolarHBondContact O-N 2.76Å; A227-Y230 WeakPolarHBondContact O-CB 3.47Å; A227-Y230 PolarHBondContact O-N 3.03Å; A227-F259 HydrophobicContact CB-CD1 3.92Å; A227-F259 HydrophobicContact CB-CE1 3.7Å; A227-A260 HydrophobicContact CB-CB 3.89Å; A227-I263 HydrophobicContact CB-CG2 3.75Å; A227-V264 WeakPolarHBondContact O-CG2 3.41Å
228	C	84.3	Confident	74.3	Confident	41 Å²	41	43.9 Å²	43.9	28%	0.277	24%	0.238	S	C	.	.	H	α-helix	trans	-69.4	-18.3	174.5	-73.4	0	0	0	0	113.8	F224 R225 L226	F224-C228 WeakPolarHBondContact CZ-SG 3.33Å; F224-C228 WeakPolarHBondContact O-CB 3.25Å; F224-C228 PolarHBondContact O-N 3.29Å; F224-C228 PolarHBondContact O-SG 3.46Å; F224-C228 VanDerWaalsContact O-SG 3.38Å; R225-C228 PolarHBondContact O-N 2.98Å; L226-C228 PolarHBondContact O-N 3.4Å
229	N	76.4	Confident	72.6	Confident	44 Å²	44	46.6 Å²	46.6	24%	0.235	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	13.5	174.4	-70.8	-86.5	0	0	0	112	K164 F166 R225 L226 A227	K164-N229 PolarHBondContact O-ND2 3.49Å; K164-N229 VanDerWaalsContact O-ND2 3.11Å; F166-N229 HydrophobicContact CE2-CB 4.43Å; R225-N229 PolarHBondContact O-N 2.73Å; R225-N229 PolarHBondContact O-ND2 3.01Å; L226-N229 CarbonylContact O-C 3.26Å; L226-N229 PolarHBondContact O-N 3.23Å; L226-N229 VanDerWaalsContact O-N 3.08Å; A227-N229 PolarHBondContact O-N 2.76Å
230	Y	72.5	Confident	70.8	Confident	17 Å²	17	46.2 Å²	46.2	7%	0.067	25%	0.253	C	S	.	.			trans	-68.4	130.2	175	-179.2	-107	0	0	0	111.1	L226 A227 D235 Q236 L237 M257 A260 V264	L226-Y230 PolarHBondContact O-N 2.98Å; A227-Y230 WeakPolarHBondContact O-CB 3.47Å; A227-Y230 PolarHBondContact O-N 3.03Å; Y230-D235 VanDerWaalsContact OH-CA 3.28Å; Y230-D235 WeakPolarHBondContact OH-CA 3.48Å; Y230-D235 PolarHBondContact OH-OD1 3.35Å; Y230-Q236 WeakPolarHBondContact CD2-O 3.35Å; Y230-L237 HydrophobicContact CD2-CD2 3.82Å; Y230-L237 HydrophobicContact CD2-CG 3.88Å; Y230-L237 HydrophobicContact CE2-CG 4.19Å; Y230-M257 HydrophobicContact CD2-SD 4.5Å; Y230-M257 HydrophobicContact CE2-CE 3.64Å; Y230-M257 HydrophobicContact CE2-SD 3.69Å; Y230-M257 WeakPolarHBondContact OH-CE 3.46Å; Y230-A260 HydrophobicContact CD1-CB 4.37Å; Y230-A260 HydrophobicContact CD2-CB 4.11Å; Y230-A260 HydrophobicContact CG-CB 3.93Å; Y230-V264 HydrophobicContact CD1-CG2 4.17Å
231	D	66.6	Low	68.4	Low	62 Å²	62	48.1 Å²	48.1	33%	0.332	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-95.7	110.3	174.6	-171.1	-24.4	0	0	0	109.6	D233 I234 D235 Q236	D231-D233 VanDerWaalsContact C-N 3.27Å; D231-D233 PolarHBondContact O-N 2.98Å; D231-D233 WeakPolarHBondContact OD1-CB 3.5Å; D231-D233 PolarHBondContact OD1-N 2.88Å; D231-I234 HydrophobicContact CB-CD1 4.02Å; D231-I234 HydrophobicContact CB-CG1 3.67Å; D231-D235 PolarHBondContact O-N 3.35Å; D231-D235 VanDerWaalsContact O-N 3.09Å; D231-Q236 PolarHBondContact N-O 3.42Å; D231-Q236 PolarHBondContact O-N 2.89Å
232	S	62.7	Low	66	Low	73 Å²	73	48.4 Å²	48.4	51%	0.51	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.3	-178.8	57.4	0	0	0	0	114
233	D	57.6	Low	64	Low	148 Å²	148	50.2 Å²	50.2	79%	0.791	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-31.7	-176.9	-69.5	-19.5	0	0	0	111.4	D231	D231-D233 VanDerWaalsContact C-N 3.27Å; D231-D233 PolarHBondContact O-N 2.98Å; D231-D233 WeakPolarHBondContact OD1-CB 3.5Å; D231-D233 PolarHBondContact OD1-N 2.88Å
234	I	59.2	Low	62.1	Low	88 Å²	88	53.7 Å²	53.7	45%	0.451	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-5.3	179.1	59.4	172.7	0	0	0	113.7	D231 Q236	D231-I234 HydrophobicContact CB-CD1 4.02Å; D231-I234 HydrophobicContact CB-CG1 3.67Å; I234-Q236 HydrophobicContact CB-CG 4.45Å; I234-Q236 HydrophobicContact CD1-CB 3.82Å; I234-Q236 HydrophobicContact CD1-CG 4.21Å; I234-Q236 HydrophobicContact CG1-CB 3.89Å; I234-Q236 HydrophobicContact CG1-CG 4.21Å; I234-Q236 WeakPolarHBondContact O-CG 3.14Å; I234-Q236 PolarHBondContact O-N 3.48Å
235	D	56.5	Low	59.8	Low	107 Å²	107	56.3 Å²	56.3	57%	0.572	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	41.5	-177	-150.6	61.2	0	0	0	111.6	Y230 D231 M257	Y230-D235 VanDerWaalsContact OH-CA 3.28Å; Y230-D235 WeakPolarHBondContact OH-CA 3.48Å; Y230-D235 PolarHBondContact OH-OD1 3.35Å; D231-D235 PolarHBondContact O-N 3.35Å; D231-D235 VanDerWaalsContact O-N 3.09Å; D235-M257 VanDerWaalsContact O-CE 3.3Å; D235-M257 WeakPolarHBondContact O-CE 3.29Å
236	Q	53.8	Low	57.8	Low	121 Å²	121	62.7 Å²	62.7	57%	0.565	35%	0.354	S	S	*	.	B	Isolated β-bridge	trans	-122.9	129.7	-178.4	-69.1	179	18.5	0	0	111.5	Y230 D231 I234 L238	Y230-Q236 WeakPolarHBondContact CD2-O 3.35Å; D231-Q236 PolarHBondContact N-O 3.42Å; D231-Q236 PolarHBondContact O-N 2.89Å; I234-Q236 HydrophobicContact CB-CG 4.45Å; I234-Q236 HydrophobicContact CD1-CB 3.82Å; I234-Q236 HydrophobicContact CD1-CG 4.21Å; I234-Q236 HydrophobicContact CG1-CB 3.89Å; I234-Q236 HydrophobicContact CG1-CG 4.21Å; I234-Q236 WeakPolarHBondContact O-CG 3.14Å; I234-Q236 PolarHBondContact O-N 3.48Å; Q236-L238 PolarHBondContact O-N 3.09Å
237	L	55.8	Low	56.2	Low	20 Å²	20	64.8 Å²	64.8	11%	0.105	38%	0.379	C	S	.	.			trans	-73.3	122.2	161.1	-69.9	154.6	0	0	0	107.8	L226 Y230 L239 L253 V256 M257 A260	L226-L237 HydrophobicContact CD1-CB 4.25Å; L226-L237 HydrophobicContact CD1-CD2 4.36Å; L226-L237 HydrophobicContact CD2-CB 4.35Å; L226-L237 HydrophobicContact CD2-CD1 4.38Å; L226-L237 HydrophobicContact CD2-CD2 3.74Å; L226-L237 HydrophobicContact CD2-CG 4.38Å; L226-L237 HydrophobicContact CG-CB 4.33Å; L226-L237 HydrophobicContact CG-CD2 3.6Å; L226-L237 HydrophobicContact CG-CG 4.48Å; Y230-L237 HydrophobicContact CD2-CD2 3.82Å; Y230-L237 HydrophobicContact CD2-CG 3.88Å; Y230-L237 HydrophobicContact CE2-CG 4.19Å; L237-L239 HydrophobicContact CB-CD1 4.2Å; L237-L239 HydrophobicContact CB-CG 4Å; L237-L239 PolarHBondContact O-N 3.35Å; L237-L253 HydrophobicContact CD1-CD1 3.79Å; L237-V256 HydrophobicContact CD1-CG1 3.91Å; L237-V256 HydrophobicContact CD2-CG1 4.27Å; L237-M257 HydrophobicContact CD1-CG 3.93Å; L237-M257 HydrophobicContact CD1-SD 3.22Å; L237-M257 WeakPolarHBondContact CD1-SD 3.35Å; L237-M257 HydrophobicContact CD2-SD 4.46Å; L237-M257 HydrophobicContact CG-SD 3.48Å; L237-M257 WeakPolarHBondContact CG-SD 3.49Å; L237-A260 HydrophobicContact CD2-CB 4.08Å
238	L	52.1	Low	54.6	Low	107 Å²	107	73.5 Å²	73.5	56%	0.56	42%	0.419	S	S	*	.			trans	-69.7	71.8	164.9	-86.1	151.8	0	0	0	109.2	L226 Q236	L226-L238 WeakPolarHBondContact CD1-O 3.13Å; Q236-L238 PolarHBondContact O-N 3.09Å
239	L	49.9	Very low	53.4	Low	57 Å²	57	74.1 Å²	74.1	30%	0.298	42%	0.42	S	S	.	.			trans	-71.1	135.3	170.8	-76.4	157.9	0	0	0	108.1	L226 L237 A241 T243	L226-L239 HydrophobicContact CD1-CD2 4.03Å; L226-L239 HydrophobicContact CD1-CG 4.14Å; L226-L239 HydrophobicContact CD2-CD2 3.53Å; L226-L239 HydrophobicContact CD2-CG 4.19Å; L226-L239 HydrophobicContact CG-CD2 4.44Å; L237-L239 HydrophobicContact CB-CD1 4.2Å; L237-L239 HydrophobicContact CB-CG 4Å; L237-L239 PolarHBondContact O-N 3.35Å; L239-A241 PolarHBondContact O-N 3.43Å; L239-T243 WeakPolarHBondContact CD2-OG1 3.45Å
240	P	44.4	Very low	52.7	Low	33 Å²	33	78.3 Å²	78.3	21%	0.214	44%	0.436	C	S	.	.			trans	-51.6	128.7	159.5	-19.8	30.9	0	0	0	107.4	F166 A242 T243	F166-P240 HydrophobicContact CD1-CG 3.93Å; F166-P240 HydrophobicContact CE1-CG 3.95Å; P240-A242 PolarHBondContact O-N 3.03Å; P240-T243 PolarHBondContact O-N 3.47Å; P240-T243 PolarHBondContact O-OG1 3.07Å
241	A	38.7	Very low	52.5	Low	45 Å²	45	83.5 Å²	83.5	37%	0.372	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-54	-15.4	-166	0	0	0	0	0	114.6	T175 L239	T175-A241 HydrophobicContact CG2-CB 3.55Å; L239-A241 PolarHBondContact O-N 3.43Å
242	A	40.6	Very low	52.8	Low	6 Å²	6	80.9 Å²	80.9	5%	0.05	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-85.8	-4.8	-178.3	0	0	0	0	0	114.4	K181 P240	K181-A242 HydrophobicContact CB-CB 4.22Å; K181-A242 HydrophobicContact CD-CB 4.34Å; K181-A242 WeakPolarHBondContact CD-O 3.41Å; K181-A242 WeakPolarHBondContact CE-O 3.31Å; K181-A242 HydrophobicContact CG-CB 3.34Å; K181-A242 PolarHBondContact NZ-O 3.23Å; P240-A242 PolarHBondContact O-N 3.03Å
243	T	41.9	Very low	53.3	Low	62 Å²	62	80.1 Å²	80.1	38%	0.38	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-107.5	12.5	-176.3	51.5	0	0	0	0	115.6	L239 P240 P245	L239-T243 WeakPolarHBondContact CD2-OG1 3.45Å; P240-T243 PolarHBondContact O-N 3.47Å; P240-T243 PolarHBondContact O-OG1 3.07Å; T243-P245 WeakPolarHBondContact O-CD 3.24Å
244	T	44.3	Very low	54.4	Low	84 Å²	84	77.7 Å²	77.7	52%	0.515	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-58.1	116.3	170.6	48.9	0	0	0	0	109.1	N246	T244-N246 PolarHBondContact O-N 3.37Å
245	P	44.3	Very low	55.5	Low	56 Å²	56	75.5 Å²	75.5	36%	0.364	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-62.3	130.9	175.5	-15.6	28.8	0	0	0	107.5	T243 G247 N249	T243-P245 WeakPolarHBondContact O-CD 3.24Å; P245-G247 PolarHBondContact O-N 3Å; P245-N249 HydrophobicContact CB-CB 3.85Å
246	N	45.1	Very low	56.7	Low	135 Å²	135	70.8 Å²	70.8	72%	0.722	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-49.1	136.8	161.6	-68.4	-15.9	0	0	0	106.5	T244 E248	T244-N246 PolarHBondContact O-N 3.37Å; N246-E248 PolarHBondContact O-N 3.13Å
247	G	48.9	Very low	58	Low	55 Å²	55	66.6 Å²	66.6	57%	0.567	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	24.5	-162.5	0	0	0	0	0	118.4	P245 F250	P245-G247 PolarHBondContact O-N 3Å; G247-F250 WeakPolarHBondContact O-CD2 3.33Å; G247-F250 WeakPolarHBondContact O-CE2 3.49Å
248	E	50.5	Low	59.5	Low	182 Å²	182	72.4 Å²	72.4	85%	0.85	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-14.9	174.3	-60.4	-170.9	153.4	0	0	112.8	N246	N246-E248 PolarHBondContact O-N 3.13Å
249	N	59.7	Low	61.3	Low	54 Å²	54	67.9 Å²	67.9	29%	0.289	38%	0.379	S	S	.	.			trans	-101.7	34.6	-175.9	-71	-1.6	0	0	0	115	P245 N251 L252 L253	P245-N249 HydrophobicContact CB-CB 3.85Å; N249-N251 VanDerWaalsContact C-N 3.33Å; N249-N251 PolarHBondContact O-N 3.03Å; N249-L252 HydrophobicContact CB-CB 4.41Å; N249-L252 HydrophobicContact CB-CD2 4.41Å; N249-L252 PolarHBondContact O-N 2.88Å; N249-L253 PolarHBondContact O-N 3.48Å
250	F	60.8	Low	63.2	Low	133 Å²	133	65.1 Å²	65.1	58%	0.583	36%	0.364	S	S	*	.	H	α-helix	trans	-56.2	-42.4	-179	-79.3	-77.1	0	0	0	113.5	G247 L252 L253 D254	G247-F250 WeakPolarHBondContact O-CD2 3.33Å; G247-F250 WeakPolarHBondContact O-CE2 3.49Å; F250-L252 VanDerWaalsContact C-N 3.26Å; F250-L252 PolarHBondContact O-N 2.99Å; F250-L253 PolarHBondContact O-N 2.93Å; F250-L253 VanDerWaalsContact O-N 3.14Å; F250-D254 PolarHBondContact O-N 2.78Å
251	N	68.9	Low	65.2	Low	125 Å²	125	64.9 Å²	64.9	67%	0.668	37%	0.365	S	S	*	.	H	α-helix	trans	-60.1	-37.4	-178.9	-67.6	-21.2	0	0	0	112.8	N249 S255	N249-N251 VanDerWaalsContact C-N 3.33Å; N249-N251 PolarHBondContact O-N 3.03Å; N251-S255 WeakPolarHBondContact O-CB 3.46Å; N251-S255 PolarHBondContact O-N 3.41Å; N251-S255 VanDerWaalsContact O-N 3.12Å; N251-S255 PolarHBondContact O-OG 3.39Å
252	L	72.1	Confident	67.7	Low	7 Å²	7	63 Å²	63	4%	0.037	35%	0.349	C	S	.	.	H	α-helix	trans	-69.5	-45.4	177.6	166.5	61.7	0	0	0	110.7	N249 F250 D254 S255 V256 H338 E341 F342	N249-L252 HydrophobicContact CB-CB 4.41Å; N249-L252 HydrophobicContact CB-CD2 4.41Å; N249-L252 PolarHBondContact O-N 2.88Å; F250-L252 VanDerWaalsContact C-N 3.26Å; F250-L252 PolarHBondContact O-N 2.99Å; L252-D254 VanDerWaalsContact C-N 3.33Å; L252-D254 PolarHBondContact O-N 2.96Å; L252-S255 PolarHBondContact O-N 2.76Å; L252-V256 HydrophobicContact CD1-CG2 3.78Å; L252-V256 HydrophobicContact CG-CG2 4.36Å; L252-V256 WeakPolarHBondContact O-CB 3.5Å; L252-V256 VanDerWaalsContact O-CG2 3.27Å; L252-V256 WeakPolarHBondContact O-CG2 3.47Å; L252-V256 PolarHBondContact O-N 2.98Å; L252-H338 HydrophobicContact CD1-CB 3.8Å; L252-H338 VanDerWaalsContact CD1-CG 3.49Å; L252-E341 WeakPolarHBondContact CB-OE2 3.42Å; L252-E341 WeakPolarHBondContact CD2-OE2 3.16Å; L252-F342 HydrophobicContact CD1-CE2 3.33Å; L252-F342 HydrophobicContact CD1-CZ 3.33Å; L252-F342 HydrophobicContact CD2-CD2 4.48Å; L252-F342 HydrophobicContact CD2-CE1 3.59Å; L252-F342 HydrophobicContact CD2-CE2 3.53Å; L252-F342 HydrophobicContact CD2-CZ 3Å; L252-F342 HydrophobicContact CG-CE2 4Å; L252-F342 HydrophobicContact CG-CZ 3.6Å
253	L	73.7	Confident	70.2	Confident	58 Å²	58	62.9 Å²	62.9	30%	0.304	35%	0.348	S	S	.	.	H	α-helix	trans	-59.2	-47.2	177.9	-177.7	61.8	0	0	0	110.5	L237 N249 F250 S255 V256 M257	L237-L253 HydrophobicContact CD1-CD1 3.79Å; N249-L253 PolarHBondContact O-N 3.48Å; F250-L253 PolarHBondContact O-N 2.93Å; F250-L253 VanDerWaalsContact O-N 3.14Å; L253-S255 VanDerWaalsContact C-N 3.29Å; L253-S255 PolarHBondContact O-N 3.4Å; L253-V256 PolarHBondContact O-N 2.86Å; L253-M257 HydrophobicContact CD1-CG 4.18Å; L253-M257 HydrophobicContact CG-CG 4.26Å; L253-M257 WeakPolarHBondContact O-CB 3.45Å; L253-M257 WeakPolarHBondContact O-CG 3.5Å; L253-M257 PolarHBondContact O-N 3.27Å
254	D	80.2	Confident	72.4	Confident	97 Å²	97	62 Å²	62	52%	0.519	34%	0.342	S	S	.	.	H	α-helix	trans	-57.2	-43.3	176.8	-68.7	-22.4	0	0	0	111.6	F250 L252 M257 E258	F250-D254 PolarHBondContact O-N 2.78Å; L252-D254 VanDerWaalsContact C-N 3.33Å; L252-D254 PolarHBondContact O-N 2.96Å; D254-M257 PolarHBondContact O-N 3.4Å; D254-E258 WeakPolarHBondContact O-CB 3.41Å; D254-E258 PolarHBondContact O-N 2.97Å
255	S	83.2	Confident	74.6	Confident	42 Å²	42	66.2 Å²	66.2	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-69.9	-36.8	179.7	-55.2	0	0	0	0	112.6	N251 L252 L253 F259	N251-S255 WeakPolarHBondContact O-CB 3.46Å; N251-S255 PolarHBondContact O-N 3.41Å; N251-S255 VanDerWaalsContact O-N 3.12Å; N251-S255 PolarHBondContact O-OG 3.39Å; L252-S255 PolarHBondContact O-N 2.76Å; L253-S255 VanDerWaalsContact C-N 3.29Å; L253-S255 PolarHBondContact O-N 3.4Å; S255-F259 WeakPolarHBondContact O-CB 3.35Å; S255-F259 PolarHBondContact O-N 3.48Å
256	V	81.6	Confident	76.9	Confident	8 Å²	8	65 Å²	65	5%	0.048	34%	0.339	C	S	.	.	H	α-helix	trans	-67.5	-41	173.6	172.2	0	0	0	0	110.7	L223 L226 L237 L252 L253 F259 A260 L334	L223-V256 HydrophobicContact CD1-CG2 4.16Å; L223-V256 HydrophobicContact CD2-CG1 4.08Å; L223-V256 HydrophobicContact CD2-CG2 4.03Å; L226-V256 HydrophobicContact CD2-CG1 4.44Å; L237-V256 HydrophobicContact CD1-CG1 3.91Å; L237-V256 HydrophobicContact CD2-CG1 4.27Å; L252-V256 HydrophobicContact CD1-CG2 3.78Å; L252-V256 HydrophobicContact CG-CG2 4.36Å; L252-V256 WeakPolarHBondContact O-CB 3.5Å; L252-V256 VanDerWaalsContact O-CG2 3.27Å; L252-V256 WeakPolarHBondContact O-CG2 3.47Å; L252-V256 PolarHBondContact O-N 2.98Å; L253-V256 PolarHBondContact O-N 2.86Å; V256-F259 PolarHBondContact O-N 3.47Å; V256-A260 VanDerWaalsContact O-CB 3.28Å; V256-A260 WeakPolarHBondContact O-CB 3.46Å; V256-A260 PolarHBondContact O-N 3.35Å; V256-L334 HydrophobicContact CG2-CD2 4.03Å
257	M	82.1	Confident	79.2	Confident	33 Å²	33	62.8 Å²	62.8	16%	0.163	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-44.3	175.8	-70.4	-69.9	-73.8	0	0	111.2	Y230 D235 L237 L253 D254 F259 A260 A261	Y230-M257 HydrophobicContact CD2-SD 4.5Å; Y230-M257 HydrophobicContact CE2-CE 3.64Å; Y230-M257 HydrophobicContact CE2-SD 3.69Å; Y230-M257 WeakPolarHBondContact OH-CE 3.46Å; D235-M257 VanDerWaalsContact O-CE 3.3Å; D235-M257 WeakPolarHBondContact O-CE 3.29Å; L237-M257 HydrophobicContact CD1-CG 3.93Å; L237-M257 HydrophobicContact CD1-SD 3.22Å; L237-M257 WeakPolarHBondContact CD1-SD 3.35Å; L237-M257 HydrophobicContact CD2-SD 4.46Å; L237-M257 HydrophobicContact CG-SD 3.48Å; L237-M257 WeakPolarHBondContact CG-SD 3.49Å; L253-M257 HydrophobicContact CD1-CG 4.18Å; L253-M257 HydrophobicContact CG-CG 4.26Å; L253-M257 WeakPolarHBondContact O-CB 3.45Å; L253-M257 WeakPolarHBondContact O-CG 3.5Å; L253-M257 PolarHBondContact O-N 3.27Å; D254-M257 PolarHBondContact O-N 3.4Å; M257-F259 PolarHBondContact O-N 2.91Å; M257-A260 PolarHBondContact O-N 3.31Å; M257-A261 WeakPolarHBondContact O-CB 3.4Å; M257-A261 PolarHBondContact O-N 2.92Å
258	E	86.8	Confident	81.4	Confident	142 Å²	142	61.5 Å²	61.5	66%	0.664	31%	0.314	S	S	*	.	H	α-helix	trans	-61.9	-44.4	175.7	-175	174.3	-170	0	0	111.5	D254 S262	D254-E258 WeakPolarHBondContact O-CB 3.41Å; D254-E258 PolarHBondContact O-N 2.97Å; E258-S262 WeakPolarHBondContact O-CB 3.34Å; E258-S262 PolarHBondContact O-N 3.2Å
259	F	90.4	Very high	83.6	Confident	11 Å²	11	54.4 Å²	54.4	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-45.8	174.1	172.9	-103.8	0	0	0	111.7	A227 S255 V256 M257 A261 S262 I263 R327 L331 L334	A227-F259 HydrophobicContact CB-CD1 3.92Å; A227-F259 HydrophobicContact CB-CE1 3.7Å; S255-F259 WeakPolarHBondContact O-CB 3.35Å; S255-F259 PolarHBondContact O-N 3.48Å; V256-F259 PolarHBondContact O-N 3.47Å; M257-F259 PolarHBondContact O-N 2.91Å; F259-A261 PolarHBondContact O-N 3.22Å; F259-S262 WeakPolarHBondContact O-CA 3.49Å; F259-S262 WeakPolarHBondContact O-CB 3.46Å; F259-S262 PolarHBondContact O-N 3.02Å; F259-S262 PolarHBondContact O-OG 3.34Å; F259-I263 HydrophobicContact CZ-CB 4.3Å; F259-I263 HydrophobicContact CZ-CD1 4.44Å; F259-I263 PolarHBondContact O-N 2.98Å; F259-R327 HydrophobicContact CE2-CB 4.27Å; F259-R327 WeakPolarHBondContact CE2-O 3.48Å; F259-L331 HydrophobicContact CD1-CD1 4.17Å; F259-L331 HydrophobicContact CD2-CB 4.37Å; F259-L331 HydrophobicContact CE1-CB 4.26Å; F259-L331 HydrophobicContact CE1-CD1 3.78Å; F259-L331 HydrophobicContact CE1-CD2 4.33Å; F259-L331 HydrophobicContact CE1-CG 4.34Å; F259-L331 HydrophobicContact CE2-CB 3.71Å; F259-L331 HydrophobicContact CZ-CB 3.64Å; F259-L331 HydrophobicContact CZ-CD1 4.06Å; F259-L331 HydrophobicContact CZ-CD2 4.06Å; F259-L331 HydrophobicContact CZ-CG 4.13Å; F259-L334 HydrophobicContact CB-CD2 4.08Å; F259-L334 HydrophobicContact CG-CD2 4.48Å
260	A	88.2	Confident	85.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-47	179.1	0	0	0	0	0	111.9	A227 Y230 L237 V256 M257 S262 I263 V264	A227-A260 HydrophobicContact CB-CB 3.89Å; Y230-A260 HydrophobicContact CD1-CB 4.37Å; Y230-A260 HydrophobicContact CD2-CB 4.11Å; Y230-A260 HydrophobicContact CG-CB 3.93Å; L237-A260 HydrophobicContact CD2-CB 4.08Å; V256-A260 VanDerWaalsContact O-CB 3.28Å; V256-A260 WeakPolarHBondContact O-CB 3.46Å; V256-A260 PolarHBondContact O-N 3.35Å; M257-A260 PolarHBondContact O-N 3.31Å; A260-S262 PolarHBondContact O-N 2.95Å; A260-I263 WeakPolarHBondContact O-CG2 3.31Å; A260-I263 PolarHBondContact O-N 2.98Å; A260-V264 WeakPolarHBondContact O-CB 3.32Å; A260-V264 WeakPolarHBondContact O-CG2 3.46Å; A260-V264 PolarHBondContact O-N 2.93Å
261	A	88.1	Confident	87	Confident	28 Å²	28	49.8 Å²	49.8	23%	0.231	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-36.1	172.4	0	0	0	0	0	111.6	M257 F259 R265	M257-A261 WeakPolarHBondContact O-CB 3.4Å; M257-A261 PolarHBondContact O-N 2.92Å; F259-A261 PolarHBondContact O-N 3.22Å; A261-R265 WeakPolarHBondContact O-CG 3.48Å; A261-R265 PolarHBondContact O-N 3.22Å; A261-R265 PolarHBondContact O-NH1 3.48Å
262	S	91	Very high	88.3	Confident	6 Å²	6	43.8 Å²	43.8	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-40.3	178.9	90.5	0	0	0	0	114.2	E258 F259 A260 R265 R327	E258-S262 WeakPolarHBondContact O-CB 3.34Å; E258-S262 PolarHBondContact O-N 3.2Å; F259-S262 WeakPolarHBondContact O-CA 3.49Å; F259-S262 WeakPolarHBondContact O-CB 3.46Å; F259-S262 PolarHBondContact O-N 3.02Å; F259-S262 PolarHBondContact O-OG 3.34Å; A260-S262 PolarHBondContact O-N 2.95Å; S262-R265 VanDerWaalsContact CA-NH2 3.3Å; S262-R327 WeakPolarHBondContact OG-CD 3.3Å
263	I	91.7	Very high	89.5	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-76.8	-38.5	-179.1	-159.7	75.7	0	0	0	110.9	F224 A227 F259 A260 R265 L266 L268 R327	F224-I263 HydrophobicContact CE2-CD1 4.27Å; F224-I263 HydrophobicContact CE2-CG1 4.2Å; A227-I263 HydrophobicContact CB-CG2 3.75Å; F259-I263 HydrophobicContact CZ-CB 4.3Å; F259-I263 HydrophobicContact CZ-CD1 4.44Å; F259-I263 PolarHBondContact O-N 2.98Å; A260-I263 WeakPolarHBondContact O-CG2 3.31Å; A260-I263 PolarHBondContact O-N 2.98Å; I263-R265 VanDerWaalsContact C-N 3.27Å; I263-R265 PolarHBondContact O-N 3.23Å; I263-L266 HydrophobicContact CD1-CD1 4.3Å; I263-L266 WeakPolarHBondContact O-CB 3.4Å; I263-L266 PolarHBondContact O-N 3.36Å; I263-L268 HydrophobicContact CD1-CD1 3.97Å; I263-L268 HydrophobicContact CG1-CD1 3.95Å; I263-R327 HydrophobicContact CD1-CB 3.57Å; I263-R327 HydrophobicContact CD1-CG 3.94Å
264	V	88.9	Confident	90.6	Very high	44 Å²	44	41 Å²	41	27%	0.267	22%	0.218	S	C	.	.	H	α-helix	trans	-63.1	-34.6	176.5	170.6	0	0	0	0	111.3	A227 Y230 A260 L266 S267	A227-V264 WeakPolarHBondContact O-CG2 3.41Å; Y230-V264 HydrophobicContact CD1-CG2 4.17Å; A260-V264 WeakPolarHBondContact O-CB 3.32Å; A260-V264 WeakPolarHBondContact O-CG2 3.46Å; A260-V264 PolarHBondContact O-N 2.93Å; V264-L266 PolarHBondContact O-N 2.9Å; V264-S267 WeakPolarHBondContact O-CA 3.32Å; V264-S267 PolarHBondContact O-N 3.44Å; V264-S267 PolarHBondContact O-OG 3.41Å
265	R	91	Very high	91.5	Very high	172 Å²	172	36.4 Å²	36.4	65%	0.649	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22	173.1	-79.9	-173.9	-56.4	-103.5	10.9	114.3	A261 S262 I263 S267	A261-R265 WeakPolarHBondContact O-CG 3.48Å; A261-R265 PolarHBondContact O-N 3.22Å; A261-R265 PolarHBondContact O-NH1 3.48Å; S262-R265 VanDerWaalsContact CA-NH2 3.3Å; I263-R265 VanDerWaalsContact C-N 3.27Å; I263-R265 PolarHBondContact O-N 3.23Å; R265-S267 VanDerWaalsContact C-N 3.26Å
266	L	92.8	Very high	92.2	Very high	31 Å²	31	34.4 Å²	34.4	16%	0.162	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-17.2	172.7	-64.9	-174.9	0	0	0	112.4	I263 V264 L268 R320 K323 I324 R327	I263-L266 HydrophobicContact CD1-CD1 4.3Å; I263-L266 WeakPolarHBondContact O-CB 3.4Å; I263-L266 PolarHBondContact O-N 3.36Å; V264-L266 PolarHBondContact O-N 2.9Å; L266-L268 HydrophobicContact CB-CD2 3.71Å; L266-L268 HydrophobicContact CB-CG 4.27Å; L266-L268 HydrophobicContact CD1-CD2 4.2Å; L266-L268 PolarHBondContact O-N 2.71Å; L266-R320 PolarHBondContact O-NH1 3.17Å; L266-R320 VanDerWaalsContact O-NH1 3.15Å; L266-R320 PolarHBondContact O-NH2 2.89Å; L266-K323 HydrophobicContact CD2-CB 4.27Å; L266-I324 HydrophobicContact CD1-CG1 4.16Å; L266-R327 HydrophobicContact CD1-CG 3.58Å; L266-R327 HydrophobicContact CG-CG 4.39Å
267	S	93.4	Very high	92.9	Very high	88 Å²	88	34 Å²	34	62%	0.615	18%	0.177	S	C	*	.			trans	49.7	57.8	-177	-53.7	0	0	0	0	110.8	V264 R265 D269 R320	V264-S267 WeakPolarHBondContact O-CA 3.32Å; V264-S267 PolarHBondContact O-N 3.44Å; V264-S267 PolarHBondContact O-OG 3.41Å; R265-S267 VanDerWaalsContact C-N 3.26Å; S267-D269 PolarHBondContact O-N 2.98Å; S267-R320 PolarHBondContact O-NH2 3.38Å; S267-R320 VanDerWaalsContact O-NH2 3.09Å
268	L	95.3	Very high	93.6	Very high	29 Å²	29	32.5 Å²	32.5	15%	0.152	17%	0.17	C	C	.	.			trans	-61.8	132	179.8	-57.1	-172.3	0	0	0	109.7	F224 I263 L266 E272 I324	F224-L268 HydrophobicContact CE2-CD1 4.37Å; F224-L268 HydrophobicContact CZ-CD1 4.27Å; I263-L268 HydrophobicContact CD1-CD1 3.97Å; I263-L268 HydrophobicContact CG1-CD1 3.95Å; L266-L268 HydrophobicContact CB-CD2 3.71Å; L266-L268 HydrophobicContact CB-CG 4.27Å; L266-L268 HydrophobicContact CD1-CD2 4.2Å; L266-L268 PolarHBondContact O-N 2.71Å; L268-E272 WeakPolarHBondContact CA-OE2 3.22Å; L268-E272 HydrophobicContact CB-CB 4.16Å; L268-E272 HydrophobicContact CD2-CB 4.3Å; L268-I324 HydrophobicContact CD2-CD1 3.81Å; L268-I324 HydrophobicContact CD2-CG1 3.77Å
269	D	95.5	Very high	94.2	Very high	32 Å²	32	26.1 Å²	26.1	17%	0.171	14%	0.14	C	C	.	.			trans	-75.5	176.8	167.2	72	28.2	0	0	0	111.1	S267 C271 E272 S273 Y309 Y314	S267-D269 PolarHBondContact O-N 2.98Å; D269-C271 VanDerWaalsContact C-N 3.27Å; D269-C271 PolarHBondContact O-N 3.33Å; D269-C271 WeakPolarHBondContact OD1-CA 3.35Å; D269-C271 VanDerWaalsContact OD1-CB 3.29Å; D269-C271 WeakPolarHBondContact OD1-CB 3.44Å; D269-C271 PolarHBondContact OD1-N 3.47Å; D269-E272 PolarHBondContact N-OE2 3.34Å; D269-E272 PolarHBondContact O-N 3.21Å; D269-E272 WeakPolarHBondContact OD1-CG 3.39Å; D269-E272 PolarHBondContact OD1-N 3.26Å; D269-S273 WeakPolarHBondContact O-CB 3.44Å; D269-S273 PolarHBondContact O-N 3.02Å; D269-S273 PolarHBondContact O-OG 3.49Å; D269-Y309 VanDerWaalsContact OD2-CE1 3.24Å; D269-Y309 WeakPolarHBondContact OD2-CE1 3.35Å; D269-Y309 VanDerWaalsContact OD2-CZ 3.31Å; D269-Y309 PolarHBondContact OD2-OH 2.87Å; D269-Y314 PolarHBondContact OD2-OH 3.33Å; D269-Y314 VanDerWaalsContact OD2-OH 3.07Å
270	D	94.9	Very high	94.4	Very high	74 Å²	74	25.9 Å²	25.9	40%	0.396	14%	0.139	S	C	.	.	H	α-helix	trans	-65.9	-32.1	-177.6	-74.4	11.4	0	0	0	112.4	T156 K164 A274	T156-D270 HydrophobicContact CG2-CB 3.74Å; K164-D270 IonicContact NZ-OD1 2.96Å; K164-D270 PolarHBondContact NZ-OD1 3.21Å; K164-D270 IonicContact NZ-OD2 3.84Å; K164-D270 PolarHBondContact NZ-OD2 2.97Å; D270-A274 WeakPolarHBondContact O-CB 3.22Å; D270-A274 PolarHBondContact O-N 3.44Å
271	C	96.9	Very high	94.7	Very high	16 Å²	16	25.9 Å²	25.9	11%	0.108	14%	0.139	C	C	.	.	H	α-helix	trans	-70.5	-48	178.5	-59.1	0	0	0	0	110.9	I152 T156 D269 S273 A274 L275 Y309	I152-C271 HydrophobicContact CG2-CB 3.82Å; T156-C271 WeakPolarHBondContact OG1-CA 3.49Å; D269-C271 VanDerWaalsContact C-N 3.27Å; D269-C271 PolarHBondContact O-N 3.33Å; D269-C271 WeakPolarHBondContact OD1-CA 3.35Å; D269-C271 VanDerWaalsContact OD1-CB 3.29Å; D269-C271 WeakPolarHBondContact OD1-CB 3.44Å; D269-C271 PolarHBondContact OD1-N 3.47Å; C271-S273 VanDerWaalsContact C-N 3.31Å; C271-S273 PolarHBondContact O-N 3.06Å; C271-A274 PolarHBondContact O-N 3.4Å; C271-L275 WeakPolarHBondContact O-CB 3.2Å; C271-L275 WeakPolarHBondContact O-CG 3.34Å; C271-L275 PolarHBondContact O-N 2.88Å; C271-Y309 HydrophobicContact CB-CD1 4.35Å; C271-Y309 HydrophobicContact CB-CE1 3.72Å; C271-Y309 HydrophobicContact CB-CE2 3.9Å; C271-Y309 VanDerWaalsContact CB-CZ 3.46Å
272	E	97.6	Very high	95.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.5	-42.2	175.6	-70.2	179.9	142.8	0	0	111.1	L268 D269 L275 A276 L306 Y309 N310 Y314 R320 I324	L268-E272 WeakPolarHBondContact CA-OE2 3.22Å; L268-E272 HydrophobicContact CB-CB 4.16Å; L268-E272 HydrophobicContact CD2-CB 4.3Å; D269-E272 PolarHBondContact N-OE2 3.34Å; D269-E272 PolarHBondContact O-N 3.21Å; D269-E272 WeakPolarHBondContact OD1-CG 3.39Å; D269-E272 PolarHBondContact OD1-N 3.26Å; E272-L275 PolarHBondContact O-N 3.45Å; E272-A276 WeakPolarHBondContact O-CB 3.39Å; E272-A276 PolarHBondContact O-N 2.98Å; E272-L306 HydrophobicContact CG-CD1 4.36Å; E272-Y309 HydrophobicContact CG-CD1 4.18Å; E272-Y309 HydrophobicContact CG-CE1 3.95Å; E272-N310 PolarHBondContact OE1-ND2 2.65Å; E272-Y314 WeakPolarHBondContact OE1-CE2 3.43Å; E272-R320 WeakPolarHBondContact OE1-CD 3.22Å; E272-R320 IonicContact OE1-CZ 3.16Å; E272-R320 IonicContact OE1-NE 2.59Å; E272-R320 PolarHBondContact OE1-NE 3.42Å; E272-R320 IonicContact OE1-NH2 3.81Å; E272-R320 IonicContact OE2-CZ 2.86Å; E272-R320 IonicContact OE2-NE 3.84Å; E272-R320 PolarHBondContact OE2-NE 3.21Å; E272-R320 IonicContact OE2-NH2 3.04Å; E272-R320 PolarHBondContact OE2-NH2 3.48Å; E272-I324 HydrophobicContact CB-CD1 4.26Å; E272-I324 HydrophobicContact CG-CD1 4.15Å
273	S	96.4	Very high	95.1	Very high	7 Å²	7	25.4 Å²	25.4	5%	0.049	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-42.7	177.2	-59.1	0	0	0	0	112	D269 C271 A276 A277	D269-S273 WeakPolarHBondContact O-CB 3.44Å; D269-S273 PolarHBondContact O-N 3.02Å; D269-S273 PolarHBondContact O-OG 3.49Å; C271-S273 VanDerWaalsContact C-N 3.31Å; C271-S273 PolarHBondContact O-N 3.06Å; S273-A276 PolarHBondContact O-N 3.48Å; S273-A277 WeakPolarHBondContact O-CB 3.44Å; S273-A277 PolarHBondContact O-N 3.21Å
274	A	97.3	Very high	95	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-46.2	177.3	0	0	0	0	0	111.6	L155 Y159 D270 C271 A277 V278	L155-A274 HydrophobicContact CD2-CB 4.44Å; L155-A274 HydrophobicContact CG-CB 4.19Å; Y159-A274 HydrophobicContact CD1-CB 3.93Å; Y159-A274 HydrophobicContact CD2-CB 4.35Å; Y159-A274 HydrophobicContact CG-CB 3.7Å; D270-A274 WeakPolarHBondContact O-CB 3.22Å; D270-A274 PolarHBondContact O-N 3.44Å; C271-A274 PolarHBondContact O-N 3.4Å; A274-A277 PolarHBondContact O-N 2.84Å; A274-V278 WeakPolarHBondContact O-CG2 3.47Å; A274-V278 PolarHBondContact O-N 2.59Å; A274-V278 VanDerWaalsContact O-N 3.12Å
275	L	98.2	Very high	94.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-42.6	176.3	-72.3	166.8	0	0	0	111.8	I152 L155 C271 E272 A277 V278 L279 F302 A305 L306	I152-L275 HydrophobicContact CD1-CD1 4.3Å; I152-L275 HydrophobicContact CG1-CD1 4.38Å; I152-L275 HydrophobicContact CG2-CD1 4.36Å; L155-L275 HydrophobicContact CD2-CD2 3.77Å; L155-L275 HydrophobicContact CD2-CG 4.27Å; C271-L275 WeakPolarHBondContact O-CB 3.2Å; C271-L275 WeakPolarHBondContact O-CG 3.34Å; C271-L275 PolarHBondContact O-N 2.88Å; E272-L275 PolarHBondContact O-N 3.45Å; L275-A277 PolarHBondContact O-N 2.77Å; L275-V278 PolarHBondContact O-N 3.42Å; L275-L279 WeakPolarHBondContact O-CB 3.3Å; L275-L279 VanDerWaalsContact O-CG 3.27Å; L275-L279 WeakPolarHBondContact O-CG 3.5Å; L275-L279 PolarHBondContact O-N 3.48Å; L275-F302 HydrophobicContact CD2-CD1 4.03Å; L275-A305 HydrophobicContact CD2-CB 4.03Å; L275-L306 HydrophobicContact CB-CD1 4.25Å; L275-L306 HydrophobicContact CD1-CB 4.12Å; L275-L306 HydrophobicContact CD1-CD1 4.02Å
276	A	98	Very high	93.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-43.6	176.4	0	0	0	0	0	111.9	F224 E272 S273 V278 L279 I280 I324 L328	F224-A276 HydrophobicContact CE1-CB 4.2Å; F224-A276 HydrophobicContact CE2-CB 4.08Å; F224-A276 HydrophobicContact CZ-CB 3.55Å; E272-A276 WeakPolarHBondContact O-CB 3.39Å; E272-A276 PolarHBondContact O-N 2.98Å; S273-A276 PolarHBondContact O-N 3.48Å; A276-V278 VanDerWaalsContact C-N 3.34Å; A276-V278 PolarHBondContact O-N 3.25Å; A276-L279 PolarHBondContact O-N 3.46Å; A276-I280 WeakPolarHBondContact O-CG1 3.42Å; A276-I280 PolarHBondContact O-N 3.44Å; A276-I324 HydrophobicContact CB-CG2 4.3Å; A276-L328 HydrophobicContact CB-CD1 4.24Å; A276-L328 HydrophobicContact CB-CD2 4.3Å
277	A	96.8	Very high	92	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-42.9	174.9	0	0	0	0	0	111.9	Y159 F195 L221 F224 S273 A274 L275 L279 I280 L281	Y159-A277 HydrophobicContact CD2-CB 4.08Å; Y159-A277 HydrophobicContact CE2-CB 3.76Å; F195-A277 HydrophobicContact CE1-CB 4.38Å; F195-A277 HydrophobicContact CZ-CB 4.29Å; L221-A277 HydrophobicContact CD2-CB 4.06Å; L221-A277 WeakPolarHBondContact CD2-O 3.44Å; F224-A277 HydrophobicContact CD1-CB 4.36Å; F224-A277 HydrophobicContact CE1-CB 4.2Å; S273-A277 WeakPolarHBondContact O-CB 3.44Å; S273-A277 PolarHBondContact O-N 3.21Å; A274-A277 PolarHBondContact O-N 2.84Å; L275-A277 PolarHBondContact O-N 2.77Å; A277-L279 PolarHBondContact O-N 2.89Å; A277-I280 PolarHBondContact O-N 3.48Å; A277-L281 PolarHBondContact O-N 3.38Å
278	V	97.7	Very high	91.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-42	174.8	176.9	0	0	0	0	111.6	L155 F195 I199 A274 L275 A276 I280 L281 L282 F302	L155-V278 HydrophobicContact CD1-CG2 3.69Å; L155-V278 HydrophobicContact CD2-CG2 3.78Å; L155-V278 HydrophobicContact CG-CG2 4.28Å; F195-V278 HydrophobicContact CZ-CG2 3.96Å; I199-V278 HydrophobicContact CD1-CB 4.48Å; I199-V278 HydrophobicContact CD1-CG1 4.27Å; I199-V278 HydrophobicContact CD1-CG2 3.83Å; I199-V278 HydrophobicContact CG1-CG2 4.02Å; I199-V278 HydrophobicContact CG2-CG1 3.96Å; I199-V278 HydrophobicContact CG2-CG2 4.31Å; A274-V278 WeakPolarHBondContact O-CG2 3.47Å; A274-V278 PolarHBondContact O-N 2.59Å; A274-V278 VanDerWaalsContact O-N 3.12Å; L275-V278 PolarHBondContact O-N 3.42Å; A276-V278 VanDerWaalsContact C-N 3.34Å; A276-V278 PolarHBondContact O-N 3.25Å; V278-I280 VanDerWaalsContact C-N 3.34Å; V278-I280 PolarHBondContact O-N 2.83Å; V278-L281 PolarHBondContact O-N 2.97Å; V278-L281 VanDerWaalsContact O-N 3.14Å; V278-L282 HydrophobicContact CG1-CD1 3.56Å; V278-L282 HydrophobicContact CG1-CG 4.01Å; V278-L282 WeakPolarHBondContact O-CB 3.4Å; V278-L282 PolarHBondContact O-N 2.86Å; V278-F302 HydrophobicContact CB-CD1 4.15Å; V278-F302 HydrophobicContact CB-CE1 4.38Å; V278-F302 HydrophobicContact CB-CG 4.44Å; V278-F302 HydrophobicContact CG1-CB 4.36Å; V278-F302 HydrophobicContact CG1-CD1 3.6Å; V278-F302 HydrophobicContact CG1-CD2 3.7Å; V278-F302 HydrophobicContact CG1-CE1 3.69Å; V278-F302 HydrophobicContact CG1-CE2 3.83Å; V278-F302 HydrophobicContact CG1-CG 3.61Å; V278-F302 HydrophobicContact CG1-CZ 3.83Å; V278-F302 HydrophobicContact CG2-CD1 4.48Å; V278-F302 HydrophobicContact CG2-CE1 4.33Å
279	L	97.8	Very high	91.2	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-68	-30.7	-180	-71	170.1	0	0	0	113.4	L275 A276 A277 Q299 F302 L303 L306 L325 L328	L275-L279 WeakPolarHBondContact O-CB 3.3Å; L275-L279 VanDerWaalsContact O-CG 3.27Å; L275-L279 WeakPolarHBondContact O-CG 3.5Å; L275-L279 PolarHBondContact O-N 3.48Å; A276-L279 PolarHBondContact O-N 3.46Å; A277-L279 PolarHBondContact O-N 2.89Å; L279-Q299 HydrophobicContact CD2-CG 3.85Å; L279-F302 HydrophobicContact CD2-CB 3.85Å; L279-F302 HydrophobicContact CG-CB 4.29Å; L279-L303 HydrophobicContact CD1-CD2 4.04Å; L279-L303 HydrophobicContact CD2-CD2 3.75Å; L279-L303 HydrophobicContact CD2-CG 3.68Å; L279-L306 HydrophobicContact CD1-CD2 3.77Å; L279-L325 HydrophobicContact CD1-CD2 4.06Å; L279-L328 HydrophobicContact CB-CD1 4.13Å
280	I	95.9	Very high	91.1	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-46.8	169	-68.7	164	0	0	0	109.8	Y217 E220 L221 F224 A276 A277 V278 L328 L331	Y217-I280 HydrophobicContact CD1-CG2 4.35Å; Y217-I280 VanDerWaalsContact CD1-O 3.25Å; Y217-I280 WeakPolarHBondContact CD1-O 3.39Å; Y217-I280 VanDerWaalsContact CG-O 3.3Å; E220-I280 HydrophobicContact CB-CG2 3.7Å; L221-I280 HydrophobicContact CD2-CB 3.97Å; L221-I280 HydrophobicContact CD2-CD1 4.35Å; L221-I280 HydrophobicContact CD2-CG2 3.89Å; L221-I280 HydrophobicContact CG-CB 4.5Å; L221-I280 HydrophobicContact CG-CG2 3.89Å; F224-I280 HydrophobicContact CB-CD1 3.56Å; F224-I280 HydrophobicContact CD1-CD1 3.91Å; F224-I280 HydrophobicContact CD2-CD1 3.75Å; F224-I280 HydrophobicContact CE2-CD1 4.44Å; F224-I280 HydrophobicContact CG-CD1 3.44Å; F224-I280 VanDerWaalsContact CG-CD1 3.44Å; A276-I280 WeakPolarHBondContact O-CG1 3.42Å; A276-I280 PolarHBondContact O-N 3.44Å; A277-I280 PolarHBondContact O-N 3.48Å; V278-I280 VanDerWaalsContact C-N 3.34Å; V278-I280 PolarHBondContact O-N 2.83Å; I280-L328 HydrophobicContact CD1-CD2 3.86Å; I280-L328 HydrophobicContact CG1-CD1 4.27Å; I280-L328 HydrophobicContact CG1-CD2 3.86Å; I280-L331 HydrophobicContact CD1-CD2 3.77Å; I280-L331 HydrophobicContact CG1-CD2 4.39Å
281	L	95	Very high	91.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.9	-40.7	-177.4	-177.8	61.1	0	0	0	112.9	A196 I199 F202 L213 L214 L221 A277 V278 N283	A196-L281 HydrophobicContact CB-CD2 3.62Å; I199-L281 HydrophobicContact CD1-CD2 3.72Å; F202-L281 HydrophobicContact CD2-CD2 4.43Å; F202-L281 HydrophobicContact CE2-CD2 3.93Å; F202-L281 HydrophobicContact CE2-CG 4.29Å; F202-L281 HydrophobicContact CZ-CD2 4.38Å; L213-L281 HydrophobicContact CB-CD1 4.17Å; L213-L281 WeakPolarHBondContact CD2-O 3.36Å; L214-L281 HydrophobicContact CD2-CD1 4.08Å; L214-L281 HydrophobicContact CD2-CD2 4.47Å; L214-L281 HydrophobicContact CG-CD1 4.39Å; L221-L281 HydrophobicContact CD1-CB 4.26Å; L221-L281 HydrophobicContact CD1-CD1 4.26Å; A277-L281 PolarHBondContact O-N 3.38Å; V278-L281 PolarHBondContact O-N 2.97Å; V278-L281 VanDerWaalsContact O-N 3.14Å; L281-N283 VanDerWaalsContact C-N 3.29Å; L281-N283 PolarHBondContact O-N 3.25Å
282	L	95.4	Very high	91	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-89.6	60.7	-179.1	-64.4	-177.5	0	0	0	110.8	F202 L205 L213 V278 V295 L298 Q299 F302	F202-L282 HydrophobicContact CD2-CD2 3.98Å; F202-L282 HydrophobicContact CE2-CD2 4.34Å; L205-L282 HydrophobicContact CD1-CD2 4.38Å; L213-L282 HydrophobicContact CD1-CD2 4.35Å; V278-L282 HydrophobicContact CG1-CD1 3.56Å; V278-L282 HydrophobicContact CG1-CG 4.01Å; V278-L282 WeakPolarHBondContact O-CB 3.4Å; V278-L282 PolarHBondContact O-N 2.86Å; L282-V295 HydrophobicContact CD2-CG1 4.43Å; L282-L298 HydrophobicContact CD1-CB 4.43Å; L282-L298 HydrophobicContact CD1-CD2 3.91Å; L282-L298 HydrophobicContact CD1-CG 3.72Å; L282-L298 HydrophobicContact CD2-CD2 3.91Å; L282-Q299 HydrophobicContact CB-CB 4.24Å; L282-Q299 HydrophobicContact CB-CG 4.44Å; L282-Q299 WeakPolarHBondContact O-CG 3.19Å; L282-Q299 PolarHBondContact O-NE2 3.44Å; L282-F302 HydrophobicContact CD1-CD2 3.48Å; L282-F302 VanDerWaalsContact CD1-CD2 3.48Å; L282-F302 HydrophobicContact CD1-CE2 3.54Å; L282-F302 HydrophobicContact CD1-CG 4.48Å
283	N	91.8	Very high	90.9	Very high	24 Å²	24	43.7 Å²	43.7	13%	0.128	22%	0.215	C	C	.	.			trans	-118.7	119.6	174.9	177.8	-0.9	0	0	0	109.6	Y217 L281 E285	Y217-N283 HydrophobicContact CE1-CB 3.97Å; Y217-N283 HydrophobicContact CE2-CB 4.08Å; Y217-N283 WeakPolarHBondContact CE2-O 3.45Å; Y217-N283 VanDerWaalsContact OH-CB 3.29Å; Y217-N283 WeakPolarHBondContact OH-CB 3.49Å; Y217-N283 PolarHBondContact OH-ND2 2.72Å; Y217-N283 PolarHBondContact OH-O 2.87Å; L281-N283 VanDerWaalsContact C-N 3.29Å; L281-N283 PolarHBondContact O-N 3.25Å; N283-E285 VanDerWaalsContact C-N 3.33Å; N283-E285 PolarHBondContact O-N 2.95Å; N283-E285 WeakPolarHBondContact OD1-CB 3.28Å; N283-E285 WeakPolarHBondContact OD1-CG 3.23Å; N283-E285 PolarHBondContact OD1-N 3.41Å
284	P	88.1	Confident	90.8	Very high	27 Å²	27	47.9 Å²	47.9	18%	0.175	23%	0.232	C	C	.	.	S	Bend	trans	-77.5	-14.6	-177.6	31	-34.9	0	0	0	114	K286 L289 P292	P284-K286 PolarHBondContact O-N 2.92Å; P284-L289 HydrophobicContact CB-CD1 3.99Å; P284-P292 HydrophobicContact CB-CB 4.33Å
285	E	79.3	Confident	90.8	Very high	156 Å²	156	47.9 Å²	47.9	73%	0.729	23%	0.232	S	C	*	.	S	Bend	trans	-67.1	-37.3	-166.4	-70.2	-173.5	154.9	0	0	114.5	N283	N283-E285 VanDerWaalsContact C-N 3.33Å; N283-E285 PolarHBondContact O-N 2.95Å; N283-E285 WeakPolarHBondContact OD1-CB 3.28Å; N283-E285 WeakPolarHBondContact OD1-CG 3.23Å; N283-E285 PolarHBondContact OD1-N 3.41Å
286	K	68.2	Low	90.7	Very high	64 Å²	64	52.6 Å²	52.6	28%	0.278	25%	0.254	S	S	.	.	S	Bend	trans	-85.7	-20.3	-171.1	-155.7	-175.2	-162.3	170.5	0	113.2	S216 Y217 E220 P284	S216-K286 PolarHBondContact O-NZ 2.88Å; Y217-K286 HydrophobicContact CE1-CB 4.26Å; Y217-K286 HydrophobicContact CE1-CD 4.26Å; Y217-K286 HydrophobicContact CE2-CB 4.37Å; Y217-K286 WeakPolarHBondContact OH-CB 3.2Å; Y217-K286 PolarHBondContact OH-N 3.02Å; E220-K286 IonicContact OE1-NZ 3.25Å; E220-K286 PolarHBondContact OE1-NZ 3.37Å; P284-K286 PolarHBondContact O-N 2.92Å
287	A	63.2	Low	90.7	Very high	12 Å²	12	57.8 Å²	57.8	10%	0.099	28%	0.278	C	S	.	.	S	Bend	trans	-107.4	131.4	-168.4	0	0	0	0	0	110.5	T212 L289	T212-A287 HydrophobicContact CG2-CB 3.44Å; T212-A287 VanDerWaalsContact CG2-CB 3.44Å; A287-L289 HydrophobicContact CB-CD1 4.34Å; A287-L289 HydrophobicContact CB-CD2 3.41Å; A287-L289 VanDerWaalsContact CB-CD2 3.41Å; A287-L289 HydrophobicContact CB-CG 3.54Å; A287-L289 PolarHBondContact O-N 3.46Å
288	K	80.8	Confident	90.7	Very high	211 Å²	211	58.8 Å²	58.8	92%	0.917	28%	0.284	S	S	*	.			trans	-70.2	68.3	163.1	-68.9	-177.3	-179.7	179.6	0	108.7
289	L	91	Very high	90.7	Very high	19 Å²	19	60.5 Å²	60.5	10%	0.099	29%	0.292	C	S	.	.			trans	-66.2	147.1	179.5	-61.4	174.6	0	0	0	109.4	D209 T212 L213 P284 A287 P292 V295	D209-L289 HydrophobicContact CB-CD2 3.88Å; D209-L289 VanDerWaalsContact OD1-CA 3.22Å; D209-L289 WeakPolarHBondContact OD1-CA 3.48Å; D209-L289 WeakPolarHBondContact OD1-CB 3.44Å; T212-L289 HydrophobicContact CG2-CD2 4.34Å; L213-L289 HydrophobicContact CD2-CD1 4.15Å; L213-L289 HydrophobicContact CD2-CD2 4.02Å; L213-L289 HydrophobicContact CG-CD2 4.05Å; P284-L289 HydrophobicContact CB-CD1 3.99Å; A287-L289 HydrophobicContact CB-CD1 4.34Å; A287-L289 HydrophobicContact CB-CD2 3.41Å; A287-L289 VanDerWaalsContact CB-CD2 3.41Å; A287-L289 HydrophobicContact CB-CG 3.54Å; A287-L289 PolarHBondContact O-N 3.46Å; L289-P292 HydrophobicContact CB-CB 4.29Å; L289-P292 HydrophobicContact CD1-CB 4.43Å; L289-V295 HydrophobicContact CD1-CB 4.06Å; L289-V295 HydrophobicContact CD1-CG1 4.32Å; L289-V295 HydrophobicContact CD1-CG2 3.76Å
290	E	93.3	Very high	90.6	Very high	135 Å²	135	64.5 Å²	64.5	63%	0.631	31%	0.313	S	S	*	.	S	Bend	trans	-71.6	-36.2	170.2	-66.1	-170.6	161.4	0	0	110.8	Q208 D209	Q208-E290 HydrophobicContact CB-CG 4.46Å; Q208-E290 HydrophobicContact CG-CG 4.09Å; D209-E290 PolarHBondContact OD1-N 3.45Å
291	Q	94.3	Very high	90.6	Very high	86 Å²	86	67.7 Å²	67.7	40%	0.402	33%	0.333	S	S	.	.			trans	-130.1	62.7	-175.3	-52.6	-172.3	-63.2	0	0	111.7	D209 D293 K294 V295	D209-Q291 WeakPolarHBondContact OD2-CA 3.37Å; D209-Q291 WeakPolarHBondContact OD2-CB 3.26Å; D209-Q291 PolarHBondContact OD2-N 3.31Å; Q291-D293 PolarHBondContact O-N 2.82Å; Q291-K294 HydrophobicContact CB-CB 4.12Å; Q291-K294 HydrophobicContact CB-CG 4.12Å; Q291-K294 PolarHBondContact O-N 3.42Å; Q291-V295 PolarHBondContact O-N 3.03Å
292	P	94.7	Very high	90.7	Very high	52 Å²	52	67.7 Å²	67.7	34%	0.338	33%	0.333	S	S	.	.	H	α-helix	trans	-56.5	-38.5	-178.5	23.9	-33.9	0	0	0	112.6	P284 L289 K294 V295 E296	P284-P292 HydrophobicContact CB-CB 4.33Å; L289-P292 HydrophobicContact CB-CB 4.29Å; L289-P292 HydrophobicContact CD1-CB 4.43Å; P292-K294 PolarHBondContact O-N 3.28Å; P292-V295 PolarHBondContact O-N 3.22Å; P292-V295 VanDerWaalsContact O-N 3.07Å; P292-E296 PolarHBondContact O-N 3.38Å
293	D	95.3	Very high	90.7	Very high	111 Å²	111	69.5 Å²	69.5	59%	0.594	34%	0.342	S	S	*	.	H	α-helix	trans	-58.6	-34.8	178.6	-56	-20.7	0	0	0	112.3	Q291 E296 E297	Q291-D293 PolarHBondContact O-N 2.82Å; D293-E296 PolarHBondContact O-N 2.72Å; D293-E297 WeakPolarHBondContact O-CB 3.28Å; D293-E297 VanDerWaalsContact O-CG 3.32Å; D293-E297 WeakPolarHBondContact O-CG 3.31Å; D293-E297 PolarHBondContact O-N 3.37Å
294	K	96	Very high	90.9	Very high	95 Å²	95	69.8 Å²	69.8	41%	0.413	35%	0.346	S	S	.	.	H	α-helix	trans	-72.6	-33.4	178.7	-72	-73.5	156.1	-148.8	0	112.2	L205 Q291 P292 E297 L298	L205-K294 HydrophobicContact CD2-CB 4.09Å; Q291-K294 HydrophobicContact CB-CB 4.12Å; Q291-K294 HydrophobicContact CB-CG 4.12Å; Q291-K294 PolarHBondContact O-N 3.42Å; P292-K294 PolarHBondContact O-N 3.28Å; K294-E297 IonicContact NZ-OE1 2.75Å; K294-E297 PolarHBondContact NZ-OE1 3.2Å; K294-E297 IonicContact NZ-OE2 2.7Å; K294-E297 PolarHBondContact NZ-OE2 3.36Å; K294-L298 WeakPolarHBondContact O-CB 3.42Å; K294-L298 PolarHBondContact O-N 3.31Å
295	V	96.6	Very high	91.2	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-71.6	-40.4	175	178.6	0	0	0	0	110.3	L205 L213 L282 L289 Q291 P292 L298 Q299	L205-V295 HydrophobicContact CD1-CG2 4.08Å; L205-V295 HydrophobicContact CD2-CG2 4.03Å; L213-V295 HydrophobicContact CD1-CG1 4.13Å; L213-V295 HydrophobicContact CD1-CG2 4.01Å; L213-V295 HydrophobicContact CD2-CG1 4.23Å; L282-V295 HydrophobicContact CD2-CG1 4.43Å; L289-V295 HydrophobicContact CD1-CB 4.06Å; L289-V295 HydrophobicContact CD1-CG1 4.32Å; L289-V295 HydrophobicContact CD1-CG2 3.76Å; Q291-V295 PolarHBondContact O-N 3.03Å; P292-V295 PolarHBondContact O-N 3.22Å; P292-V295 VanDerWaalsContact O-N 3.07Å; V295-L298 PolarHBondContact O-N 3.11Å; V295-Q299 WeakPolarHBondContact O-CB 3.46Å; V295-Q299 PolarHBondContact O-N 2.99Å
296	E	96.2	Very high	92.1	Very high	98 Å²	98	61.2 Å²	61.2	46%	0.458	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-47.2	175.2	-170.3	174.3	-174.6	0	0	111.7	P292 D293 L298 Q299 D300	P292-E296 PolarHBondContact O-N 3.38Å; D293-E296 PolarHBondContact O-N 2.72Å; E296-L298 PolarHBondContact O-N 2.98Å; E296-Q299 WeakPolarHBondContact O-CB 3.48Å; E296-Q299 PolarHBondContact O-N 3.3Å; E296-Q299 VanDerWaalsContact O-N 3.1Å; E296-D300 PolarHBondContact O-N 2.82Å
297	E	96.7	Very high	93.4	Very high	109 Å²	109	61.2 Å²	61.2	51%	0.509	30%	0.302	S	S	.	.	H	α-helix	trans	-55.2	-39.6	173.9	-78.8	175.5	-171.9	0	0	112.1	D293 K294	D293-E297 WeakPolarHBondContact O-CB 3.28Å; D293-E297 VanDerWaalsContact O-CG 3.32Å; D293-E297 WeakPolarHBondContact O-CG 3.31Å; D293-E297 PolarHBondContact O-N 3.37Å; K294-E297 IonicContact NZ-OE1 2.75Å; K294-E297 PolarHBondContact NZ-OE1 3.2Å; K294-E297 IonicContact NZ-OE2 2.7Å; K294-E297 PolarHBondContact NZ-OE2 3.36Å
298	L	97	Very high	94.9	Very high	22 Å²	22	61 Å²	61	12%	0.115	30%	0.3	C	S	.	.	H	α-helix	trans	-73	-42	177.1	-174.4	59.8	0	0	0	111.6	L205 L282 K294 V295 E296 D300 V301 F302	L205-L298 HydrophobicContact CD1-CD2 4.21Å; L205-L298 HydrophobicContact CG-CD2 4.4Å; L282-L298 HydrophobicContact CD1-CB 4.43Å; L282-L298 HydrophobicContact CD1-CD2 3.91Å; L282-L298 HydrophobicContact CD1-CG 3.72Å; L282-L298 HydrophobicContact CD2-CD2 3.91Å; K294-L298 WeakPolarHBondContact O-CB 3.42Å; K294-L298 PolarHBondContact O-N 3.31Å; V295-L298 PolarHBondContact O-N 3.11Å; E296-L298 PolarHBondContact O-N 2.98Å; L298-D300 VanDerWaalsContact C-N 3.28Å; L298-D300 PolarHBondContact O-N 3.27Å; L298-V301 WeakPolarHBondContact O-CB 3.34Å; L298-V301 PolarHBondContact O-N 2.99Å; L298-F302 HydrophobicContact CD1-CE2 3.82Å; L298-F302 HydrophobicContact CG-CE2 3.96Å; L298-F302 WeakPolarHBondContact O-CD2 3.39Å
299	Q	97.1	Very high	95.6	Very high	36 Å²	36	52.2 Å²	52.2	17%	0.168	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-41.8	176.1	-172.3	-170.5	49.4	0	0	111.3	L279 L282 V295 E296 V301 F302 L303	L279-Q299 HydrophobicContact CD2-CG 3.85Å; L282-Q299 HydrophobicContact CB-CB 4.24Å; L282-Q299 HydrophobicContact CB-CG 4.44Å; L282-Q299 WeakPolarHBondContact O-CG 3.19Å; L282-Q299 PolarHBondContact O-NE2 3.44Å; V295-Q299 WeakPolarHBondContact O-CB 3.46Å; V295-Q299 PolarHBondContact O-N 2.99Å; E296-Q299 WeakPolarHBondContact O-CB 3.48Å; E296-Q299 PolarHBondContact O-N 3.3Å; E296-Q299 VanDerWaalsContact O-N 3.1Å; Q299-V301 PolarHBondContact O-N 3.49Å; Q299-F302 PolarHBondContact O-N 2.98Å; Q299-L303 HydrophobicContact CG-CD1 4.04Å; Q299-L303 HydrophobicContact CG-CG 4.25Å; Q299-L303 PolarHBondContact O-N 2.87Å
300	D	96.4	Very high	95.8	Very high	91 Å²	91	51.4 Å²	51.4	49%	0.487	26%	0.257	S	S	.	.	H	α-helix	trans	-56.3	-35.9	178	-87.6	-13.7	0	0	0	112.9	E296 L298 L303 S304	E296-D300 PolarHBondContact O-N 2.82Å; L298-D300 VanDerWaalsContact C-N 3.28Å; L298-D300 PolarHBondContact O-N 3.27Å; D300-L303 PolarHBondContact O-N 3.39Å; D300-S304 VanDerWaalsContact O-CB 3.29Å; D300-S304 WeakPolarHBondContact O-CB 3.46Å; D300-S304 PolarHBondContact O-N 3.38Å
301	V	95.7	Very high	95.8	Very high	74 Å²	74	45.9 Å²	45.9	45%	0.448	23%	0.234	S	C	.	.	H	α-helix	trans	-61.5	-46.7	175.5	179.6	0	0	0	0	110.4	F151 L298 Q299 S304 A305	F151-V301 HydrophobicContact CZ-CG1 4.27Å; L298-V301 WeakPolarHBondContact O-CB 3.34Å; L298-V301 PolarHBondContact O-N 2.99Å; Q299-V301 PolarHBondContact O-N 3.49Å; V301-S304 PolarHBondContact O-N 2.83Å; V301-A305 WeakPolarHBondContact O-CB 3.12Å; V301-A305 PolarHBondContact O-N 3.46Å
302	F	97.4	Very high	95.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-74.4	-33.6	-179.6	-64.6	-84.4	0	0	0	112.6	F151 L155 I199 L275 V278 L279 L282 L298 Q299 S304 A305 L306	F151-F302 HydrophobicContact CE1-CD1 4.02Å; F151-F302 AromaticContact CE1-CE1 3.9Å; F151-F302 HydrophobicContact CE1-CE1 3.9Å; F151-F302 HydrophobicContact CE2-CE1 4.17Å; F151-F302 HydrophobicContact CE2-CZ 4.33Å; F151-F302 AromaticContact CZ-CD1 3.79Å; F151-F302 HydrophobicContact CZ-CD1 3.79Å; F151-F302 AromaticContact CZ-CE1 3.26Å; F151-F302 HydrophobicContact CZ-CE1 3.26Å; F151-F302 AromaticContact CZ-CZ 3.68Å; F151-F302 HydrophobicContact CZ-CZ 3.68Å; L155-F302 HydrophobicContact CD2-CD1 4.13Å; L155-F302 HydrophobicContact CD2-CE1 3.98Å; I199-F302 HydrophobicContact CG2-CE1 4.09Å; I199-F302 HydrophobicContact CG2-CE2 4.06Å; I199-F302 HydrophobicContact CG2-CZ 3.42Å; I199-F302 VanDerWaalsContact CG2-CZ 3.42Å; L275-F302 HydrophobicContact CD2-CD1 4.03Å; V278-F302 HydrophobicContact CB-CD1 4.15Å; V278-F302 HydrophobicContact CB-CE1 4.38Å; V278-F302 HydrophobicContact CB-CG 4.44Å; V278-F302 HydrophobicContact CG1-CB 4.36Å; V278-F302 HydrophobicContact CG1-CD1 3.6Å; V278-F302 HydrophobicContact CG1-CD2 3.7Å; V278-F302 HydrophobicContact CG1-CE1 3.69Å; V278-F302 HydrophobicContact CG1-CE2 3.83Å; V278-F302 HydrophobicContact CG1-CG 3.61Å; V278-F302 HydrophobicContact CG1-CZ 3.83Å; V278-F302 HydrophobicContact CG2-CD1 4.48Å; V278-F302 HydrophobicContact CG2-CE1 4.33Å; L279-F302 HydrophobicContact CD2-CB 3.85Å; L279-F302 HydrophobicContact CG-CB 4.29Å; L282-F302 HydrophobicContact CD1-CD2 3.48Å; L282-F302 VanDerWaalsContact CD1-CD2 3.48Å; L282-F302 HydrophobicContact CD1-CE2 3.54Å; L282-F302 HydrophobicContact CD1-CG 4.48Å; L298-F302 HydrophobicContact CD1-CE2 3.82Å; L298-F302 HydrophobicContact CG-CE2 3.96Å; L298-F302 WeakPolarHBondContact O-CD2 3.39Å; Q299-F302 PolarHBondContact O-N 2.98Å; F302-S304 VanDerWaalsContact C-N 3.34Å; F302-A305 PolarHBondContact O-N 2.8Å; F302-L306 WeakPolarHBondContact O-CB 3.48Å; F302-L306 PolarHBondContact O-N 2.88Å
303	L	96.3	Very high	95.7	Very high	37 Å²	37	47 Å²	47	19%	0.194	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-43.3	171.4	-75.7	172	0	0	0	111.1	L279 Q299 D300 L306 R307 L325	L279-L303 HydrophobicContact CD1-CD2 4.04Å; L279-L303 HydrophobicContact CD2-CD2 3.75Å; L279-L303 HydrophobicContact CD2-CG 3.68Å; Q299-L303 HydrophobicContact CG-CD1 4.04Å; Q299-L303 HydrophobicContact CG-CG 4.25Å; Q299-L303 PolarHBondContact O-N 2.87Å; D300-L303 PolarHBondContact O-N 3.39Å; L303-L306 PolarHBondContact O-N 3.22Å; L303-R307 WeakPolarHBondContact O-CB 3.37Å; L303-R307 PolarHBondContact O-N 3.47Å; L303-L325 HydrophobicContact CD2-CD1 3.86Å; L303-L325 HydrophobicContact CD2-CD2 3.84Å; L303-L325 HydrophobicContact CD2-CG 4.5Å
304	S	94.7	Very high	95.6	Very high	31 Å²	31	44.1 Å²	44.1	22%	0.217	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-44.2	174.7	-171.5	0	0	0	0	111.4	D300 V301 F302 L306 R307 N308	D300-S304 VanDerWaalsContact O-CB 3.29Å; D300-S304 WeakPolarHBondContact O-CB 3.46Å; D300-S304 PolarHBondContact O-N 3.38Å; V301-S304 PolarHBondContact O-N 2.83Å; F302-S304 VanDerWaalsContact C-N 3.34Å; S304-L306 PolarHBondContact O-N 3.21Å; S304-R307 PolarHBondContact O-N 2.85Å; S304-R307 PolarHBondContact OG-NH2 2.78Å; S304-N308 WeakPolarHBondContact O-CB 3.35Å; S304-N308 PolarHBondContact O-N 3.13Å; S304-N308 PolarHBondContact O-ND2 3.47Å; S304-N308 PolarHBondContact O-OD1 3.22Å
305	A	95.9	Very high	95.3	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-46.2	177	0	0	0	0	0	111.8	F151 I152 L275 V301 F302 N308 Y309	F151-A305 HydrophobicContact CD1-CB 4.44Å; F151-A305 HydrophobicContact CE1-CB 4.09Å; I152-A305 HydrophobicContact CD1-CB 4.09Å; I152-A305 HydrophobicContact CG1-CB 4.16Å; L275-A305 HydrophobicContact CD2-CB 4.03Å; V301-A305 WeakPolarHBondContact O-CB 3.12Å; V301-A305 PolarHBondContact O-N 3.46Å; F302-A305 PolarHBondContact O-N 2.8Å; A305-N308 PolarHBondContact O-N 3.25Å; A305-Y309 WeakPolarHBondContact O-CB 3.5Å; A305-Y309 PolarHBondContact O-N 2.78Å
306	L	96.9	Very high	95	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-47.3	176.6	-179.8	65.1	0	0	0	112	E272 L275 L279 F302 L303 S304 N308 Y309 N310 W321 I324 L325	E272-L306 HydrophobicContact CG-CD1 4.36Å; L275-L306 HydrophobicContact CB-CD1 4.25Å; L275-L306 HydrophobicContact CD1-CB 4.12Å; L275-L306 HydrophobicContact CD1-CD1 4.02Å; L279-L306 HydrophobicContact CD1-CD2 3.77Å; F302-L306 WeakPolarHBondContact O-CB 3.48Å; F302-L306 PolarHBondContact O-N 2.88Å; L303-L306 PolarHBondContact O-N 3.22Å; S304-L306 PolarHBondContact O-N 3.21Å; L306-N308 PolarHBondContact O-N 2.96Å; L306-Y309 PolarHBondContact O-N 3.12Å; L306-N310 WeakPolarHBondContact O-CB 3.49Å; L306-N310 PolarHBondContact O-N 3.23Å; L306-W321 HydrophobicContact CD2-CB 4.16Å; L306-W321 HydrophobicContact CG-CB 3.94Å; L306-I324 HydrophobicContact CD1-CD1 4.09Å; L306-I324 HydrophobicContact CD2-CG2 4.44Å; L306-L325 HydrophobicContact CD2-CD2 4.36Å
307	R	95.5	Very high	94.8	Very high	65 Å²	65	47.9 Å²	47.9	25%	0.245	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-49.5	177.4	179.9	-175.8	71	-111.5	-14.1	111.3	L303 S304 N310 A311 W321	L303-R307 WeakPolarHBondContact O-CB 3.37Å; L303-R307 PolarHBondContact O-N 3.47Å; S304-R307 PolarHBondContact O-N 2.85Å; S304-R307 PolarHBondContact OG-NH2 2.78Å; R307-N310 PolarHBondContact O-N 2.97Å; R307-A311 WeakPolarHBondContact O-CB 3.49Å; R307-A311 PolarHBondContact O-N 2.89Å; R307-W321 HydrophobicContact CB-CD2 4.22Å; R307-W321 HydrophobicContact CB-CG 4.24Å; R307-W321 HydrophobicContact CG-CD2 4.39Å; R307-W321 HydrophobicContact CG-CG 4.43Å; R307-W321 HydrophobicContact CG-CZ2 4.42Å
308	N	94.7	Very high	94.4	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.043	24%	0.241	C	C	.	.	H	α-helix	trans	-68.7	-39.6	-176	-66.4	-8.1	0	0	0	111.2	G142 L144 E148 S304 A305 L306 A311 E312	G142-N308 WeakPolarHBondContact CA-OD1 3.32Å; L144-N308 HydrophobicContact CB-CB 4.49Å; L144-N308 HydrophobicContact CD1-CB 3.87Å; E148-N308 PolarHBondContact OE1-ND2 2.88Å; S304-N308 WeakPolarHBondContact O-CB 3.35Å; S304-N308 PolarHBondContact O-N 3.13Å; S304-N308 PolarHBondContact O-ND2 3.47Å; S304-N308 PolarHBondContact O-OD1 3.22Å; A305-N308 PolarHBondContact O-N 3.25Å; L306-N308 PolarHBondContact O-N 2.96Å; N308-A311 PolarHBondContact O-N 3.41Å; N308-E312 PolarHBondContact O-N 3.31Å; N308-E312 VanDerWaalsContact O-N 3.13Å
309	Y	96.6	Very high	94.2	Very high	25 Å²	25	45.8 Å²	45.8	10%	0.098	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-47.5	173.8	-180	-100.9	0	0	0	111.9	L144 I152 D269 C271 E272 A305 L306 A311 E312 T313 Y314	L144-Y309 HydrophobicContact CD2-CD2 4.27Å; I152-Y309 HydrophobicContact CD1-CD2 4.1Å; I152-Y309 HydrophobicContact CD1-CG 4.2Å; I152-Y309 HydrophobicContact CG2-CD2 4.33Å; D269-Y309 VanDerWaalsContact OD2-CE1 3.24Å; D269-Y309 WeakPolarHBondContact OD2-CE1 3.35Å; D269-Y309 VanDerWaalsContact OD2-CZ 3.31Å; D269-Y309 PolarHBondContact OD2-OH 2.87Å; C271-Y309 HydrophobicContact CB-CD1 4.35Å; C271-Y309 HydrophobicContact CB-CE1 3.72Å; C271-Y309 HydrophobicContact CB-CE2 3.9Å; C271-Y309 VanDerWaalsContact CB-CZ 3.46Å; E272-Y309 HydrophobicContact CG-CD1 4.18Å; E272-Y309 HydrophobicContact CG-CE1 3.95Å; A305-Y309 WeakPolarHBondContact O-CB 3.5Å; A305-Y309 PolarHBondContact O-N 2.78Å; L306-Y309 PolarHBondContact O-N 3.12Å; Y309-A311 VanDerWaalsContact C-N 3.34Å; Y309-A311 PolarHBondContact O-N 3.11Å; Y309-E312 PolarHBondContact O-N 2.77Å; Y309-T313 HydrophobicContact CE1-CG2 4.42Å; Y309-T313 WeakPolarHBondContact CE2-OG1 3.5Å; Y309-T313 WeakPolarHBondContact O-CB 3.33Å; Y309-T313 PolarHBondContact O-N 3.18Å; Y309-T313 PolarHBondContact O-OG1 3.18Å; Y309-T313 VanDerWaalsContact O-OG1 3.13Å; Y309-Y314 HydrophobicContact CE1-CE2 4.35Å
310	N	95.5	Very high	94.1	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-37.7	177.1	-86.3	-158.3	0	0	0	113	E272 L306 R307 E312 Y314 R320 W321	E272-N310 PolarHBondContact OE1-ND2 2.65Å; L306-N310 WeakPolarHBondContact O-CB 3.49Å; L306-N310 PolarHBondContact O-N 3.23Å; R307-N310 PolarHBondContact O-N 2.97Å; N310-E312 VanDerWaalsContact C-N 3.3Å; N310-E312 PolarHBondContact O-N 3.39Å; N310-Y314 CarbonylContact O-C 3.16Å; N310-Y314 VanDerWaalsContact O-C 3.26Å; N310-Y314 WeakPolarHBondContact O-CA 3.28Å; N310-Y314 PolarHBondContact O-N 3.48Å; N310-R320 WeakPolarHBondContact OD1-CB 3.44Å; N310-R320 WeakPolarHBondContact OD1-CG 3.4Å; N310-W321 HydrophobicContact CB-CB 4.21Å; N310-W321 VanDerWaalsContact OD1-CA 3.24Å; N310-W321 WeakPolarHBondContact OD1-CA 3.45Å; N310-W321 WeakPolarHBondContact OD1-CB 3.27Å; N310-W321 PolarHBondContact OD1-N 3.36Å
311	A	92.9	Very high	94	Very high	19 Å²	19	43 Å²	43	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-36.2	176.6	0	0	0	0	0	112.4	C140 R307 N308 Y309	C140-A311 HydrophobicContact CB-CB 4.18Å; R307-A311 WeakPolarHBondContact O-CB 3.49Å; R307-A311 PolarHBondContact O-N 2.89Å; N308-A311 PolarHBondContact O-N 3.41Å; Y309-A311 VanDerWaalsContact C-N 3.34Å; Y309-A311 PolarHBondContact O-N 3.11Å
312	E	92.4	Very high	94	Very high	103 Å²	103	41 Å²	41	48%	0.481	22%	0.224	S	C	.	.	H	α-helix	trans	-79.4	-49.5	178.6	-178	68.8	-171.8	0	0	112.4	L144 R149 N308 Y309 N310	L144-E312 HydrophobicContact CB-CB 4.2Å; L144-E312 HydrophobicContact CB-CG 4.44Å; R149-E312 IonicContact NH2-OE1 3.39Å; N308-E312 PolarHBondContact O-N 3.31Å; N308-E312 VanDerWaalsContact O-N 3.13Å; Y309-E312 PolarHBondContact O-N 2.77Å; N310-E312 VanDerWaalsContact C-N 3.3Å; N310-E312 PolarHBondContact O-N 3.39Å
313	T	94.2	Very high	94	Very high	57 Å²	57	45.7 Å²	45.7	35%	0.35	24%	0.244	S	C	.	.	H	α-helix	trans	-80.1	-34.6	-173	-54.5	0	0	0	0	112.4	Y309 P315	Y309-T313 HydrophobicContact CE1-CG2 4.42Å; Y309-T313 WeakPolarHBondContact CE2-OG1 3.5Å; Y309-T313 WeakPolarHBondContact O-CB 3.33Å; Y309-T313 PolarHBondContact O-N 3.18Å; Y309-T313 PolarHBondContact O-OG1 3.18Å; Y309-T313 VanDerWaalsContact O-OG1 3.13Å; T313-P315 VanDerWaalsContact C-CD 3.41Å; T313-P315 WeakPolarHBondContact O-CD 3.18Å
314	Y	93.5	Very high	94	Very high	51 Å²	51	44 Å²	44	20%	0.2	24%	0.235	C	C	.	.			trans	-127.1	59.3	-176.2	-54	-80.2	0	0	0	112	D269 E272 Y309 N310 S316 E317 R320	D269-Y314 PolarHBondContact OD2-OH 3.33Å; D269-Y314 VanDerWaalsContact OD2-OH 3.07Å; E272-Y314 WeakPolarHBondContact OE1-CE2 3.43Å; Y309-Y314 HydrophobicContact CE1-CE2 4.35Å; N310-Y314 CarbonylContact O-C 3.16Å; N310-Y314 VanDerWaalsContact O-C 3.26Å; N310-Y314 WeakPolarHBondContact O-CA 3.28Å; N310-Y314 PolarHBondContact O-N 3.48Å; Y314-S316 PolarHBondContact O-N 3.44Å; Y314-S316 VanDerWaalsContact O-N 3.07Å; Y314-E317 PolarHBondContact O-N 3.12Å; Y314-R320 VanDerWaalsContact CD2-CD 3.43Å; Y314-R320 VanDerWaalsContact CG-CD 3.49Å
315	P	88.9	Confident	94.1	Very high	86 Å²	86	44.9 Å²	44.9	56%	0.558	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.9	-172.1	25.5	-35.5	0	0	0	114.1	T313	T313-P315 VanDerWaalsContact C-CD 3.41Å; T313-P315 WeakPolarHBondContact O-CD 3.18Å
316	S	90.5	Very high	94.2	Very high	107 Å²	107	49.7 Å²	49.7	75%	0.748	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-21.7	174	53.9	0	0	0	0	113.1	Y314 V318	Y314-S316 PolarHBondContact O-N 3.44Å; Y314-S316 VanDerWaalsContact O-N 3.07Å; S316-V318 PolarHBondContact O-N 3.26Å
317	E	92	Very high	94.1	Very high	80 Å²	80	52.6 Å²	52.6	37%	0.374	27%	0.273	S	S	.	.			trans	-103.1	62.4	-176.8	-59.7	-175.4	-143.9	0	0	111.3	Y314 V319 R320	Y314-E317 PolarHBondContact O-N 3.12Å; E317-V319 PolarHBondContact O-N 2.9Å; E317-R320 HydrophobicContact CB-CB 3.88Å; E317-R320 VanDerWaalsContact O-CB 3.23Å; E317-R320 WeakPolarHBondContact O-CB 3.12Å; E317-R320 PolarHBondContact O-N 2.9Å; E317-R320 IonicContact OE1-NH1 3.54Å; E317-R320 IonicContact OE2-CZ 3.38Å; E317-R320 IonicContact OE2-NH1 2.87Å; E317-R320 PolarHBondContact OE2-NH1 3.28Å
318	V	88.8	Confident	94.1	Very high	25 Å²	25	50.3 Å²	50.3	15%	0.152	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-16.2	-175.4	-51.7	0	0	0	0	115.8	R136 C140 S316	R136-V318 HydrophobicContact CB-CG2 4.39Å; R136-V318 HydrophobicContact CG-CG2 3.85Å; C140-V318 WeakPolarHBondContact SG-CB 3.44Å; C140-V318 WeakPolarHBondContact SG-CG1 3.37Å; S316-V318 PolarHBondContact O-N 3.26Å
319	V	92	Very high	94.1	Very high	62 Å²	62	52.8 Å²	52.8	38%	0.376	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	25.8	177.2	-66.4	0	0	0	0	111.9	L139 E317 P322 K323	L139-V319 HydrophobicContact CD1-CG1 3.99Å; E317-V319 PolarHBondContact O-N 2.9Å; V319-P322 WeakPolarHBondContact O-CD 3.5Å; V319-K323 WeakPolarHBondContact O-CD 3.44Å; V319-K323 WeakPolarHBondContact O-CG 3.45Å; V319-K323 PolarHBondContact O-N 3.18Å
320	R	94.7	Very high	94	Very high	17 Å²	17	55.4 Å²	55.4	6%	0.064	30%	0.3	C	S	.	.	H	α-helix	trans	-68.2	-54.4	176.3	-170	172.2	176.2	78.2	8	111.8	L266 S267 E272 N310 Y314 E317 K323 I324	L266-R320 PolarHBondContact O-NH1 3.17Å; L266-R320 VanDerWaalsContact O-NH1 3.15Å; L266-R320 PolarHBondContact O-NH2 2.89Å; S267-R320 PolarHBondContact O-NH2 3.38Å; S267-R320 VanDerWaalsContact O-NH2 3.09Å; E272-R320 WeakPolarHBondContact OE1-CD 3.22Å; E272-R320 IonicContact OE1-CZ 3.16Å; E272-R320 IonicContact OE1-NE 2.59Å; E272-R320 PolarHBondContact OE1-NE 3.42Å; E272-R320 IonicContact OE1-NH2 3.81Å; E272-R320 IonicContact OE2-CZ 2.86Å; E272-R320 IonicContact OE2-NE 3.84Å; E272-R320 PolarHBondContact OE2-NE 3.21Å; E272-R320 IonicContact OE2-NH2 3.04Å; E272-R320 PolarHBondContact OE2-NH2 3.48Å; N310-R320 WeakPolarHBondContact OD1-CB 3.44Å; N310-R320 WeakPolarHBondContact OD1-CG 3.4Å; Y314-R320 VanDerWaalsContact CD2-CD 3.43Å; Y314-R320 VanDerWaalsContact CG-CD 3.49Å; E317-R320 HydrophobicContact CB-CB 3.88Å; E317-R320 VanDerWaalsContact O-CB 3.23Å; E317-R320 WeakPolarHBondContact O-CB 3.12Å; E317-R320 PolarHBondContact O-N 2.9Å; E317-R320 IonicContact OE1-NH1 3.54Å; E317-R320 IonicContact OE2-CZ 3.38Å; E317-R320 IonicContact OE2-NH1 2.87Å; E317-R320 PolarHBondContact OE2-NH1 3.28Å; R320-K323 WeakPolarHBondContact O-CA 3.44Å; R320-K323 WeakPolarHBondContact O-CB 3.48Å; R320-K323 PolarHBondContact O-N 3.08Å; R320-I324 PolarHBondContact O-N 3.21Å; R320-I324 VanDerWaalsContact O-N 3.1Å
321	W	95.4	Very high	93.8	Very high	51 Å²	51	55.3 Å²	55.3	19%	0.193	30%	0.299	C	S	.	.	H	α-helix	trans	-59.6	-40.3	-179.4	73.9	-91.8	0	0	0	113.5	L139 L306 R307 N310 K323 I324 L325	L139-W321 HydrophobicContact CD2-CZ2 4.06Å; L139-W321 PolarHBondContact O-NE1 3Å; L306-W321 HydrophobicContact CD2-CB 4.16Å; L306-W321 HydrophobicContact CG-CB 3.94Å; R307-W321 HydrophobicContact CB-CD2 4.22Å; R307-W321 HydrophobicContact CB-CG 4.24Å; R307-W321 HydrophobicContact CG-CD2 4.39Å; R307-W321 HydrophobicContact CG-CG 4.43Å; R307-W321 HydrophobicContact CG-CZ2 4.42Å; N310-W321 HydrophobicContact CB-CB 4.21Å; N310-W321 VanDerWaalsContact OD1-CA 3.24Å; N310-W321 WeakPolarHBondContact OD1-CA 3.45Å; N310-W321 WeakPolarHBondContact OD1-CB 3.27Å; N310-W321 PolarHBondContact OD1-N 3.36Å; W321-K323 VanDerWaalsContact C-N 3.31Å; W321-K323 PolarHBondContact O-N 3.18Å; W321-I324 WeakPolarHBondContact O-CB 3.28Å; W321-I324 PolarHBondContact O-N 3.01Å; W321-L325 HydrophobicContact CE3-CD1 3.62Å; W321-L325 HydrophobicContact CE3-CG 4.29Å; W321-L325 HydrophobicContact CZ3-CD1 3.47Å; W321-L325 VanDerWaalsContact CZ3-CD1 3.47Å; W321-L325 WeakPolarHBondContact O-CG 3.36Å; W321-L325 PolarHBondContact O-N 3.37Å; W321-L325 VanDerWaalsContact O-N 3.13Å
322	P	95.8	Very high	93.7	Very high	33 Å²	33	56 Å²	56	21%	0.214	30%	0.3	C	S	.	.	H	α-helix	trans	-66.8	-31.9	174.7	-20.2	36.3	0	0	0	112.4	V319 I324 L325 L326	V319-P322 WeakPolarHBondContact O-CD 3.5Å; P322-I324 VanDerWaalsContact C-N 3.32Å; P322-L325 PolarHBondContact O-N 2.95Å; P322-L326 WeakPolarHBondContact O-CG 3.49Å; P322-L326 PolarHBondContact O-N 2.84Å
323	K	96.3	Very high	93.6	Very high	98 Å²	98	54.5 Å²	54.5	43%	0.426	30%	0.3	S	S	.	.	H	α-helix	trans	-65.2	-37.2	174.4	-75.9	171.5	177.9	-176.6	0	111.8	L266 V319 R320 W321 L326 R327	L266-K323 HydrophobicContact CD2-CB 4.27Å; V319-K323 WeakPolarHBondContact O-CD 3.44Å; V319-K323 WeakPolarHBondContact O-CG 3.45Å; V319-K323 PolarHBondContact O-N 3.18Å; R320-K323 WeakPolarHBondContact O-CA 3.44Å; R320-K323 WeakPolarHBondContact O-CB 3.48Å; R320-K323 PolarHBondContact O-N 3.08Å; W321-K323 VanDerWaalsContact C-N 3.31Å; W321-K323 PolarHBondContact O-N 3.18Å; K323-L326 PolarHBondContact O-N 3.5Å; K323-R327 PolarHBondContact O-N 2.52Å
324	I	97.7	Very high	93.2	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-51.5	173.9	-61.6	172.7	0	0	0	109.1	L266 L268 E272 A276 L306 R320 W321 P322 L326 R327 L328	L266-I324 HydrophobicContact CD1-CG1 4.16Å; L268-I324 HydrophobicContact CD2-CD1 3.81Å; L268-I324 HydrophobicContact CD2-CG1 3.77Å; E272-I324 HydrophobicContact CB-CD1 4.26Å; E272-I324 HydrophobicContact CG-CD1 4.15Å; A276-I324 HydrophobicContact CB-CG2 4.3Å; L306-I324 HydrophobicContact CD1-CD1 4.09Å; L306-I324 HydrophobicContact CD2-CG2 4.44Å; R320-I324 PolarHBondContact O-N 3.21Å; R320-I324 VanDerWaalsContact O-N 3.1Å; W321-I324 WeakPolarHBondContact O-CB 3.28Å; W321-I324 PolarHBondContact O-N 3.01Å; P322-I324 VanDerWaalsContact C-N 3.32Å; I324-L326 VanDerWaalsContact C-N 3.28Å; I324-L326 PolarHBondContact O-N 3.48Å; I324-R327 WeakPolarHBondContact O-CB 3.22Å; I324-R327 PolarHBondContact O-N 3.21Å; I324-L328 WeakPolarHBondContact O-CG 3.31Å; I324-L328 PolarHBondContact O-N 3.29Å
325	L	97	Very high	92.8	Very high	49 Å²	49	50.3 Å²	50.3	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-58.8	-37.3	178.3	-61.2	-175.6	0	0	0	113.1	L279 L303 L306 W321 P322 R327 L328 A329	L279-L325 HydrophobicContact CD1-CD2 4.06Å; L303-L325 HydrophobicContact CD2-CD1 3.86Å; L303-L325 HydrophobicContact CD2-CD2 3.84Å; L303-L325 HydrophobicContact CD2-CG 4.5Å; L306-L325 HydrophobicContact CD2-CD2 4.36Å; W321-L325 HydrophobicContact CE3-CD1 3.62Å; W321-L325 HydrophobicContact CE3-CG 4.29Å; W321-L325 HydrophobicContact CZ3-CD1 3.47Å; W321-L325 VanDerWaalsContact CZ3-CD1 3.47Å; W321-L325 WeakPolarHBondContact O-CG 3.36Å; W321-L325 PolarHBondContact O-N 3.37Å; W321-L325 VanDerWaalsContact O-N 3.13Å; P322-L325 PolarHBondContact O-N 2.95Å; L325-R327 VanDerWaalsContact C-N 3.32Å; L325-R327 PolarHBondContact O-N 3.43Å; L325-L328 HydrophobicContact CD2-CD1 4.29Å; L325-L328 PolarHBondContact O-N 3.06Å; L325-A329 PolarHBondContact O-N 3.42Å
326	L	96.6	Very high	92.5	Very high	103 Å²	103	49.1 Å²	49.1	54%	0.539	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-38.7	174.5	-73.4	171.5	0	0	0	112.3	P322 K323 I324 A329 E330	P322-L326 WeakPolarHBondContact O-CG 3.49Å; P322-L326 PolarHBondContact O-N 2.84Å; K323-L326 PolarHBondContact O-N 3.5Å; I324-L326 VanDerWaalsContact C-N 3.28Å; I324-L326 PolarHBondContact O-N 3.48Å; L326-A329 PolarHBondContact O-N 3.4Å; L326-E330 WeakPolarHBondContact O-CG 3.29Å; L326-E330 PolarHBondContact O-N 2.94Å; L326-E330 VanDerWaalsContact O-N 3.13Å
327	R	95.9	Very high	92	Very high	61 Å²	61	47.9 Å²	47.9	23%	0.23	26%	0.263	C	S	.	.	H	α-helix	trans	-69	-37.8	174	-61.5	-55.8	109.6	-166.2	-11.2	111.4	F259 S262 I263 L266 K323 I324 L325 A329 E330 L331	F259-R327 HydrophobicContact CE2-CB 4.27Å; F259-R327 WeakPolarHBondContact CE2-O 3.48Å; S262-R327 WeakPolarHBondContact OG-CD 3.3Å; I263-R327 HydrophobicContact CD1-CB 3.57Å; I263-R327 HydrophobicContact CD1-CG 3.94Å; L266-R327 HydrophobicContact CD1-CG 3.58Å; L266-R327 HydrophobicContact CG-CG 4.39Å; K323-R327 PolarHBondContact O-N 2.52Å; I324-R327 WeakPolarHBondContact O-CB 3.22Å; I324-R327 PolarHBondContact O-N 3.21Å; L325-R327 VanDerWaalsContact C-N 3.32Å; L325-R327 PolarHBondContact O-N 3.43Å; R327-A329 VanDerWaalsContact C-N 3.31Å; R327-A329 PolarHBondContact O-N 2.97Å; R327-E330 IonicContact CZ-OE1 3.03Å; R327-E330 IonicContact CZ-OE2 2.77Å; R327-E330 IonicContact NE-OE1 2.59Å; R327-E330 IonicContact NE-OE2 3.61Å; R327-E330 IonicContact NH1-OE1 2.77Å; R327-E330 PolarHBondContact NH1-OE1 3.21Å; R327-E330 IonicContact NH1-OE2 3.92Å; R327-E330 PolarHBondContact NH1-OE2 3.24Å; R327-E330 IonicContact NH2-OE1 2.73Å; R327-E330 PolarHBondContact NH2-OE1 3.14Å; R327-E330 IonicContact NH2-OE2 2.76Å; R327-E330 WeakPolarHBondContact O-CB 3.1Å; R327-E330 PolarHBondContact O-N 3.34Å; R327-L331 PolarHBondContact O-N 3.26Å
328	L	95.7	Very high	91.1	Very high	18 Å²	18	45.1 Å²	45.1	9%	0.094	25%	0.25	C	S	.	.	H	α-helix	trans	-63.4	-37.8	176	-59.5	-171.1	0	0	0	112.1	F224 A276 L279 I280 I324 L325 L331 H332	F224-L328 HydrophobicContact CD2-CD2 4.24Å; F224-L328 HydrophobicContact CE2-CD2 4.13Å; A276-L328 HydrophobicContact CB-CD1 4.24Å; A276-L328 HydrophobicContact CB-CD2 4.3Å; L279-L328 HydrophobicContact CB-CD1 4.13Å; I280-L328 HydrophobicContact CD1-CD2 3.86Å; I280-L328 HydrophobicContact CG1-CD1 4.27Å; I280-L328 HydrophobicContact CG1-CD2 3.86Å; I324-L328 WeakPolarHBondContact O-CG 3.31Å; I324-L328 PolarHBondContact O-N 3.29Å; L325-L328 HydrophobicContact CD2-CD1 4.29Å; L325-L328 PolarHBondContact O-N 3.06Å; L328-L331 WeakPolarHBondContact O-CB 3.28Å; L328-L331 PolarHBondContact O-N 3.33Å; L328-H332 PolarHBondContact O-N 3.44Å
329	A	94.5	Very high	90.2	Very high	59 Å²	59	50.1 Å²	50.1	49%	0.488	27%	0.267	S	S	.	.	H	α-helix	trans	-65.6	-39.1	173.7	0	0	0	0	0	112.4	L325 L326 R327 H332 S333	L325-A329 PolarHBondContact O-N 3.42Å; L326-A329 PolarHBondContact O-N 3.4Å; R327-A329 VanDerWaalsContact C-N 3.31Å; R327-A329 PolarHBondContact O-N 2.97Å; A329-H332 WeakPolarHBondContact O-CB 3.37Å; A329-H332 PolarHBondContact O-N 2.93Å; A329-S333 PolarHBondContact O-N 2.83Å
330	E	93.4	Very high	88.9	Confident	81 Å²	81	51.9 Å²	51.9	38%	0.379	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-42.8	173.2	-74	174.4	-173.9	0	0	112	L326 R327 H332 S333 L334	L326-E330 WeakPolarHBondContact O-CG 3.29Å; L326-E330 PolarHBondContact O-N 2.94Å; L326-E330 VanDerWaalsContact O-N 3.13Å; R327-E330 IonicContact CZ-OE1 3.03Å; R327-E330 IonicContact CZ-OE2 2.77Å; R327-E330 IonicContact NE-OE1 2.59Å; R327-E330 IonicContact NE-OE2 3.61Å; R327-E330 IonicContact NH1-OE1 2.77Å; R327-E330 PolarHBondContact NH1-OE1 3.21Å; R327-E330 IonicContact NH1-OE2 3.92Å; R327-E330 PolarHBondContact NH1-OE2 3.24Å; R327-E330 IonicContact NH2-OE1 2.73Å; R327-E330 PolarHBondContact NH2-OE1 3.14Å; R327-E330 IonicContact NH2-OE2 2.76Å; R327-E330 WeakPolarHBondContact O-CB 3.1Å; R327-E330 PolarHBondContact O-N 3.34Å; E330-H332 VanDerWaalsContact C-N 3.3Å; E330-H332 PolarHBondContact O-N 2.68Å; E330-S333 WeakPolarHBondContact O-CB 3.45Å; E330-S333 PolarHBondContact O-N 3.45Å; E330-L334 WeakPolarHBondContact O-CB 3.12Å; E330-L334 PolarHBondContact O-N 2.98Å
331	L	92.4	Very high	87.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-44.2	173.7	174.6	60.9	0	0	0	111.6	L223 F224 F259 I280 R327 L328 L334 C335	L223-L331 HydrophobicContact CB-CD1 3.8Å; L223-L331 HydrophobicContact CD1-CD1 4.11Å; F224-L331 HydrophobicContact CB-CD2 3.82Å; F224-L331 HydrophobicContact CD2-CD2 4.35Å; F259-L331 HydrophobicContact CD1-CD1 4.17Å; F259-L331 HydrophobicContact CD2-CB 4.37Å; F259-L331 HydrophobicContact CE1-CB 4.26Å; F259-L331 HydrophobicContact CE1-CD1 3.78Å; F259-L331 HydrophobicContact CE1-CD2 4.33Å; F259-L331 HydrophobicContact CE1-CG 4.34Å; F259-L331 HydrophobicContact CE2-CB 3.71Å; F259-L331 HydrophobicContact CZ-CB 3.64Å; F259-L331 HydrophobicContact CZ-CD1 4.06Å; F259-L331 HydrophobicContact CZ-CD2 4.06Å; F259-L331 HydrophobicContact CZ-CG 4.13Å; I280-L331 HydrophobicContact CD1-CD2 3.77Å; I280-L331 HydrophobicContact CG1-CD2 4.39Å; R327-L331 PolarHBondContact O-N 3.26Å; L328-L331 WeakPolarHBondContact O-CB 3.28Å; L328-L331 PolarHBondContact O-N 3.33Å; L331-L334 WeakPolarHBondContact O-CB 3.4Å; L331-L334 PolarHBondContact O-N 3.4Å; L331-C335 PolarHBondContact O-N 3.09Å; L331-C335 PolarHBondContact O-SG 2.79Å
332	H	90.9	Very high	85.5	Confident	35 Å²	35	54 Å²	54	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-60.8	-46.1	177.2	-175.1	66.8	0	0	0	111.6	E220 L328 A329 E330 L334 C335 C336	E220-H332 IonicContact OE1-CE1 3.99Å; E220-H332 IonicContact OE1-ND1 2.76Å; E220-H332 PolarHBondContact OE1-ND1 3.23Å; E220-H332 IonicContact OE2-CG 2.95Å; E220-H332 IonicContact OE2-ND1 3.66Å; E220-H332 PolarHBondContact OE2-ND1 2.81Å; L328-H332 PolarHBondContact O-N 3.44Å; A329-H332 WeakPolarHBondContact O-CB 3.37Å; A329-H332 PolarHBondContact O-N 2.93Å; E330-H332 VanDerWaalsContact C-N 3.3Å; E330-H332 PolarHBondContact O-N 2.68Å; H332-L334 PolarHBondContact O-N 3.42Å; H332-C335 PolarHBondContact O-N 3.1Å; H332-C336 PolarHBondContact O-N 3.35Å; H332-C336 PolarHBondContact O-SG 2.91Å; H332-C336 VanDerWaalsContact O-SG 3.4Å
333	S	89.6	Confident	83.6	Confident	70 Å²	70	53.9 Å²	53.9	49%	0.49	30%	0.297	S	S	.	.	H	α-helix	trans	-60.6	-42.4	176.1	-174	0	0	0	0	112.7	A329 E330 C336 S337	A329-S333 PolarHBondContact O-N 2.83Å; E330-S333 WeakPolarHBondContact O-CB 3.45Å; E330-S333 PolarHBondContact O-N 3.45Å; S333-C336 PolarHBondContact O-N 3.46Å; S333-S337 WeakPolarHBondContact O-CB 3.14Å; S333-S337 PolarHBondContact O-N 3.35Å; S333-S337 PolarHBondContact O-OG 3.5Å
334	L	86.7	Confident	81.6	Confident	20 Å²	20	52.3 Å²	52.3	11%	0.105	30%	0.295	C	S	.	.	H	α-helix	trans	-59.6	-48.1	176	179.1	65.8	0	0	0	110.9	L223 V256 F259 E330 L331 H332 C336 S337 H338	L223-L334 HydrophobicContact CD1-CD2 4.24Å; V256-L334 HydrophobicContact CG2-CD2 4.03Å; F259-L334 HydrophobicContact CB-CD2 4.08Å; F259-L334 HydrophobicContact CG-CD2 4.48Å; E330-L334 WeakPolarHBondContact O-CB 3.12Å; E330-L334 PolarHBondContact O-N 2.98Å; L331-L334 WeakPolarHBondContact O-CB 3.4Å; L331-L334 PolarHBondContact O-N 3.4Å; H332-L334 PolarHBondContact O-N 3.42Å; L334-C336 VanDerWaalsContact C-N 3.33Å; L334-C336 PolarHBondContact O-N 2.93Å; L334-S337 PolarHBondContact O-N 3.48Å; L334-H338 PolarHBondContact O-CD2 3.46Å; L334-H338 PolarHBondContact O-N 3.11Å
335	C	84.2	Confident	79.5	Confident	1 Å²	1	59 Å²	59	1%	0.007	33%	0.331	C	S	.	.	H	α-helix	trans	-66	-35.1	179.9	-66.3	0	0	0	0	112.7	F219 E220 L331 H332 Y339	F219-C335 HydrophobicContact CD1-CB 4.03Å; F219-C335 VanDerWaalsContact CD1-SG 3.58Å; F219-C335 HydrophobicContact CE1-CB 4.22Å; F219-C335 VanDerWaalsContact CE1-SG 3.53Å; E220-C335 HydrophobicContact CG-CB 3.52Å; E220-C335 WeakPolarHBondContact CG-SG 3.45Å; L331-C335 PolarHBondContact O-N 3.09Å; L331-C335 PolarHBondContact O-SG 2.79Å; H332-C335 PolarHBondContact O-N 3.1Å; C335-Y339 WeakPolarHBondContact O-CA 3.32Å; C335-Y339 WeakPolarHBondContact O-CB 3.34Å; C335-Y339 PolarHBondContact O-N 2.78Å
336	C	82.8	Confident	77.5	Confident	60 Å²	60	60.3 Å²	60.3	41%	0.405	34%	0.335	S	S	.	.	H	α-helix	trans	-67.7	-40.1	174.6	-74.6	0	0	0	0	112.2	H332 S333 L334 H338 Y339	H332-C336 PolarHBondContact O-N 3.35Å; H332-C336 PolarHBondContact O-SG 2.91Å; H332-C336 VanDerWaalsContact O-SG 3.4Å; S333-C336 PolarHBondContact O-N 3.46Å; L334-C336 VanDerWaalsContact C-N 3.33Å; L334-C336 PolarHBondContact O-N 2.93Å; C336-H338 VanDerWaalsContact C-N 3.3Å; C336-H338 PolarHBondContact O-N 3.5Å; C336-Y339 PolarHBondContact O-N 2.74Å
337	S	79.2	Confident	75.8	Confident	82 Å²	82	57.1 Å²	57.1	57%	0.573	32%	0.317	S	S	*	.	H	α-helix	trans	-67	-30.4	-179.3	-58.7	0	0	0	0	113.1	S333 L334	S333-S337 WeakPolarHBondContact O-CB 3.14Å; S333-S337 PolarHBondContact O-N 3.35Å; S333-S337 PolarHBondContact O-OG 3.5Å; L334-S337 PolarHBondContact O-N 3.48Å
338	H	73.5	Confident	74.2	Confident	22 Å²	22	57.6 Å²	57.6	10%	0.102	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	15	-178.7	-63.4	-79.4	0	0	0	113.5	L252 L334 C336 S340 E341 F342	L252-H338 HydrophobicContact CD1-CB 3.8Å; L252-H338 VanDerWaalsContact CD1-CG 3.49Å; L334-H338 PolarHBondContact O-CD2 3.46Å; L334-H338 PolarHBondContact O-N 3.11Å; C336-H338 VanDerWaalsContact C-N 3.3Å; C336-H338 PolarHBondContact O-N 3.5Å; H338-S340 PolarHBondContact O-N 3.27Å; H338-S340 VanDerWaalsContact O-N 3.13Å; H338-E341 IonicContact CE1-OE1 2.7Å; H338-E341 IonicContact CG-OE1 3.66Å; H338-E341 IonicContact ND1-OE1 3.43Å; H338-E341 PolarHBondContact ND1-OE1 3.44Å; H338-E341 IonicContact ND1-OE2 3.98Å; H338-E341 PolarHBondContact ND1-OE2 3.21Å; H338-E341 WeakPolarHBondContact O-CB 3.5Å; H338-E341 PolarHBondContact O-N 3.01Å; H338-F342 HydrophobicContact CB-CD2 3.71Å; H338-F342 HydrophobicContact CB-CE2 3.51Å; H338-F342 WeakPolarHBondContact O-CD2 3Å; H338-F342 PolarHBondContact O-N 2.78Å
339	Y	69.2	Low	72.7	Confident	129 Å²	129	59.1 Å²	59.1	51%	0.506	34%	0.339	S	S	.	.	H	α-helix	trans	-54.7	-39.2	-174.4	-177.6	-94.4	0	0	0	112.7	C335 C336 E341 F342 A343	C335-Y339 WeakPolarHBondContact O-CA 3.32Å; C335-Y339 WeakPolarHBondContact O-CB 3.34Å; C335-Y339 PolarHBondContact O-N 2.78Å; C336-Y339 PolarHBondContact O-N 2.74Å; Y339-E341 VanDerWaalsContact C-N 3.34Å; Y339-E341 PolarHBondContact O-N 2.92Å; Y339-F342 PolarHBondContact O-N 3.34Å; Y339-A343 HydrophobicContact CD1-CB 3.93Å; Y339-A343 HydrophobicContact CE1-CB 3.5Å; Y339-A343 VanDerWaalsContact CE1-CB 3.5Å; Y339-A343 HydrophobicContact CE2-CB 4.19Å; Y339-A343 HydrophobicContact CG-CB 4.44Å; Y339-A343 WeakPolarHBondContact O-CB 3.21Å; Y339-A343 PolarHBondContact O-N 2.61Å
340	S	65.5	Low	71.2	Confident	100 Å²	100	56.4 Å²	56.4	70%	0.699	32%	0.316	S	S	*	.	H	α-helix	trans	-67.1	-31.6	178.3	52.8	0	0	0	0	113.8	H338 F342	H338-S340 PolarHBondContact O-N 3.27Å; H338-S340 VanDerWaalsContact O-N 3.13Å; S340-F342 VanDerWaalsContact C-N 3.27Å
341	E	60.9	Low	70	Confident	64 Å²	64	53 Å²	53	30%	0.299	30%	0.3	S	S	.	.	H	α-helix	trans	-72.2	-27.1	176.4	-63.8	169	-143.9	0	0	110.9	L252 H338 Y339	L252-E341 WeakPolarHBondContact CB-OE2 3.42Å; L252-E341 WeakPolarHBondContact CD2-OE2 3.16Å; H338-E341 IonicContact CE1-OE1 2.7Å; H338-E341 IonicContact CG-OE1 3.66Å; H338-E341 IonicContact ND1-OE1 3.43Å; H338-E341 PolarHBondContact ND1-OE1 3.44Å; H338-E341 IonicContact ND1-OE2 3.98Å; H338-E341 PolarHBondContact ND1-OE2 3.21Å; H338-E341 WeakPolarHBondContact O-CB 3.5Å; H338-E341 PolarHBondContact O-N 3.01Å; Y339-E341 VanDerWaalsContact C-N 3.34Å; Y339-E341 PolarHBondContact O-N 2.92Å
342	F	57.1	Low	68.7	Low	47 Å²	47	60.5 Å²	60.5	21%	0.206	33%	0.332	C	S	.	.	H	α-helix	trans	-99.5	-35.6	-175.3	-71.1	-61.3	0	0	0	115.1	F219 L252 H338 Y339 S340 T344	F219-F342 HydrophobicContact CD1-CB 4.45Å; F219-F342 HydrophobicContact CD1-CD2 4.11Å; F219-F342 HydrophobicContact CD1-CG 4.23Å; F219-F342 HydrophobicContact CD2-CB 4.2Å; F219-F342 AromaticContact CD2-CD1 3.97Å; F219-F342 HydrophobicContact CD2-CD1 3.97Å; F219-F342 HydrophobicContact CD2-CE1 4.48Å; F219-F342 HydrophobicContact CD2-CG 4.05Å; F219-F342 HydrophobicContact CE1-CB 4.4Å; F219-F342 HydrophobicContact CE1-CD1 4.13Å; F219-F342 AromaticContact CE1-CD2 3.36Å; F219-F342 HydrophobicContact CE1-CD2 3.36Å; F219-F342 HydrophobicContact CE1-CE1 4.2Å; F219-F342 AromaticContact CE1-CE2 3.41Å; F219-F342 HydrophobicContact CE1-CE2 3.41Å; F219-F342 VanDerWaalsContact CE1-CE2 3.41Å; F219-F342 AromaticContact CE1-CG 3.72Å; F219-F342 HydrophobicContact CE1-CG 3.72Å; F219-F342 AromaticContact CE1-CZ 3.83Å; F219-F342 HydrophobicContact CE1-CZ 3.83Å; F219-F342 HydrophobicContact CE2-CB 4.18Å; F219-F342 AromaticContact CE2-CD1 3.18Å; F219-F342 HydrophobicContact CE2-CD1 3.18Å; F219-F342 HydrophobicContact CE2-CD2 4.02Å; F219-F342 AromaticContact CE2-CE1 3.33Å; F219-F342 HydrophobicContact CE2-CE1 3.33Å; F219-F342 HydrophobicContact CE2-CE2 4.12Å; F219-F342 AromaticContact CE2-CG 3.54Å; F219-F342 HydrophobicContact CE2-CG 3.54Å; F219-F342 AromaticContact CE2-CZ 3.78Å; F219-F342 HydrophobicContact CE2-CZ 3.78Å; F219-F342 HydrophobicContact CG-CB 4.37Å; F219-F342 HydrophobicContact CG-CG 4.39Å; F219-F342 HydrophobicContact CZ-CB 4.31Å; F219-F342 AromaticContact CZ-CD1 3.31Å; F219-F342 HydrophobicContact CZ-CD1 3.31Å; F219-F342 AromaticContact CZ-CD2 3.35Å; F219-F342 HydrophobicContact CZ-CD2 3.35Å; F219-F342 AromaticContact CZ-CE1 3.17Å; F219-F342 HydrophobicContact CZ-CE1 3.17Å; F219-F342 AromaticContact CZ-CE2 3.18Å; F219-F342 HydrophobicContact CZ-CE2 3.18Å; F219-F342 AromaticContact CZ-CG 3.39Å; F219-F342 HydrophobicContact CZ-CG 3.39Å; F219-F342 AromaticContact CZ-CZ 3.06Å; F219-F342 HydrophobicContact CZ-CZ 3.06Å; L252-F342 HydrophobicContact CD1-CE2 3.33Å; L252-F342 HydrophobicContact CD1-CZ 3.33Å; L252-F342 HydrophobicContact CD2-CD2 4.48Å; L252-F342 HydrophobicContact CD2-CE1 3.59Å; L252-F342 HydrophobicContact CD2-CE2 3.53Å; L252-F342 HydrophobicContact CD2-CZ 3Å; L252-F342 HydrophobicContact CG-CE2 4Å; L252-F342 HydrophobicContact CG-CZ 3.6Å; H338-F342 HydrophobicContact CB-CD2 3.71Å; H338-F342 HydrophobicContact CB-CE2 3.51Å; H338-F342 WeakPolarHBondContact O-CD2 3Å; H338-F342 PolarHBondContact O-N 2.78Å; Y339-F342 PolarHBondContact O-N 3.34Å; S340-F342 VanDerWaalsContact C-N 3.27Å; F342-T344 PolarHBondContact O-N 3.29Å; F342-T344 PolarHBondContact O-OG1 3.31Å
343	A	56.3	Low	67.4	Low	32 Å²	32	64.6 Å²	64.6	26%	0.264	35%	0.352	S	S	.	.			trans	-75.6	46.5	177.8	0	0	0	0	0	111.6	Y339	Y339-A343 HydrophobicContact CD1-CB 3.93Å; Y339-A343 HydrophobicContact CE1-CB 3.5Å; Y339-A343 VanDerWaalsContact CE1-CB 3.5Å; Y339-A343 HydrophobicContact CE2-CB 4.19Å; Y339-A343 HydrophobicContact CG-CB 4.44Å; Y339-A343 WeakPolarHBondContact O-CB 3.21Å; Y339-A343 PolarHBondContact O-N 2.61Å
344	T	54	Low	65.8	Low	64 Å²	64	61.3 Å²	61.3	39%	0.393	33%	0.328	S	S	.	.			trans	-63.1	148.9	171.9	53.8	0	0	0	0	109.7	F342 F346 F347 L348	F342-T344 PolarHBondContact O-N 3.29Å; F342-T344 PolarHBondContact O-OG1 3.31Å; T344-F346 PolarHBondContact O-N 3.25Å; T344-F347 PolarHBondContact O-N 2.77Å; T344-L348 PolarHBondContact O-N 3.4Å
345	D	53.9	Low	64.6	Low	142 Å²	142	61.1 Å²	61.1	76%	0.759	33%	0.328	S	S	*	.	H	α-helix	trans	-50.4	-28.6	173.5	-72.7	-31.6	0	0	0	112.1	L348 A349	D345-L348 PolarHBondContact O-N 3.29Å; D345-A349 VanDerWaalsContact O-CB 3.31Å; D345-A349 WeakPolarHBondContact O-CB 3.48Å; D345-A349 PolarHBondContact O-N 2.97Å
346	F	54.5	Low	63.4	Low	76 Å²	76	67.3 Å²	67.3	33%	0.333	36%	0.361	S	S	.	.	H	α-helix	trans	-59.6	-45.1	175.3	176.4	-100.3	0	0	0	114.1	K181 V185 T344 A349 S350	K181-F346 VanDerWaalsContact C-CZ 3.46Å; K181-F346 HydrophobicContact CB-CE2 4.1Å; K181-F346 HydrophobicContact CB-CZ 3.65Å; V185-F346 HydrophobicContact CB-CE1 4.25Å; V185-F346 HydrophobicContact CG2-CE1 3.63Å; V185-F346 HydrophobicContact CG2-CZ 4.13Å; T344-F346 PolarHBondContact O-N 3.25Å; F346-A349 PolarHBondContact O-N 3.39Å; F346-S350 PolarHBondContact O-N 3.45Å; F346-S350 PolarHBondContact O-OG 3.43Å
347	F	61.2	Low	62	Low	37 Å²	37	69 Å²	69	16%	0.162	37%	0.372	C	S	.	.	H	α-helix	trans	-69.9	-40.2	177.9	-162.7	-91.7	0	0	0	111.1	V185 C218 T344 A349 S350 W351	V185-F347 HydrophobicContact CG1-CD2 3.94Å; V185-F347 HydrophobicContact CG1-CE2 4.15Å; C218-F347 HydrophobicContact CB-CE1 4.03Å; C218-F347 HydrophobicContact CB-CZ 3.76Å; C218-F347 WeakPolarHBondContact SG-CZ 3.38Å; T344-F347 PolarHBondContact O-N 2.77Å; F347-A349 VanDerWaalsContact C-N 3.35Å; F347-A349 PolarHBondContact O-N 3.33Å; F347-S350 PolarHBondContact O-N 3.01Å; F347-W351 HydrophobicContact CE1-CE3 4.01Å; F347-W351 HydrophobicContact CE1-CZ3 4.3Å; F347-W351 WeakPolarHBondContact O-CB 3.02Å; F347-W351 PolarHBondContact O-N 2.96Å
348	L	63.9	Low	60.7	Low	70 Å²	70	68.9 Å²	68.9	37%	0.366	36%	0.363	S	S	.	.	H	α-helix	trans	-65.6	-35.4	176.4	-66.8	175	0	0	0	112.5	T344 D345 W351	T344-L348 PolarHBondContact O-N 3.4Å; D345-L348 PolarHBondContact O-N 3.29Å; L348-W351 WeakPolarHBondContact O-CB 3.36Å
349	A	62.7	Low	60.1	Low	51 Å²	51	71.2 Å²	71.2	42%	0.421	38%	0.377	S	S	.	.	H	α-helix	trans	-67.5	-48.4	174.6	0	0	0	0	0	111.3	D345 F346 F347 W351 K352 H353	D345-A349 VanDerWaalsContact O-CB 3.31Å; D345-A349 WeakPolarHBondContact O-CB 3.48Å; D345-A349 PolarHBondContact O-N 2.97Å; F346-A349 PolarHBondContact O-N 3.39Å; F347-A349 VanDerWaalsContact C-N 3.35Å; F347-A349 PolarHBondContact O-N 3.33Å; A349-W351 PolarHBondContact O-N 3.15Å; A349-K352 PolarHBondContact O-N 3.12Å; A349-H353 PolarHBondContact O-CD2 3.42Å
350	S	63.2	Low	59.6	Low	1 Å²	1	68.2 Å²	68.2	1%	0.007	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-32.6	176.8	-56.7	0	0	0	0	112.2	F346 F347 K352 H353 G354	F346-S350 PolarHBondContact O-N 3.45Å; F346-S350 PolarHBondContact O-OG 3.43Å; F347-S350 PolarHBondContact O-N 3.01Å; S350-K352 VanDerWaalsContact C-N 3.32Å; S350-K352 PolarHBondContact O-N 3.45Å; S350-H353 PolarHBondContact O-N 2.72Å; S350-G354 PolarHBondContact O-N 2.79Å
351	W	67.6	Low	59.3	Low	10 Å²	10	66.4 Å²	66.4	4%	0.038	35%	0.351	C	S	.	.	H	α-helix	trans	-57.2	-41.7	176.3	-163.9	-94	0	0	0	113.2	I189 M192 F211 L214 K215 C218 F347 L348 A349 H353 G354 T355	I189-W351 HydrophobicContact CD1-CE3 3.85Å; I189-W351 HydrophobicContact CD1-CZ3 4.37Å; I189-W351 HydrophobicContact CG1-CE3 4.14Å; I189-W351 HydrophobicContact CG1-CZ3 4.16Å; I189-W351 HydrophobicContact CG2-CE3 4.11Å; I189-W351 HydrophobicContact CG2-CZ3 3.98Å; M192-W351 HydrophobicContact CE-CH2 3.58Å; M192-W351 HydrophobicContact CE-CZ3 3.89Å; F211-W351 AromaticContact CE2-CD1 3.93Å; F211-W351 AromaticContact CE2-NE1 3.23Å; F211-W351 AromaticContact CZ-CD1 3.92Å; F211-W351 AromaticContact CZ-NE1 3.39Å; L214-W351 HydrophobicContact CB-CH2 3.83Å; L214-W351 HydrophobicContact CB-CZ2 3.9Å; L214-W351 WeakPolarHBondContact O-CH2 3.41Å; K215-W351 VanDerWaalsContact CA-CH2 3.42Å; K215-W351 HydrophobicContact CB-CH2 4.22Å; K215-W351 HydrophobicContact CB-CZ2 3.58Å; K215-W351 HydrophobicContact CG-CD2 4.5Å; K215-W351 HydrophobicContact CG-CZ2 4.29Å; K215-W351 VanDerWaalsContact N-CZ2 3.25Å; C218-W351 HydrophobicContact CB-CH2 4.01Å; C218-W351 HydrophobicContact CB-CZ3 3.53Å; F347-W351 HydrophobicContact CE1-CE3 4.01Å; F347-W351 HydrophobicContact CE1-CZ3 4.3Å; F347-W351 WeakPolarHBondContact O-CB 3.02Å; F347-W351 PolarHBondContact O-N 2.96Å; L348-W351 WeakPolarHBondContact O-CB 3.36Å; A349-W351 PolarHBondContact O-N 3.15Å; W351-H353 PolarHBondContact O-N 3.26Å; W351-G354 PolarHBondContact O-N 3.24Å; W351-T355 HydrophobicContact CD2-CG2 4.11Å; W351-T355 HydrophobicContact CG-CG2 4.36Å; W351-T355 HydrophobicContact CH2-CG2 4.48Å; W351-T355 HydrophobicContact CZ2-CG2 3.79Å; W351-T355 WeakPolarHBondContact O-CG2 3.38Å; W351-T355 PolarHBondContact O-N 3.26Å; W351-T355 PolarHBondContact O-OG1 2.8Å
352	K	66.9	Low	59.2	Low	157 Å²	157	66.5 Å²	66.5	68%	0.683	36%	0.355	S	S	*	.	H	α-helix	trans	-61.4	-33.9	179.5	-69.5	-176.8	178.9	176.9	0	112.2	A349 S350	A349-K352 PolarHBondContact O-N 3.12Å; S350-K352 VanDerWaalsContact C-N 3.32Å; S350-K352 PolarHBondContact O-N 3.45Å
353	H	63.2	Low	59.4	Low	122 Å²	122	67.8 Å²	67.8	57%	0.565	36%	0.364	S	S	*	.	H	α-helix	trans	-87.6	-28.2	-178.8	-62.2	-63.1	0	0	0	113.3	T186 A349 S350 W351	T186-H353 HydrophobicContact CG2-CB 4.13Å; A349-H353 PolarHBondContact O-CD2 3.42Å; S350-H353 PolarHBondContact O-N 2.72Å; W351-H353 PolarHBondContact O-N 3.26Å
354	G	56.5	Low	59.6	Low	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-80.2	-16.7	-179.3	0	0	0	0	0	114.7	S350 W351	S350-G354 PolarHBondContact O-N 2.79Å; W351-G354 PolarHBondContact O-N 3.24Å
355	T	59.8	Low	60	Low	16 Å²	16	70.6 Å²	70.6	10%	0.098	37%	0.369	C	S	.	.			trans	-107.1	1.3	-170.3	53.3	0	0	0	0	115.8	I189 V193 W351 P357 I358	I189-T355 HydrophobicContact CG2-CG2 4.3Å; V193-T355 HydrophobicContact CG2-CG2 4.4Å; W351-T355 HydrophobicContact CD2-CG2 4.11Å; W351-T355 HydrophobicContact CG-CG2 4.36Å; W351-T355 HydrophobicContact CH2-CG2 4.48Å; W351-T355 HydrophobicContact CZ2-CG2 3.79Å; W351-T355 WeakPolarHBondContact O-CG2 3.38Å; W351-T355 PolarHBondContact O-N 3.26Å; W351-T355 PolarHBondContact O-OG1 2.8Å; T355-P357 WeakPolarHBondContact O-CD 3.33Å; T355-I358 HydrophobicContact CG2-CD1 4.03Å; T355-I358 PolarHBondContact O-N 3.45Å
356	D	59.3	Low	60.4	Low	131 Å²	131	65.1 Å²	65.1	70%	0.701	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	-26.4	172.4	-74.3	-18.6	0	0	0	115.7
357	P	54.4	Low	60.9	Low	97 Å²	97	64.2 Å²	64.2	63%	0.63	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-5.3	175.8	-14.6	30.3	0	0	0	116.8	T355	T355-P357 WeakPolarHBondContact O-CD 3.33Å
358	I	52.3	Low	60.9	Low	78 Å²	78	66.6 Å²	66.6	40%	0.4	36%	0.355	S	S	.	.			trans	-87	0	174.4	-53	175.8	0	0	0	107.9	V193 L214 T355	V193-I358 HydrophobicContact CG1-CD1 4.35Å; V193-I358 HydrophobicContact CG1-CG1 3.93Å; V193-I358 HydrophobicContact CG2-CD1 4.35Å; L214-I358 HydrophobicContact CD1-CD1 3.59Å; T355-I358 HydrophobicContact CG2-CD1 4.03Å; T355-I358 PolarHBondContact O-N 3.45Å

Retrieved 358 of 358 residues in 206.6 ms (Link to these results)

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