A0A3Q0KCN7_SCHMA Loading...

Putative atpase n2b AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KCN7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 448 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	33.2	Very low	236 Å²	236	115.7 Å²	115.7	100%	1.163	57%	0.565	S	S	*	*				0	-24.2	0	-83.2	-171.4	168.2	0	0	114.5
2	L	28.6	Very low	32.9	Very low	134 Å²	134	115.4 Å²	115.4	70%	0.702	56%	0.559	S	S	*	*			trans	-70.2	-29.9	179.8	-76.6	150.9	0	0	0	114.5	K4 R5 Y6	L2-K4 PolarHBondContact O-N 2.97Å; L2-R5 PolarHBondContact O-N 3.41Å; L2-Y6 HydrophobicContact CD2-CE2 4.24Å; L2-Y6 WeakPolarHBondContact O-CD2 3.33Å
3	S	38.4	Very low	33	Very low	100 Å²	100	108.2 Å²	108.2	70%	0.699	53%	0.53	S	S	*	.	H	α-helix	trans	-60.9	-36.7	-176.3	155.5	0	0	0	0	114.9	T7	S3-T7 PolarHBondContact O-OG1 3.31Å
4	K	34.1	Very low	33.1	Very low	174 Å²	174	103.9 Å²	103.9	76%	0.757	51%	0.509	S	S	*	.	H	α-helix	trans	-75.6	-23.9	-177.1	-89	-174.7	175.4	-178.2	0	114.6	L2 I8	L2-K4 PolarHBondContact O-N 2.97Å; K4-I8 WeakPolarHBondContact O-CG1 3.47Å
5	R	31.4	Very low	33.5	Very low	202 Å²	202	99.3 Å²	99.3	76%	0.762	49%	0.486	S	S	*	.	H	α-helix	trans	-77.8	-27	-179.8	-93.6	-173.8	176.3	-179.6	-0.7	112.8	L2 I8	L2-R5 PolarHBondContact O-N 3.41Å; R5-I8 WeakPolarHBondContact O-CB 3.31Å
6	Y	34.6	Very low	33.4	Very low	139 Å²	139	102.8 Å²	102.8	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-86.9	-31.2	-174.5	-75.4	-83.7	0	0	0	113.9	L2 I8 N9 Y288	L2-Y6 HydrophobicContact CD2-CE2 4.24Å; L2-Y6 WeakPolarHBondContact O-CD2 3.33Å; Y6-I8 PolarHBondContact O-N 3.27Å; Y6-I8 VanDerWaalsContact O-N 3.09Å; Y6-N9 PolarHBondContact O-N 3.28Å; Y6-Y288 WeakPolarHBondContact O-CE1 3.38Å
7	T	32.9	Very low	33.5	Very low	66 Å²	66	99.1 Å²	99.1	41%	0.405	49%	0.485	S	S	.	.	H	α-helix	trans	-55.9	-27.8	171.7	-33.5	0	0	0	0	112.1	S3 N9	S3-T7 PolarHBondContact O-OG1 3.31Å; T7-N9 VanDerWaalsContact C-N 3.31Å; T7-N9 PolarHBondContact O-N 3.15Å
8	I	35.6	Very low	33.9	Very low	71 Å²	71	95.8 Å²	95.8	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-62.2	-35.2	178.9	-59.5	174.2	0	0	0	111.8	K4 R5 Y6 F12	K4-I8 WeakPolarHBondContact O-CG1 3.47Å; R5-I8 WeakPolarHBondContact O-CB 3.31Å; Y6-I8 PolarHBondContact O-N 3.27Å; Y6-I8 VanDerWaalsContact O-N 3.09Å; I8-F12 HydrophobicContact CG2-CD2 4.11Å; I8-F12 HydrophobicContact CG2-CE2 4.45Å; I8-F12 WeakPolarHBondContact O-CB 3.47Å; I8-F12 PolarHBondContact O-N 3.43Å
9	N	31.4	Very low	34.2	Very low	100 Å²	100	94.7 Å²	94.7	54%	0.535	46%	0.46	S	S	.	.	H	α-helix	trans	-81.9	-29.7	-170.3	-79.3	-15.6	0	0	0	114.5	Y6 T7 F12 A13	Y6-N9 PolarHBondContact O-N 3.28Å; T7-N9 VanDerWaalsContact C-N 3.31Å; T7-N9 PolarHBondContact O-N 3.15Å; N9-F12 WeakPolarHBondContact O-CB 3.29Å; N9-F12 PolarHBondContact O-N 2.99Å; N9-A13 PolarHBondContact O-N 3.16Å
10	V	36.7	Very low	34.5	Very low	18 Å²	18	93.6 Å²	93.6	11%	0.109	46%	0.455	C	S	.	.	H	α-helix	trans	-74.3	-45.2	179.2	179.8	0	0	0	0	110.3	F12 A13 I14 Y288 A317	V10-F12 PolarHBondContact O-N 3.3Å; V10-A13 PolarHBondContact O-N 2.88Å; V10-I14 WeakPolarHBondContact O-CG1 3.3Å; V10-I14 PolarHBondContact O-N 2.96Å; V10-Y288 HydrophobicContact CB-CE1 4.34Å; V10-Y288 VanDerWaalsContact CB-OH 3.27Å; V10-Y288 WeakPolarHBondContact CB-OH 3.44Å; V10-Y288 HydrophobicContact CG2-CD1 4.36Å; V10-Y288 HydrophobicContact CG2-CE1 3.49Å; V10-Y288 VanDerWaalsContact CG2-CE1 3.49Å; V10-Y288 HydrophobicContact CG2-CE2 4.13Å; V10-Y288 VanDerWaalsContact CG2-OH 3.3Å; V10-Y288 WeakPolarHBondContact CG2-OH 3.48Å; V10-A317 HydrophobicContact CB-CB 4.49Å; V10-A317 HydrophobicContact CG1-CB 3.65Å
11	L	32.8	Very low	34.4	Very low	33 Å²	33	91.8 Å²	91.8	17%	0.173	45%	0.451	C	S	.	.	H	α-helix	trans	-58.7	-37.8	172.5	-102.9	136.1	0	0	0	111.3	A13 I14 Q15 Y122	L11-A13 PolarHBondContact O-N 3.46Å; L11-A13 VanDerWaalsContact O-N 3.15Å; L11-I14 PolarHBondContact O-N 2.89Å; L11-Q15 WeakPolarHBondContact O-CB 3.49Å; L11-Q15 WeakPolarHBondContact O-CG 3.34Å; L11-Q15 PolarHBondContact O-N 2.98Å; L11-Q15 VanDerWaalsContact O-N 3.1Å; L11-Y122 HydrophobicContact CB-CE1 4.21Å; L11-Y122 HydrophobicContact CD1-CD2 3.91Å; L11-Y122 HydrophobicContact CD1-CE2 3.61Å; L11-Y122 HydrophobicContact CD2-CD1 3.97Å; L11-Y122 HydrophobicContact CD2-CD2 3.92Å; L11-Y122 HydrophobicContact CD2-CE1 4.29Å; L11-Y122 HydrophobicContact CD2-CE2 4.27Å; L11-Y122 HydrophobicContact CD2-CG 3.76Å; L11-Y122 HydrophobicContact CG-CD2 4.47Å; L11-Y122 HydrophobicContact CG-CE2 4.36Å
12	F	29.3	Very low	34.9	Very low	112 Å²	112	83.2 Å²	83.2	49%	0.491	41%	0.409	S	S	.	.	H	α-helix	trans	-58	-27.3	175	-119.7	-84.8	0	0	0	114.6	I8 N9 V10 Q15	I8-F12 HydrophobicContact CG2-CD2 4.11Å; I8-F12 HydrophobicContact CG2-CE2 4.45Å; I8-F12 WeakPolarHBondContact O-CB 3.47Å; I8-F12 PolarHBondContact O-N 3.43Å; N9-F12 WeakPolarHBondContact O-CB 3.29Å; N9-F12 PolarHBondContact O-N 2.99Å; V10-F12 PolarHBondContact O-N 3.3Å; F12-Q15 WeakPolarHBondContact O-CB 3.45Å; F12-Q15 PolarHBondContact O-N 3.15Å
13	A	34.1	Very low	35.1	Very low	22 Å²	22	84.8 Å²	84.8	18%	0.182	41%	0.406	C	S	.	.	H	α-helix	trans	-96.2	-19.6	-177.3	0	0	0	0	0	113.8	N9 V10 L11	N9-A13 PolarHBondContact O-N 3.16Å; V10-A13 PolarHBondContact O-N 2.88Å; L11-A13 PolarHBondContact O-N 3.46Å; L11-A13 VanDerWaalsContact O-N 3.15Å
14	I	34.5	Very low	34.9	Very low	48 Å²	48	88.4 Å²	88.4	25%	0.246	41%	0.412	C	S	.	.	H	α-helix	trans	-66.3	-25.5	157.7	-48.6	-168.3	0	0	0	109.2	V10 L11 Y18 M320	V10-I14 WeakPolarHBondContact O-CG1 3.3Å; V10-I14 PolarHBondContact O-N 2.96Å; L11-I14 PolarHBondContact O-N 2.89Å; I14-Y18 HydrophobicContact CB-CE2 4.43Å; I14-Y18 HydrophobicContact CG2-CE2 3.77Å; I14-Y18 WeakPolarHBondContact O-CD2 3.4Å; I14-Y18 WeakPolarHBondContact O-CE2 3.31Å; I14-M320 HydrophobicContact CB-CE 4.32Å; I14-M320 HydrophobicContact CD1-CE 4.01Å; I14-M320 HydrophobicContact CG1-CE 3.64Å; I14-M320 HydrophobicContact CG1-CG 3.9Å; I14-M320 HydrophobicContact CG1-SD 4.15Å; I14-M320 HydrophobicContact CG2-CE 4.29Å
15	Q	38.9	Very low	34.9	Very low	35 Å²	35	85.7 Å²	85.7	16%	0.164	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-16.1	-166.7	-80.3	164.2	11.5	0	0	117	L11 F12	L11-Q15 WeakPolarHBondContact O-CB 3.49Å; L11-Q15 WeakPolarHBondContact O-CG 3.34Å; L11-Q15 PolarHBondContact O-N 2.98Å; L11-Q15 VanDerWaalsContact O-N 3.1Å; F12-Q15 WeakPolarHBondContact O-CB 3.45Å; F12-Q15 PolarHBondContact O-N 3.15Å
16	K	32.4	Very low	35.4	Very low	154 Å²	154	76.9 Å²	76.9	67%	0.67	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-23.7	-176.9	-87.5	-171.2	172.8	-173.5	0	115.3	G448	K16-G448 CarbonylContact C-O 3.54Å
17	S	34.7	Very low	36	Very low	40 Å²	40	78.5 Å²	78.5	28%	0.28	39%	0.386	S	S	.	.	S	Bend	trans	-98.4	8.2	-156.9	-51.1	0	0	0	0	116.8	G448	S17-G448 WeakPolarHBondContact CA-O 3.36Å; S17-G448 WeakPolarHBondContact CB-O 3.48Å; S17-G448 PolarHBondContact OG-O 3.13Å
18	Y	40.9	Very low	37	Very low	40 Å²	40	79.4 Å²	79.4	16%	0.157	41%	0.408	C	S	.	.			trans	-119.3	46.2	-169.5	-52.8	-54.3	0	0	0	114.6	I14 M320 D357 T358	I14-Y18 HydrophobicContact CB-CE2 4.43Å; I14-Y18 HydrophobicContact CG2-CE2 3.77Å; I14-Y18 WeakPolarHBondContact O-CD2 3.4Å; I14-Y18 WeakPolarHBondContact O-CE2 3.31Å; Y18-M320 WeakPolarHBondContact OH-CE 3.42Å; Y18-M320 PolarHBondContact OH-SD 3.42Å; Y18-M320 VanDerWaalsContact OH-SD 3.42Å; Y18-D357 VanDerWaalsContact CD1-C 3.5Å; Y18-D357 HydrophobicContact CD1-CB 4.16Å; Y18-D357 WeakPolarHBondContact CD1-O 3.3Å; Y18-D357 HydrophobicContact CE1-CB 3.79Å; Y18-D357 WeakPolarHBondContact CE1-O 3.43Å; Y18-D357 HydrophobicContact CE2-CB 4.47Å; Y18-T358 HydrophobicContact CE1-CG2 3.82Å; Y18-T358 WeakPolarHBondContact OH-CG2 3.49Å
19	F	40.2	Very low	38.7	Very low	75 Å²	75	80.3 Å²	80.3	33%	0.329	41%	0.407	S	S	.	.			trans	-124.1	108.6	166.8	-170.6	-105.5	0	0	0	108.1	P21 Y104 E105	F19-P21 HydrophobicContact CD1-CB 4.09Å; F19-P21 HydrophobicContact CD1-CG 4.31Å; F19-P21 HydrophobicContact CE1-CB 4.08Å; F19-P21 WeakPolarHBondContact O-CD 2.99Å; F19-Y104 AromaticContact CE2-CD1 3.6Å; F19-Y104 HydrophobicContact CE2-CD1 3.6Å; F19-Y104 AromaticContact CE2-CE1 3.59Å; F19-Y104 HydrophobicContact CE2-CE1 3.59Å; F19-Y104 AromaticContact CZ-CD1 3.84Å; F19-Y104 HydrophobicContact CZ-CD1 3.84Å; F19-Y104 AromaticContact CZ-CE1 3.75Å; F19-Y104 HydrophobicContact CZ-CE1 3.75Å; F19-E105 HydrophobicContact CZ-CG 4.18Å
20	I	39.7	Very low	41.3	Very low	73 Å²	73	78.4 Å²	78.4	37%	0.374	40%	0.399	S	S	.	.			trans	-66.6	110	162.6	-58.5	173.5	0	0	0	105.1	L22	I20-L22 HydrophobicContact CG2-CD2 4.11Å; I20-L22 HydrophobicContact CG2-CG 4.09Å; I20-L22 PolarHBondContact O-N 3.19Å; I20-L22 VanDerWaalsContact O-N 3.13Å
21	P	32.5	Very low	43.7	Very low	56 Å²	56	77.6 Å²	77.6	36%	0.364	39%	0.394	S	S	.	.			trans	-80.6	100.7	173.5	3.6	17.2	0	0	0	105.8	F19 R23 K446	F19-P21 HydrophobicContact CD1-CB 4.09Å; F19-P21 HydrophobicContact CD1-CG 4.31Å; F19-P21 HydrophobicContact CE1-CB 4.08Å; F19-P21 WeakPolarHBondContact O-CD 2.99Å; P21-R23 HydrophobicContact CB-CB 4.41Å; P21-K446 PolarHBondContact O-NZ 3.28Å
22	L	38.9	Very low	46.3	Very low	56 Å²	56	77.3 Å²	77.3	29%	0.293	40%	0.395	S	S	.	.			trans	-85.3	6.6	156.8	-44.6	156.7	0	0	0	110.4	I20 Q24 Y25 E105	I20-L22 HydrophobicContact CG2-CD2 4.11Å; I20-L22 HydrophobicContact CG2-CG 4.09Å; I20-L22 PolarHBondContact O-N 3.19Å; I20-L22 VanDerWaalsContact O-N 3.13Å; L22-Q24 PolarHBondContact O-N 3.12Å; L22-Y25 PolarHBondContact O-N 2.58Å; L22-E105 VanDerWaalsContact CA-OE1 3.26Å; L22-E105 WeakPolarHBondContact CA-OE1 3.32Å; L22-E105 WeakPolarHBondContact CB-OE1 3.16Å; L22-E105 VanDerWaalsContact CB-OE2 3.29Å; L22-E105 WeakPolarHBondContact CB-OE2 3.43Å; L22-E105 WeakPolarHBondContact CD1-OE2 3.29Å; L22-E105 WeakPolarHBondContact CG-OE1 3.42Å; L22-E105 PolarHBondContact N-OE1 3.49Å
23	R	33	Very low	49	Very low	166 Å²	166	74 Å²	74	63%	0.626	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-46.5	-28.2	178.9	-148.7	-179.5	-169.3	-175.5	3	114.6	P21 Y25 A26	P21-R23 HydrophobicContact CB-CB 4.41Å; R23-Y25 PolarHBondContact O-N 3.23Å; R23-A26 PolarHBondContact O-N 3.1Å
24	Q	34.4	Very low	51.6	Low	176 Å²	176	73.1 Å²	73.1	82%	0.822	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-62.6	-9.9	177.6	-80.2	-173.7	-5.7	0	0	114.2	L22	L22-Q24 PolarHBondContact O-N 3.12Å
25	Y	35	Very low	54.1	Low	118 Å²	118	70.9 Å²	70.9	46%	0.463	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-117.8	0.1	-175.8	-61.2	-70.3	0	0	0	115	L22 R23 R29	L22-Y25 PolarHBondContact O-N 2.58Å; R23-Y25 PolarHBondContact O-N 3.23Å; Y25-R29 WeakPolarHBondContact O-CD 3.26Å; Y25-R29 PolarHBondContact O-NE 3.04Å; Y25-R29 PolarHBondContact O-NH1 3.41Å; Y25-R29 PolarHBondContact O-NH2 2.76Å; Y25-R29 VanDerWaalsContact O-NH2 3.13Å
26	A	42.1	Very low	56.4	Low	17 Å²	17	71.4 Å²	71.4	14%	0.14	37%	0.374	C	S	.	.			trans	-90.2	-7.1	-164.1	0	0	0	0	0	116.4	R23 G28 R29	R23-A26 PolarHBondContact O-N 3.1Å; A26-G28 PolarHBondContact O-N 3.28Å; A26-R29 PolarHBondContact O-N 3.18Å
27	D	46.8	Very low	58.9	Low	173 Å²	173	66.6 Å²	66.6	93%	0.925	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	108.3	-173.4	-127	-0.1	0	0	0	111.1
28	G	54	Low	61.2	Low	84 Å²	84	65.5 Å²	65.5	87%	0.866	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	8.2	-177.4	0	0	0	0	0	117	A26	A26-G28 PolarHBondContact O-N 3.28Å
29	R	70.8	Confident	63.2	Low	90 Å²	90	65.6 Å²	65.6	34%	0.34	35%	0.346	S	S	.	.			trans	-97.8	133.4	-174.7	-63.4	-164.9	-155.4	165.9	19	112.8	Y25 A26 S33 I34 C106	Y25-R29 WeakPolarHBondContact O-CD 3.26Å; Y25-R29 PolarHBondContact O-NE 3.04Å; Y25-R29 PolarHBondContact O-NH1 3.41Å; Y25-R29 PolarHBondContact O-NH2 2.76Å; Y25-R29 VanDerWaalsContact O-NH2 3.13Å; A26-R29 PolarHBondContact O-N 3.18Å; R29-S33 WeakPolarHBondContact CB-OG 3.48Å; R29-I34 HydrophobicContact CB-CG1 4.26Å; R29-C106 PolarHBondContact O-SG 2.65Å
30	T	85.4	Confident	65.2	Low	61 Å²	61	70.8 Å²	70.8	37%	0.374	37%	0.369	S	S	.	.			trans	-79.9	158.4	170.4	60.8	0	0	0	0	111.2	S32 S33 I34	T30-S32 PolarHBondContact O-N 3.01Å; T30-S32 PolarHBondContact OG1-OG 2.88Å; T30-S33 PolarHBondContact N-OG 3.09Å; T30-S33 VanDerWaalsContact N-OG 3.15Å; T30-S33 WeakPolarHBondContact O-CB 2.91Å; T30-S33 PolarHBondContact O-N 3.43Å; T30-S33 PolarHBondContact O-OG 2.85Å; T30-S33 WeakPolarHBondContact OG1-CB 3.45Å; T30-S33 PolarHBondContact OG1-N 2.88Å; T30-I34 PolarHBondContact O-N 2.64Å; T30-I34 VanDerWaalsContact O-N 3.15Å
31	T	86.9	Confident	67	Low	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-55.5	-42.5	174.8	-37.1	0	0	0	0	110	S33 I34 Y35 V54 L57 D58 M102 F103 C106	T31-S33 VanDerWaalsContact C-N 3.33Å; T31-S33 PolarHBondContact O-N 3.23Å; T31-I34 PolarHBondContact O-N 2.71Å; T31-Y35 WeakPolarHBondContact O-CB 3.37Å; T31-Y35 PolarHBondContact O-N 3.01Å; T31-V54 HydrophobicContact CG2-CG1 4.03Å; T31-L57 HydrophobicContact CG2-CB 4.32Å; T31-L57 HydrophobicContact CG2-CD1 4.35Å; T31-D58 VanDerWaalsContact CA-OD1 3.29Å; T31-D58 WeakPolarHBondContact CA-OD1 3.3Å; T31-D58 WeakPolarHBondContact CB-OD1 3.17Å; T31-D58 PolarHBondContact N-OD1 3.36Å; T31-D58 PolarHBondContact OG1-OD1 3.1Å; T31-M102 HydrophobicContact CG2-CB 3.86Å; T31-F103 HydrophobicContact CG2-CB 4.45Å; T31-C106 PolarHBondContact N-SG 2.91Å
32	S	88.1	Confident	68.9	Low	27 Å²	27	71.8 Å²	71.8	19%	0.189	39%	0.385	C	S	.	.	H	α-helix	trans	-59.4	-39.1	174.4	53.9	0	0	0	0	113.6	T30 Y35 C36 V54 D58	T30-S32 PolarHBondContact O-N 3.01Å; T30-S32 PolarHBondContact OG1-OG 2.88Å; S32-Y35 PolarHBondContact O-N 3Å; S32-C36 VanDerWaalsContact O-CB 3.32Å; S32-C36 WeakPolarHBondContact O-CB 3.46Å; S32-C36 PolarHBondContact O-N 3.33Å; S32-C36 PolarHBondContact O-SG 3.44Å; S32-V54 VanDerWaalsContact N-CG1 3.32Å; S32-D58 WeakPolarHBondContact CB-OD2 3.43Å; S32-D58 PolarHBondContact N-OD1 3.19Å; S32-D58 PolarHBondContact N-OD2 3Å; S32-D58 VanDerWaalsContact N-OD2 3.16Å; S32-D58 PolarHBondContact OG-OD2 3.5Å
33	S	86.8	Confident	70.4	Confident	44 Å²	44	75 Å²	75	31%	0.308	40%	0.396	S	S	.	.	H	α-helix	trans	-68.2	-39	178.9	75.5	0	0	0	0	112.3	R29 T30 T31 R37	R29-S33 WeakPolarHBondContact CB-OG 3.48Å; T30-S33 PolarHBondContact N-OG 3.09Å; T30-S33 VanDerWaalsContact N-OG 3.15Å; T30-S33 WeakPolarHBondContact O-CB 2.91Å; T30-S33 PolarHBondContact O-N 3.43Å; T30-S33 PolarHBondContact O-OG 2.85Å; T30-S33 WeakPolarHBondContact OG1-CB 3.45Å; T30-S33 PolarHBondContact OG1-N 2.88Å; T31-S33 VanDerWaalsContact C-N 3.33Å; T31-S33 PolarHBondContact O-N 3.23Å; S33-R37 VanDerWaalsContact O-CB 3.25Å; S33-R37 WeakPolarHBondContact O-CB 3.35Å; S33-R37 PolarHBondContact O-N 3.1Å
34	I	87	Confident	72.5	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.015	38%	0.375	C	S	.	.	H	α-helix	trans	-66.1	-46.3	175.3	-65.6	-171	0	0	0	110	R29 T30 T31 R37 H38 M102 C106	R29-I34 HydrophobicContact CB-CG1 4.26Å; T30-I34 PolarHBondContact O-N 2.64Å; T30-I34 VanDerWaalsContact O-N 3.15Å; T31-I34 PolarHBondContact O-N 2.71Å; I34-R37 PolarHBondContact O-N 2.65Å; I34-H38 PolarHBondContact O-CD2 2.66Å; I34-H38 PolarHBondContact O-N 3.1Å; I34-M102 HydrophobicContact CG2-CE 4.44Å; I34-M102 HydrophobicContact CG2-CG 4.16Å; I34-M102 HydrophobicContact CG2-SD 4.16Å; I34-C106 WeakPolarHBondContact CD1-SG 3.46Å
35	Y	88.1	Confident	74.4	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-58.3	-54.3	177	-176.7	-88.7	0	0	0	111.7	T31 S32 R37 H38 V39 L44 R45 H46 D47 Q50 F51 V54 M98 L99 M102	T31-Y35 WeakPolarHBondContact O-CB 3.37Å; T31-Y35 PolarHBondContact O-N 3.01Å; S32-Y35 PolarHBondContact O-N 3Å; Y35-R37 VanDerWaalsContact C-N 3.26Å; Y35-R37 PolarHBondContact O-N 3.26Å; Y35-H38 PolarHBondContact O-N 3.44Å; Y35-H38 VanDerWaalsContact O-N 3.09Å; Y35-V39 HydrophobicContact CD1-CG2 4.05Å; Y35-V39 HydrophobicContact CE1-CG2 3.73Å; Y35-V39 WeakPolarHBondContact O-CG2 3.41Å; Y35-V39 PolarHBondContact O-N 3.27Å; Y35-L44 HydrophobicContact CD2-CD1 4.04Å; Y35-L44 HydrophobicContact CE2-CD1 4.19Å; Y35-R45 PolarHBondContact OH-O 3.06Å; Y35-H46 AromaticContact CE1-ND1 3.74Å; Y35-D47 PolarHBondContact OH-N 2.91Å; Y35-Q50 HydrophobicContact CE2-CB 4.43Å; Y35-Q50 PolarHBondContact OH-OE1 3.02Å; Y35-F51 AromaticContact CD1-CD2 3.52Å; Y35-F51 HydrophobicContact CD1-CD2 3.52Å; Y35-F51 HydrophobicContact CD1-CE2 4.03Å; Y35-F51 HydrophobicContact CE1-CB 4.22Å; Y35-F51 AromaticContact CE1-CD2 3.73Å; Y35-F51 HydrophobicContact CE1-CD2 3.73Å; Y35-F51 HydrophobicContact CE1-CG 4.37Å; Y35-F51 HydrophobicContact CG-CD2 4.36Å; Y35-V54 HydrophobicContact CD2-CG2 3.88Å; Y35-V54 HydrophobicContact CE2-CG2 4.39Å; Y35-V54 HydrophobicContact CG-CG2 4.09Å; Y35-M98 HydrophobicContact CE2-CE 4.48Å; Y35-L99 HydrophobicContact CD2-CD2 4.44Å; Y35-M102 HydrophobicContact CD2-SD 4.49Å
36	C	87.1	Confident	76.6	Confident	46 Å²	46	66.5 Å²	66.5	31%	0.311	36%	0.362	S	S	.	.	H	α-helix	trans	-59.9	-36.2	179.1	-73.7	0	0	0	0	112.6	S32 V39 K40 F51	S32-C36 VanDerWaalsContact O-CB 3.32Å; S32-C36 WeakPolarHBondContact O-CB 3.46Å; S32-C36 PolarHBondContact O-N 3.33Å; S32-C36 PolarHBondContact O-SG 3.44Å; C36-V39 PolarHBondContact O-N 2.96Å; C36-K40 WeakPolarHBondContact O-CG 3.28Å; C36-K40 PolarHBondContact O-N 2.69Å; C36-F51 VanDerWaalsContact SG-CE2 3.53Å
37	R	85.2	Confident	78.6	Confident	54 Å²	54	67.1 Å²	67.1	20%	0.204	36%	0.363	C	S	.	.	H	α-helix	trans	-64.9	-45.6	174.6	178.4	177.7	59.8	82.1	2.9	111.2	S33 I34 Y35 V39 K40 E41	S33-R37 VanDerWaalsContact O-CB 3.25Å; S33-R37 WeakPolarHBondContact O-CB 3.35Å; S33-R37 PolarHBondContact O-N 3.1Å; I34-R37 PolarHBondContact O-N 2.65Å; Y35-R37 VanDerWaalsContact C-N 3.26Å; Y35-R37 PolarHBondContact O-N 3.26Å; R37-V39 VanDerWaalsContact C-N 3.27Å; R37-V39 PolarHBondContact O-N 3.46Å; R37-K40 PolarHBondContact O-N 3.26Å; R37-K40 VanDerWaalsContact O-N 3.14Å; R37-E41 WeakPolarHBondContact CD-OE1 3.49Å; R37-E41 HydrophobicContact CG-CG 4.29Å; R37-E41 WeakPolarHBondContact CG-OE1 3.46Å; R37-E41 IonicContact CZ-OE1 3.5Å; R37-E41 IonicContact NE-OE1 3.56Å; R37-E41 IonicContact NH1-OE1 3.92Å; R37-E41 PolarHBondContact NH1-OE1 3.26Å; R37-E41 IonicContact NH1-OE2 2.6Å; R37-E41 PolarHBondContact NH1-OE2 2.87Å; R37-E41 WeakPolarHBondContact O-CB 3.46Å; R37-E41 VanDerWaalsContact O-CG 3.32Å; R37-E41 WeakPolarHBondContact O-CG 3.36Å; R37-E41 PolarHBondContact O-N 3.34Å
38	H	82.9	Confident	80.4	Confident	17 Å²	17	64.9 Å²	64.9	8%	0.079	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-31.7	177	-73.6	-38	0	0	0	113	I34 Y35 E41 G42 K43 L44	I34-H38 PolarHBondContact O-CD2 2.66Å; I34-H38 PolarHBondContact O-N 3.1Å; Y35-H38 PolarHBondContact O-N 3.44Å; Y35-H38 VanDerWaalsContact O-N 3.09Å; H38-E41 IonicContact CE1-OE2 3.14Å; H38-E41 IonicContact ND1-OE2 3.6Å; H38-E41 PolarHBondContact ND1-OE2 3.34Å; H38-G42 PolarHBondContact O-N 2.95Å; H38-K43 HydrophobicContact CB-CB 4.28Å; H38-K43 PolarHBondContact O-N 2.63Å; H38-L44 HydrophobicContact CB-CB 4.2Å; H38-L44 HydrophobicContact CB-CD1 3.67Å; H38-L44 HydrophobicContact CB-CG 3.83Å; H38-L44 PolarHBondContact O-N 3.43Å
39	V	82.7	Confident	81.9	Confident	41 Å²	41	65.2 Å²	65.2	25%	0.248	33%	0.328	C	S	.	.	H	α-helix	trans	-63.2	-47.9	168.9	172.8	0	0	0	0	111.2	Y35 C36 R37 E41 G42 L44 H46	Y35-V39 HydrophobicContact CD1-CG2 4.05Å; Y35-V39 HydrophobicContact CE1-CG2 3.73Å; Y35-V39 WeakPolarHBondContact O-CG2 3.41Å; Y35-V39 PolarHBondContact O-N 3.27Å; C36-V39 PolarHBondContact O-N 2.96Å; R37-V39 VanDerWaalsContact C-N 3.27Å; R37-V39 PolarHBondContact O-N 3.46Å; V39-E41 VanDerWaalsContact C-N 3.32Å; V39-E41 PolarHBondContact O-N 2.86Å; V39-G42 PolarHBondContact O-N 3.38Å; V39-G42 VanDerWaalsContact O-N 3.07Å; V39-L44 WeakPolarHBondContact CA-O 3.05Å; V39-L44 HydrophobicContact CG2-CB 4.09Å; V39-H46 HydrophobicContact CG1-CB 3.93Å; V39-H46 HydrophobicContact CG2-CB 4.31Å
40	K	81.1	Confident	82.6	Confident	185 Å²	185	61.1 Å²	61.1	80%	0.804	31%	0.313	S	S	*	.	H	α-helix	trans	-63.1	-36.2	177.2	-73.5	178.3	179.7	-174.5	0	113.2	C36 R37 G42	C36-K40 WeakPolarHBondContact O-CG 3.28Å; C36-K40 PolarHBondContact O-N 2.69Å; R37-K40 PolarHBondContact O-N 3.26Å; R37-K40 VanDerWaalsContact O-N 3.14Å; K40-G42 PolarHBondContact O-N 3.45Å
41	E	78.6	Confident	82.7	Confident	84 Å²	84	60 Å²	60	39%	0.393	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-0.6	175.9	-70.7	172.2	-170.8	0	0	112.8	R37 H38 V39 K43	R37-E41 WeakPolarHBondContact CD-OE1 3.49Å; R37-E41 HydrophobicContact CG-CG 4.29Å; R37-E41 WeakPolarHBondContact CG-OE1 3.46Å; R37-E41 IonicContact CZ-OE1 3.5Å; R37-E41 IonicContact NE-OE1 3.56Å; R37-E41 IonicContact NH1-OE1 3.92Å; R37-E41 PolarHBondContact NH1-OE1 3.26Å; R37-E41 IonicContact NH1-OE2 2.6Å; R37-E41 PolarHBondContact NH1-OE2 2.87Å; R37-E41 WeakPolarHBondContact O-CB 3.46Å; R37-E41 VanDerWaalsContact O-CG 3.32Å; R37-E41 WeakPolarHBondContact O-CG 3.36Å; R37-E41 PolarHBondContact O-N 3.34Å; H38-E41 IonicContact CE1-OE2 3.14Å; H38-E41 IonicContact ND1-OE2 3.6Å; H38-E41 PolarHBondContact ND1-OE2 3.34Å; V39-E41 VanDerWaalsContact C-N 3.32Å; V39-E41 PolarHBondContact O-N 2.86Å; E41-K43 HydrophobicContact CB-CD 4.24Å; E41-K43 HydrophobicContact CB-CG 4.11Å; E41-K43 PolarHBondContact O-N 3.17Å; E41-K43 WeakPolarHBondContact OE2-CD 3.3Å; E41-K43 VanDerWaalsContact OE2-CE 3.28Å; E41-K43 WeakPolarHBondContact OE2-CE 3.28Å; E41-K43 IonicContact OE2-NZ 3.72Å; E41-K43 PolarHBondContact OE2-NZ 2.99Å
42	G	71.9	Confident	82.9	Confident	66 Å²	66	62.2 Å²	62.2	68%	0.68	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	7.1	-176.6	0	0	0	0	0	114.3	H38 V39 K40	H38-G42 PolarHBondContact O-N 2.95Å; V39-G42 PolarHBondContact O-N 3.38Å; V39-G42 VanDerWaalsContact O-N 3.07Å; K40-G42 PolarHBondContact O-N 3.45Å
43	K	71.4	Confident	83	Confident	123 Å²	123	61 Å²	61	54%	0.535	31%	0.31	S	S	.	.	S	Bend	trans	-78.1	-25	178.9	-66.9	179.5	-175.7	160.2	0	112.6	H38 E41	H38-K43 HydrophobicContact CB-CB 4.28Å; H38-K43 PolarHBondContact O-N 2.63Å; E41-K43 HydrophobicContact CB-CD 4.24Å; E41-K43 HydrophobicContact CB-CG 4.11Å; E41-K43 PolarHBondContact O-N 3.17Å; E41-K43 WeakPolarHBondContact OE2-CD 3.3Å; E41-K43 VanDerWaalsContact OE2-CE 3.28Å; E41-K43 WeakPolarHBondContact OE2-CE 3.28Å; E41-K43 IonicContact OE2-NZ 3.72Å; E41-K43 PolarHBondContact OE2-NZ 2.99Å
44	L	75.8	Confident	83.2	Confident	36 Å²	36	58.9 Å²	58.9	19%	0.188	30%	0.295	C	S	.	.	S	Bend	trans	-129.2	145.2	175.7	-69.2	179.9	0	0	0	111	Y35 H38 V39 M98 M102	Y35-L44 HydrophobicContact CD2-CD1 4.04Å; Y35-L44 HydrophobicContact CE2-CD1 4.19Å; H38-L44 HydrophobicContact CB-CB 4.2Å; H38-L44 HydrophobicContact CB-CD1 3.67Å; H38-L44 HydrophobicContact CB-CG 3.83Å; H38-L44 PolarHBondContact O-N 3.43Å; V39-L44 WeakPolarHBondContact CA-O 3.05Å; V39-L44 HydrophobicContact CG2-CB 4.09Å; L44-M98 HydrophobicContact CD1-CE 4.09Å; L44-M98 HydrophobicContact CD1-SD 3.78Å; L44-M98 HydrophobicContact CD2-CE 4.28Å; L44-M98 HydrophobicContact CD2-SD 3.38Å; L44-M98 WeakPolarHBondContact CD2-SD 3.44Å; L44-M98 HydrophobicContact CG-SD 4.25Å; L44-M102 HydrophobicContact CD1-CE 3.5Å
45	R	75.7	Confident	83.5	Confident	163 Å²	163	64.1 Å²	64.1	62%	0.615	32%	0.318	S	S	*	.			trans	-83.3	135.5	166.4	-176.1	176.9	172.4	-177.7	-1.7	108.7	Y35 D47	Y35-R45 PolarHBondContact OH-O 3.06Å; R45-D47 PolarHBondContact O-N 2.9Å
46	H	81.2	Confident	83.7	Confident	82 Å²	82	67.4 Å²	67.4	38%	0.38	33%	0.333	S	S	.	.			trans	-65.6	130	172.3	-168.2	60.2	0	0	0	110.4	Y35 V39 D48 F51	Y35-H46 AromaticContact CE1-ND1 3.74Å; V39-H46 HydrophobicContact CG1-CB 3.93Å; V39-H46 HydrophobicContact CG2-CB 4.31Å; H46-D48 IonicContact CD2-OD1 3.88Å; H46-D48 IonicContact NE2-OD1 3.14Å; H46-D48 PolarHBondContact NE2-OD1 2.92Å; H46-F51 AromaticContact CE1-CG 3.92Å
47	D	83.3	Confident	84	Confident	31 Å²	31	65.2 Å²	65.2	17%	0.166	32%	0.318	C	S	.	.			trans	-133.8	118.6	172.6	-176.5	-63.2	0	0	0	108.4	Y35 R45 F49 Q50 F51 Y232	Y35-D47 PolarHBondContact OH-N 2.91Å; R45-D47 PolarHBondContact O-N 2.9Å; D47-F49 PolarHBondContact O-N 3.11Å; D47-F49 WeakPolarHBondContact OD1-CA 3.44Å; D47-F49 VanDerWaalsContact OD1-CB 3.27Å; D47-F49 WeakPolarHBondContact OD1-CB 3.27Å; D47-F49 PolarHBondContact OD1-N 2.75Å; D47-Q50 HydrophobicContact CB-CB 4.03Å; D47-Q50 HydrophobicContact CB-CG 4.03Å; D47-Q50 PolarHBondContact O-N 3.12Å; D47-Q50 PolarHBondContact OD1-N 3.23Å; D47-F51 VanDerWaalsContact O-CB 3.32Å; D47-F51 WeakPolarHBondContact O-CB 3.49Å; D47-F51 PolarHBondContact O-N 2.89Å; D47-Y232 WeakPolarHBondContact CB-OH 3.47Å; D47-Y232 PolarHBondContact OD2-OH 2.84Å
48	D	84.5	Confident	84.4	Confident	126 Å²	126	63.3 Å²	63.3	67%	0.674	31%	0.312	S	S	*	.	H	α-helix	trans	-60.5	-35.7	-176.2	-70.2	-44.8	0	0	0	112.2	H46 F51 S52	H46-D48 IonicContact CD2-OD1 3.88Å; H46-D48 IonicContact NE2-OD1 3.14Å; H46-D48 PolarHBondContact NE2-OD1 2.92Å; D48-F51 PolarHBondContact O-N 3.19Å; D48-S52 PolarHBondContact O-N 2.9Å
49	F	85.6	Confident	84.8	Confident	90 Å²	90	67.9 Å²	67.9	40%	0.395	33%	0.334	S	S	.	.	H	α-helix	trans	-71.5	-48.6	-179.8	-175.3	-115.8	0	0	0	110.8	D47 F51 S52 I53 N225	D47-F49 PolarHBondContact O-N 3.11Å; D47-F49 WeakPolarHBondContact OD1-CA 3.44Å; D47-F49 VanDerWaalsContact OD1-CB 3.27Å; D47-F49 WeakPolarHBondContact OD1-CB 3.27Å; D47-F49 PolarHBondContact OD1-N 2.75Å; F49-F51 PolarHBondContact O-N 3.01Å; F49-S52 WeakPolarHBondContact O-CB 3.29Å; F49-S52 PolarHBondContact O-N 3.29Å; F49-S52 VanDerWaalsContact O-N 3.16Å; F49-S52 PolarHBondContact O-OG 3.08Å; F49-I53 HydrophobicContact CD1-CD1 4.37Å; F49-I53 HydrophobicContact CE1-CD1 4.08Å; F49-I53 HydrophobicContact CZ-CD1 4.33Å; F49-I53 PolarHBondContact O-N 2.92Å; F49-N225 WeakPolarHBondContact CE1-O 3.49Å; F49-N225 WeakPolarHBondContact CZ-O 3.46Å
50	Q	85.5	Confident	85.3	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.019	32%	0.323	C	S	.	.	H	α-helix	trans	-57.2	-41.5	171.5	-71.9	-171.2	-14	0	0	111.3	Y35 D47 S52 I53 V54 C94 Y232	Y35-Q50 HydrophobicContact CE2-CB 4.43Å; Y35-Q50 PolarHBondContact OH-OE1 3.02Å; D47-Q50 HydrophobicContact CB-CB 4.03Å; D47-Q50 HydrophobicContact CB-CG 4.03Å; D47-Q50 PolarHBondContact O-N 3.12Å; D47-Q50 PolarHBondContact OD1-N 3.23Å; Q50-S52 VanDerWaalsContact C-N 3.29Å; Q50-S52 PolarHBondContact O-N 3.39Å; Q50-I53 WeakPolarHBondContact O-CB 3.44Å; Q50-I53 PolarHBondContact O-N 3.45Å; Q50-V54 WeakPolarHBondContact O-CG2 3.46Å; Q50-V54 PolarHBondContact O-N 2.77Å; Q50-C94 PolarHBondContact NE2-O 2.7Å; Q50-Y232 VanDerWaalsContact NE2-CZ 3.31Å
51	F	88.2	Confident	85.8	Confident	39 Å²	39	58 Å²	58	17%	0.171	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-32.2	-179.6	-168.2	-117.2	0	0	0	112.7	Y35 C36 H46 D47 D48 F49 I53 V54 K55	Y35-F51 AromaticContact CD1-CD2 3.52Å; Y35-F51 HydrophobicContact CD1-CD2 3.52Å; Y35-F51 HydrophobicContact CD1-CE2 4.03Å; Y35-F51 HydrophobicContact CE1-CB 4.22Å; Y35-F51 AromaticContact CE1-CD2 3.73Å; Y35-F51 HydrophobicContact CE1-CD2 3.73Å; Y35-F51 HydrophobicContact CE1-CG 4.37Å; Y35-F51 HydrophobicContact CG-CD2 4.36Å; C36-F51 VanDerWaalsContact SG-CE2 3.53Å; H46-F51 AromaticContact CE1-CG 3.92Å; D47-F51 VanDerWaalsContact O-CB 3.32Å; D47-F51 WeakPolarHBondContact O-CB 3.49Å; D47-F51 PolarHBondContact O-N 2.89Å; D48-F51 PolarHBondContact O-N 3.19Å; F49-F51 PolarHBondContact O-N 3.01Å; F51-I53 VanDerWaalsContact C-N 3.26Å; F51-I53 PolarHBondContact O-N 3.28Å; F51-V54 HydrophobicContact CD2-CB 4.34Å; F51-V54 HydrophobicContact CD2-CG1 4.44Å; F51-V54 WeakPolarHBondContact O-CB 3.41Å; F51-V54 PolarHBondContact O-N 3.28Å; F51-K55 PolarHBondContact O-N 3.12Å; F51-K55 VanDerWaalsContact O-N 3.09Å
52	S	89.3	Confident	86.3	Confident	45 Å²	45	60.8 Å²	60.8	32%	0.315	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-35.2	171.7	82.1	0	0	0	0	112.5	D48 F49 Q50 K55 Q56	D48-S52 PolarHBondContact O-N 2.9Å; F49-S52 WeakPolarHBondContact O-CB 3.29Å; F49-S52 PolarHBondContact O-N 3.29Å; F49-S52 VanDerWaalsContact O-N 3.16Å; F49-S52 PolarHBondContact O-OG 3.08Å; Q50-S52 VanDerWaalsContact C-N 3.29Å; Q50-S52 PolarHBondContact O-N 3.39Å; S52-K55 PolarHBondContact O-N 3.36Å; S52-Q56 PolarHBondContact O-N 3.14Å
53	I	91.5	Very high	87.2	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-75.9	-38.3	178.2	-59.8	174	0	0	0	110.2	F49 Q50 F51 K55 Q56 L57 L88 L99 V224 L226	F49-I53 HydrophobicContact CD1-CD1 4.37Å; F49-I53 HydrophobicContact CE1-CD1 4.08Å; F49-I53 HydrophobicContact CZ-CD1 4.33Å; F49-I53 PolarHBondContact O-N 2.92Å; Q50-I53 WeakPolarHBondContact O-CB 3.44Å; Q50-I53 PolarHBondContact O-N 3.45Å; F51-I53 VanDerWaalsContact C-N 3.26Å; F51-I53 PolarHBondContact O-N 3.28Å; I53-K55 PolarHBondContact O-N 3.29Å; I53-Q56 WeakPolarHBondContact O-CB 3.2Å; I53-Q56 PolarHBondContact O-N 3.39Å; I53-Q56 VanDerWaalsContact O-N 3.08Å; I53-L57 HydrophobicContact CG2-CD1 4.47Å; I53-L57 WeakPolarHBondContact O-CG 3.16Å; I53-L57 PolarHBondContact O-N 3.36Å; I53-L88 HydrophobicContact CG2-CD2 3.51Å; I53-L99 HydrophobicContact CG2-CD1 4.38Å; I53-V224 HydrophobicContact CD1-CG1 3.52Å; I53-V224 HydrophobicContact CG1-CG1 3.72Å; I53-V224 HydrophobicContact CG2-CG1 4.27Å; I53-L226 HydrophobicContact CD1-CD1 3.37Å; I53-L226 HydrophobicContact CD1-CG 3.97Å; I53-L226 HydrophobicContact CG2-CD1 4.33Å
54	V	91.5	Very high	88.1	Confident	0 Å²	0	56 Å²	56	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-37.7	172.1	173.3	0	0	0	0	111.5	T31 S32 Y35 Q50 F51 L57 D58 L99	T31-V54 HydrophobicContact CG2-CG1 4.03Å; S32-V54 VanDerWaalsContact N-CG1 3.32Å; Y35-V54 HydrophobicContact CD2-CG2 3.88Å; Y35-V54 HydrophobicContact CE2-CG2 4.39Å; Y35-V54 HydrophobicContact CG-CG2 4.09Å; Q50-V54 WeakPolarHBondContact O-CG2 3.46Å; Q50-V54 PolarHBondContact O-N 2.77Å; F51-V54 HydrophobicContact CD2-CB 4.34Å; F51-V54 HydrophobicContact CD2-CG1 4.44Å; F51-V54 WeakPolarHBondContact O-CB 3.41Å; F51-V54 PolarHBondContact O-N 3.28Å; V54-L57 PolarHBondContact O-N 3.09Å; V54-D58 PolarHBondContact O-N 2.87Å; V54-D58 VanDerWaalsContact O-N 3.07Å; V54-L99 HydrophobicContact CG2-CD2 3.49Å; V54-L99 VanDerWaalsContact CG2-CD2 3.49Å
55	K	91.4	Very high	88.5	Confident	113 Å²	113	56.3 Å²	56.3	49%	0.491	26%	0.264	S	S	.	.	H	α-helix	trans	-65.4	-41.1	174	-69.3	177.7	-177.1	177.5	0	112.6	F51 S52 I53 L57 D58 E59	F51-K55 PolarHBondContact O-N 3.12Å; F51-K55 VanDerWaalsContact O-N 3.09Å; S52-K55 PolarHBondContact O-N 3.36Å; I53-K55 PolarHBondContact O-N 3.29Å; K55-L57 VanDerWaalsContact C-N 3.3Å; K55-L57 PolarHBondContact O-N 2.97Å; K55-D58 WeakPolarHBondContact O-CB 3.44Å; K55-D58 PolarHBondContact O-N 2.89Å; K55-E59 PolarHBondContact O-N 2.91Å
56	Q	93	Very high	89	Confident	69 Å²	69	51.4 Å²	51.4	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-63.4	-37	174.9	-66	177.7	43.7	0	0	111.7	S52 I53 D58 E59 L60 I86	S52-Q56 PolarHBondContact O-N 3.14Å; I53-Q56 WeakPolarHBondContact O-CB 3.2Å; I53-Q56 PolarHBondContact O-N 3.39Å; I53-Q56 VanDerWaalsContact O-N 3.08Å; Q56-D58 VanDerWaalsContact C-N 3.32Å; Q56-D58 PolarHBondContact O-N 2.95Å; Q56-E59 PolarHBondContact O-N 3.4Å; Q56-L60 PolarHBondContact O-N 3.5Å; Q56-I86 HydrophobicContact CB-CD1 4.43Å
57	L	94.2	Very high	89.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-36.3	174.5	-69	167.1	0	0	0	111.9	T31 I53 V54 K55 L60 C61 I86 L99 F103	T31-L57 HydrophobicContact CG2-CB 4.32Å; T31-L57 HydrophobicContact CG2-CD1 4.35Å; I53-L57 HydrophobicContact CG2-CD1 4.47Å; I53-L57 WeakPolarHBondContact O-CG 3.16Å; I53-L57 PolarHBondContact O-N 3.36Å; V54-L57 PolarHBondContact O-N 3.09Å; K55-L57 VanDerWaalsContact C-N 3.3Å; K55-L57 PolarHBondContact O-N 2.97Å; L57-L60 PolarHBondContact O-N 2.98Å; L57-C61 PolarHBondContact O-N 3.46Å; L57-I86 HydrophobicContact CD2-CD1 3.7Å; L57-I86 HydrophobicContact CG-CD1 4.31Å; L57-L99 HydrophobicContact CD1-CB 4.18Å; L57-F103 HydrophobicContact CB-CB 4.28Å; L57-F103 HydrophobicContact CB-CD2 4Å; L57-F103 HydrophobicContact CB-CG 4.48Å; L57-F103 HydrophobicContact CD1-CB 4.17Å; L57-F103 HydrophobicContact CD2-CB 3.87Å; L57-F103 HydrophobicContact CD2-CD1 4.47Å; L57-F103 HydrophobicContact CD2-CD2 3.82Å; L57-F103 HydrophobicContact CD2-CG 3.79Å; L57-F103 HydrophobicContact CG-CB 4.33Å; L57-F103 HydrophobicContact CG-CD2 4.49Å
58	D	92.3	Very high	89.4	Confident	14 Å²	14	51.5 Å²	51.5	8%	0.075	25%	0.25	C	C	.	.	H	α-helix	trans	-67.4	-40.5	173.7	-77.4	-14.9	0	0	0	113.1	T31 S32 V54 K55 Q56 C61 K62	T31-D58 VanDerWaalsContact CA-OD1 3.29Å; T31-D58 WeakPolarHBondContact CA-OD1 3.3Å; T31-D58 WeakPolarHBondContact CB-OD1 3.17Å; T31-D58 PolarHBondContact N-OD1 3.36Å; T31-D58 PolarHBondContact OG1-OD1 3.1Å; S32-D58 WeakPolarHBondContact CB-OD2 3.43Å; S32-D58 PolarHBondContact N-OD1 3.19Å; S32-D58 PolarHBondContact N-OD2 3Å; S32-D58 VanDerWaalsContact N-OD2 3.16Å; S32-D58 PolarHBondContact OG-OD2 3.5Å; V54-D58 PolarHBondContact O-N 2.87Å; V54-D58 VanDerWaalsContact O-N 3.07Å; K55-D58 WeakPolarHBondContact O-CB 3.44Å; K55-D58 PolarHBondContact O-N 2.89Å; Q56-D58 VanDerWaalsContact C-N 3.32Å; Q56-D58 PolarHBondContact O-N 2.95Å; D58-C61 WeakPolarHBondContact O-CB 3.44Å; D58-C61 PolarHBondContact O-N 2.89Å; D58-K62 WeakPolarHBondContact O-CG 3.26Å; D58-K62 PolarHBondContact O-N 2.92Å; D58-K62 VanDerWaalsContact O-N 3.12Å
59	E	92.4	Very high	89	Confident	113 Å²	113	51 Å²	51	53%	0.528	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-46.8	173.5	-72.3	173.5	175.3	0	0	110.5	K55 Q56 C61 K62 E63	K55-E59 PolarHBondContact O-N 2.91Å; Q56-E59 PolarHBondContact O-N 3.4Å; E59-C61 VanDerWaalsContact C-N 3.34Å; E59-C61 PolarHBondContact O-N 3.03Å; E59-K62 WeakPolarHBondContact O-CB 3.34Å; E59-K62 PolarHBondContact O-N 2.8Å; E59-K62 VanDerWaalsContact O-N 3.08Å; E59-E63 WeakPolarHBondContact O-CG 3.49Å; E59-E63 PolarHBondContact O-N 2.84Å
60	L	93.4	Very high	88.3	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-43.4	175.4	-179.3	58.8	0	0	0	112	Q56 L57 K62 E63 L64 P83 R84 I86 F103 V188 V190	Q56-L60 PolarHBondContact O-N 3.5Å; L57-L60 PolarHBondContact O-N 2.98Å; L60-K62 VanDerWaalsContact C-N 3.29Å; L60-K62 PolarHBondContact O-N 3.04Å; L60-E63 PolarHBondContact O-N 3.3Å; L60-L64 HydrophobicContact CD1-CD1 4.12Å; L60-L64 HydrophobicContact CD1-CD2 4.47Å; L60-L64 HydrophobicContact CD1-CG 3.96Å; L60-L64 HydrophobicContact CD2-CD1 4.48Å; L60-L64 HydrophobicContact CG-CD1 3.83Å; L60-L64 HydrophobicContact CG-CG 4.18Å; L60-L64 WeakPolarHBondContact O-CB 3.38Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.24Å; L60-P83 HydrophobicContact CD1-CB 4.18Å; L60-R84 VanDerWaalsContact CD1-O 3.28Å; L60-R84 WeakPolarHBondContact CD1-O 3.49Å; L60-I86 HydrophobicContact CB-CD1 4.25Å; L60-I86 HydrophobicContact CD2-CD1 3.76Å; L60-I86 HydrophobicContact CD2-CG1 3.96Å; L60-F103 HydrophobicContact CB-CE2 4.31Å; L60-F103 HydrophobicContact CD2-CE2 3.89Å; L60-F103 HydrophobicContact CD2-CZ 3.81Å; L60-F103 HydrophobicContact CG-CE2 4.02Å; L60-F103 HydrophobicContact CG-CZ 4.2Å; L60-V188 HydrophobicContact CD1-CG1 4.34Å; L60-V190 HydrophobicContact CD2-CG2 3.68Å
61	C	90.8	Very high	86.7	Confident	12 Å²	12	54.2 Å²	54.2	8%	0.081	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-41.5	174.9	-86.7	0	0	0	0	112.6	L57 D58 E59 N65 F103	L57-C61 PolarHBondContact O-N 3.46Å; D58-C61 WeakPolarHBondContact O-CB 3.44Å; D58-C61 PolarHBondContact O-N 2.89Å; E59-C61 VanDerWaalsContact C-N 3.34Å; E59-C61 PolarHBondContact O-N 3.03Å; C61-N65 WeakPolarHBondContact O-CB 3.24Å; C61-N65 PolarHBondContact O-N 3.04Å; C61-N65 VanDerWaalsContact O-N 3.08Å; C61-N65 PolarHBondContact O-ND2 3.45Å; C61-F103 WeakPolarHBondContact SG-CD2 3.29Å; C61-F103 WeakPolarHBondContact SG-CE2 3.45Å
62	K	88.5	Confident	85.2	Confident	143 Å²	143	63.4 Å²	63.4	62%	0.622	30%	0.301	S	S	*	.	H	α-helix	trans	-67.2	-45	177.2	-68.5	170	-175.5	172.2	0	111.5	D58 E59 L60 N65 S66	D58-K62 WeakPolarHBondContact O-CG 3.26Å; D58-K62 PolarHBondContact O-N 2.92Å; D58-K62 VanDerWaalsContact O-N 3.12Å; E59-K62 WeakPolarHBondContact O-CB 3.34Å; E59-K62 PolarHBondContact O-N 2.8Å; E59-K62 VanDerWaalsContact O-N 3.08Å; L60-K62 VanDerWaalsContact C-N 3.29Å; L60-K62 PolarHBondContact O-N 3.04Å; K62-N65 PolarHBondContact O-N 3.23Å; K62-S66 WeakPolarHBondContact O-CB 3.01Å; K62-S66 PolarHBondContact O-N 2.85Å
63	E	90.7	Very high	83.4	Confident	90 Å²	90	68.7 Å²	68.7	42%	0.421	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-44.6	177.5	-71.1	-176.7	-176.2	0	0	111.7	E59 L60 S66 Y67 P83	E59-E63 WeakPolarHBondContact O-CG 3.49Å; E59-E63 PolarHBondContact O-N 2.84Å; L60-E63 PolarHBondContact O-N 3.3Å; E63-S66 PolarHBondContact O-N 3.35Å; E63-Y67 VanDerWaalsContact O-CB 3.26Å; E63-Y67 WeakPolarHBondContact O-CB 3.39Å; E63-Y67 PolarHBondContact O-N 3.2Å; E63-P83 HydrophobicContact CB-CB 4.03Å; E63-P83 HydrophobicContact CB-CG 3.96Å
64	L	90.6	Very high	81.5	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61	-46.5	177.2	-74.2	171.9	0	0	0	112.2	L60 S66 Y67 Y68 F103 L109 L158 V188	L60-L64 HydrophobicContact CD1-CD1 4.12Å; L60-L64 HydrophobicContact CD1-CD2 4.47Å; L60-L64 HydrophobicContact CD1-CG 3.96Å; L60-L64 HydrophobicContact CD2-CD1 4.48Å; L60-L64 HydrophobicContact CG-CD1 3.83Å; L60-L64 HydrophobicContact CG-CG 4.18Å; L60-L64 WeakPolarHBondContact O-CB 3.38Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.24Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 2.94Å; L64-Y67 PolarHBondContact O-N 3.49Å; L64-Y68 HydrophobicContact CD2-CD2 4.34Å; L64-Y68 HydrophobicContact CD2-CE2 3.71Å; L64-Y68 VanDerWaalsContact O-CD2 3.31Å; L64-Y68 WeakPolarHBondContact O-CD2 3.29Å; L64-Y68 PolarHBondContact O-N 3.42Å; L64-F103 HydrophobicContact CD1-CE2 4.22Å; L64-F103 HydrophobicContact CD1-CZ 3.77Å; L64-L109 HydrophobicContact CB-CD1 4.13Å; L64-L109 HydrophobicContact CD1-CD1 4.49Å; L64-L109 HydrophobicContact CD2-CD1 4.47Å; L64-L158 HydrophobicContact CD1-CD1 4.14Å; L64-L158 HydrophobicContact CD1-CD2 4.28Å; L64-V188 HydrophobicContact CD2-CB 3.75Å; L64-V188 HydrophobicContact CD2-CG1 3.97Å; L64-V188 HydrophobicContact CD2-CG2 3.65Å
65	N	85.7	Confident	79.7	Confident	42 Å²	42	77.9 Å²	77.9	23%	0.225	38%	0.379	C	S	.	.	H	α-helix	trans	-63.1	-41.4	176.7	-83.7	-31.2	0	0	0	111.7	C61 K62 Y67 N69 S108	C61-N65 WeakPolarHBondContact O-CB 3.24Å; C61-N65 PolarHBondContact O-N 3.04Å; C61-N65 VanDerWaalsContact O-N 3.08Å; C61-N65 PolarHBondContact O-ND2 3.45Å; K62-N65 PolarHBondContact O-N 3.23Å; N65-Y67 VanDerWaalsContact C-N 3.34Å; N65-N69 WeakPolarHBondContact O-CB 3.1Å; N65-N69 PolarHBondContact O-N 3.39Å; N65-N69 VanDerWaalsContact O-N 3.09Å; N65-N69 PolarHBondContact O-ND2 3.35Å; N65-S108 VanDerWaalsContact CG-OG 3.3Å; N65-S108 PolarHBondContact ND2-OG 3.48Å; N65-S108 PolarHBondContact OD1-OG 3.37Å
66	S	85.3	Confident	77.9	Confident	59 Å²	59	78.9 Å²	78.9	41%	0.413	39%	0.394	S	S	.	.	H	α-helix	trans	-64.9	-38.8	175.3	-172	0	0	0	0	112.2	K62 E63 L64 R70	K62-S66 WeakPolarHBondContact O-CB 3.01Å; K62-S66 PolarHBondContact O-N 2.85Å; E63-S66 PolarHBondContact O-N 3.35Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 2.94Å; S66-R70 WeakPolarHBondContact O-CG 3.27Å
67	Y	87.7	Confident	75.9	Confident	62 Å²	62	82.7 Å²	82.7	24%	0.243	42%	0.416	C	S	.	.	H	α-helix	trans	-71.1	-48.1	-178	179.8	-111.6	0	0	0	112.4	E63 L64 N65 V82 P83	E63-Y67 VanDerWaalsContact O-CB 3.26Å; E63-Y67 WeakPolarHBondContact O-CB 3.39Å; E63-Y67 PolarHBondContact O-N 3.2Å; L64-Y67 PolarHBondContact O-N 3.49Å; N65-Y67 VanDerWaalsContact C-N 3.34Å; Y67-V82 HydrophobicContact CE1-CG1 4.34Å; Y67-V82 HydrophobicContact CE2-CG2 4.38Å; Y67-P83 HydrophobicContact CG-CG 4.15Å
68	Y	84.8	Confident	73.7	Confident	54 Å²	54	88.1 Å²	88.1	21%	0.212	45%	0.445	C	S	.	.	H	α-helix	trans	-87.4	-27.4	-174.2	-67.4	-62.5	0	0	0	114.9	L64 R70 L109 K157 G186	L64-Y68 HydrophobicContact CD2-CD2 4.34Å; L64-Y68 HydrophobicContact CD2-CE2 3.71Å; L64-Y68 VanDerWaalsContact O-CD2 3.31Å; L64-Y68 WeakPolarHBondContact O-CD2 3.29Å; L64-Y68 PolarHBondContact O-N 3.42Å; Y68-R70 VanDerWaalsContact C-N 3.28Å; Y68-R70 PolarHBondContact O-N 3.3Å; Y68-L109 HydrophobicContact CD2-CD1 3.57Å; Y68-L109 HydrophobicContact CD2-CD2 3.72Å; Y68-L109 HydrophobicContact CD2-CG 4.31Å; Y68-L109 HydrophobicContact CE2-CD1 3.83Å; Y68-L109 HydrophobicContact CG-CD2 4.13Å; Y68-K157 HydrophobicContact CD1-CB 4.24Å; Y68-K157 HydrophobicContact CD1-CG 4.23Å; Y68-K157 HydrophobicContact CE1-CB 3.61Å; Y68-K157 HydrophobicContact CE1-CD 4.14Å; Y68-K157 HydrophobicContact CE1-CG 3.85Å; Y68-K157 HydrophobicContact CE2-CB 4.05Å; Y68-K157 PolarHBondContact OH-O 3.27Å; Y68-G186 PolarHBondContact OH-O 3.34Å
69	N	77.4	Confident	71.9	Confident	116 Å²	116	93.4 Å²	93.4	62%	0.62	48%	0.483	S	S	*	.	S	Bend	trans	-86.3	7.1	-179.8	-63.1	-38.4	0	0	0	113.8	N65 S71	N65-N69 WeakPolarHBondContact O-CB 3.1Å; N65-N69 PolarHBondContact O-N 3.39Å; N65-N69 VanDerWaalsContact O-N 3.09Å; N65-N69 PolarHBondContact O-ND2 3.35Å; N69-S71 PolarHBondContact O-N 2.9Å
70	R	69.3	Low	70.5	Confident	87 Å²	87	93 Å²	93	33%	0.328	48%	0.481	S	S	.	.			trans	-61.4	122.4	175.3	-90.7	168.9	-176.1	-133.6	3.5	110.8	S66 Y68 R72 N78	S66-R70 WeakPolarHBondContact O-CG 3.27Å; Y68-R70 VanDerWaalsContact C-N 3.28Å; Y68-R70 PolarHBondContact O-N 3.3Å; R70-R72 PolarHBondContact O-N 2.74Å; R70-N78 PolarHBondContact NH1-O 2.84Å
71	S	53.8	Low	69.9	Low	74 Å²	74	97.4 Å²	97.4	52%	0.517	51%	0.513	S	S	.	.			trans	-57.5	129.9	161.8	176.9	0	0	0	0	109.1	N69 L73 L74	N69-S71 PolarHBondContact O-N 2.9Å; S71-L73 PolarHBondContact O-N 3.28Å; S71-L74 PolarHBondContact O-N 2.96Å
72	R	55.6	Low	69.8	Low	231 Å²	231	99.5 Å²	99.5	87%	0.872	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-49.3	-27.3	-178	-78.5	-178.3	-175.7	154.2	2.4	113.5	R70 L74 S75	R70-R72 PolarHBondContact O-N 2.74Å; R72-L74 PolarHBondContact O-N 3.18Å; R72-S75 PolarHBondContact O-N 3.36Å; R72-S75 PolarHBondContact O-OG 2.8Å
73	L	52.4	Low	69.9	Low	156 Å²	156	93.4 Å²	93.4	82%	0.817	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-66.6	-26.1	-175.8	-69.5	170.1	0	0	0	114.8	S71	S71-L73 PolarHBondContact O-N 3.28Å
74	L	51.5	Low	70.2	Confident	125 Å²	125	93.7 Å²	93.7	65%	0.654	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-99.4	3.5	-177.7	-74	169.8	0	0	0	114.1	S71 R72 V76	S71-L74 PolarHBondContact O-N 2.96Å; R72-L74 PolarHBondContact O-N 3.18Å; L74-V76 VanDerWaalsContact C-N 3.27Å; L74-V76 PolarHBondContact O-N 2.89Å
75	S	53.5	Low	70.5	Confident	70 Å²	70	93.8 Å²	93.8	49%	0.49	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.3	-175.2	60.9	0	0	0	0	114.3	R72 L77	R72-S75 PolarHBondContact O-N 3.36Å; R72-S75 PolarHBondContact O-OG 2.8Å; S75-L77 PolarHBondContact O-N 3.14Å
76	V	53.6	Low	71	Confident	133 Å²	133	92 Å²	92	81%	0.806	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-26.6	-172	-178.8	0	0	0	0	113.3	L74	L74-V76 VanDerWaalsContact C-N 3.27Å; L74-V76 PolarHBondContact O-N 2.89Å
77	L	51.1	Low	71.6	Confident	150 Å²	150	89.1 Å²	89.1	79%	0.785	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-17.4	-169.3	-85.2	155.9	0	0	0	115.3	S75	S75-L77 PolarHBondContact O-N 3.14Å
78	N	48.2	Very low	72	Confident	114 Å²	114	86.2 Å²	86.2	61%	0.61	46%	0.457	S	S	*	.			trans	-143.2	99.2	-178.8	-96	-21.8	0	0	0	110.1	R70 Q80	R70-N78 PolarHBondContact NH1-O 2.84Å; N78-Q80 PolarHBondContact O-N 2.79Å
79	S	54.8	Low	72.5	Confident	125 Å²	125	86.1 Å²	86.1	87%	0.874	46%	0.457	S	S	*	.			trans	-67.2	70.9	167.6	60.7	0	0	0	0	109.7	S81	S79-S81 PolarHBondContact O-N 3.38Å
80	Q	61.4	Low	73	Confident	104 Å²	104	80.7 Å²	80.7	49%	0.486	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-69.4	122.3	172	-157.5	167.2	16.3	0	0	107.1	N78	N78-Q80 PolarHBondContact O-N 2.79Å
81	S	81.1	Confident	73.7	Confident	99 Å²	99	78.6 Å²	78.6	69%	0.692	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-59	149	177.1	50.7	0	0	0	0	110.4	S79	S79-S81 PolarHBondContact O-N 3.38Å
82	V	88	Confident	75	Confident	56 Å²	56	75.8 Å²	75.8	34%	0.339	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-53.3	129	172.4	-173.6	0	0	0	0	108.8	Y67 V188	Y67-V82 HydrophobicContact CE1-CG1 4.34Å; Y67-V82 HydrophobicContact CE2-CG2 4.38Å; V82-V188 HydrophobicContact CG1-CG2 3.94Å
83	P	92.5	Very high	75.9	Confident	15 Å²	15	65.2 Å²	65.2	10%	0.097	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-53.9	142.1	175.9	-27.4	35.8	0	0	0	111.2	L60 E63 Y67 V188	L60-P83 HydrophobicContact CD1-CB 4.18Å; E63-P83 HydrophobicContact CB-CB 4.03Å; E63-P83 HydrophobicContact CB-CG 3.96Å; Y67-P83 HydrophobicContact CG-CG 4.15Å; P83-V188 HydrophobicContact CB-CG2 4.36Å
84	R	95.5	Very high	77.4	Confident	96 Å²	96	57.8 Å²	57.8	36%	0.362	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-76.4	137.5	173.5	-72.8	-177.9	68.1	173.5	1.5	109.2	L60 K218 E219 K220 C221 H222	L60-R84 VanDerWaalsContact CD1-O 3.28Å; L60-R84 WeakPolarHBondContact CD1-O 3.49Å; R84-K218 PolarHBondContact NH2-O 3.25Å; R84-E219 PolarHBondContact NE-O 3.16Å; R84-E219 PolarHBondContact NH2-O 2.84Å; R84-K220 CarbonylContact C-O 3.48Å; R84-K220 VanDerWaalsContact CA-O 3.28Å; R84-K220 WeakPolarHBondContact CA-O 3.34Å; R84-C221 PolarHBondContact NH2-O 3.29Å; R84-H222 WeakPolarHBondContact CB-NE2 3.47Å
85	G	96.7	Very high	79	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-172.5	172.9	0	0	0	0	0	113	V189 K220 C221 H222	G85-V189 CarbonylContact C-O 3.53Å; G85-V189 WeakPolarHBondContact CA-O 3.45Å; G85-K220 PolarHBondContact N-O 3.35Å; G85-C221 CarbonylContact O-C 3.49Å; G85-C221 VanDerWaalsContact O-CA 3.28Å; G85-C221 WeakPolarHBondContact O-CA 3.41Å; G85-H222 PolarHBondContact O-N 2.99Å
86	I	97.6	Very high	80.7	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.9	175.3	-66.9	170.1	0	0	0	109.5	Q56 L57 L60 L88 V189 V190 A191 H222 V224	Q56-I86 HydrophobicContact CB-CD1 4.43Å; L57-I86 HydrophobicContact CD2-CD1 3.7Å; L57-I86 HydrophobicContact CG-CD1 4.31Å; L60-I86 HydrophobicContact CB-CD1 4.25Å; L60-I86 HydrophobicContact CD2-CD1 3.76Å; L60-I86 HydrophobicContact CD2-CG1 3.96Å; I86-L88 HydrophobicContact CG2-CD2 3.77Å; I86-L88 HydrophobicContact CG2-CG 3.75Å; I86-V189 PolarHBondContact N-O 3.09Å; I86-V189 VanDerWaalsContact N-O 3.08Å; I86-V190 CarbonylContact O-C 3.55Å; I86-V190 VanDerWaalsContact O-CA 3.22Å; I86-V190 WeakPolarHBondContact O-CA 3.49Å; I86-A191 PolarHBondContact O-N 3.46Å; I86-H222 HydrophobicContact CG1-CB 4.41Å; I86-V224 HydrophobicContact CG2-CG2 4.31Å
87	Y	97.8	Very high	82.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	102.4	170.6	-170.9	-84.4	0	0	0	108.8	Y89 F164 A191 S193 R195 P197 L200 L217 H222 I223 V224	Y87-Y89 HydrophobicContact CD1-CD1 4.28Å; Y87-Y89 HydrophobicContact CE1-CG 4.46Å; Y87-F164 HydrophobicContact CE2-CB 4.22Å; Y87-F164 HydrophobicContact CE2-CD1 4.05Å; Y87-F164 HydrophobicContact CE2-CG 4.17Å; Y87-A191 CarbonylContact C-O 3.49Å; Y87-A191 WeakPolarHBondContact CA-O 3.47Å; Y87-A191 HydrophobicContact CD2-CB 3.74Å; Y87-A191 HydrophobicContact CE2-CB 4.08Å; Y87-S193 VanDerWaalsContact CZ-CB 3.45Å; Y87-S193 WeakPolarHBondContact OH-CB 3.47Å; Y87-S193 PolarHBondContact OH-OG 2.66Å; Y87-R195 PolarHBondContact OH-O 2.95Å; Y87-P197 HydrophobicContact CD1-CG 3.67Å; Y87-P197 HydrophobicContact CE1-CG 3.66Å; Y87-P197 HydrophobicContact CG-CG 4.29Å; Y87-L200 HydrophobicContact CE2-CD1 4.34Å; Y87-L200 WeakPolarHBondContact OH-CD2 3.43Å; Y87-L217 HydrophobicContact CD2-CD1 4.41Å; Y87-L217 HydrophobicContact CD2-CD2 3.83Å; Y87-L217 HydrophobicContact CD2-CG 4.34Å; Y87-L217 HydrophobicContact CE2-CD2 3.81Å; Y87-H222 PolarHBondContact N-O 3.27Å; Y87-I223 HydrophobicContact CD1-CD1 4.42Å; Y87-I223 HydrophobicContact CG-CD1 4.18Å; Y87-V224 PolarHBondContact O-N 3.07Å
88	L	96	Very high	84.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.2	177.7	-64.5	172.1	0	0	0	109.5	I53 I86 L99 A191 T192 S193 V224 L226	I53-L88 HydrophobicContact CG2-CD2 3.51Å; I86-L88 HydrophobicContact CG2-CD2 3.77Å; I86-L88 HydrophobicContact CG2-CG 3.75Å; L88-L99 HydrophobicContact CD1-CB 4.38Å; L88-A191 PolarHBondContact N-O 3.37Å; L88-T192 HydrophobicContact CB-CG2 4.5Å; L88-T192 CarbonylContact O-C 3.59Å; L88-T192 VanDerWaalsContact O-CA 3.23Å; L88-T192 WeakPolarHBondContact O-CA 3.14Å; L88-S193 PolarHBondContact O-N 3.35Å; L88-V224 WeakPolarHBondContact CA-O 3.44Å; L88-V224 HydrophobicContact CD2-CB 3.92Å; L88-V224 HydrophobicContact CD2-CG1 3.93Å; L88-L226 HydrophobicContact CD2-CD1 4.11Å
89	Y	94.6	Very high	86.2	Confident	53 Å²	53	35.1 Å²	35.1	21%	0.208	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	155.7	174.6	76.6	-77	0	0	0	112.9	Y87 S193 R195 C196 I223 V224 N225 L226	Y87-Y89 HydrophobicContact CD1-CD1 4.28Å; Y87-Y89 HydrophobicContact CE1-CG 4.46Å; Y89-S193 WeakPolarHBondContact CA-O 3.49Å; Y89-R195 WeakPolarHBondContact CB-O 3.43Å; Y89-C196 HydrophobicContact CD2-CB 3.64Å; Y89-C196 HydrophobicContact CE2-CB 3.49Å; Y89-C196 VanDerWaalsContact CE2-CB 3.49Å; Y89-C196 HydrophobicContact CG-CB 4.27Å; Y89-I223 HydrophobicContact CD1-CG2 3.92Å; Y89-I223 HydrophobicContact CE1-CG2 3.54Å; Y89-V224 WeakPolarHBondContact CD1-O 3.47Å; Y89-V224 PolarHBondContact N-O 3.33Å; Y89-N225 HydrophobicContact CE1-CB 3.82Å; Y89-N225 HydrophobicContact CE2-CB 4.1Å; Y89-N225 CarbonylContact O-C 3.52Å; Y89-N225 WeakPolarHBondContact O-CA 3.31Å; Y89-N225 PolarHBondContact O-OD1 2.95Å; Y89-L226 PolarHBondContact O-N 3.17Å
90	G	89.1	Confident	88.1	Confident	2 Å²	2	29.1 Å²	29.1	2%	0.021	16%	0.163	C	C	.	.			trans	160.2	174.7	178.8	0	0	0	0	0	111.6	K96 S193 N194	G90-K96 WeakPolarHBondContact O-CE 3.35Å; G90-K96 PolarHBondContact O-NZ 3.5Å; G90-S193 PolarHBondContact N-O 3.33Å; G90-N194 WeakPolarHBondContact O-CA 3.44Å; G90-N194 PolarHBondContact O-OD1 3.16Å
91	S	82.6	Confident	89.5	Confident	43 Å²	43	26.1 Å²	26.1	30%	0.301	15%	0.15	S	C	.	.	S	Bend	trans	-58.9	168.5	-179.7	63.6	0	0	0	0	114.3	C94 K96 D227	S91-C94 PolarHBondContact O-SG 3.44Å; S91-K96 PolarHBondContact O-NZ 3.19Å; S91-D227 WeakPolarHBondContact CA-OD1 3.39Å; S91-D227 WeakPolarHBondContact CB-OD1 3.42Å; S91-D227 VanDerWaalsContact N-CG 3.32Å; S91-D227 PolarHBondContact N-OD1 3.43Å; S91-D227 PolarHBondContact N-OD2 2.96Å; S91-D227 PolarHBondContact OG-OD1 3.01Å
92	V	80.5	Confident	89.9	Confident	14 Å²	14	21.9 Å²	21.9	9%	0.085	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	142.1	179.4	-178.9	0	0	0	0	110.6	C94 F420 S423 R424 S427	V92-C94 PolarHBondContact O-N 3.19Å; V92-C94 VanDerWaalsContact O-N 3.14Å; V92-F420 HydrophobicContact CG2-CD2 4.38Å; V92-F420 HydrophobicContact CG2-CE2 3.45Å; V92-F420 VanDerWaalsContact CG2-CE2 3.45Å; V92-F420 HydrophobicContact CG2-CZ 3.48Å; V92-F420 VanDerWaalsContact CG2-CZ 3.48Å; V92-S423 WeakPolarHBondContact CG2-OG 3.47Å; V92-R424 HydrophobicContact CG1-CB 4.25Å; V92-R424 HydrophobicContact CG1-CG 4.27Å; V92-R424 HydrophobicContact CG2-CB 4.05Å; V92-S427 WeakPolarHBondContact CG1-OG 3.41Å
93	G	76	Confident	90.1	Very high	9 Å²	9	19.2 Å²	19.2	9%	0.093	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	1.5	168.1	0	0	0	0	0	115.2	G95 D231 Y232	G93-G95 PolarHBondContact O-N 2.79Å; G93-D231 VanDerWaalsContact CA-OD1 3.3Å; G93-D231 WeakPolarHBondContact CA-OD1 3.47Å; G93-Y232 WeakPolarHBondContact O-CD2 3.3Å; G93-Y232 PolarHBondContact O-N 3.44Å
94	C	83.7	Confident	90.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-73	-6.4	177.9	67.1	0	0	0	0	114.6	Q50 S91 V92 K96 L226 Y232	Q50-C94 PolarHBondContact NE2-O 2.7Å; S91-C94 PolarHBondContact O-SG 3.44Å; V92-C94 PolarHBondContact O-N 3.19Å; V92-C94 VanDerWaalsContact O-N 3.14Å; C94-K96 VanDerWaalsContact SG-CG 3.54Å; C94-K96 PolarHBondContact SG-NZ 3.44Å; C94-K96 VanDerWaalsContact SG-NZ 3.43Å; C94-L226 VanDerWaalsContact C-CD2 3.46Å; C94-L226 HydrophobicContact CB-CD2 3.78Å; C94-L226 WeakPolarHBondContact O-CD2 3.49Å; C94-L226 WeakPolarHBondContact SG-CD2 3.32Å; C94-Y232 WeakPolarHBondContact O-CD2 3.25Å; C94-Y232 WeakPolarHBondContact O-CE2 3.33Å
95	G	84	Confident	89.7	Confident	16 Å²	16	16.1 Å²	16.1	17%	0.165	9%	0.09	C	C	.	.	S	Bend	trans	102.4	11.7	173.1	0	0	0	0	0	116.5	G93 T97 M98 L99	G93-G95 PolarHBondContact O-N 2.79Å; G95-T97 PolarHBondContact O-N 3.17Å; G95-M98 WeakPolarHBondContact O-CB 3.32Å; G95-M98 PolarHBondContact O-N 3.33Å; G95-L99 WeakPolarHBondContact O-CG 3.28Å; G95-L99 PolarHBondContact O-N 3.35Å
96	K	90.3	Very high	89.2	Confident	10 Å²	10	16.9 Å²	16.9	4%	0.043	10%	0.095	C	C	.	.	H	α-helix	trans	-55.3	-51.4	-177.9	-55.5	176.9	-65.7	-77.9	0	113.7	G90 S91 C94 M98 L99 M100 T192 S193 N194 L226	G90-K96 WeakPolarHBondContact O-CE 3.35Å; G90-K96 PolarHBondContact O-NZ 3.5Å; S91-K96 PolarHBondContact O-NZ 3.19Å; C94-K96 VanDerWaalsContact SG-CG 3.54Å; C94-K96 PolarHBondContact SG-NZ 3.44Å; C94-K96 VanDerWaalsContact SG-NZ 3.43Å; K96-M98 VanDerWaalsContact C-N 3.35Å; K96-M98 PolarHBondContact O-N 3.1Å; K96-L99 PolarHBondContact O-N 2.95Å; K96-M100 PolarHBondContact O-N 2.66Å; K96-T192 HydrophobicContact CB-CG2 3.91Å; K96-T192 WeakPolarHBondContact O-CG2 3.42Å; K96-S193 WeakPolarHBondContact CD-O 3.38Å; K96-S193 WeakPolarHBondContact CE-O 3.47Å; K96-N194 WeakPolarHBondContact CE-OD1 3.49Å; K96-N194 PolarHBondContact NZ-OD1 2.86Å; K96-L226 HydrophobicContact CG-CB 4.23Å; K96-L226 HydrophobicContact CG-CD2 4.08Å
97	T	87.4	Confident	88.7	Confident	38 Å²	38	16.7 Å²	16.7	23%	0.233	9%	0.094	C	C	.	.	H	α-helix	trans	-60.8	-46.1	-179.1	-55.5	0	0	0	0	110.7	G95 L99 M100 D101 D162	G95-T97 PolarHBondContact O-N 3.17Å; T97-L99 PolarHBondContact O-N 3.45Å; T97-M100 PolarHBondContact O-N 2.92Å; T97-D101 WeakPolarHBondContact CG2-OD2 3.39Å; T97-D101 WeakPolarHBondContact O-CB 3.28Å; T97-D101 VanDerWaalsContact O-CG 3.25Å; T97-D101 PolarHBondContact O-N 2.94Å; T97-D162 VanDerWaalsContact CG2-OD2 3.26Å; T97-D162 WeakPolarHBondContact CG2-OD2 3.34Å; T97-D162 PolarHBondContact OG1-OD1 2.79Å
98	M	89.6	Confident	87.9	Confident	52 Å²	52	20.3 Å²	20.3	26%	0.256	12%	0.12	S	C	.	.	H	α-helix	trans	-55	-48.7	175.2	177.1	-162.2	79.1	0	0	112.1	Y35 L44 G95 K96 D101 M102	Y35-M98 HydrophobicContact CE2-CE 4.48Å; L44-M98 HydrophobicContact CD1-CE 4.09Å; L44-M98 HydrophobicContact CD1-SD 3.78Å; L44-M98 HydrophobicContact CD2-CE 4.28Å; L44-M98 HydrophobicContact CD2-SD 3.38Å; L44-M98 WeakPolarHBondContact CD2-SD 3.44Å; L44-M98 HydrophobicContact CG-SD 4.25Å; G95-M98 WeakPolarHBondContact O-CB 3.32Å; G95-M98 PolarHBondContact O-N 3.33Å; K96-M98 VanDerWaalsContact C-N 3.35Å; K96-M98 PolarHBondContact O-N 3.1Å; M98-D101 PolarHBondContact O-N 3.24Å; M98-M102 HydrophobicContact CE-CE 4.34Å; M98-M102 HydrophobicContact CG-CE 3.72Å; M98-M102 WeakPolarHBondContact O-CG 3.33Å; M98-M102 PolarHBondContact O-N 3.28Å; M98-M102 HydrophobicContact SD-CE 3.98Å
99	L	91.8	Very high	87.3	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-41	-179.8	-68.5	176.4	0	0	0	112.4	Y35 I53 V54 L57 L88 G95 K96 T97 F103 L226	Y35-L99 HydrophobicContact CD2-CD2 4.44Å; I53-L99 HydrophobicContact CG2-CD1 4.38Å; V54-L99 HydrophobicContact CG2-CD2 3.49Å; V54-L99 VanDerWaalsContact CG2-CD2 3.49Å; L57-L99 HydrophobicContact CD1-CB 4.18Å; L88-L99 HydrophobicContact CD1-CB 4.38Å; G95-L99 WeakPolarHBondContact O-CG 3.28Å; G95-L99 PolarHBondContact O-N 3.35Å; K96-L99 PolarHBondContact O-N 2.95Å; T97-L99 PolarHBondContact O-N 3.45Å; L99-F103 WeakPolarHBondContact O-CB 3.45Å; L99-F103 PolarHBondContact O-N 3.36Å; L99-L226 HydrophobicContact CD1-CD1 3.42Å; L99-L226 VanDerWaalsContact CD1-CD1 3.42Å; L99-L226 HydrophobicContact CD1-CD2 4.31Å; L99-L226 HydrophobicContact CD1-CG 4.47Å
100	M	93.4	Very high	86.6	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-41.1	176	-175.3	-172.3	65.1	0	0	111.5	K96 T97 F103 Y104 R114 C160 D162 V190 T192	K96-M100 PolarHBondContact O-N 2.66Å; T97-M100 PolarHBondContact O-N 2.92Å; M100-F103 PolarHBondContact O-N 3.07Å; M100-Y104 WeakPolarHBondContact O-CB 3.29Å; M100-Y104 PolarHBondContact O-N 2.96Å; M100-R114 HydrophobicContact CE-CG 4.14Å; M100-C160 HydrophobicContact CG-CB 4.29Å; M100-C160 HydrophobicContact SD-CB 3.91Å; M100-D162 HydrophobicContact CE-CB 3.6Å; M100-V190 HydrophobicContact CG-CG1 4.02Å; M100-T192 HydrophobicContact CB-CG2 3.64Å; M100-T192 HydrophobicContact CE-CG2 4.3Å; M100-T192 HydrophobicContact CG-CG2 4.23Å; M100-T192 HydrophobicContact SD-CG2 3.82Å
101	D	90.8	Very high	86.6	Confident	41 Å²	41	28 Å²	28	22%	0.219	17%	0.168	C	C	.	.	H	α-helix	trans	-68.4	-41.7	-179.7	-67.7	-24.9	0	0	0	110.8	T97 M98 F103 Y104 E105 R114	T97-D101 WeakPolarHBondContact CG2-OD2 3.39Å; T97-D101 WeakPolarHBondContact O-CB 3.28Å; T97-D101 VanDerWaalsContact O-CG 3.25Å; T97-D101 PolarHBondContact O-N 2.94Å; M98-D101 PolarHBondContact O-N 3.24Å; D101-F103 PolarHBondContact O-N 2.93Å; D101-Y104 PolarHBondContact O-N 2.95Å; D101-E105 WeakPolarHBondContact O-CG 3.49Å; D101-E105 PolarHBondContact O-N 3.39Å; D101-R114 IonicContact OD1-CZ 2.77Å; D101-R114 IonicContact OD1-NE 3.68Å; D101-R114 PolarHBondContact OD1-NE 2.99Å; D101-R114 IonicContact OD1-NH2 3.26Å; D101-R114 PolarHBondContact OD1-NH2 3.17Å; D101-R114 IonicContact OD2-NH2 3.56Å
102	M	89.1	Confident	87.1	Confident	9 Å²	9	27 Å²	27	4%	0.044	16%	0.158	C	C	.	.	H	α-helix	trans	-58.1	-46.1	171.6	-71.1	-175.9	-176.8	0	0	112.3	T31 I34 Y35 L44 M98 E105 C106	T31-M102 HydrophobicContact CG2-CB 3.86Å; I34-M102 HydrophobicContact CG2-CE 4.44Å; I34-M102 HydrophobicContact CG2-CG 4.16Å; I34-M102 HydrophobicContact CG2-SD 4.16Å; Y35-M102 HydrophobicContact CD2-SD 4.49Å; L44-M102 HydrophobicContact CD1-CE 3.5Å; M98-M102 HydrophobicContact CE-CE 4.34Å; M98-M102 HydrophobicContact CG-CE 3.72Å; M98-M102 WeakPolarHBondContact O-CG 3.33Å; M98-M102 PolarHBondContact O-N 3.28Å; M98-M102 HydrophobicContact SD-CE 3.98Å; M102-E105 PolarHBondContact O-N 3.26Å; M102-C106 PolarHBondContact O-N 2.96Å; M102-C106 VanDerWaalsContact O-N 3.08Å
103	F	93.5	Very high	87.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.9	-46.9	176.1	159.9	-97.2	0	0	0	111.6	T31 L57 L60 C61 L64 L99 M100 D101 E105 C106 C107 L158 V190	T31-F103 HydrophobicContact CG2-CB 4.45Å; L57-F103 HydrophobicContact CB-CB 4.28Å; L57-F103 HydrophobicContact CB-CD2 4Å; L57-F103 HydrophobicContact CB-CG 4.48Å; L57-F103 HydrophobicContact CD1-CB 4.17Å; L57-F103 HydrophobicContact CD2-CB 3.87Å; L57-F103 HydrophobicContact CD2-CD1 4.47Å; L57-F103 HydrophobicContact CD2-CD2 3.82Å; L57-F103 HydrophobicContact CD2-CG 3.79Å; L57-F103 HydrophobicContact CG-CB 4.33Å; L57-F103 HydrophobicContact CG-CD2 4.49Å; L60-F103 HydrophobicContact CB-CE2 4.31Å; L60-F103 HydrophobicContact CD2-CE2 3.89Å; L60-F103 HydrophobicContact CD2-CZ 3.81Å; L60-F103 HydrophobicContact CG-CE2 4.02Å; L60-F103 HydrophobicContact CG-CZ 4.2Å; C61-F103 WeakPolarHBondContact SG-CD2 3.29Å; C61-F103 WeakPolarHBondContact SG-CE2 3.45Å; L64-F103 HydrophobicContact CD1-CE2 4.22Å; L64-F103 HydrophobicContact CD1-CZ 3.77Å; L99-F103 WeakPolarHBondContact O-CB 3.45Å; L99-F103 PolarHBondContact O-N 3.36Å; M100-F103 PolarHBondContact O-N 3.07Å; D101-F103 PolarHBondContact O-N 2.93Å; F103-E105 PolarHBondContact O-N 2.96Å; F103-C106 PolarHBondContact O-N 3.41Å; F103-C107 WeakPolarHBondContact O-CB 3.39Å; F103-C107 PolarHBondContact O-N 3.24Å; F103-L158 HydrophobicContact CE1-CD1 4.19Å; F103-L158 HydrophobicContact CE1-CD2 3.84Å; F103-L158 HydrophobicContact CZ-CD1 4.22Å; F103-L158 HydrophobicContact CZ-CD2 3.97Å; F103-V190 HydrophobicContact CD1-CG1 4.39Å; F103-V190 HydrophobicContact CD1-CG2 4.28Å; F103-V190 HydrophobicContact CE1-CB 4.13Å; F103-V190 HydrophobicContact CE1-CG1 4.42Å; F103-V190 HydrophobicContact CE1-CG2 3.55Å; F103-V190 HydrophobicContact CZ-CG2 3.88Å
104	Y	92.6	Very high	88.7	Confident	34 Å²	34	28.2 Å²	28.2	13%	0.133	16%	0.158	C	C	.	.	H	α-helix	trans	-59.3	-37.5	-179.2	179.1	-98.1	0	0	0	111.1	F19 M100 D101 K112 R114 C160	F19-Y104 AromaticContact CE2-CD1 3.6Å; F19-Y104 HydrophobicContact CE2-CD1 3.6Å; F19-Y104 AromaticContact CE2-CE1 3.59Å; F19-Y104 HydrophobicContact CE2-CE1 3.59Å; F19-Y104 AromaticContact CZ-CD1 3.84Å; F19-Y104 HydrophobicContact CZ-CD1 3.84Å; F19-Y104 AromaticContact CZ-CE1 3.75Å; F19-Y104 HydrophobicContact CZ-CE1 3.75Å; M100-Y104 WeakPolarHBondContact O-CB 3.29Å; M100-Y104 PolarHBondContact O-N 2.96Å; D101-Y104 PolarHBondContact O-N 2.95Å; Y104-K112 HydrophobicContact CD2-CB 4.41Å; Y104-K112 HydrophobicContact CD2-CD 3.86Å; Y104-K112 HydrophobicContact CD2-CG 4.24Å; Y104-K112 HydrophobicContact CE1-CD 4.39Å; Y104-K112 HydrophobicContact CE2-CB 3.71Å; Y104-K112 HydrophobicContact CE2-CD 3.52Å; Y104-K112 HydrophobicContact CE2-CG 3.43Å; Y104-K112 VanDerWaalsContact CE2-CG 3.43Å; Y104-K112 HydrophobicContact CG-CD 4.46Å; Y104-K112 PolarHBondContact O-NZ 3.47Å; Y104-K112 PolarHBondContact OH-O 2.99Å; Y104-R114 HydrophobicContact CD1-CB 4.14Å; Y104-R114 HydrophobicContact CD2-CB 3.73Å; Y104-R114 HydrophobicContact CD2-CG 4.35Å; Y104-R114 HydrophobicContact CE1-CB 3.97Å; Y104-R114 HydrophobicContact CE2-CB 3.53Å; Y104-R114 HydrophobicContact CG-CB 4Å; Y104-R114 HydrophobicContact CG-CG 4.29Å; Y104-C160 HydrophobicContact CD2-CB 4.19Å
105	E	86.7	Confident	89.2	Confident	12 Å²	12	29 Å²	29	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-71.7	-43	177.4	-70.8	177.6	151.1	0	0	113.5	F19 L22 D101 M102 F103 C107	F19-E105 HydrophobicContact CZ-CG 4.18Å; L22-E105 VanDerWaalsContact CA-OE1 3.26Å; L22-E105 WeakPolarHBondContact CA-OE1 3.32Å; L22-E105 WeakPolarHBondContact CB-OE1 3.16Å; L22-E105 VanDerWaalsContact CB-OE2 3.29Å; L22-E105 WeakPolarHBondContact CB-OE2 3.43Å; L22-E105 WeakPolarHBondContact CD1-OE2 3.29Å; L22-E105 WeakPolarHBondContact CG-OE1 3.42Å; L22-E105 PolarHBondContact N-OE1 3.49Å; D101-E105 WeakPolarHBondContact O-CG 3.49Å; D101-E105 PolarHBondContact O-N 3.39Å; M102-E105 PolarHBondContact O-N 3.26Å; F103-E105 PolarHBondContact O-N 2.96Å; E105-C107 VanDerWaalsContact C-N 3.29Å; E105-C107 PolarHBondContact O-N 3.19Å
106	C	86.4	Confident	89.4	Confident	17 Å²	17	30 Å²	30	12%	0.115	16%	0.163	C	C	.	.	H	α-helix	trans	-67.7	-26.7	177.9	-76.3	0	0	0	0	113.7	R29 T31 I34 M102 F103 S108	R29-C106 PolarHBondContact O-SG 2.65Å; T31-C106 PolarHBondContact N-SG 2.91Å; I34-C106 WeakPolarHBondContact CD1-SG 3.46Å; M102-C106 PolarHBondContact O-N 2.96Å; M102-C106 VanDerWaalsContact O-N 3.08Å; F103-C106 PolarHBondContact O-N 3.41Å; C106-S108 PolarHBondContact O-N 3.39Å; C106-S108 VanDerWaalsContact O-N 3.16Å
107	C	86.1	Confident	89.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.			trans	-68.9	111.9	179.9	-170.7	0	0	0	0	110.6	F103 E105 L109 K112 L158	F103-C107 WeakPolarHBondContact O-CB 3.39Å; F103-C107 PolarHBondContact O-N 3.24Å; E105-C107 VanDerWaalsContact C-N 3.29Å; E105-C107 PolarHBondContact O-N 3.19Å; C107-L109 PolarHBondContact O-N 2.99Å; C107-L109 VanDerWaalsContact O-N 3.08Å; C107-L109 VanDerWaalsContact SG-CG 3.6Å; C107-K112 PolarHBondContact O-NZ 3.26Å; C107-L158 HydrophobicContact CB-CD2 4.21Å
108	S	81.9	Confident	89.1	Confident	77 Å²	77	34.3 Å²	34.3	54%	0.538	18%	0.181	S	C	.	.			trans	-72.6	5.2	-177.9	47.3	0	0	0	0	115.1	N65 C106 D110	N65-S108 VanDerWaalsContact CG-OG 3.3Å; N65-S108 PolarHBondContact ND2-OG 3.48Å; N65-S108 PolarHBondContact OD1-OG 3.37Å; C106-S108 PolarHBondContact O-N 3.39Å; C106-S108 VanDerWaalsContact O-N 3.16Å; S108-D110 PolarHBondContact O-N 3.48Å
109	L	83.5	Confident	88.8	Confident	11 Å²	11	32.4 Å²	32.4	6%	0.058	17%	0.172	C	C	.	.			trans	-68.4	131.3	176.2	-62.9	177.4	0	0	0	111.1	L64 Y68 C107 K112 L158	L64-L109 HydrophobicContact CB-CD1 4.13Å; L64-L109 HydrophobicContact CD1-CD1 4.49Å; L64-L109 HydrophobicContact CD2-CD1 4.47Å; Y68-L109 HydrophobicContact CD2-CD1 3.57Å; Y68-L109 HydrophobicContact CD2-CD2 3.72Å; Y68-L109 HydrophobicContact CD2-CG 4.31Å; Y68-L109 HydrophobicContact CE2-CD1 3.83Å; Y68-L109 HydrophobicContact CG-CD2 4.13Å; C107-L109 PolarHBondContact O-N 2.99Å; C107-L109 VanDerWaalsContact O-N 3.08Å; C107-L109 VanDerWaalsContact SG-CG 3.6Å; L109-K112 VanDerWaalsContact O-CD 3.25Å; L109-K112 WeakPolarHBondContact O-CD 3.4Å; L109-K112 VanDerWaalsContact O-CE 3.3Å; L109-K112 WeakPolarHBondContact O-CE 3.31Å; L109-K112 WeakPolarHBondContact O-CG 3.46Å; L109-L158 HydrophobicContact CD1-CB 4.11Å; L109-L158 HydrophobicContact CD1-CD2 4.46Å
110	D	79.1	Confident	88.8	Confident	147 Å²	147	32.4 Å²	32.4	79%	0.786	17%	0.172	S	C	*	.	S	Bend	trans	-74.1	-35.8	173	-68.1	-40.4	0	0	0	112	S108 K112	S108-D110 PolarHBondContact O-N 3.48Å; D110-K112 PolarHBondContact O-N 2.91Å; D110-K112 VanDerWaalsContact O-N 3.13Å
111	C	89.4	Confident	88.6	Confident	58 Å²	58	32.5 Å²	32.5	39%	0.392	17%	0.173	S	C	.	.	S	Bend	trans	-89.6	68.7	-175.8	-57.7	0	0	0	0	111.1	K157 L158	C111-K157 HydrophobicContact CB-CB 4.41Å; C111-K157 HydrophobicContact CB-CG 4.07Å; C111-K157 PolarHBondContact O-N 3.02Å; C111-L158 PolarHBondContact O-N 3.27Å
112	K	93.6	Very high	88.3	Confident	22 Å²	22	34 Å²	34	10%	0.096	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.7	179.8	60.5	-178.4	177.6	-173.5	0	111.8	Y104 C107 L109 D110 Y156 L158	Y104-K112 HydrophobicContact CD2-CB 4.41Å; Y104-K112 HydrophobicContact CD2-CD 3.86Å; Y104-K112 HydrophobicContact CD2-CG 4.24Å; Y104-K112 HydrophobicContact CE1-CD 4.39Å; Y104-K112 HydrophobicContact CE2-CB 3.71Å; Y104-K112 HydrophobicContact CE2-CD 3.52Å; Y104-K112 HydrophobicContact CE2-CG 3.43Å; Y104-K112 VanDerWaalsContact CE2-CG 3.43Å; Y104-K112 HydrophobicContact CG-CD 4.46Å; Y104-K112 PolarHBondContact O-NZ 3.47Å; Y104-K112 PolarHBondContact OH-O 2.99Å; C107-K112 PolarHBondContact O-NZ 3.26Å; L109-K112 VanDerWaalsContact O-CD 3.25Å; L109-K112 WeakPolarHBondContact O-CD 3.4Å; L109-K112 VanDerWaalsContact O-CE 3.3Å; L109-K112 WeakPolarHBondContact O-CE 3.31Å; L109-K112 WeakPolarHBondContact O-CG 3.46Å; D110-K112 PolarHBondContact O-N 2.91Å; D110-K112 VanDerWaalsContact O-N 3.13Å; K112-Y156 WeakPolarHBondContact O-CD1 3.37Å; K112-L158 CarbonylContact C-O 3.57Å; K112-L158 WeakPolarHBondContact CA-O 3.39Å; K112-L158 HydrophobicContact CB-CB 3.9Å; K112-L158 HydrophobicContact CB-CD2 4.1Å; K112-L158 HydrophobicContact CB-CG 4.29Å
113	W	95.7	Very high	88.4	Confident	17 Å²	17	36.8 Å²	36.8	6%	0.064	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	110.8	-178.5	-171.8	13.3	0	0	0	111.7	T115 F120 K123 I152 Y156 L158 L159 C160	W113-T115 HydrophobicContact CD2-CG2 4.49Å; W113-T115 HydrophobicContact CZ2-CG2 3.98Å; W113-F120 HydrophobicContact CE3-CD2 4.45Å; W113-F120 AromaticContact CH2-CD2 3.59Å; W113-F120 HydrophobicContact CH2-CD2 3.59Å; W113-F120 HydrophobicContact CH2-CE2 4.26Å; W113-F120 HydrophobicContact CZ2-CD2 4.39Å; W113-F120 AromaticContact CZ3-CD2 3.62Å; W113-F120 HydrophobicContact CZ3-CD2 3.62Å; W113-F120 AromaticContact CZ3-CE2 3.91Å; W113-F120 HydrophobicContact CZ3-CE2 3.91Å; W113-K123 HydrophobicContact CH2-CB 4.37Å; W113-K123 HydrophobicContact CH2-CD 4.02Å; W113-K123 HydrophobicContact CZ2-CD 3.56Å; W113-I152 HydrophobicContact CE3-CG2 3.98Å; W113-I152 HydrophobicContact CZ3-CD1 4.48Å; W113-I152 HydrophobicContact CZ3-CG1 4.49Å; W113-I152 HydrophobicContact CZ3-CG2 3.8Å; W113-Y156 HydrophobicContact CB-CD1 3.59Å; W113-Y156 HydrophobicContact CB-CD2 3.95Å; W113-Y156 HydrophobicContact CB-CE1 4.01Å; W113-Y156 HydrophobicContact CB-CE2 4.36Å; W113-Y156 HydrophobicContact CB-CG 3.53Å; W113-Y156 AromaticContact CD2-CD2 3.94Å; W113-Y156 HydrophobicContact CD2-CD2 3.94Å; W113-Y156 AromaticContact CD2-CE2 3.92Å; W113-Y156 HydrophobicContact CD2-CE2 3.92Å; W113-Y156 HydrophobicContact CD2-CG 4.45Å; W113-Y156 AromaticContact CE3-CD2 3.6Å; W113-Y156 HydrophobicContact CE3-CD2 3.6Å; W113-Y156 AromaticContact CE3-CE2 3.86Å; W113-Y156 HydrophobicContact CE3-CE2 3.86Å; W113-Y156 HydrophobicContact CE3-CG 4.32Å; W113-Y156 HydrophobicContact CG-CD1 4.29Å; W113-Y156 HydrophobicContact CG-CD2 4.12Å; W113-Y156 HydrophobicContact CG-CE1 4.29Å; W113-Y156 HydrophobicContact CG-CE2 4.15Å; W113-Y156 HydrophobicContact CG-CG 4.18Å; W113-Y156 HydrophobicContact CZ3-CD2 4.42Å; W113-Y156 HydrophobicContact CZ3-CE2 4.5Å; W113-L158 PolarHBondContact N-O 3.42Å; W113-L159 HydrophobicContact CB-CD2 4.15Å; W113-L159 HydrophobicContact CE3-CD2 4.07Å; W113-C160 PolarHBondContact O-N 3.16Å
114	R	94.8	Very high	88.2	Confident	31 Å²	31	36.8 Å²	36.8	12%	0.117	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.6	169	-164.7	-69.2	-169.4	-151.5	1.5	110.2	M100 D101 Y104 C160 D162	M100-R114 HydrophobicContact CE-CG 4.14Å; D101-R114 IonicContact OD1-CZ 2.77Å; D101-R114 IonicContact OD1-NE 3.68Å; D101-R114 PolarHBondContact OD1-NE 2.99Å; D101-R114 IonicContact OD1-NH2 3.26Å; D101-R114 PolarHBondContact OD1-NH2 3.17Å; D101-R114 IonicContact OD2-NH2 3.56Å; Y104-R114 HydrophobicContact CD1-CB 4.14Å; Y104-R114 HydrophobicContact CD2-CB 3.73Å; Y104-R114 HydrophobicContact CD2-CG 4.35Å; Y104-R114 HydrophobicContact CE1-CB 3.97Å; Y104-R114 HydrophobicContact CE2-CB 3.53Å; Y104-R114 HydrophobicContact CG-CB 4Å; Y104-R114 HydrophobicContact CG-CG 4.29Å; R114-C160 CarbonylContact C-O 3.58Å; R114-C160 WeakPolarHBondContact CA-O 3.1Å; R114-C160 HydrophobicContact CB-CB 4.07Å; R114-C160 HydrophobicContact CG-CB 3.96Å; R114-D162 IonicContact CZ-OD2 2.67Å; R114-D162 IonicContact NH1-OD2 3.25Å; R114-D162 VanDerWaalsContact NH2-CB 3.29Å; R114-D162 IonicContact NH2-OD1 3.95Å; R114-D162 IonicContact NH2-OD2 3.77Å; R114-D162 PolarHBondContact NH2-OD2 3.18Å
115	T	92.9	Very high	87.8	Confident	18 Å²	18	38.6 Å²	38.6	11%	0.11	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	161.5	172.8	-163.9	0	0	0	0	112.8	W113 F120 C160 F161 D162	W113-T115 HydrophobicContact CD2-CG2 4.49Å; W113-T115 HydrophobicContact CZ2-CG2 3.98Å; T115-F120 HydrophobicContact CG2-CB 3.66Å; T115-C160 PolarHBondContact N-O 2.93Å; T115-F161 HydrophobicContact CG2-CD1 4.17Å; T115-F161 HydrophobicContact CG2-CE1 4.31Å; T115-F161 WeakPolarHBondContact O-CA 3Å; T115-D162 PolarHBondContact O-N 2.85Å
116	H	87.9	Confident	87.7	Confident	37 Å²	37	40.1 Å²	40.1	17%	0.171	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	143.2	166.3	-69	-79.6	0	0	0	110	H118 S119 F120 D162	H116-H118 VanDerWaalsContact C-N 3.33Å; H116-H118 PolarHBondContact O-N 3.18Å; H116-S119 WeakPolarHBondContact O-CB 3.36Å; H116-S119 PolarHBondContact O-N 3.28Å; H116-S119 VanDerWaalsContact O-N 3.08Å; H116-F120 PolarHBondContact O-N 2.72Å; H116-D162 WeakPolarHBondContact CA-O 3.5Å; H116-D162 IonicContact CE1-OD2 3.57Å; H116-D162 PolarHBondContact CE1-OD2 3.3Å; H116-D162 IonicContact ND1-OD2 3.78Å
117	F	89.9	Confident	88	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-39	-173.1	-175.9	-105.6	0	0	0	114	S119 F120 M121 F161 D162 F164 Q165 V166 L175	F117-S119 VanDerWaalsContact C-N 3.34Å; F117-S119 PolarHBondContact O-N 3.49Å; F117-F120 HydrophobicContact CD2-CD1 4.13Å; F117-F120 HydrophobicContact CE2-CD1 4Å; F117-F120 HydrophobicContact CE2-CE1 4.32Å; F117-F120 WeakPolarHBondContact O-CB 3.43Å; F117-F120 PolarHBondContact O-N 3.45Å; F117-M121 HydrophobicContact CD1-CG 4.39Å; F117-M121 HydrophobicContact CE1-CG 3.89Å; F117-M121 HydrophobicContact CE2-CG 4.37Å; F117-M121 HydrophobicContact CZ-CG 3.91Å; F117-M121 HydrophobicContact CZ-SD 4.24Å; F117-M121 PolarHBondContact O-N 2.95Å; F117-F161 HydrophobicContact CD2-CB 4.48Å; F117-F161 HydrophobicContact CD2-CD1 4.37Å; F117-F161 HydrophobicContact CD2-CG 4.33Å; F117-D162 PolarHBondContact N-O 2.77Å; F117-F164 AromaticContact CD2-CD2 3.4Å; F117-F164 HydrophobicContact CD2-CD2 3.4Å; F117-F164 VanDerWaalsContact CD2-CD2 3.4Å; F117-F164 AromaticContact CD2-CE2 3.42Å; F117-F164 HydrophobicContact CD2-CE2 3.42Å; F117-F164 VanDerWaalsContact CD2-CE2 3.42Å; F117-F164 HydrophobicContact CD2-CG 4.12Å; F117-F164 HydrophobicContact CD2-CZ 4.12Å; F117-F164 AromaticContact CE2-CD2 3.64Å; F117-F164 HydrophobicContact CE2-CD2 3.64Å; F117-F164 HydrophobicContact CE2-CE1 4.22Å; F117-F164 AromaticContact CE2-CE2 3.13Å; F117-F164 HydrophobicContact CE2-CE2 3.13Å; F117-F164 HydrophobicContact CE2-CG 4.37Å; F117-F164 AromaticContact CE2-CZ 3.45Å; F117-F164 HydrophobicContact CE2-CZ 3.45Å; F117-F164 VanDerWaalsContact CE2-CZ 3.45Å; F117-F164 HydrophobicContact CG-CD2 4.07Å; F117-F164 HydrophobicContact CG-CE2 4.4Å; F117-F164 HydrophobicContact CG-CG 4.39Å; F117-F164 HydrophobicContact CZ-CD2 4.44Å; F117-F164 HydrophobicContact CZ-CE1 4.22Å; F117-F164 AromaticContact CZ-CE2 3.93Å; F117-F164 HydrophobicContact CZ-CE2 3.93Å; F117-F164 AromaticContact CZ-CZ 3.78Å; F117-F164 HydrophobicContact CZ-CZ 3.78Å; F117-Q165 WeakPolarHBondContact CD1-O 3.39Å; F117-Q165 WeakPolarHBondContact CE1-O 3.47Å; F117-V166 HydrophobicContact CE1-CG2 3.82Å; F117-V166 HydrophobicContact CZ-CG2 4.01Å; F117-L175 HydrophobicContact CE1-CD1 4.26Å; F117-L175 HydrophobicContact CE2-CD2 3.81Å; F117-L175 HydrophobicContact CZ-CD1 3.6Å; F117-L175 HydrophobicContact CZ-CD2 3.5Å; F117-L175 VanDerWaalsContact CZ-CD2 3.5Å; F117-L175 HydrophobicContact CZ-CG 4.14Å
118	H	82	Confident	88	Confident	134 Å²	134	42.5 Å²	42.5	62%	0.62	22%	0.223	S	C	*	.	H	α-helix	trans	-62.2	-41.5	175.6	-175.7	71.5	0	0	0	112.2	H116 F120 M121 Y122	H116-H118 VanDerWaalsContact C-N 3.33Å; H116-H118 PolarHBondContact O-N 3.18Å; H118-F120 VanDerWaalsContact C-N 3.31Å; H118-F120 PolarHBondContact O-N 3.47Å; H118-M121 PolarHBondContact O-N 2.98Å; H118-Y122 PolarHBondContact O-N 3.23Å
119	S	84.1	Confident	88.1	Confident	11 Å²	11	44.7 Å²	44.7	8%	0.077	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-35.7	175.9	-68.7	0	0	0	0	112.3	H116 F117 K123	H116-S119 WeakPolarHBondContact O-CB 3.36Å; H116-S119 PolarHBondContact O-N 3.28Å; H116-S119 VanDerWaalsContact O-N 3.08Å; F117-S119 VanDerWaalsContact C-N 3.34Å; F117-S119 PolarHBondContact O-N 3.49Å; S119-K123 PolarHBondContact O-N 3.08Å
120	F	92.5	Very high	88.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-53	170.4	164.1	-102	0	0	0	111.3	W113 T115 H116 F117 H118 Y122 K123 V124 I152 F161 L175 L178 F179 F182	W113-F120 HydrophobicContact CE3-CD2 4.45Å; W113-F120 AromaticContact CH2-CD2 3.59Å; W113-F120 HydrophobicContact CH2-CD2 3.59Å; W113-F120 HydrophobicContact CH2-CE2 4.26Å; W113-F120 HydrophobicContact CZ2-CD2 4.39Å; W113-F120 AromaticContact CZ3-CD2 3.62Å; W113-F120 HydrophobicContact CZ3-CD2 3.62Å; W113-F120 AromaticContact CZ3-CE2 3.91Å; W113-F120 HydrophobicContact CZ3-CE2 3.91Å; T115-F120 HydrophobicContact CG2-CB 3.66Å; H116-F120 PolarHBondContact O-N 2.72Å; F117-F120 HydrophobicContact CD2-CD1 4.13Å; F117-F120 HydrophobicContact CE2-CD1 4Å; F117-F120 HydrophobicContact CE2-CE1 4.32Å; F117-F120 WeakPolarHBondContact O-CB 3.43Å; F117-F120 PolarHBondContact O-N 3.45Å; H118-F120 VanDerWaalsContact C-N 3.31Å; H118-F120 PolarHBondContact O-N 3.47Å; F120-Y122 VanDerWaalsContact C-N 3.29Å; F120-Y122 PolarHBondContact O-N 2.97Å; F120-K123 WeakPolarHBondContact O-CB 3.44Å; F120-K123 PolarHBondContact O-N 2.81Å; F120-K123 VanDerWaalsContact O-N 3.07Å; F120-V124 HydrophobicContact CD1-CG2 4.34Å; F120-V124 HydrophobicContact CD2-CG2 4.06Å; F120-V124 HydrophobicContact CE1-CG2 3.9Å; F120-V124 HydrophobicContact CE2-CG2 3.6Å; F120-V124 HydrophobicContact CG-CG2 4.41Å; F120-V124 HydrophobicContact CZ-CG2 3.51Å; F120-V124 WeakPolarHBondContact O-CG2 3.4Å; F120-V124 PolarHBondContact O-N 2.76Å; F120-I152 HydrophobicContact CE2-CD1 4.27Å; F120-F161 HydrophobicContact CB-CD1 4.18Å; F120-F161 HydrophobicContact CB-CE1 3.85Å; F120-F161 AromaticContact CD1-CE1 3.92Å; F120-F161 HydrophobicContact CD1-CE1 3.92Å; F120-F161 HydrophobicContact CD1-CZ 4.31Å; F120-F161 AromaticContact CD2-CE1 3.49Å; F120-F161 HydrophobicContact CD2-CE1 3.49Å; F120-F161 VanDerWaalsContact CD2-CE1 3.49Å; F120-F161 AromaticContact CD2-CZ 3.96Å; F120-F161 HydrophobicContact CD2-CZ 3.96Å; F120-F161 HydrophobicContact CE1-CE1 4.34Å; F120-F161 HydrophobicContact CE1-CZ 4.27Å; F120-F161 AromaticContact CE2-CE1 3.95Å; F120-F161 HydrophobicContact CE2-CE1 3.95Å; F120-F161 AromaticContact CE2-CZ 3.92Å; F120-F161 HydrophobicContact CE2-CZ 3.92Å; F120-F161 HydrophobicContact CG-CD1 4.2Å; F120-F161 AromaticContact CG-CE1 3.47Å; F120-F161 HydrophobicContact CG-CE1 3.47Å; F120-F161 VanDerWaalsContact CG-CE1 3.47Å; F120-F161 HydrophobicContact CG-CZ 4.15Å; F120-F161 HydrophobicContact CZ-CE1 4.34Å; F120-F161 HydrophobicContact CZ-CZ 4.07Å; F120-L175 HydrophobicContact CE1-CD2 4.39Å; F120-L178 HydrophobicContact CE1-CD2 3.99Å; F120-L178 HydrophobicContact CZ-CD2 3.57Å; F120-F179 HydrophobicContact CE1-CE2 4.17Å; F120-F179 HydrophobicContact CZ-CE2 4.38Å; F120-F182 HydrophobicContact CE2-CE2 4.06Å; F120-F182 HydrophobicContact CE2-CZ 4.02Å; F120-F182 AromaticContact CZ-CE2 3.64Å; F120-F182 HydrophobicContact CZ-CE2 3.64Å; F120-F182 AromaticContact CZ-CZ 3.85Å; F120-F182 HydrophobicContact CZ-CZ 3.85Å
121	M	89.1	Confident	88.6	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-39	-178.6	-74.5	-51.5	-64.6	0	0	112.3	F117 H118 K123 V124 H125 D171 I174 L175	F117-M121 HydrophobicContact CD1-CG 4.39Å; F117-M121 HydrophobicContact CE1-CG 3.89Å; F117-M121 HydrophobicContact CE2-CG 4.37Å; F117-M121 HydrophobicContact CZ-CG 3.91Å; F117-M121 HydrophobicContact CZ-SD 4.24Å; F117-M121 PolarHBondContact O-N 2.95Å; H118-M121 PolarHBondContact O-N 2.98Å; M121-K123 PolarHBondContact O-N 2.85Å; M121-V124 WeakPolarHBondContact O-CB 3.48Å; M121-V124 PolarHBondContact O-N 2.83Å; M121-H125 PolarHBondContact O-CD2 3.44Å; M121-H125 PolarHBondContact O-N 3.29Å; M121-D171 HydrophobicContact CE-CB 3.8Å; M121-D171 VanDerWaalsContact CE-OD1 3.22Å; M121-D171 WeakPolarHBondContact CE-OD1 3.37Å; M121-I174 HydrophobicContact CE-CB 4.45Å; M121-I174 HydrophobicContact CE-CG2 4.35Å; M121-L175 HydrophobicContact CE-CD2 4.45Å; M121-L175 HydrophobicContact CE-CG 4.35Å; M121-L175 HydrophobicContact SD-CD2 3.63Å; M121-L175 HydrophobicContact SD-CG 4.13Å
122	Y	84.2	Confident	88.4	Confident	72 Å²	72	45.7 Å²	45.7	28%	0.282	22%	0.223	S	C	.	.	H	α-helix	trans	-57.7	-47.5	172.9	179	-96.5	0	0	0	112.5	L11 H118 F120 V124 H125 G126	L11-Y122 HydrophobicContact CB-CE1 4.21Å; L11-Y122 HydrophobicContact CD1-CD2 3.91Å; L11-Y122 HydrophobicContact CD1-CE2 3.61Å; L11-Y122 HydrophobicContact CD2-CD1 3.97Å; L11-Y122 HydrophobicContact CD2-CD2 3.92Å; L11-Y122 HydrophobicContact CD2-CE1 4.29Å; L11-Y122 HydrophobicContact CD2-CE2 4.27Å; L11-Y122 HydrophobicContact CD2-CG 3.76Å; L11-Y122 HydrophobicContact CG-CD2 4.47Å; L11-Y122 HydrophobicContact CG-CE2 4.36Å; H118-Y122 PolarHBondContact O-N 3.23Å; F120-Y122 VanDerWaalsContact C-N 3.29Å; F120-Y122 PolarHBondContact O-N 2.97Å; Y122-V124 VanDerWaalsContact C-N 3.32Å; Y122-V124 PolarHBondContact O-N 3.28Å; Y122-H125 PolarHBondContact O-N 2.65Å; Y122-G126 PolarHBondContact O-N 2.92Å
123	K	89.7	Confident	87.9	Confident	68 Å²	68	48.4 Å²	48.4	30%	0.296	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-38.4	177.2	-77.2	173.3	170.9	-175.2	0	111.7	W113 S119 F120 M121 G126 R127	W113-K123 HydrophobicContact CH2-CB 4.37Å; W113-K123 HydrophobicContact CH2-CD 4.02Å; W113-K123 HydrophobicContact CZ2-CD 3.56Å; S119-K123 PolarHBondContact O-N 3.08Å; F120-K123 WeakPolarHBondContact O-CB 3.44Å; F120-K123 PolarHBondContact O-N 2.81Å; F120-K123 VanDerWaalsContact O-N 3.07Å; M121-K123 PolarHBondContact O-N 2.85Å; K123-G126 PolarHBondContact O-N 2.94Å; K123-R127 WeakPolarHBondContact O-CG 3.22Å; K123-R127 PolarHBondContact O-N 3.5Å
124	V	90.9	Very high	87.3	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-48.8	174.7	169.4	0	0	0	0	110.8	F120 M121 Y122 G126 R127 L128 I152 I174 L178	F120-V124 HydrophobicContact CD1-CG2 4.34Å; F120-V124 HydrophobicContact CD2-CG2 4.06Å; F120-V124 HydrophobicContact CE1-CG2 3.9Å; F120-V124 HydrophobicContact CE2-CG2 3.6Å; F120-V124 HydrophobicContact CG-CG2 4.41Å; F120-V124 HydrophobicContact CZ-CG2 3.51Å; F120-V124 WeakPolarHBondContact O-CG2 3.4Å; F120-V124 PolarHBondContact O-N 2.76Å; M121-V124 WeakPolarHBondContact O-CB 3.48Å; M121-V124 PolarHBondContact O-N 2.83Å; Y122-V124 VanDerWaalsContact C-N 3.32Å; Y122-V124 PolarHBondContact O-N 3.28Å; V124-G126 VanDerWaalsContact C-N 3.3Å; V124-G126 PolarHBondContact O-N 3.38Å; V124-R127 PolarHBondContact O-N 2.76Å; V124-R127 VanDerWaalsContact O-N 3.16Å; V124-L128 HydrophobicContact CG1-CD1 3.75Å; V124-L128 HydrophobicContact CG1-CG 4.17Å; V124-L128 WeakPolarHBondContact O-CB 3.47Å; V124-L128 VanDerWaalsContact O-CG 3.29Å; V124-L128 WeakPolarHBondContact O-CG 3.35Å; V124-L128 PolarHBondContact O-N 3.34Å; V124-I152 HydrophobicContact CG2-CD1 4.01Å; V124-I174 HydrophobicContact CG1-CG2 4.16Å; V124-L178 HydrophobicContact CG1-CD2 3.87Å; V124-L178 HydrophobicContact CG2-CD2 3.86Å
125	H	84	Confident	86.3	Confident	71 Å²	71	52.4 Å²	52.4	33%	0.329	28%	0.282	S	S	.	.	H	α-helix	trans	-58.1	-42.2	176.5	-80.3	-65	0	0	0	112.2	M121 Y122 L128 H129 D171 I174	M121-H125 PolarHBondContact O-CD2 3.44Å; M121-H125 PolarHBondContact O-N 3.29Å; Y122-H125 PolarHBondContact O-N 2.65Å; H125-L128 PolarHBondContact O-N 3.03Å; H125-H129 WeakPolarHBondContact O-CB 3.18Å; H125-H129 PolarHBondContact O-N 3.5Å; H125-D171 IonicContact CD2-OD1 2.74Å; H125-D171 IonicContact CE1-OD1 3.76Å; H125-D171 IonicContact NE2-OD1 3.81Å; H125-D171 PolarHBondContact NE2-OD1 2.94Å; H125-I174 VanDerWaalsContact CE1-CD1 3.42Å; H125-I174 WeakPolarHBondContact CE1-CD1 3.22Å
126	G	84.4	Confident	85.2	Confident	44 Å²	44	55.8 Å²	55.8	45%	0.454	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-48.2	173.5	0	0	0	0	0	112.9	Y122 K123 V124 H129 A130	Y122-G126 PolarHBondContact O-N 2.92Å; K123-G126 PolarHBondContact O-N 2.94Å; V124-G126 VanDerWaalsContact C-N 3.3Å; V124-G126 PolarHBondContact O-N 3.38Å; G126-H129 PolarHBondContact O-N 3.37Å; G126-A130 PolarHBondContact O-N 3.16Å
127	R	91.8	Very high	84.2	Confident	67 Å²	67	65.9 Å²	65.9	25%	0.253	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-41.9	176.9	-70.2	-174.8	-176.5	-150.9	4.1	111.5	K123 V124 H129 A130 V131 V148 S151 I152 E155	K123-R127 WeakPolarHBondContact O-CG 3.22Å; K123-R127 PolarHBondContact O-N 3.5Å; V124-R127 PolarHBondContact O-N 2.76Å; V124-R127 VanDerWaalsContact O-N 3.16Å; R127-H129 PolarHBondContact O-N 2.91Å; R127-A130 PolarHBondContact O-N 2.96Å; R127-V131 WeakPolarHBondContact O-CB 3.32Å; R127-V131 WeakPolarHBondContact O-CG2 3.48Å; R127-V131 PolarHBondContact O-N 3.14Å; R127-V148 HydrophobicContact CB-CG1 3.84Å; R127-V148 HydrophobicContact CB-CG2 3.92Å; R127-S151 VanDerWaalsContact NH1-C 3.32Å; R127-S151 PolarHBondContact NH1-O 3.22Å; R127-S151 VanDerWaalsContact NH1-O 3.14Å; R127-S151 PolarHBondContact NH1-OG 3.08Å; R127-I152 VanDerWaalsContact NH1-CG1 3.28Å; R127-E155 IonicContact CZ-OE2 2.99Å; R127-E155 IonicContact NH1-OE2 2.7Å; R127-E155 IonicContact NH2-OE2 3.69Å; R127-E155 PolarHBondContact NH2-OE2 2.95Å
128	L	87.3	Confident	82.8	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-61.7	-43.5	176.2	-72.4	170.5	0	0	0	111.7	V124 H125 R132 P144 I145 V148 I174	V124-L128 HydrophobicContact CG1-CD1 3.75Å; V124-L128 HydrophobicContact CG1-CG 4.17Å; V124-L128 WeakPolarHBondContact O-CB 3.47Å; V124-L128 VanDerWaalsContact O-CG 3.29Å; V124-L128 WeakPolarHBondContact O-CG 3.35Å; V124-L128 PolarHBondContact O-N 3.34Å; H125-L128 PolarHBondContact O-N 3.03Å; L128-R132 WeakPolarHBondContact O-CB 3.42Å; L128-R132 VanDerWaalsContact O-CG 3.29Å; L128-R132 WeakPolarHBondContact O-CG 3.48Å; L128-R132 PolarHBondContact O-N 3.37Å; L128-P144 HydrophobicContact CD2-CB 3.86Å; L128-P144 HydrophobicContact CD2-CG 3.76Å; L128-I145 HydrophobicContact CD2-CG1 3.96Å; L128-V148 HydrophobicContact CD2-CB 4.22Å; L128-V148 HydrophobicContact CD2-CG2 3.83Å; L128-V148 HydrophobicContact CG-CG2 4.2Å; L128-I174 HydrophobicContact CD1-CD1 3.89Å; L128-I174 HydrophobicContact CD1-CG1 4.42Å; L128-I174 HydrophobicContact CD1-CG2 4.15Å
129	H	82.5	Confident	81.7	Confident	122 Å²	122	73.4 Å²	73.4	57%	0.565	38%	0.379	S	S	*	.	H	α-helix	trans	-62.9	-45.1	176.7	-179.4	-77.2	0	0	0	111.7	H125 G126 R127 R132 S133	H125-H129 WeakPolarHBondContact O-CB 3.18Å; H125-H129 PolarHBondContact O-N 3.5Å; G126-H129 PolarHBondContact O-N 3.37Å; R127-H129 PolarHBondContact O-N 2.91Å; H129-R132 PolarHBondContact O-N 3.39Å; H129-S133 PolarHBondContact CE1-OG 2.81Å; H129-S133 PolarHBondContact ND1-OG 3.39Å; H129-S133 WeakPolarHBondContact O-CB 3.36Å; H129-S133 PolarHBondContact O-N 2.87Å; H129-S133 PolarHBondContact O-OG 3.45Å
130	A	87.7	Confident	80.4	Confident	51 Å²	51	83.4 Å²	83.4	42%	0.421	42%	0.421	S	S	.	.	H	α-helix	trans	-60.9	-48.3	177.6	0	0	0	0	0	111.6	G126 R127 R132 S133 S134	G126-A130 PolarHBondContact O-N 3.16Å; R127-A130 PolarHBondContact O-N 2.96Å; A130-R132 PolarHBondContact O-N 3.02Å; A130-S133 PolarHBondContact O-N 2.91Å; A130-S133 VanDerWaalsContact O-N 3.17Å; A130-S134 PolarHBondContact O-N 3.21Å; A130-S134 VanDerWaalsContact O-N 3.08Å; A130-S134 PolarHBondContact O-OG 3Å
131	V	86.8	Confident	79.2	Confident	40 Å²	40	88.6 Å²	88.6	24%	0.242	46%	0.458	C	S	.	.	H	α-helix	trans	-62.9	-40	179	167.8	0	0	0	0	111.9	R127 A135 F142 P144 P147 V148	R127-V131 WeakPolarHBondContact O-CB 3.32Å; R127-V131 WeakPolarHBondContact O-CG2 3.48Å; R127-V131 PolarHBondContact O-N 3.14Å; V131-A135 PolarHBondContact O-N 3.14Å; V131-F142 HydrophobicContact CG1-CE1 3.55Å; V131-F142 HydrophobicContact CG1-CZ 3.94Å; V131-P144 HydrophobicContact CB-CB 4.29Å; V131-P144 HydrophobicContact CG1-CB 3.69Å; V131-P147 HydrophobicContact CG1-CB 4.3Å; V131-V148 HydrophobicContact CB-CG2 4.3Å; V131-V148 HydrophobicContact CG2-CG2 3.86Å
132	R	84.2	Confident	78.8	Confident	147 Å²	147	92.6 Å²	92.6	56%	0.555	48%	0.475	S	S	*	.	H	α-helix	trans	-64.9	-38.7	173.6	-76.3	175.7	173.7	139.8	2.9	112.7	L128 H129 A130 S134 A135 P144	L128-R132 WeakPolarHBondContact O-CB 3.42Å; L128-R132 VanDerWaalsContact O-CG 3.29Å; L128-R132 WeakPolarHBondContact O-CG 3.48Å; L128-R132 PolarHBondContact O-N 3.37Å; H129-R132 PolarHBondContact O-N 3.39Å; A130-R132 PolarHBondContact O-N 3.02Å; R132-S134 VanDerWaalsContact C-N 3.32Å; R132-S134 PolarHBondContact O-N 3.33Å; R132-A135 WeakPolarHBondContact O-CB 3.05Å; R132-A135 PolarHBondContact O-N 3.2Å; R132-P144 HydrophobicContact CG-CB 4.01Å; R132-P144 HydrophobicContact CG-CG 3.94Å
133	S	83.4	Confident	78.8	Confident	79 Å²	79	91.2 Å²	91.2	55%	0.552	47%	0.473	S	S	*	.	H	α-helix	trans	-69.8	-30.8	-178.6	-58.2	0	0	0	0	112.7	H129 A130	H129-S133 PolarHBondContact CE1-OG 2.81Å; H129-S133 PolarHBondContact ND1-OG 3.39Å; H129-S133 WeakPolarHBondContact O-CB 3.36Å; H129-S133 PolarHBondContact O-N 2.87Å; H129-S133 PolarHBondContact O-OG 3.45Å; A130-S133 PolarHBondContact O-N 2.91Å; A130-S133 VanDerWaalsContact O-N 3.17Å
134	S	83.1	Confident	78.7	Confident	105 Å²	105	88.2 Å²	88.2	73%	0.734	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-8	177	-55.8	0	0	0	0	113.7	A130 R132	A130-S134 PolarHBondContact O-N 3.21Å; A130-S134 VanDerWaalsContact O-N 3.08Å; A130-S134 PolarHBondContact O-OG 3Å; R132-S134 VanDerWaalsContact C-N 3.32Å; R132-S134 PolarHBondContact O-N 3.33Å
135	A	75.2	Confident	78.7	Confident	26 Å²	26	88.7 Å²	88.7	22%	0.215	46%	0.462	C	S	.	.	S	Bend	trans	-72.2	139.7	-178.1	0	0	0	0	0	111.2	V131 R132 R137 F142	V131-A135 PolarHBondContact O-N 3.14Å; R132-A135 WeakPolarHBondContact O-CB 3.05Å; R132-A135 PolarHBondContact O-N 3.2Å; A135-R137 PolarHBondContact O-N 3.14Å; A135-F142 HydrophobicContact CB-CD1 3.62Å; A135-F142 HydrophobicContact CB-CE1 3.95Å; A135-F142 HydrophobicContact CB-CG 4.27Å
136	P	69.7	Low	79.1	Confident	90 Å²	90	87.5 Å²	87.5	58%	0.584	46%	0.461	S	S	*	.			trans	-57.7	127	173.9	-21.5	31.1	0	0	0	110.6	N138 K139	P136-N138 PolarHBondContact O-N 3.42Å; P136-K139 PolarHBondContact O-N 3.13Å; P136-K139 VanDerWaalsContact O-N 3.15Å
137	R	65.5	Low	79.5	Confident	248 Å²	248	87.8 Å²	87.8	94%	0.936	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-22.7	-177.6	-72.2	-176.8	179.4	158.7	-0.1	114.2	A135	A135-R137 PolarHBondContact O-N 3.14Å
138	N	61.1	Low	79.6	Confident	157 Å²	157	84.6 Å²	84.6	84%	0.84	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-4.2	-173.7	-67.9	-3.7	0	0	0	115.3	P136 K140	P136-N138 PolarHBondContact O-N 3.42Å; N138-K140 PolarHBondContact O-N 3.33Å
139	K	58.1	Low	80	Confident	140 Å²	140	84.6 Å²	84.6	61%	0.609	44%	0.443	S	S	*	.			trans	-95.2	88.8	173.8	-79.5	-172.8	176.9	179.9	0	110.9	P136 S141 F142	P136-K139 PolarHBondContact O-N 3.13Å; P136-K139 VanDerWaalsContact O-N 3.15Å; K139-S141 PolarHBondContact O-N 2.82Å; K139-F142 HydrophobicContact CB-CB 4.12Å; K139-F142 PolarHBondContact O-N 2.93Å
140	K	58.1	Low	80.6	Confident	220 Å²	220	84.3 Å²	84.3	96%	0.957	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-15.9	174.6	-78.9	-174.7	175.2	-179.9	0	114.5	N138	N138-K140 PolarHBondContact O-N 3.33Å
141	S	67.3	Low	80.9	Confident	110 Å²	110	84 Å²	84	77%	0.769	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	19.2	-175.5	74.6	0	0	0	0	114.6	K139 D143	K139-S141 PolarHBondContact O-N 2.82Å; S141-D143 PolarHBondContact O-N 3.24Å; S141-D143 VanDerWaalsContact O-N 3.13Å
142	F	79.1	Confident	81.4	Confident	86 Å²	86	82.2 Å²	82.2	38%	0.377	42%	0.424	S	S	.	.			trans	-69.8	114.4	-179.3	-178.5	-109.1	0	0	0	111	V131 A135 K139 P144 P147	V131-F142 HydrophobicContact CG1-CE1 3.55Å; V131-F142 HydrophobicContact CG1-CZ 3.94Å; A135-F142 HydrophobicContact CB-CD1 3.62Å; A135-F142 HydrophobicContact CB-CE1 3.95Å; A135-F142 HydrophobicContact CB-CG 4.27Å; K139-F142 HydrophobicContact CB-CB 4.12Å; K139-F142 PolarHBondContact O-N 2.93Å; F142-P144 HydrophobicContact CE1-CB 4.45Å; F142-P144 WeakPolarHBondContact O-CD 3.28Å; F142-P147 HydrophobicContact CE2-CG 4.41Å; F142-P147 HydrophobicContact CZ-CG 3.96Å
143	D	85.4	Confident	81.9	Confident	42 Å²	42	75.2 Å²	75.2	23%	0.225	40%	0.398	C	S	.	.			trans	-89	113.6	176.3	-179	29.7	0	0	0	110.6	S141 I145 P146 P147 R177	S141-D143 PolarHBondContact O-N 3.24Å; S141-D143 VanDerWaalsContact O-N 3.13Å; D143-I145 VanDerWaalsContact C-N 3.3Å; D143-I145 PolarHBondContact O-N 2.97Å; D143-I145 PolarHBondContact OD1-N 2.8Å; D143-P146 VanDerWaalsContact CG-CD 3.48Å; D143-P146 WeakPolarHBondContact OD2-CD 3.34Å; D143-P146 WeakPolarHBondContact OD2-CG 3.34Å; D143-P147 WeakPolarHBondContact O-CD 3.48Å; D143-R177 IonicContact OD1-CZ 2.96Å; D143-R177 IonicContact OD1-NH1 3.97Å; D143-R177 PolarHBondContact OD1-NH1 3.14Å; D143-R177 IonicContact OD1-NH2 2.88Å; D143-R177 IonicContact OD2-CZ 3.09Å; D143-R177 IonicContact OD2-NH1 3.12Å; D143-R177 PolarHBondContact OD2-NH1 3.48Å; D143-R177 VanDerWaalsContact OD2-NH1 3.12Å; D143-R177 IonicContact OD2-NH2 2.58Å; D143-R177 PolarHBondContact OD2-NH2 3.49Å
144	P	87.9	Confident	82.3	Confident	5 Å²	5	76.6 Å²	76.6	3%	0.032	40%	0.399	C	S	.	.	S	Bend	trans	-78.6	-12.5	-177.4	34.1	-39.1	0	0	0	113.2	L128 V131 R132 F142 P147 V148	L128-P144 HydrophobicContact CD2-CB 3.86Å; L128-P144 HydrophobicContact CD2-CG 3.76Å; V131-P144 HydrophobicContact CB-CB 4.29Å; V131-P144 HydrophobicContact CG1-CB 3.69Å; R132-P144 HydrophobicContact CG-CB 4.01Å; R132-P144 HydrophobicContact CG-CG 3.94Å; F142-P144 HydrophobicContact CE1-CB 4.45Å; F142-P144 WeakPolarHBondContact O-CD 3.28Å; P144-P147 WeakPolarHBondContact O-CD 3.38Å; P144-V148 VanDerWaalsContact O-CG2 3.29Å; P144-V148 WeakPolarHBondContact O-CG2 3.34Å; P144-V148 PolarHBondContact O-N 3.49Å
145	I	91.2	Very high	82.8	Confident	11 Å²	11	75.7 Å²	75.7	6%	0.056	38%	0.383	C	S	.	.	H	α-helix	trans	-65.8	-50.8	-173.5	-64.9	176.6	0	0	0	112.3	L128 D143 V148 A149 I174 R177 L178	L128-I145 HydrophobicContact CD2-CG1 3.96Å; D143-I145 VanDerWaalsContact C-N 3.3Å; D143-I145 PolarHBondContact O-N 2.97Å; D143-I145 PolarHBondContact OD1-N 2.8Å; I145-V148 PolarHBondContact O-N 3.43Å; I145-A149 WeakPolarHBondContact O-CB 3.43Å; I145-A149 PolarHBondContact O-N 2.92Å; I145-I174 HydrophobicContact CD1-CG2 4.48Å; I145-R177 HydrophobicContact CD1-CB 3.93Å; I145-R177 HydrophobicContact CG2-CB 4.05Å; I145-L178 HydrophobicContact CG2-CB 4.28Å; I145-L178 HydrophobicContact CG2-CD1 4.28Å
146	P	92.2	Very high	83.8	Confident	46 Å²	46	76.7 Å²	76.7	30%	0.299	38%	0.381	S	S	.	.	H	α-helix	trans	-60.9	-43.5	-178.9	-20.6	29.9	0	0	0	113.8	D143 V148 A149 K150	D143-P146 VanDerWaalsContact CG-CD 3.48Å; D143-P146 WeakPolarHBondContact OD2-CD 3.34Å; D143-P146 WeakPolarHBondContact OD2-CG 3.34Å; P146-V148 PolarHBondContact O-N 3.06Å; P146-A149 PolarHBondContact O-N 3.08Å; P146-K150 WeakPolarHBondContact O-CB 3.47Å; P146-K150 PolarHBondContact O-N 2.78Å
147	P	92.3	Very high	84.8	Confident	51 Å²	51	75.1 Å²	75.1	33%	0.331	37%	0.365	S	S	.	.	H	α-helix	trans	-59.2	-42.2	172.4	-25	33.4	0	0	0	113.4	V131 F142 D143 P144 S151	V131-P147 HydrophobicContact CG1-CB 4.3Å; F142-P147 HydrophobicContact CE2-CG 4.41Å; F142-P147 HydrophobicContact CZ-CG 3.96Å; D143-P147 WeakPolarHBondContact O-CD 3.48Å; P144-P147 WeakPolarHBondContact O-CD 3.38Å; P147-S151 WeakPolarHBondContact O-CB 3.5Å; P147-S151 PolarHBondContact O-N 2.77Å
148	V	93.2	Very high	86.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66	-44.5	177	170.1	0	0	0	0	110.7	R127 L128 V131 P144 I145 P146 K150 S151 I152	R127-V148 HydrophobicContact CB-CG1 3.84Å; R127-V148 HydrophobicContact CB-CG2 3.92Å; L128-V148 HydrophobicContact CD2-CB 4.22Å; L128-V148 HydrophobicContact CD2-CG2 3.83Å; L128-V148 HydrophobicContact CG-CG2 4.2Å; V131-V148 HydrophobicContact CB-CG2 4.3Å; V131-V148 HydrophobicContact CG2-CG2 3.86Å; P144-V148 VanDerWaalsContact O-CG2 3.29Å; P144-V148 WeakPolarHBondContact O-CG2 3.34Å; P144-V148 PolarHBondContact O-N 3.49Å; I145-V148 PolarHBondContact O-N 3.43Å; P146-V148 PolarHBondContact O-N 3.06Å; V148-K150 VanDerWaalsContact C-N 3.34Å; V148-K150 PolarHBondContact O-N 3.43Å; V148-S151 PolarHBondContact O-N 3Å; V148-S151 PolarHBondContact O-OG 3.31Å; V148-I152 HydrophobicContact CG1-CD1 4.05Å; V148-I152 WeakPolarHBondContact O-CG1 2.96Å; V148-I152 PolarHBondContact O-N 2.77Å; V148-I152 VanDerWaalsContact O-N 3.1Å
149	A	95.3	Very high	88	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-49.9	178	0	0	0	0	0	110.8	I145 P146 S151 I152 I153 L178 N181 F182 L185	I145-A149 WeakPolarHBondContact O-CB 3.43Å; I145-A149 PolarHBondContact O-N 2.92Å; P146-A149 PolarHBondContact O-N 3.08Å; A149-S151 PolarHBondContact O-N 2.84Å; A149-I152 PolarHBondContact O-N 2.89Å; A149-I152 VanDerWaalsContact O-N 3.14Å; A149-I153 WeakPolarHBondContact O-CG1 3.49Å; A149-I153 PolarHBondContact O-N 2.86Å; A149-L178 HydrophobicContact CB-CD1 3.89Å; A149-N181 HydrophobicContact CB-CB 3.46Å; A149-N181 VanDerWaalsContact CB-CB 3.46Å; A149-F182 HydrophobicContact CB-CD1 4Å; A149-F182 HydrophobicContact CB-CE1 4.01Å; A149-L185 HydrophobicContact CB-CD1 4.48Å
150	K	95.4	Very high	89.8	Confident	117 Å²	117	49.1 Å²	49.1	51%	0.509	25%	0.252	S	S	.	.	H	α-helix	trans	-58.2	-45.4	175.8	-176.1	171.1	-178.5	173.8	0	112.3	P146 V148 I152 I153 D154 L185	P146-K150 WeakPolarHBondContact O-CB 3.47Å; P146-K150 PolarHBondContact O-N 2.78Å; V148-K150 VanDerWaalsContact C-N 3.34Å; V148-K150 PolarHBondContact O-N 3.43Å; K150-I152 PolarHBondContact O-N 3.09Å; K150-I153 PolarHBondContact O-N 2.88Å; K150-I153 VanDerWaalsContact O-N 3.13Å; K150-D154 WeakPolarHBondContact CG-OD2 3.22Å; K150-D154 WeakPolarHBondContact O-CB 3.03Å; K150-D154 VanDerWaalsContact O-CG 3.25Å; K150-D154 PolarHBondContact O-N 2.82Å; K150-L185 HydrophobicContact CB-CD1 4.27Å
151	S	95.5	Very high	91.7	Very high	45 Å²	45	38.7 Å²	38.7	32%	0.315	21%	0.206	S	C	.	.	H	α-helix	trans	-60	-30.1	178	78.3	0	0	0	0	113.8	R127 P147 V148 A149	R127-S151 VanDerWaalsContact NH1-C 3.32Å; R127-S151 PolarHBondContact NH1-O 3.22Å; R127-S151 VanDerWaalsContact NH1-O 3.14Å; R127-S151 PolarHBondContact NH1-OG 3.08Å; P147-S151 WeakPolarHBondContact O-CB 3.5Å; P147-S151 PolarHBondContact O-N 2.77Å; V148-S151 PolarHBondContact O-N 3Å; V148-S151 PolarHBondContact O-OG 3.31Å; A149-S151 PolarHBondContact O-N 2.84Å
152	I	95.9	Very high	92.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-79.4	-44.3	176.8	-66.4	168.8	0	0	0	109	W113 F120 V124 R127 V148 A149 K150 D154 E155 Y156 L159 F182	W113-I152 HydrophobicContact CE3-CG2 3.98Å; W113-I152 HydrophobicContact CZ3-CD1 4.48Å; W113-I152 HydrophobicContact CZ3-CG1 4.49Å; W113-I152 HydrophobicContact CZ3-CG2 3.8Å; F120-I152 HydrophobicContact CE2-CD1 4.27Å; V124-I152 HydrophobicContact CG2-CD1 4.01Å; R127-I152 VanDerWaalsContact NH1-CG1 3.28Å; V148-I152 HydrophobicContact CG1-CD1 4.05Å; V148-I152 WeakPolarHBondContact O-CG1 2.96Å; V148-I152 PolarHBondContact O-N 2.77Å; V148-I152 VanDerWaalsContact O-N 3.1Å; A149-I152 PolarHBondContact O-N 2.89Å; A149-I152 VanDerWaalsContact O-N 3.14Å; K150-I152 PolarHBondContact O-N 3.09Å; I152-D154 PolarHBondContact O-N 3.41Å; I152-E155 PolarHBondContact O-N 2.94Å; I152-E155 VanDerWaalsContact O-N 3.14Å; I152-Y156 HydrophobicContact CG2-CD2 4.29Å; I152-Y156 PolarHBondContact O-N 3.21Å; I152-L159 HydrophobicContact CG2-CD2 4.26Å; I152-F182 HydrophobicContact CB-CE1 3.98Å; I152-F182 HydrophobicContact CB-CZ 4.28Å; I152-F182 HydrophobicContact CD1-CE1 4.14Å; I152-F182 HydrophobicContact CD1-CZ 3.84Å; I152-F182 HydrophobicContact CG2-CE1 4.03Å; I152-F182 HydrophobicContact CG2-CZ 4Å
153	I	94.7	Very high	93.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-74.5	-24.8	-176.1	-59.8	-48.8	0	0	0	113.5	A149 K150 E155 Y156 K157 L159 F182 L185 A187	A149-I153 WeakPolarHBondContact O-CG1 3.49Å; A149-I153 PolarHBondContact O-N 2.86Å; K150-I153 PolarHBondContact O-N 2.88Å; K150-I153 VanDerWaalsContact O-N 3.13Å; I153-E155 PolarHBondContact O-N 3.39Å; I153-Y156 VanDerWaalsContact CA-O 3.32Å; I153-Y156 WeakPolarHBondContact CA-O 3.28Å; I153-Y156 WeakPolarHBondContact CD1-O 3.47Å; I153-K157 HydrophobicContact CG2-CD 3.97Å; I153-K157 WeakPolarHBondContact O-CD 3.26Å; I153-K157 WeakPolarHBondContact O-CE 3.21Å; I153-K157 PolarHBondContact O-NZ 3.07Å; I153-L159 HydrophobicContact CD1-CD1 4.03Å; I153-F182 HydrophobicContact CD1-CB 4.23Å; I153-F182 HydrophobicContact CD1-CD1 3.58Å; I153-F182 HydrophobicContact CD1-CE1 4.01Å; I153-F182 HydrophobicContact CD1-CG 4Å; I153-F182 HydrophobicContact CG1-CB 4.47Å; I153-F182 HydrophobicContact CG1-CD1 3.51Å; I153-F182 HydrophobicContact CG1-CE1 4.04Å; I153-F182 HydrophobicContact CG1-CG 4.28Å; I153-L185 HydrophobicContact CB-CB 4.21Å; I153-L185 HydrophobicContact CB-CD1 4.14Å; I153-L185 HydrophobicContact CG1-CB 4.28Å; I153-L185 HydrophobicContact CG1-CD1 4.15Å; I153-L185 HydrophobicContact CG2-CB 3.72Å; I153-A187 HydrophobicContact CD1-CB 3.4Å; I153-A187 VanDerWaalsContact CD1-CB 3.4Å; I153-A187 HydrophobicContact CG1-CB 4.21Å
154	D	92.9	Very high	93.6	Very high	107 Å²	107	29.6 Å²	29.6	57%	0.572	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.8	170.7	-72	-15.7	0	0	0	111.5	K150 I152	K150-D154 WeakPolarHBondContact CG-OD2 3.22Å; K150-D154 WeakPolarHBondContact O-CB 3.03Å; K150-D154 VanDerWaalsContact O-CG 3.25Å; K150-D154 PolarHBondContact O-N 2.82Å; I152-D154 PolarHBondContact O-N 3.41Å
155	E	93.1	Very high	93.4	Very high	86 Å²	86	31.8 Å²	31.8	40%	0.402	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-38.6	179	-164.2	-178.6	173.7	0	0	112.1	R127 I152 I153	R127-E155 IonicContact CZ-OE2 2.99Å; R127-E155 IonicContact NH1-OE2 2.7Å; R127-E155 IonicContact NH2-OE2 3.69Å; R127-E155 PolarHBondContact NH2-OE2 2.95Å; I152-E155 PolarHBondContact O-N 2.94Å; I152-E155 VanDerWaalsContact O-N 3.14Å; I153-E155 PolarHBondContact O-N 3.39Å
156	Y	95	Very high	93.1	Very high	48 Å²	48	31.7 Å²	31.7	19%	0.188	16%	0.161	C	C	.	.			trans	-137.2	123.6	-171.4	-49.2	-70.5	0	0	0	111.8	K112 W113 I152 I153	K112-Y156 WeakPolarHBondContact O-CD1 3.37Å; W113-Y156 HydrophobicContact CB-CD1 3.59Å; W113-Y156 HydrophobicContact CB-CD2 3.95Å; W113-Y156 HydrophobicContact CB-CE1 4.01Å; W113-Y156 HydrophobicContact CB-CE2 4.36Å; W113-Y156 HydrophobicContact CB-CG 3.53Å; W113-Y156 AromaticContact CD2-CD2 3.94Å; W113-Y156 HydrophobicContact CD2-CD2 3.94Å; W113-Y156 AromaticContact CD2-CE2 3.92Å; W113-Y156 HydrophobicContact CD2-CE2 3.92Å; W113-Y156 HydrophobicContact CD2-CG 4.45Å; W113-Y156 AromaticContact CE3-CD2 3.6Å; W113-Y156 HydrophobicContact CE3-CD2 3.6Å; W113-Y156 AromaticContact CE3-CE2 3.86Å; W113-Y156 HydrophobicContact CE3-CE2 3.86Å; W113-Y156 HydrophobicContact CE3-CG 4.32Å; W113-Y156 HydrophobicContact CG-CD1 4.29Å; W113-Y156 HydrophobicContact CG-CD2 4.12Å; W113-Y156 HydrophobicContact CG-CE1 4.29Å; W113-Y156 HydrophobicContact CG-CE2 4.15Å; W113-Y156 HydrophobicContact CG-CG 4.18Å; W113-Y156 HydrophobicContact CZ3-CD2 4.42Å; W113-Y156 HydrophobicContact CZ3-CE2 4.5Å; I152-Y156 HydrophobicContact CG2-CD2 4.29Å; I152-Y156 PolarHBondContact O-N 3.21Å; I153-Y156 VanDerWaalsContact CA-O 3.32Å; I153-Y156 WeakPolarHBondContact CA-O 3.28Å; I153-Y156 WeakPolarHBondContact CD1-O 3.47Å
157	K	91.5	Very high	92.2	Very high	56 Å²	56	33.9 Å²	33.9	24%	0.243	17%	0.174	C	C	.	.	S	Bend	trans	-97.4	-35.1	178.1	-61.1	-57.2	-175.3	-166.5	0	113	Y68 C111 I153 A187 V188	Y68-K157 HydrophobicContact CD1-CB 4.24Å; Y68-K157 HydrophobicContact CD1-CG 4.23Å; Y68-K157 HydrophobicContact CE1-CB 3.61Å; Y68-K157 HydrophobicContact CE1-CD 4.14Å; Y68-K157 HydrophobicContact CE1-CG 3.85Å; Y68-K157 HydrophobicContact CE2-CB 4.05Å; Y68-K157 PolarHBondContact OH-O 3.27Å; C111-K157 HydrophobicContact CB-CB 4.41Å; C111-K157 HydrophobicContact CB-CG 4.07Å; C111-K157 PolarHBondContact O-N 3.02Å; I153-K157 HydrophobicContact CG2-CD 3.97Å; I153-K157 WeakPolarHBondContact O-CD 3.26Å; I153-K157 WeakPolarHBondContact O-CE 3.21Å; I153-K157 PolarHBondContact O-NZ 3.07Å; K157-A187 VanDerWaalsContact O-CA 3.32Å; K157-A187 WeakPolarHBondContact O-CA 3.39Å; K157-V188 PolarHBondContact O-N 2.83Å
158	L	95.7	Very high	91.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.3	172.5	174.9	64.4	0	0	0	109.9	L64 F103 C107 L109 C111 K112 W113 V188 V190	L64-L158 HydrophobicContact CD1-CD1 4.14Å; L64-L158 HydrophobicContact CD1-CD2 4.28Å; F103-L158 HydrophobicContact CE1-CD1 4.19Å; F103-L158 HydrophobicContact CE1-CD2 3.84Å; F103-L158 HydrophobicContact CZ-CD1 4.22Å; F103-L158 HydrophobicContact CZ-CD2 3.97Å; C107-L158 HydrophobicContact CB-CD2 4.21Å; L109-L158 HydrophobicContact CD1-CB 4.11Å; L109-L158 HydrophobicContact CD1-CD2 4.46Å; C111-L158 PolarHBondContact O-N 3.27Å; K112-L158 CarbonylContact C-O 3.57Å; K112-L158 WeakPolarHBondContact CA-O 3.39Å; K112-L158 HydrophobicContact CB-CB 3.9Å; K112-L158 HydrophobicContact CB-CD2 4.1Å; K112-L158 HydrophobicContact CB-CG 4.29Å; W113-L158 PolarHBondContact N-O 3.42Å; L158-V188 HydrophobicContact CD1-CB 4.42Å; L158-V188 HydrophobicContact CD1-CG1 4.47Å; L158-V190 HydrophobicContact CD1-CG2 4.25Å
159	L	97.1	Very high	90.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.1	179.3	-55	178.2	0	0	0	109.6	W113 I152 I153 F161 F182 V188 V189 V190	W113-L159 HydrophobicContact CB-CD2 4.15Å; W113-L159 HydrophobicContact CE3-CD2 4.07Å; I152-L159 HydrophobicContact CG2-CD2 4.26Å; I153-L159 HydrophobicContact CD1-CD1 4.03Å; L159-F161 HydrophobicContact CB-CE2 3.77Å; L159-F161 HydrophobicContact CB-CZ 3.75Å; L159-F161 HydrophobicContact CD1-CE2 4.34Å; L159-F161 HydrophobicContact CD1-CZ 4.04Å; L159-F161 HydrophobicContact CG-CZ 4.42Å; L159-F182 HydrophobicContact CD1-CD2 3.59Å; L159-F182 HydrophobicContact CD1-CE2 3.66Å; L159-F182 HydrophobicContact CD1-CG 4.13Å; L159-F182 HydrophobicContact CD1-CZ 4.24Å; L159-V188 PolarHBondContact N-O 3.01Å; L159-V189 HydrophobicContact CB-CG2 4.31Å; L159-V189 HydrophobicContact CD1-CG2 4.45Å; L159-V189 CarbonylContact O-C 3.55Å; L159-V189 WeakPolarHBondContact O-CA 3.33Å; L159-V190 PolarHBondContact O-N 3.44Å
160	C	97.4	Very high	89.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110	178	-66.1	0	0	0	0	110.3	M100 Y104 W113 R114 T115 V190	M100-C160 HydrophobicContact CG-CB 4.29Å; M100-C160 HydrophobicContact SD-CB 3.91Å; Y104-C160 HydrophobicContact CD2-CB 4.19Å; W113-C160 PolarHBondContact O-N 3.16Å; R114-C160 CarbonylContact C-O 3.58Å; R114-C160 WeakPolarHBondContact CA-O 3.1Å; R114-C160 HydrophobicContact CB-CB 4.07Å; R114-C160 HydrophobicContact CG-CB 3.96Å; T115-C160 PolarHBondContact N-O 2.93Å; C160-V190 CarbonylContact C-O 3.49Å; C160-V190 WeakPolarHBondContact CA-O 3.46Å
161	F	96.9	Very high	88.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.2	-178.4	-59.8	-59.5	0	0	0	111.6	T115 F117 F120 L159 F164 F179 V189 V190 A191 T192	T115-F161 HydrophobicContact CG2-CD1 4.17Å; T115-F161 HydrophobicContact CG2-CE1 4.31Å; T115-F161 WeakPolarHBondContact O-CA 3Å; F117-F161 HydrophobicContact CD2-CB 4.48Å; F117-F161 HydrophobicContact CD2-CD1 4.37Å; F117-F161 HydrophobicContact CD2-CG 4.33Å; F120-F161 HydrophobicContact CB-CD1 4.18Å; F120-F161 HydrophobicContact CB-CE1 3.85Å; F120-F161 AromaticContact CD1-CE1 3.92Å; F120-F161 HydrophobicContact CD1-CE1 3.92Å; F120-F161 HydrophobicContact CD1-CZ 4.31Å; F120-F161 AromaticContact CD2-CE1 3.49Å; F120-F161 HydrophobicContact CD2-CE1 3.49Å; F120-F161 VanDerWaalsContact CD2-CE1 3.49Å; F120-F161 AromaticContact CD2-CZ 3.96Å; F120-F161 HydrophobicContact CD2-CZ 3.96Å; F120-F161 HydrophobicContact CE1-CE1 4.34Å; F120-F161 HydrophobicContact CE1-CZ 4.27Å; F120-F161 AromaticContact CE2-CE1 3.95Å; F120-F161 HydrophobicContact CE2-CE1 3.95Å; F120-F161 AromaticContact CE2-CZ 3.92Å; F120-F161 HydrophobicContact CE2-CZ 3.92Å; F120-F161 HydrophobicContact CG-CD1 4.2Å; F120-F161 AromaticContact CG-CE1 3.47Å; F120-F161 HydrophobicContact CG-CE1 3.47Å; F120-F161 VanDerWaalsContact CG-CE1 3.47Å; F120-F161 HydrophobicContact CG-CZ 4.15Å; F120-F161 HydrophobicContact CZ-CE1 4.34Å; F120-F161 HydrophobicContact CZ-CZ 4.07Å; L159-F161 HydrophobicContact CB-CE2 3.77Å; L159-F161 HydrophobicContact CB-CZ 3.75Å; L159-F161 HydrophobicContact CD1-CE2 4.34Å; L159-F161 HydrophobicContact CD1-CZ 4.04Å; L159-F161 HydrophobicContact CG-CZ 4.42Å; F161-F164 HydrophobicContact CB-CD2 3.83Å; F161-F164 HydrophobicContact CD2-CD2 4.09Å; F161-F164 HydrophobicContact CD2-CE2 4.05Å; F161-F164 HydrophobicContact CG-CD2 4.17Å; F161-F164 HydrophobicContact CG-CE2 4.44Å; F161-F179 HydrophobicContact CD2-CZ 4.19Å; F161-F179 HydrophobicContact CE2-CE1 4.02Å; F161-F179 AromaticContact CE2-CZ 3.55Å; F161-F179 HydrophobicContact CE2-CZ 3.55Å; F161-F179 HydrophobicContact CZ-CZ 4.16Å; F161-V189 HydrophobicContact CD2-CG1 3.8Å; F161-V189 HydrophobicContact CE2-CG1 4Å; F161-V189 HydrophobicContact CE2-CG2 4.34Å; F161-V190 PolarHBondContact N-O 2.94Å; F161-A191 HydrophobicContact CB-CB 4.28Å; F161-A191 CarbonylContact O-C 3.56Å; F161-A191 VanDerWaalsContact O-CA 3.22Å; F161-A191 WeakPolarHBondContact O-CA 3.39Å; F161-T192 PolarHBondContact O-N 3.26Å
162	D	91.7	Very high	87.9	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	145.2	169.5	-159.2	28	0	0	0	111	T97 M100 R114 T115 H116 F117 T192	T97-D162 VanDerWaalsContact CG2-OD2 3.26Å; T97-D162 WeakPolarHBondContact CG2-OD2 3.34Å; T97-D162 PolarHBondContact OG1-OD1 2.79Å; M100-D162 HydrophobicContact CE-CB 3.6Å; R114-D162 IonicContact CZ-OD2 2.67Å; R114-D162 IonicContact NH1-OD2 3.25Å; R114-D162 VanDerWaalsContact NH2-CB 3.29Å; R114-D162 IonicContact NH2-OD1 3.95Å; R114-D162 IonicContact NH2-OD2 3.77Å; R114-D162 PolarHBondContact NH2-OD2 3.18Å; T115-D162 PolarHBondContact O-N 2.85Å; H116-D162 WeakPolarHBondContact CA-O 3.5Å; H116-D162 IonicContact CE1-OD2 3.57Å; H116-D162 PolarHBondContact CE1-OD2 3.3Å; H116-D162 IonicContact ND1-OD2 3.78Å; F117-D162 PolarHBondContact N-O 2.77Å; D162-T192 VanDerWaalsContact CA-OG1 3.31Å; D162-T192 WeakPolarHBondContact CA-OG1 3.42Å; D162-T192 PolarHBondContact OD1-OG1 2.92Å
163	E	87.8	Confident	87	Confident	43 Å²	43	38.3 Å²	38.3	20%	0.201	20%	0.201	C	C	.	.	S	Bend	trans	53.1	53.2	179.4	-52.7	-159.9	141.9	0	0	113.3	Q165 T192 R424	E163-Q165 PolarHBondContact O-N 3.35Å; E163-T192 PolarHBondContact N-O 2.86Å; E163-T192 PolarHBondContact N-OG1 3.38Å; E163-T192 VanDerWaalsContact N-OG1 3.13Å; E163-R424 IonicContact OE1-CZ 3.82Å; E163-R424 IonicContact OE1-NH1 3.96Å; E163-R424 PolarHBondContact OE1-NH1 2.95Å; E163-R424 IonicContact OE2-CZ 3.08Å; E163-R424 IonicContact OE2-NH1 3.22Å; E163-R424 PolarHBondContact OE2-NH1 3.49Å
164	F	92.4	Very high	86.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.			trans	-64.3	91.9	178.6	-161.8	-78.8	0	0	0	111.7	Y87 F117 F161 V166 F179 A191 T192 S193 L200 F213	Y87-F164 HydrophobicContact CE2-CB 4.22Å; Y87-F164 HydrophobicContact CE2-CD1 4.05Å; Y87-F164 HydrophobicContact CE2-CG 4.17Å; F117-F164 AromaticContact CD2-CD2 3.4Å; F117-F164 HydrophobicContact CD2-CD2 3.4Å; F117-F164 VanDerWaalsContact CD2-CD2 3.4Å; F117-F164 AromaticContact CD2-CE2 3.42Å; F117-F164 HydrophobicContact CD2-CE2 3.42Å; F117-F164 VanDerWaalsContact CD2-CE2 3.42Å; F117-F164 HydrophobicContact CD2-CG 4.12Å; F117-F164 HydrophobicContact CD2-CZ 4.12Å; F117-F164 AromaticContact CE2-CD2 3.64Å; F117-F164 HydrophobicContact CE2-CD2 3.64Å; F117-F164 HydrophobicContact CE2-CE1 4.22Å; F117-F164 AromaticContact CE2-CE2 3.13Å; F117-F164 HydrophobicContact CE2-CE2 3.13Å; F117-F164 HydrophobicContact CE2-CG 4.37Å; F117-F164 AromaticContact CE2-CZ 3.45Å; F117-F164 HydrophobicContact CE2-CZ 3.45Å; F117-F164 VanDerWaalsContact CE2-CZ 3.45Å; F117-F164 HydrophobicContact CG-CD2 4.07Å; F117-F164 HydrophobicContact CG-CE2 4.4Å; F117-F164 HydrophobicContact CG-CG 4.39Å; F117-F164 HydrophobicContact CZ-CD2 4.44Å; F117-F164 HydrophobicContact CZ-CE1 4.22Å; F117-F164 AromaticContact CZ-CE2 3.93Å; F117-F164 HydrophobicContact CZ-CE2 3.93Å; F117-F164 AromaticContact CZ-CZ 3.78Å; F117-F164 HydrophobicContact CZ-CZ 3.78Å; F161-F164 HydrophobicContact CB-CD2 3.83Å; F161-F164 HydrophobicContact CD2-CD2 4.09Å; F161-F164 HydrophobicContact CD2-CE2 4.05Å; F161-F164 HydrophobicContact CG-CD2 4.17Å; F161-F164 HydrophobicContact CG-CE2 4.44Å; F164-V166 HydrophobicContact CE1-CG2 4.19Å; F164-F179 HydrophobicContact CE2-CE1 4.09Å; F164-F179 AromaticContact CE2-CZ 3.69Å; F164-F179 HydrophobicContact CE2-CZ 3.69Å; F164-F179 HydrophobicContact CZ-CE1 4.29Å; F164-F179 AromaticContact CZ-CZ 4Å; F164-F179 HydrophobicContact CZ-CZ 4Å; F164-A191 HydrophobicContact CB-CB 4.17Å; F164-A191 HydrophobicContact CD2-CB 4.11Å; F164-A191 HydrophobicContact CG-CB 4.33Å; F164-T192 WeakPolarHBondContact CB-O 3.42Å; F164-T192 PolarHBondContact N-O 3.08Å; F164-S193 PolarHBondContact O-OG 3.26Å; F164-L200 HydrophobicContact CD1-CD1 4.04Å; F164-L200 HydrophobicContact CD1-CD2 3.99Å; F164-L200 HydrophobicContact CE1-CD1 4.01Å; F164-L200 WeakPolarHBondContact O-CD2 3.43Å; F164-F213 HydrophobicContact CE1-CE1 4.12Å; F164-F213 HydrophobicContact CE1-CZ 4.23Å; F164-F213 HydrophobicContact CZ-CE1 4.17Å; F164-F213 AromaticContact CZ-CZ 3.84Å; F164-F213 HydrophobicContact CZ-CZ 3.84Å
165	Q	85.1	Confident	86.5	Confident	52 Å²	52	34.1 Å²	34.1	24%	0.243	18%	0.178	C	C	.	.			trans	-132.1	134.4	-179	-60.7	-176.3	20.9	0	0	110.5	F117 E163	F117-Q165 WeakPolarHBondContact CD1-O 3.39Å; F117-Q165 WeakPolarHBondContact CE1-O 3.47Å; E163-Q165 PolarHBondContact O-N 3.35Å
166	V	83.9	Confident	86.1	Confident	8 Å²	8	33 Å²	33	5%	0.048	17%	0.172	C	C	.	.			trans	-119.3	115.4	-180	-175.1	0	0	0	0	108.1	F117 F164 A172 L175 Y201 F210	F117-V166 HydrophobicContact CE1-CG2 3.82Å; F117-V166 HydrophobicContact CZ-CG2 4.01Å; F164-V166 HydrophobicContact CE1-CG2 4.19Å; V166-A172 HydrophobicContact CG1-CB 3.96Å; V166-L175 HydrophobicContact CB-CD1 4.37Å; V166-L175 HydrophobicContact CG1-CD1 3.92Å; V166-L175 HydrophobicContact CG2-CD1 3.46Å; V166-L175 VanDerWaalsContact CG2-CD1 3.46Å; V166-Y201 HydrophobicContact CG1-CD2 4.13Å; V166-Y201 HydrophobicContact CG1-CG 4.31Å; V166-Y201 WeakPolarHBondContact O-CA 3.41Å; V166-Y201 PolarHBondContact O-N 3.5Å; V166-F210 HydrophobicContact CB-CZ 4.21Å; V166-F210 HydrophobicContact CG1-CE2 4.19Å; V166-F210 HydrophobicContact CG1-CZ 4.27Å; V166-F210 HydrophobicContact CG2-CE2 4.4Å; V166-F210 HydrophobicContact CG2-CZ 4Å
167	T	74.2	Confident	85.8	Confident	92 Å²	92	35.9 Å²	35.9	56%	0.564	18%	0.183	S	C	*	.			trans	-117.4	-24.5	179.7	52.9	0	0	0	0	112.4	Y201	T167-Y201 WeakPolarHBondContact O-CE2 3.27Å
168	D	74.5	Confident	85.9	Confident	73 Å²	73	33.2 Å²	33.2	39%	0.39	17%	0.171	S	C	.	.			trans	-98	140.3	-177	-176.8	-90.6	0	0	0	112.7	A170 D171 A172	D168-A170 VanDerWaalsContact OD1-CA 3.3Å; D168-A170 WeakPolarHBondContact OD1-CA 3.21Å; D168-A170 WeakPolarHBondContact OD1-CB 3.33Å; D168-A170 PolarHBondContact OD1-N 3.4Å; D168-D171 HydrophobicContact CB-CB 4.15Å; D168-D171 PolarHBondContact OD1-N 3.36Å; D168-D171 VanDerWaalsContact OD1-N 3.07Å; D168-A172 WeakPolarHBondContact O-CB 3.5Å; D168-A172 PolarHBondContact O-N 2.97Å
169	I	73.9	Confident	85.9	Confident	50 Å²	50	33.2 Å²	33.2	26%	0.256	17%	0.171	S	C	.	.	H	α-helix	trans	-69.7	-37.5	-179.6	-169.8	165.8	0	0	0	112.9	D171 A172 M173 Y201 L205 Q206	I169-D171 VanDerWaalsContact C-N 3.31Å; I169-A172 WeakPolarHBondContact O-CB 3.32Å; I169-A172 PolarHBondContact O-N 2.95Å; I169-M173 WeakPolarHBondContact O-CG 3.28Å; I169-M173 PolarHBondContact O-N 3.22Å; I169-Y201 WeakPolarHBondContact CA-OH 3.36Å; I169-Y201 WeakPolarHBondContact CB-OH 3.4Å; I169-Y201 WeakPolarHBondContact CG1-OH 3.47Å; I169-L205 HydrophobicContact CD1-CB 3.93Å; I169-L205 HydrophobicContact CD1-CD2 3.9Å; I169-L205 HydrophobicContact CD1-CG 3.88Å; I169-L205 VanDerWaalsContact CD1-O 3.3Å; I169-L205 WeakPolarHBondContact CD1-O 3.44Å; I169-Q206 HydrophobicContact CD1-CB 4.14Å; I169-Q206 HydrophobicContact CD1-CG 4.23Å
170	A	72.1	Confident	85.7	Confident	45 Å²	45	36.4 Å²	36.4	37%	0.372	19%	0.186	S	C	.	.	H	α-helix	trans	-66.4	-40.1	179.1	0	0	0	0	0	110	D168 M173 I174	D168-A170 VanDerWaalsContact OD1-CA 3.3Å; D168-A170 WeakPolarHBondContact OD1-CA 3.21Å; D168-A170 WeakPolarHBondContact OD1-CB 3.33Å; D168-A170 PolarHBondContact OD1-N 3.4Å; A170-M173 PolarHBondContact O-N 3.34Å; A170-I174 WeakPolarHBondContact O-CD1 3.41Å; A170-I174 VanDerWaalsContact O-CG1 3.28Å; A170-I174 WeakPolarHBondContact O-CG1 3.42Å; A170-I174 PolarHBondContact O-N 2.71Å; A170-I174 VanDerWaalsContact O-N 3.12Å
171	D	81.1	Confident	85.5	Confident	20 Å²	20	38.3 Å²	38.3	11%	0.107	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-50.3	171.6	-74.4	-6.5	0	0	0	111.1	M121 H125 D168 I169 M173 I174 L175	M121-D171 HydrophobicContact CE-CB 3.8Å; M121-D171 VanDerWaalsContact CE-OD1 3.22Å; M121-D171 WeakPolarHBondContact CE-OD1 3.37Å; H125-D171 IonicContact CD2-OD1 2.74Å; H125-D171 IonicContact CE1-OD1 3.76Å; H125-D171 IonicContact NE2-OD1 3.81Å; H125-D171 PolarHBondContact NE2-OD1 2.94Å; D168-D171 HydrophobicContact CB-CB 4.15Å; D168-D171 PolarHBondContact OD1-N 3.36Å; D168-D171 VanDerWaalsContact OD1-N 3.07Å; I169-D171 VanDerWaalsContact C-N 3.31Å; D171-M173 VanDerWaalsContact C-N 3.26Å; D171-M173 PolarHBondContact O-N 2.74Å; D171-I174 PolarHBondContact O-N 3.32Å; D171-I174 VanDerWaalsContact O-N 3.08Å; D171-L175 HydrophobicContact CB-CD1 4.5Å; D171-L175 WeakPolarHBondContact O-CB 3.21Å; D171-L175 WeakPolarHBondContact O-CD1 3.33Å; D171-L175 WeakPolarHBondContact O-CG 3.1Å; D171-L175 PolarHBondContact O-N 2.97Å
172	A	78.2	Confident	85.5	Confident	5 Å²	5	38.3 Å²	38.3	4%	0.041	20%	0.196	C	C	.	.	H	α-helix	trans	-53.3	-42.1	178.2	0	0	0	0	0	112.8	V166 D168 I169 Y201 F210	V166-A172 HydrophobicContact CG1-CB 3.96Å; D168-A172 WeakPolarHBondContact O-CB 3.5Å; D168-A172 PolarHBondContact O-N 2.97Å; I169-A172 WeakPolarHBondContact O-CB 3.32Å; I169-A172 PolarHBondContact O-N 2.95Å; A172-Y201 HydrophobicContact CB-CD1 4.05Å; A172-Y201 HydrophobicContact CB-CE1 3.98Å; A172-Y201 HydrophobicContact CB-CE2 4.49Å; A172-Y201 HydrophobicContact CB-CG 4.35Å; A172-F210 HydrophobicContact CB-CD2 3.54Å; A172-F210 HydrophobicContact CB-CE2 3.97Å; A172-F210 HydrophobicContact CB-CG 4.25Å
173	M	78.6	Confident	85.7	Confident	114 Å²	114	38.8 Å²	38.8	56%	0.562	20%	0.198	S	C	*	.	H	α-helix	trans	-69.6	-36.5	178.6	-69.9	-179.6	72.8	0	0	113.2	I169 A170 D171	I169-M173 WeakPolarHBondContact O-CG 3.28Å; I169-M173 PolarHBondContact O-N 3.22Å; A170-M173 PolarHBondContact O-N 3.34Å; D171-M173 VanDerWaalsContact C-N 3.26Å; D171-M173 PolarHBondContact O-N 2.74Å
174	I	85.7	Confident	85.9	Confident	20 Å²	20	43.1 Å²	43.1	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	-72	-42.2	178.7	-68.1	163.9	0	0	0	110.3	M121 V124 H125 L128 I145 A170 D171 K176 R177 L178	M121-I174 HydrophobicContact CE-CB 4.45Å; M121-I174 HydrophobicContact CE-CG2 4.35Å; V124-I174 HydrophobicContact CG1-CG2 4.16Å; H125-I174 VanDerWaalsContact CE1-CD1 3.42Å; H125-I174 WeakPolarHBondContact CE1-CD1 3.22Å; L128-I174 HydrophobicContact CD1-CD1 3.89Å; L128-I174 HydrophobicContact CD1-CG1 4.42Å; L128-I174 HydrophobicContact CD1-CG2 4.15Å; I145-I174 HydrophobicContact CD1-CG2 4.48Å; A170-I174 WeakPolarHBondContact O-CD1 3.41Å; A170-I174 VanDerWaalsContact O-CG1 3.28Å; A170-I174 WeakPolarHBondContact O-CG1 3.42Å; A170-I174 PolarHBondContact O-N 2.71Å; A170-I174 VanDerWaalsContact O-N 3.12Å; D171-I174 PolarHBondContact O-N 3.32Å; D171-I174 VanDerWaalsContact O-N 3.08Å; I174-K176 PolarHBondContact O-N 3.43Å; I174-R177 PolarHBondContact O-N 3.3Å; I174-L178 HydrophobicContact CG2-CB 4.35Å; I174-L178 HydrophobicContact CG2-CD2 4.33Å; I174-L178 VanDerWaalsContact O-CB 3.26Å; I174-L178 WeakPolarHBondContact O-CB 3.07Å; I174-L178 PolarHBondContact O-N 3.34Å
175	L	89.6	Confident	86	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-45.4	-170.6	-78.1	165	0	0	0	113.4	F117 F120 M121 V166 D171 R177 L178 F179 F210	F117-L175 HydrophobicContact CE1-CD1 4.26Å; F117-L175 HydrophobicContact CE2-CD2 3.81Å; F117-L175 HydrophobicContact CZ-CD1 3.6Å; F117-L175 HydrophobicContact CZ-CD2 3.5Å; F117-L175 VanDerWaalsContact CZ-CD2 3.5Å; F117-L175 HydrophobicContact CZ-CG 4.14Å; F120-L175 HydrophobicContact CE1-CD2 4.39Å; M121-L175 HydrophobicContact CE-CD2 4.45Å; M121-L175 HydrophobicContact CE-CG 4.35Å; M121-L175 HydrophobicContact SD-CD2 3.63Å; M121-L175 HydrophobicContact SD-CG 4.13Å; V166-L175 HydrophobicContact CB-CD1 4.37Å; V166-L175 HydrophobicContact CG1-CD1 3.92Å; V166-L175 HydrophobicContact CG2-CD1 3.46Å; V166-L175 VanDerWaalsContact CG2-CD1 3.46Å; D171-L175 HydrophobicContact CB-CD1 4.5Å; D171-L175 WeakPolarHBondContact O-CB 3.21Å; D171-L175 WeakPolarHBondContact O-CD1 3.33Å; D171-L175 WeakPolarHBondContact O-CG 3.1Å; D171-L175 PolarHBondContact O-N 2.97Å; L175-R177 PolarHBondContact O-N 2.96Å; L175-L178 PolarHBondContact O-N 2.94Å; L175-F179 HydrophobicContact CD2-CD2 3.97Å; L175-F179 HydrophobicContact CD2-CE2 3.53Å; L175-F179 HydrophobicContact CD2-CZ 4.44Å; L175-F179 WeakPolarHBondContact O-CB 3.21Å; L175-F179 WeakPolarHBondContact O-CD2 3.31Å; L175-F179 PolarHBondContact O-N 2.8Å; L175-F210 HydrophobicContact CD1-CE2 4.36Å
176	K	85	Confident	86.3	Confident	64 Å²	64	44.3 Å²	44.3	28%	0.278	23%	0.232	S	C	.	.	H	α-helix	trans	-51.2	-58	178.5	-177.4	-176.1	170.7	-174.9	0	110.7	I174 L178 F179 E180 P212 F213	I174-K176 PolarHBondContact O-N 3.43Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 2.94Å; K176-F179 PolarHBondContact O-N 2.66Å; K176-E180 WeakPolarHBondContact CE-OE1 3.2Å; K176-E180 WeakPolarHBondContact O-CB 3.33Å; K176-E180 VanDerWaalsContact O-CG 3.26Å; K176-E180 WeakPolarHBondContact O-CG 3.09Å; K176-E180 PolarHBondContact O-N 2.71Å; K176-P212 HydrophobicContact CD-CB 4.24Å; K176-F213 HydrophobicContact CB-CB 3.92Å; K176-F213 HydrophobicContact CG-CB 4.13Å
177	R	89.5	Confident	86.8	Confident	107 Å²	107	44 Å²	44	40%	0.404	23%	0.23	S	C	.	.	H	α-helix	trans	-67.9	-37.5	-175.5	-59.6	-175.4	71.6	-154.1	6.3	111.6	D143 I145 I174 L175 N181	D143-R177 IonicContact OD1-CZ 2.96Å; D143-R177 IonicContact OD1-NH1 3.97Å; D143-R177 PolarHBondContact OD1-NH1 3.14Å; D143-R177 IonicContact OD1-NH2 2.88Å; D143-R177 IonicContact OD2-CZ 3.09Å; D143-R177 IonicContact OD2-NH1 3.12Å; D143-R177 PolarHBondContact OD2-NH1 3.48Å; D143-R177 VanDerWaalsContact OD2-NH1 3.12Å; D143-R177 IonicContact OD2-NH2 2.58Å; D143-R177 PolarHBondContact OD2-NH2 3.49Å; I145-R177 HydrophobicContact CD1-CB 3.93Å; I145-R177 HydrophobicContact CG2-CB 4.05Å; I174-R177 PolarHBondContact O-N 3.3Å; L175-R177 PolarHBondContact O-N 2.96Å; R177-N181 PolarHBondContact O-N 3.38Å; R177-N181 VanDerWaalsContact O-N 3.12Å; R177-N181 PolarHBondContact O-ND2 2.96Å
178	L	93.6	Very high	87.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-47.2	179.6	-174.9	63.6	0	0	0	111.3	F120 V124 I145 A149 I174 L175 K176 N181 F182	F120-L178 HydrophobicContact CE1-CD2 3.99Å; F120-L178 HydrophobicContact CZ-CD2 3.57Å; V124-L178 HydrophobicContact CG1-CD2 3.87Å; V124-L178 HydrophobicContact CG2-CD2 3.86Å; I145-L178 HydrophobicContact CG2-CB 4.28Å; I145-L178 HydrophobicContact CG2-CD1 4.28Å; A149-L178 HydrophobicContact CB-CD1 3.89Å; I174-L178 HydrophobicContact CG2-CB 4.35Å; I174-L178 HydrophobicContact CG2-CD2 4.33Å; I174-L178 VanDerWaalsContact O-CB 3.26Å; I174-L178 WeakPolarHBondContact O-CB 3.07Å; I174-L178 PolarHBondContact O-N 3.34Å; L175-L178 PolarHBondContact O-N 2.94Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 2.94Å; L178-N181 PolarHBondContact O-N 3.36Å; L178-F182 HydrophobicContact CD1-CD1 4.45Å; L178-F182 HydrophobicContact CD1-CE1 3.75Å; L178-F182 HydrophobicContact CD1-CE2 4.35Å; L178-F182 HydrophobicContact CD1-CZ 3.68Å; L178-F182 HydrophobicContact CD2-CE2 4.14Å; L178-F182 HydrophobicContact CD2-CZ 4Å; L178-F182 HydrophobicContact CG-CD2 4.37Å; L178-F182 HydrophobicContact CG-CE1 4.07Å; L178-F182 HydrophobicContact CG-CE2 3.78Å; L178-F182 HydrophobicContact CG-CZ 3.6Å; L178-F182 VanDerWaalsContact O-CG 3.3Å; L178-F182 WeakPolarHBondContact O-CG 3.41Å; L178-F182 PolarHBondContact O-N 3.08Å
179	F	95.1	Very high	89	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-72.3	-36.6	-179.8	-84.1	-118.4	0	0	0	112.3	F120 F161 F164 L175 K176 N181 F182 F183 V189 F213 L216	F120-F179 HydrophobicContact CE1-CE2 4.17Å; F120-F179 HydrophobicContact CZ-CE2 4.38Å; F161-F179 HydrophobicContact CD2-CZ 4.19Å; F161-F179 HydrophobicContact CE2-CE1 4.02Å; F161-F179 AromaticContact CE2-CZ 3.55Å; F161-F179 HydrophobicContact CE2-CZ 3.55Å; F161-F179 HydrophobicContact CZ-CZ 4.16Å; F164-F179 HydrophobicContact CE2-CE1 4.09Å; F164-F179 AromaticContact CE2-CZ 3.69Å; F164-F179 HydrophobicContact CE2-CZ 3.69Å; F164-F179 HydrophobicContact CZ-CE1 4.29Å; F164-F179 AromaticContact CZ-CZ 4Å; F164-F179 HydrophobicContact CZ-CZ 4Å; L175-F179 HydrophobicContact CD2-CD2 3.97Å; L175-F179 HydrophobicContact CD2-CE2 3.53Å; L175-F179 HydrophobicContact CD2-CZ 4.44Å; L175-F179 WeakPolarHBondContact O-CB 3.21Å; L175-F179 WeakPolarHBondContact O-CD2 3.31Å; L175-F179 PolarHBondContact O-N 2.8Å; K176-F179 PolarHBondContact O-N 2.66Å; F179-N181 VanDerWaalsContact C-N 3.25Å; F179-N181 PolarHBondContact O-N 2.53Å; F179-F182 HydrophobicContact CD2-CD2 4.11Å; F179-F182 HydrophobicContact CD2-CE2 4.32Å; F179-F182 HydrophobicContact CE2-CD2 4.31Å; F179-F182 HydrophobicContact CE2-CE2 4.2Å; F179-F182 HydrophobicContact CG-CD2 4.29Å; F179-F182 PolarHBondContact O-N 3.08Å; F179-F182 VanDerWaalsContact O-N 3.14Å; F179-F183 HydrophobicContact CB-CD2 4.31Å; F179-F183 HydrophobicContact CB-CE2 3.96Å; F179-F183 AromaticContact CD1-CE2 3.94Å; F179-F183 HydrophobicContact CD1-CE2 3.94Å; F179-F183 AromaticContact CD1-CZ 3.94Å; F179-F183 HydrophobicContact CD1-CZ 3.94Å; F179-F183 HydrophobicContact CG-CE2 4.46Å; F179-F183 WeakPolarHBondContact O-CD2 3.17Å; F179-F183 WeakPolarHBondContact O-CG 3.31Å; F179-F183 PolarHBondContact O-N 3.12Å; F179-V189 HydrophobicContact CD1-CG2 4.39Å; F179-V189 HydrophobicContact CE1-CG1 4.27Å; F179-V189 HydrophobicContact CE1-CG2 4.04Å; F179-F213 HydrophobicContact CB-CD2 4.18Å; F179-F213 HydrophobicContact CB-CE2 3.6Å; F179-F213 AromaticContact CD1-CE2 3.72Å; F179-F213 HydrophobicContact CD1-CE2 3.72Å; F179-F213 HydrophobicContact CD1-CZ 4.09Å; F179-F213 HydrophobicContact CD2-CE2 4.08Å; F179-F213 HydrophobicContact CD2-CZ 4.48Å; F179-F213 HydrophobicContact CE1-CE2 4.42Å; F179-F213 HydrophobicContact CE1-CZ 4.36Å; F179-F213 AromaticContact CG-CE2 3.52Å; F179-F213 HydrophobicContact CG-CE2 3.52Å; F179-F213 HydrophobicContact CG-CZ 4.17Å; F179-L216 HydrophobicContact CB-CD2 4.29Å
180	E	93	Very high	90.1	Very high	66 Å²	66	33.8 Å²	33.8	31%	0.308	17%	0.173	S	C	.	.	H	α-helix	trans	-53.4	-46.6	169.3	-76.1	171.6	175.3	0	0	110.6	K176 N184 L216	K176-E180 WeakPolarHBondContact CE-OE1 3.2Å; K176-E180 WeakPolarHBondContact O-CB 3.33Å; K176-E180 VanDerWaalsContact O-CG 3.26Å; K176-E180 WeakPolarHBondContact O-CG 3.09Å; K176-E180 PolarHBondContact O-N 2.71Å; E180-N184 VanDerWaalsContact O-CB 3.29Å; E180-N184 WeakPolarHBondContact O-CB 3.19Å; E180-N184 PolarHBondContact O-N 3.06Å; E180-N184 PolarHBondContact O-ND2 3.35Å; E180-L216 HydrophobicContact CB-CD2 4.28Å; E180-L216 HydrophobicContact CG-CD2 3.45Å; E180-L216 VanDerWaalsContact CG-CD2 3.45Å
181	N	94.5	Very high	91.3	Very high	40 Å²	40	31.7 Å²	31.7	21%	0.214	16%	0.155	C	C	.	.	H	α-helix	trans	-66.5	-41.5	176.3	-80.1	-92.6	0	0	0	112.2	A149 R177 L178 F179 F183 N184 L185	A149-N181 HydrophobicContact CB-CB 3.46Å; A149-N181 VanDerWaalsContact CB-CB 3.46Å; R177-N181 PolarHBondContact O-N 3.38Å; R177-N181 VanDerWaalsContact O-N 3.12Å; R177-N181 PolarHBondContact O-ND2 2.96Å; L178-N181 PolarHBondContact O-N 3.36Å; F179-N181 VanDerWaalsContact C-N 3.25Å; F179-N181 PolarHBondContact O-N 2.53Å; N181-F183 PolarHBondContact O-N 2.99Å; N181-N184 PolarHBondContact O-N 2.94Å; N181-L185 WeakPolarHBondContact O-CB 3.35Å; N181-L185 WeakPolarHBondContact O-CD1 3.09Å; N181-L185 WeakPolarHBondContact O-CG 3.23Å; N181-L185 PolarHBondContact O-N 3.33Å
182	F	96.3	Very high	92	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.4	-50.6	176.4	-69.4	-18.1	0	0	0	112.1	F120 A149 I152 I153 L159 L178 F179 N184 L185 G186 A187	F120-F182 HydrophobicContact CE2-CE2 4.06Å; F120-F182 HydrophobicContact CE2-CZ 4.02Å; F120-F182 AromaticContact CZ-CE2 3.64Å; F120-F182 HydrophobicContact CZ-CE2 3.64Å; F120-F182 AromaticContact CZ-CZ 3.85Å; F120-F182 HydrophobicContact CZ-CZ 3.85Å; A149-F182 HydrophobicContact CB-CD1 4Å; A149-F182 HydrophobicContact CB-CE1 4.01Å; I152-F182 HydrophobicContact CB-CE1 3.98Å; I152-F182 HydrophobicContact CB-CZ 4.28Å; I152-F182 HydrophobicContact CD1-CE1 4.14Å; I152-F182 HydrophobicContact CD1-CZ 3.84Å; I152-F182 HydrophobicContact CG2-CE1 4.03Å; I152-F182 HydrophobicContact CG2-CZ 4Å; I153-F182 HydrophobicContact CD1-CB 4.23Å; I153-F182 HydrophobicContact CD1-CD1 3.58Å; I153-F182 HydrophobicContact CD1-CE1 4.01Å; I153-F182 HydrophobicContact CD1-CG 4Å; I153-F182 HydrophobicContact CG1-CB 4.47Å; I153-F182 HydrophobicContact CG1-CD1 3.51Å; I153-F182 HydrophobicContact CG1-CE1 4.04Å; I153-F182 HydrophobicContact CG1-CG 4.28Å; L159-F182 HydrophobicContact CD1-CD2 3.59Å; L159-F182 HydrophobicContact CD1-CE2 3.66Å; L159-F182 HydrophobicContact CD1-CG 4.13Å; L159-F182 HydrophobicContact CD1-CZ 4.24Å; L178-F182 HydrophobicContact CD1-CD1 4.45Å; L178-F182 HydrophobicContact CD1-CE1 3.75Å; L178-F182 HydrophobicContact CD1-CE2 4.35Å; L178-F182 HydrophobicContact CD1-CZ 3.68Å; L178-F182 HydrophobicContact CD2-CE2 4.14Å; L178-F182 HydrophobicContact CD2-CZ 4Å; L178-F182 HydrophobicContact CG-CD2 4.37Å; L178-F182 HydrophobicContact CG-CE1 4.07Å; L178-F182 HydrophobicContact CG-CE2 3.78Å; L178-F182 HydrophobicContact CG-CZ 3.6Å; L178-F182 VanDerWaalsContact O-CG 3.3Å; L178-F182 WeakPolarHBondContact O-CG 3.41Å; L178-F182 PolarHBondContact O-N 3.08Å; F179-F182 HydrophobicContact CD2-CD2 4.11Å; F179-F182 HydrophobicContact CD2-CE2 4.32Å; F179-F182 HydrophobicContact CE2-CD2 4.31Å; F179-F182 HydrophobicContact CE2-CE2 4.2Å; F179-F182 HydrophobicContact CG-CD2 4.29Å; F179-F182 PolarHBondContact O-N 3.08Å; F179-F182 VanDerWaalsContact O-N 3.14Å; F182-N184 PolarHBondContact O-N 3.41Å; F182-L185 CarbonylContact O-C 3.6Å; F182-L185 PolarHBondContact O-N 3.18Å; F182-G186 PolarHBondContact O-N 3.44Å; F182-A187 HydrophobicContact CB-CB 3.98Å; F182-A187 WeakPolarHBondContact O-CB 3.17Å; F182-A187 PolarHBondContact O-N 3.36Å
183	F	94.8	Very high	92.7	Very high	15 Å²	15	30.5 Å²	30.5	7%	0.066	15%	0.148	C	C	.	.	H	α-helix	trans	-66.9	-38.5	-179.4	-62.6	-51.4	0	0	0	112.1	F179 N181 L185 G186 V189 L216 K220	F179-F183 HydrophobicContact CB-CD2 4.31Å; F179-F183 HydrophobicContact CB-CE2 3.96Å; F179-F183 AromaticContact CD1-CE2 3.94Å; F179-F183 HydrophobicContact CD1-CE2 3.94Å; F179-F183 AromaticContact CD1-CZ 3.94Å; F179-F183 HydrophobicContact CD1-CZ 3.94Å; F179-F183 HydrophobicContact CG-CE2 4.46Å; F179-F183 WeakPolarHBondContact O-CD2 3.17Å; F179-F183 WeakPolarHBondContact O-CG 3.31Å; F179-F183 PolarHBondContact O-N 3.12Å; N181-F183 PolarHBondContact O-N 2.99Å; F183-L185 PolarHBondContact O-N 3.07Å; F183-G186 PolarHBondContact O-N 3.31Å; F183-V189 HydrophobicContact CE1-CB 4.15Å; F183-V189 HydrophobicContact CE1-CG2 3.67Å; F183-V189 HydrophobicContact CZ-CB 4.37Å; F183-V189 HydrophobicContact CZ-CG2 3.95Å; F183-L216 HydrophobicContact CD2-CD1 4.06Å; F183-L216 HydrophobicContact CD2-CD2 3.97Å; F183-L216 HydrophobicContact CD2-CG 3.92Å; F183-L216 HydrophobicContact CE2-CD2 4.13Å; F183-L216 HydrophobicContact CE2-CG 3.97Å; F183-K220 HydrophobicContact CB-CD 4.41Å; F183-K220 HydrophobicContact CB-CG 4.21Å; F183-K220 HydrophobicContact CD1-CB 3.86Å; F183-K220 HydrophobicContact CD1-CG 3.99Å; F183-K220 HydrophobicContact CD2-CB 4.02Å; F183-K220 HydrophobicContact CD2-CG 3.6Å; F183-K220 HydrophobicContact CE1-CB 3.63Å; F183-K220 HydrophobicContact CE1-CG 4.21Å; F183-K220 HydrophobicContact CE2-CB 3.79Å; F183-K220 HydrophobicContact CE2-CG 3.83Å; F183-K220 HydrophobicContact CG-CB 4.06Å; F183-K220 HydrophobicContact CG-CD 4.35Å; F183-K220 HydrophobicContact CG-CG 3.68Å; F183-K220 HydrophobicContact CZ-CB 3.59Å; F183-K220 HydrophobicContact CZ-CG 4.14Å
184	N	93.5	Very high	93	Very high	133 Å²	133	26.5 Å²	26.5	71%	0.711	13%	0.129	S	C	*	.	H	α-helix	trans	-65	-28.7	174.6	-71.2	-17.4	0	0	0	112.9	E180 N181 F182 G186	E180-N184 VanDerWaalsContact O-CB 3.29Å; E180-N184 WeakPolarHBondContact O-CB 3.19Å; E180-N184 PolarHBondContact O-N 3.06Å; E180-N184 PolarHBondContact O-ND2 3.35Å; N181-N184 PolarHBondContact O-N 2.94Å; F182-N184 PolarHBondContact O-N 3.41Å; N184-G186 VanDerWaalsContact C-N 3.25Å
185	L	93.5	Very high	93	Very high	72 Å²	72	27.8 Å²	27.8	38%	0.377	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	6.7	174.6	-66.8	168.1	0	0	0	113.1	A149 K150 I153 N181 F182 F183	A149-L185 HydrophobicContact CB-CD1 4.48Å; K150-L185 HydrophobicContact CB-CD1 4.27Å; I153-L185 HydrophobicContact CB-CB 4.21Å; I153-L185 HydrophobicContact CB-CD1 4.14Å; I153-L185 HydrophobicContact CG1-CB 4.28Å; I153-L185 HydrophobicContact CG1-CD1 4.15Å; I153-L185 HydrophobicContact CG2-CB 3.72Å; N181-L185 WeakPolarHBondContact O-CB 3.35Å; N181-L185 WeakPolarHBondContact O-CD1 3.09Å; N181-L185 WeakPolarHBondContact O-CG 3.23Å; N181-L185 PolarHBondContact O-N 3.33Å; F182-L185 CarbonylContact O-C 3.6Å; F182-L185 PolarHBondContact O-N 3.18Å; F183-L185 PolarHBondContact O-N 3.07Å
186	G	92.1	Very high	93.1	Very high	6 Å²	6	29 Å²	29	6%	0.062	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	26.3	175.8	0	0	0	0	0	114.3	Y68 F182 F183 N184	Y68-G186 PolarHBondContact OH-O 3.34Å; F182-G186 PolarHBondContact O-N 3.44Å; F183-G186 PolarHBondContact O-N 3.31Å; N184-G186 VanDerWaalsContact C-N 3.25Å
187	A	94.7	Very high	93.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.008	13%	0.128	C	C	.	.			trans	-79.3	147.1	173.6	0	0	0	0	0	111.7	I153 K157 F182	I153-A187 HydrophobicContact CD1-CB 3.4Å; I153-A187 VanDerWaalsContact CD1-CB 3.4Å; I153-A187 HydrophobicContact CG1-CB 4.21Å; K157-A187 VanDerWaalsContact O-CA 3.32Å; K157-A187 WeakPolarHBondContact O-CA 3.39Å; F182-A187 HydrophobicContact CB-CB 3.98Å; F182-A187 WeakPolarHBondContact O-CB 3.17Å; F182-A187 PolarHBondContact O-N 3.36Å
188	V	96.6	Very high	93.7	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.8	172.6	-177.9	0	0	0	0	109.4	L60 L64 V82 P83 K157 L158 L159	L60-V188 HydrophobicContact CD1-CG1 4.34Å; L64-V188 HydrophobicContact CD2-CB 3.75Å; L64-V188 HydrophobicContact CD2-CG1 3.97Å; L64-V188 HydrophobicContact CD2-CG2 3.65Å; V82-V188 HydrophobicContact CG1-CG2 3.94Å; P83-V188 HydrophobicContact CB-CG2 4.36Å; K157-V188 PolarHBondContact O-N 2.83Å; L158-V188 HydrophobicContact CD1-CB 4.42Å; L158-V188 HydrophobicContact CD1-CG1 4.47Å; L159-V188 PolarHBondContact N-O 3.01Å
189	V	97.4	Very high	93.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.9	-176	174.3	0	0	0	0	110.7	G85 I86 L159 F161 F179 F183 A191	G85-V189 CarbonylContact C-O 3.53Å; G85-V189 WeakPolarHBondContact CA-O 3.45Å; I86-V189 PolarHBondContact N-O 3.09Å; I86-V189 VanDerWaalsContact N-O 3.08Å; L159-V189 HydrophobicContact CB-CG2 4.31Å; L159-V189 HydrophobicContact CD1-CG2 4.45Å; L159-V189 CarbonylContact O-C 3.55Å; L159-V189 WeakPolarHBondContact O-CA 3.33Å; F161-V189 HydrophobicContact CD2-CG1 3.8Å; F161-V189 HydrophobicContact CE2-CG1 4Å; F161-V189 HydrophobicContact CE2-CG2 4.34Å; F179-V189 HydrophobicContact CD1-CG2 4.39Å; F179-V189 HydrophobicContact CE1-CG1 4.27Å; F179-V189 HydrophobicContact CE1-CG2 4.04Å; F183-V189 HydrophobicContact CE1-CB 4.15Å; F183-V189 HydrophobicContact CE1-CG2 3.67Å; F183-V189 HydrophobicContact CZ-CB 4.37Å; F183-V189 HydrophobicContact CZ-CG2 3.95Å; V189-A191 HydrophobicContact CG1-CB 4.37Å
190	V	97.7	Very high	93.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.3	162.8	179	0	0	0	0	108.1	L60 I86 M100 F103 L158 L159 C160 F161	L60-V190 HydrophobicContact CD2-CG2 3.68Å; I86-V190 CarbonylContact O-C 3.55Å; I86-V190 VanDerWaalsContact O-CA 3.22Å; I86-V190 WeakPolarHBondContact O-CA 3.49Å; M100-V190 HydrophobicContact CG-CG1 4.02Å; F103-V190 HydrophobicContact CD1-CG1 4.39Å; F103-V190 HydrophobicContact CD1-CG2 4.28Å; F103-V190 HydrophobicContact CE1-CB 4.13Å; F103-V190 HydrophobicContact CE1-CG1 4.42Å; F103-V190 HydrophobicContact CE1-CG2 3.55Å; F103-V190 HydrophobicContact CZ-CG2 3.88Å; L158-V190 HydrophobicContact CD1-CG2 4.25Å; L159-V190 PolarHBondContact O-N 3.44Å; C160-V190 CarbonylContact C-O 3.49Å; C160-V190 WeakPolarHBondContact CA-O 3.46Å; F161-V190 PolarHBondContact N-O 2.94Å
191	A	97.4	Very high	92.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143.9	-177.9	0	0	0	0	0	111.3	I86 Y87 L88 F161 F164 V189	I86-A191 PolarHBondContact O-N 3.46Å; Y87-A191 CarbonylContact C-O 3.49Å; Y87-A191 WeakPolarHBondContact CA-O 3.47Å; Y87-A191 HydrophobicContact CD2-CB 3.74Å; Y87-A191 HydrophobicContact CE2-CB 4.08Å; L88-A191 PolarHBondContact N-O 3.37Å; F161-A191 HydrophobicContact CB-CB 4.28Å; F161-A191 CarbonylContact O-C 3.56Å; F161-A191 VanDerWaalsContact O-CA 3.22Å; F161-A191 WeakPolarHBondContact O-CA 3.39Å; F164-A191 HydrophobicContact CB-CB 4.17Å; F164-A191 HydrophobicContact CD2-CB 4.11Å; F164-A191 HydrophobicContact CG-CB 4.33Å; V189-A191 HydrophobicContact CG1-CB 4.37Å
192	T	94.9	Very high	92.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	145.1	167.8	70.7	0	0	0	0	109.4	L88 K96 M100 F161 D162 E163 F164	L88-T192 HydrophobicContact CB-CG2 4.5Å; L88-T192 CarbonylContact O-C 3.59Å; L88-T192 VanDerWaalsContact O-CA 3.23Å; L88-T192 WeakPolarHBondContact O-CA 3.14Å; K96-T192 HydrophobicContact CB-CG2 3.91Å; K96-T192 WeakPolarHBondContact O-CG2 3.42Å; M100-T192 HydrophobicContact CB-CG2 3.64Å; M100-T192 HydrophobicContact CE-CG2 4.3Å; M100-T192 HydrophobicContact CG-CG2 4.23Å; M100-T192 HydrophobicContact SD-CG2 3.82Å; F161-T192 PolarHBondContact O-N 3.26Å; D162-T192 VanDerWaalsContact CA-OG1 3.31Å; D162-T192 WeakPolarHBondContact CA-OG1 3.42Å; D162-T192 PolarHBondContact OD1-OG1 2.92Å; E163-T192 PolarHBondContact N-O 2.86Å; E163-T192 PolarHBondContact N-OG1 3.38Å; E163-T192 VanDerWaalsContact N-OG1 3.13Å; F164-T192 WeakPolarHBondContact CB-O 3.42Å; F164-T192 PolarHBondContact N-O 3.08Å
193	S	92.3	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	156.6	177.9	179.4	0	0	0	0	111.4	Y87 L88 Y89 G90 K96 F164 R195	Y87-S193 VanDerWaalsContact CZ-CB 3.45Å; Y87-S193 WeakPolarHBondContact OH-CB 3.47Å; Y87-S193 PolarHBondContact OH-OG 2.66Å; L88-S193 PolarHBondContact O-N 3.35Å; Y89-S193 WeakPolarHBondContact CA-O 3.49Å; G90-S193 PolarHBondContact N-O 3.33Å; K96-S193 WeakPolarHBondContact CD-O 3.38Å; K96-S193 WeakPolarHBondContact CE-O 3.47Å; F164-S193 PolarHBondContact O-OG 3.26Å; S193-R195 VanDerWaalsContact C-N 3.34Å; S193-R195 WeakPolarHBondContact CB-O 3Å; S193-R195 PolarHBondContact OG-N 3.31Å; S193-R195 PolarHBondContact OG-O 3.42Å
194	N	85.9	Confident	89.9	Confident	29 Å²	29	30.1 Å²	30.1	16%	0.155	16%	0.159	C	C	.	.	S	Bend	trans	-94.9	2.1	168.6	-53.2	-63	0	0	0	112.8	G90 K96 F420	G90-N194 WeakPolarHBondContact O-CA 3.44Å; G90-N194 PolarHBondContact O-OD1 3.16Å; K96-N194 WeakPolarHBondContact CE-OD1 3.49Å; K96-N194 PolarHBondContact NZ-OD1 2.86Å; N194-F420 HydrophobicContact CB-CD2 4.32Å; N194-F420 HydrophobicContact CB-CE1 3.96Å; N194-F420 HydrophobicContact CB-CE2 3.31Å; N194-F420 HydrophobicContact CB-CZ 3.14Å; N194-F420 WeakPolarHBondContact ND2-CZ 3.49Å
195	R	86.6	Confident	88.9	Confident	47 Å²	47	29.7 Å²	29.7	18%	0.177	16%	0.157	C	C	.	.	S	Bend	trans	-118.3	140.2	177.3	-61.4	-174.2	-179.8	-81.4	10.2	109	Y87 Y89 S193 D199 E417	Y87-R195 PolarHBondContact OH-O 2.95Å; Y89-R195 WeakPolarHBondContact CB-O 3.43Å; S193-R195 VanDerWaalsContact C-N 3.34Å; S193-R195 WeakPolarHBondContact CB-O 3Å; S193-R195 PolarHBondContact OG-N 3.31Å; S193-R195 PolarHBondContact OG-O 3.42Å; R195-D199 HydrophobicContact CB-CB 4.26Å; R195-E417 IonicContact NH2-OE1 2.76Å; R195-E417 PolarHBondContact NH2-OE1 2.8Å
196	C	91.7	Very high	88	Confident	27 Å²	27	31.1 Å²	31.1	18%	0.182	16%	0.162	C	C	.	.			trans	-63.1	156.4	165.6	74.1	0	0	0	0	109.4	Y89 D198 D199 L200	Y89-C196 HydrophobicContact CD2-CB 3.64Å; Y89-C196 HydrophobicContact CE2-CB 3.49Å; Y89-C196 VanDerWaalsContact CE2-CB 3.49Å; Y89-C196 HydrophobicContact CG-CB 4.27Å; C196-D198 PolarHBondContact O-N 3.19Å; C196-D198 VanDerWaalsContact O-N 3.14Å; C196-D199 PolarHBondContact O-N 3.07Å; C196-D199 VanDerWaalsContact SG-CG 3.52Å; C196-D199 PolarHBondContact SG-OD2 2.86Å; C196-L200 PolarHBondContact O-N 3.44Å
197	P	93.1	Very high	87.6	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.013	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-54.3	-35.2	179.2	-27.1	33.9	0	0	0	113.8	Y87 D199 L200 I214 K218 I223	Y87-P197 HydrophobicContact CD1-CG 3.67Å; Y87-P197 HydrophobicContact CE1-CG 3.66Å; Y87-P197 HydrophobicContact CG-CG 4.29Å; P197-D199 PolarHBondContact O-N 3.44Å; P197-L200 WeakPolarHBondContact O-CB 3.45Å; P197-L200 PolarHBondContact O-N 3.03Å; P197-I214 HydrophobicContact CB-CG2 4.05Å; P197-I214 WeakPolarHBondContact O-CD1 3.34Å; P197-I214 WeakPolarHBondContact O-CG2 3.44Å; P197-K218 HydrophobicContact CB-CG 4.35Å; P197-I223 HydrophobicContact CG-CD1 3.72Å; P197-I223 HydrophobicContact CG-CG1 4.18Å; P197-I223 HydrophobicContact CG-CG2 3.77Å
198	D	92.3	Very high	87	Confident	84 Å²	84	38.5 Å²	38.5	45%	0.449	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-69.8	-15.9	179.7	-66.4	-40.5	0	0	0	113.8	C196 R207 K218	C196-D198 PolarHBondContact O-N 3.19Å; C196-D198 VanDerWaalsContact O-N 3.14Å; D198-R207 PolarHBondContact O-NH2 3.22Å; D198-K218 VanDerWaalsContact OD1-CE 3.28Å; D198-K218 WeakPolarHBondContact OD1-CE 3.3Å; D198-K218 IonicContact OD1-NZ 2.63Å; D198-K218 PolarHBondContact OD1-NZ 3.25Å; D198-K218 IonicContact OD2-NZ 2.66Å; D198-K218 PolarHBondContact OD2-NZ 3.28Å
199	D	89.5	Confident	86.1	Confident	48 Å²	48	42.9 Å²	42.9	26%	0.257	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-103.1	0.5	176.5	-74	-24.9	0	0	0	112.5	R195 C196 P197 Y201 K202	R195-D199 HydrophobicContact CB-CB 4.26Å; C196-D199 PolarHBondContact O-N 3.07Å; C196-D199 VanDerWaalsContact SG-CG 3.52Å; C196-D199 PolarHBondContact SG-OD2 2.86Å; P197-D199 PolarHBondContact O-N 3.44Å; D199-Y201 PolarHBondContact O-N 3.21Å; D199-K202 HydrophobicContact CB-CD 4.36Å; D199-K202 VanDerWaalsContact O-CB 3.31Å; D199-K202 WeakPolarHBondContact O-CB 3.47Å; D199-K202 PolarHBondContact O-N 3.29Å; D199-K202 VanDerWaalsContact OD1-CD 3.32Å; D199-K202 WeakPolarHBondContact OD1-CD 3.33Å; D199-K202 WeakPolarHBondContact OD1-CE 3.09Å; D199-K202 IonicContact OD1-NZ 2.87Å; D199-K202 PolarHBondContact OD1-NZ 2.95Å; D199-K202 IonicContact OD2-NZ 3.66Å
200	L	89.1	Confident	85.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	128.8	171.9	-73.1	175	0	0	0	110.2	Y87 F164 C196 P197 K202 R207 F210 L217	Y87-L200 HydrophobicContact CE2-CD1 4.34Å; Y87-L200 WeakPolarHBondContact OH-CD2 3.43Å; F164-L200 HydrophobicContact CD1-CD1 4.04Å; F164-L200 HydrophobicContact CD1-CD2 3.99Å; F164-L200 HydrophobicContact CE1-CD1 4.01Å; F164-L200 WeakPolarHBondContact O-CD2 3.43Å; C196-L200 PolarHBondContact O-N 3.44Å; P197-L200 WeakPolarHBondContact O-CB 3.45Å; P197-L200 PolarHBondContact O-N 3.03Å; L200-K202 PolarHBondContact O-N 2.97Å; L200-R207 PolarHBondContact O-NH1 3.32Å; L200-R207 PolarHBondContact O-NH2 2.77Å; L200-R207 VanDerWaalsContact O-NH2 3.09Å; L200-F210 HydrophobicContact CB-CE1 3.85Å; L200-F210 HydrophobicContact CB-CZ 4.31Å; L200-F210 WeakPolarHBondContact O-CE1 3.4Å; L200-L217 HydrophobicContact CD1-CD2 3.81Å
201	Y	84.5	Confident	85.1	Confident	16 Å²	16	46.6 Å²	46.6	6%	0.063	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	27.3	-177.3	-166.2	-123	0	0	0	113.8	V166 T167 I169 A172 D199 N203 G204 L205 R207 F210	V166-Y201 HydrophobicContact CG1-CD2 4.13Å; V166-Y201 HydrophobicContact CG1-CG 4.31Å; V166-Y201 WeakPolarHBondContact O-CA 3.41Å; V166-Y201 PolarHBondContact O-N 3.5Å; T167-Y201 WeakPolarHBondContact O-CE2 3.27Å; I169-Y201 WeakPolarHBondContact CA-OH 3.36Å; I169-Y201 WeakPolarHBondContact CB-OH 3.4Å; I169-Y201 WeakPolarHBondContact CG1-OH 3.47Å; A172-Y201 HydrophobicContact CB-CD1 4.05Å; A172-Y201 HydrophobicContact CB-CE1 3.98Å; A172-Y201 HydrophobicContact CB-CE2 4.49Å; A172-Y201 HydrophobicContact CB-CG 4.35Å; D199-Y201 PolarHBondContact O-N 3.21Å; Y201-N203 PolarHBondContact O-N 2.77Å; Y201-G204 VanDerWaalsContact CZ-CA 3.47Å; Y201-G204 PolarHBondContact O-N 3.36Å; Y201-L205 VanDerWaalsContact CE1-O 3.29Å; Y201-L205 WeakPolarHBondContact CE1-O 3.31Å; Y201-L205 PolarHBondContact OH-N 3.08Å; Y201-L205 VanDerWaalsContact OH-N 3.11Å; Y201-L205 PolarHBondContact OH-O 3.31Å; Y201-R207 PolarHBondContact O-NH1 2.68Å; Y201-F210 HydrophobicContact CD1-CB 3.97Å; Y201-F210 HydrophobicContact CD1-CD1 4.1Å; Y201-F210 AromaticContact CD1-CG 3.97Å; Y201-F210 HydrophobicContact CD1-CG 3.97Å; Y201-F210 HydrophobicContact CG-CD1 4.38Å
202	K	79.6	Confident	84.6	Confident	90 Å²	90	49.5 Å²	49.5	39%	0.391	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	132.5	-177.9	-168.4	179.8	-164.1	155.9	0	110.1	D199 L200 G204	D199-K202 HydrophobicContact CB-CD 4.36Å; D199-K202 VanDerWaalsContact O-CB 3.31Å; D199-K202 WeakPolarHBondContact O-CB 3.47Å; D199-K202 PolarHBondContact O-N 3.29Å; D199-K202 VanDerWaalsContact OD1-CD 3.32Å; D199-K202 WeakPolarHBondContact OD1-CD 3.33Å; D199-K202 WeakPolarHBondContact OD1-CE 3.09Å; D199-K202 IonicContact OD1-NZ 2.87Å; D199-K202 PolarHBondContact OD1-NZ 2.95Å; D199-K202 IonicContact OD2-NZ 3.66Å; L200-K202 PolarHBondContact O-N 2.97Å; K202-G204 PolarHBondContact O-N 3.13Å; K202-G204 VanDerWaalsContact O-N 3.09Å
203	N	74.3	Confident	84.5	Confident	57 Å²	57	49.5 Å²	49.5	31%	0.305	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	13.4	-177	-53.2	-29.3	0	0	0	114.8	Y201 K409 A410 P411	Y201-N203 PolarHBondContact O-N 2.77Å; N203-K409 PolarHBondContact ND2-O 2.82Å; N203-A410 HydrophobicContact CB-CB 3.66Å; N203-A410 WeakPolarHBondContact ND2-CA 3.44Å; N203-P411 WeakPolarHBondContact ND2-CD 3.07Å
204	G	72.1	Confident	84.5	Confident	18 Å²	18	49.8 Å²	49.8	19%	0.186	27%	0.265	C	S	.	.			trans	-66.2	149.5	171	0	0	0	0	0	112.3	Y201 K202 Q206 R207	Y201-G204 VanDerWaalsContact CZ-CA 3.47Å; Y201-G204 PolarHBondContact O-N 3.36Å; K202-G204 PolarHBondContact O-N 3.13Å; K202-G204 VanDerWaalsContact O-N 3.09Å; G204-Q206 PolarHBondContact O-N 3.13Å; G204-R207 WeakPolarHBondContact O-CB 3.45Å; G204-R207 PolarHBondContact O-N 3.22Å; G204-R207 VanDerWaalsContact O-N 3.1Å
205	L	71.8	Confident	84.9	Confident	125 Å²	125	50.3 Å²	50.3	65%	0.654	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	133.8	177.4	-177.3	68.9	0	0	0	110.1	I169 Y201 R207	I169-L205 HydrophobicContact CD1-CB 3.93Å; I169-L205 HydrophobicContact CD1-CD2 3.9Å; I169-L205 HydrophobicContact CD1-CG 3.88Å; I169-L205 VanDerWaalsContact CD1-O 3.3Å; I169-L205 WeakPolarHBondContact CD1-O 3.44Å; Y201-L205 VanDerWaalsContact CE1-O 3.29Å; Y201-L205 WeakPolarHBondContact CE1-O 3.31Å; Y201-L205 PolarHBondContact OH-N 3.08Å; Y201-L205 VanDerWaalsContact OH-N 3.11Å; Y201-L205 PolarHBondContact OH-O 3.31Å; L205-R207 VanDerWaalsContact C-N 3.26Å; L205-R207 PolarHBondContact O-N 3.44Å
206	Q	74.7	Confident	85.3	Confident	102 Å²	102	49.2 Å²	49.2	48%	0.477	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	33.1	-175.1	-58.6	-179.4	1.1	0	0	114.8	I169 G204 V208 N209	I169-Q206 HydrophobicContact CD1-CB 4.14Å; I169-Q206 HydrophobicContact CD1-CG 4.23Å; G204-Q206 PolarHBondContact O-N 3.13Å; Q206-V208 PolarHBondContact O-N 2.67Å; Q206-N209 WeakPolarHBondContact O-CB 3.44Å; Q206-N209 PolarHBondContact O-N 3.13Å; Q206-N209 PolarHBondContact OE1-ND2 2.98Å
207	R	82.6	Confident	85.4	Confident	52 Å²	52	47.9 Å²	47.9	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-44	-35.9	175.3	174.3	168	-165.8	66.3	1.2	114.2	D198 L200 Y201 G204 L205 N209 F210 V211	D198-R207 PolarHBondContact O-NH2 3.22Å; L200-R207 PolarHBondContact O-NH1 3.32Å; L200-R207 PolarHBondContact O-NH2 2.77Å; L200-R207 VanDerWaalsContact O-NH2 3.09Å; Y201-R207 PolarHBondContact O-NH1 2.68Å; G204-R207 WeakPolarHBondContact O-CB 3.45Å; G204-R207 PolarHBondContact O-N 3.22Å; G204-R207 VanDerWaalsContact O-N 3.1Å; L205-R207 VanDerWaalsContact C-N 3.26Å; L205-R207 PolarHBondContact O-N 3.44Å; R207-N209 PolarHBondContact O-N 3.25Å; R207-N209 VanDerWaalsContact O-N 3.16Å; R207-F210 WeakPolarHBondContact O-CA 3.32Å; R207-F210 WeakPolarHBondContact O-CB 3.25Å; R207-F210 PolarHBondContact O-N 3.17Å; R207-V211 HydrophobicContact CG-CG2 4.19Å; R207-V211 WeakPolarHBondContact O-CG2 3.4Å; R207-V211 PolarHBondContact O-N 2.9Å
208	V	82.1	Confident	85.6	Confident	110 Å²	110	51.3 Å²	51.3	67%	0.667	28%	0.28	S	S	*	.	H	α-helix	trans	-52.7	-34.9	177	68.6	0	0	0	0	113.2	Q206 F210 P212	Q206-V208 PolarHBondContact O-N 2.67Å; V208-F210 VanDerWaalsContact C-N 3.32Å; V208-P212 VanDerWaalsContact O-CD 3.31Å; V208-P212 WeakPolarHBondContact O-CD 3.42Å
209	N	78.8	Confident	85.8	Confident	93 Å²	93	52.7 Å²	52.7	50%	0.497	28%	0.284	S	S	.	.	H	α-helix	trans	-76.5	-21.8	178.1	-67.2	-21.8	0	0	0	112.7	Q206 R207	Q206-N209 WeakPolarHBondContact O-CB 3.44Å; Q206-N209 PolarHBondContact O-N 3.13Å; Q206-N209 PolarHBondContact OE1-ND2 2.98Å; R207-N209 PolarHBondContact O-N 3.25Å; R207-N209 VanDerWaalsContact O-N 3.16Å
210	F	84.7	Confident	86.1	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-89.1	-28.6	178.7	-175	-103.6	0	0	0	112.8	V166 A172 L175 L200 Y201 R207 V208 P212 F213 I214	V166-F210 HydrophobicContact CB-CZ 4.21Å; V166-F210 HydrophobicContact CG1-CE2 4.19Å; V166-F210 HydrophobicContact CG1-CZ 4.27Å; V166-F210 HydrophobicContact CG2-CE2 4.4Å; V166-F210 HydrophobicContact CG2-CZ 4Å; A172-F210 HydrophobicContact CB-CD2 3.54Å; A172-F210 HydrophobicContact CB-CE2 3.97Å; A172-F210 HydrophobicContact CB-CG 4.25Å; L175-F210 HydrophobicContact CD1-CE2 4.36Å; L200-F210 HydrophobicContact CB-CE1 3.85Å; L200-F210 HydrophobicContact CB-CZ 4.31Å; L200-F210 WeakPolarHBondContact O-CE1 3.4Å; Y201-F210 HydrophobicContact CD1-CB 3.97Å; Y201-F210 HydrophobicContact CD1-CD1 4.1Å; Y201-F210 AromaticContact CD1-CG 3.97Å; Y201-F210 HydrophobicContact CD1-CG 3.97Å; Y201-F210 HydrophobicContact CG-CD1 4.38Å; R207-F210 WeakPolarHBondContact O-CA 3.32Å; R207-F210 WeakPolarHBondContact O-CB 3.25Å; R207-F210 PolarHBondContact O-N 3.17Å; V208-F210 VanDerWaalsContact C-N 3.32Å; F210-P212 VanDerWaalsContact C-CD 3.44Å; F210-P212 VanDerWaalsContact C-N 3.3Å; F210-F213 HydrophobicContact CD2-CB 4.4Å; F210-F213 HydrophobicContact CD2-CD1 4.15Å; F210-F213 HydrophobicContact CE1-CD1 4.1Å; F210-F213 HydrophobicContact CE2-CB 4.43Å; F210-F213 AromaticContact CE2-CD1 3.38Å; F210-F213 HydrophobicContact CE2-CD1 3.38Å; F210-F213 AromaticContact CE2-CE1 3.99Å; F210-F213 HydrophobicContact CE2-CE1 3.99Å; F210-F213 HydrophobicContact CE2-CG 4.2Å; F210-F213 AromaticContact CZ-CD1 3.37Å; F210-F213 HydrophobicContact CZ-CD1 3.37Å; F210-F213 AromaticContact CZ-CE1 3.77Å; F210-F213 HydrophobicContact CZ-CE1 3.77Å; F210-F213 WeakPolarHBondContact O-CA 3.39Å; F210-F213 VanDerWaalsContact O-CB 3.31Å; F210-F213 WeakPolarHBondContact O-CB 2.98Å; F210-F213 PolarHBondContact O-N 3.49Å; F210-I214 HydrophobicContact CD1-CD1 4Å; F210-I214 HydrophobicContact CD1-CG1 4.02Å; F210-I214 HydrophobicContact CE1-CD1 4.06Å; F210-I214 HydrophobicContact CE1-CG1 3.83Å; F210-I214 PolarHBondContact O-N 3.08Å
211	V	88.1	Confident	86.4	Confident	74 Å²	74	53.5 Å²	53.5	45%	0.448	29%	0.285	S	S	.	.	H	α-helix	trans	-50.4	-40.8	178.8	171.1	0	0	0	0	113.6	R207 F213 I214 G215	R207-V211 HydrophobicContact CG-CG2 4.19Å; R207-V211 WeakPolarHBondContact O-CG2 3.4Å; R207-V211 PolarHBondContact O-N 2.9Å; V211-F213 PolarHBondContact O-N 2.9Å; V211-I214 WeakPolarHBondContact O-CB 3.45Å; V211-I214 PolarHBondContact O-N 3.27Å; V211-G215 PolarHBondContact O-N 2.94Å; V211-G215 VanDerWaalsContact O-N 3.1Å
212	P	88.5	Confident	87	Confident	61 Å²	61	56.7 Å²	56.7	40%	0.396	30%	0.3	S	S	.	.	H	α-helix	trans	-57.3	-32.8	174.4	-28.4	36.3	0	0	0	114.6	K176 V208 F210 G215 L216	K176-P212 HydrophobicContact CD-CB 4.24Å; V208-P212 VanDerWaalsContact O-CD 3.31Å; V208-P212 WeakPolarHBondContact O-CD 3.42Å; F210-P212 VanDerWaalsContact C-CD 3.44Å; F210-P212 VanDerWaalsContact C-N 3.3Å; P212-G215 PolarHBondContact O-N 3.12Å; P212-L216 PolarHBondContact O-N 2.73Å
213	F	91.2	Very high	87.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.1	-37	174.2	168.5	-105.9	0	0	0	111.9	F164 K176 F179 F210 V211 G215 L216 L217	F164-F213 HydrophobicContact CE1-CE1 4.12Å; F164-F213 HydrophobicContact CE1-CZ 4.23Å; F164-F213 HydrophobicContact CZ-CE1 4.17Å; F164-F213 AromaticContact CZ-CZ 3.84Å; F164-F213 HydrophobicContact CZ-CZ 3.84Å; K176-F213 HydrophobicContact CB-CB 3.92Å; K176-F213 HydrophobicContact CG-CB 4.13Å; F179-F213 HydrophobicContact CB-CD2 4.18Å; F179-F213 HydrophobicContact CB-CE2 3.6Å; F179-F213 AromaticContact CD1-CE2 3.72Å; F179-F213 HydrophobicContact CD1-CE2 3.72Å; F179-F213 HydrophobicContact CD1-CZ 4.09Å; F179-F213 HydrophobicContact CD2-CE2 4.08Å; F179-F213 HydrophobicContact CD2-CZ 4.48Å; F179-F213 HydrophobicContact CE1-CE2 4.42Å; F179-F213 HydrophobicContact CE1-CZ 4.36Å; F179-F213 AromaticContact CG-CE2 3.52Å; F179-F213 HydrophobicContact CG-CE2 3.52Å; F179-F213 HydrophobicContact CG-CZ 4.17Å; F210-F213 HydrophobicContact CD2-CB 4.4Å; F210-F213 HydrophobicContact CD2-CD1 4.15Å; F210-F213 HydrophobicContact CE1-CD1 4.1Å; F210-F213 HydrophobicContact CE2-CB 4.43Å; F210-F213 AromaticContact CE2-CD1 3.38Å; F210-F213 HydrophobicContact CE2-CD1 3.38Å; F210-F213 AromaticContact CE2-CE1 3.99Å; F210-F213 HydrophobicContact CE2-CE1 3.99Å; F210-F213 HydrophobicContact CE2-CG 4.2Å; F210-F213 AromaticContact CZ-CD1 3.37Å; F210-F213 HydrophobicContact CZ-CD1 3.37Å; F210-F213 AromaticContact CZ-CE1 3.77Å; F210-F213 HydrophobicContact CZ-CE1 3.77Å; F210-F213 WeakPolarHBondContact O-CA 3.39Å; F210-F213 VanDerWaalsContact O-CB 3.31Å; F210-F213 WeakPolarHBondContact O-CB 2.98Å; F210-F213 PolarHBondContact O-N 3.49Å; V211-F213 PolarHBondContact O-N 2.9Å; F213-G215 VanDerWaalsContact C-N 3.28Å; F213-G215 PolarHBondContact O-N 2.93Å; F213-L216 HydrophobicContact CD2-CD2 4.43Å; F213-L216 PolarHBondContact O-N 3.26Å; F213-L217 HydrophobicContact CE1-CD2 4.48Å; F213-L217 HydrophobicContact CZ-CD2 4.47Å; F213-L217 WeakPolarHBondContact O-CB 3.49Å; F213-L217 PolarHBondContact O-N 2.83Å
214	I	93	Very high	88.8	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.036	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-42.8	173.4	-58.6	173	0	0	0	109.8	P197 F210 V211 L217 K218	P197-I214 HydrophobicContact CB-CG2 4.05Å; P197-I214 WeakPolarHBondContact O-CD1 3.34Å; P197-I214 WeakPolarHBondContact O-CG2 3.44Å; F210-I214 HydrophobicContact CD1-CD1 4Å; F210-I214 HydrophobicContact CD1-CG1 4.02Å; F210-I214 HydrophobicContact CE1-CD1 4.06Å; F210-I214 HydrophobicContact CE1-CG1 3.83Å; F210-I214 PolarHBondContact O-N 3.08Å; V211-I214 WeakPolarHBondContact O-CB 3.45Å; V211-I214 PolarHBondContact O-N 3.27Å; I214-L217 PolarHBondContact O-N 3.39Å; I214-K218 HydrophobicContact CG2-CD 4.31Å; I214-K218 WeakPolarHBondContact O-CB 3.45Å; I214-K218 WeakPolarHBondContact O-CG 3.26Å; I214-K218 PolarHBondContact O-N 3.26Å
215	G	94.4	Very high	89.7	Confident	39 Å²	39	55.1 Å²	55.1	40%	0.402	29%	0.292	S	S	.	.	H	α-helix	trans	-58.2	-49.3	174	0	0	0	0	0	112.5	V211 P212 F213 L217 K218 E219	V211-G215 PolarHBondContact O-N 2.94Å; V211-G215 VanDerWaalsContact O-N 3.1Å; P212-G215 PolarHBondContact O-N 3.12Å; F213-G215 VanDerWaalsContact C-N 3.28Å; F213-G215 PolarHBondContact O-N 2.93Å; G215-L217 PolarHBondContact O-N 3.42Å; G215-K218 PolarHBondContact O-N 2.78Å; G215-E219 PolarHBondContact O-N 2.99Å
216	L	94.4	Very high	90.4	Very high	24 Å²	24	49.2 Å²	49.2	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-44	176	178.1	69.1	0	0	0	112.4	F179 E180 F183 P212 F213 K218 E219 K220	F179-L216 HydrophobicContact CB-CD2 4.29Å; E180-L216 HydrophobicContact CB-CD2 4.28Å; E180-L216 HydrophobicContact CG-CD2 3.45Å; E180-L216 VanDerWaalsContact CG-CD2 3.45Å; F183-L216 HydrophobicContact CD2-CD1 4.06Å; F183-L216 HydrophobicContact CD2-CD2 3.97Å; F183-L216 HydrophobicContact CD2-CG 3.92Å; F183-L216 HydrophobicContact CE2-CD2 4.13Å; F183-L216 HydrophobicContact CE2-CG 3.97Å; P212-L216 PolarHBondContact O-N 2.73Å; F213-L216 HydrophobicContact CD2-CD2 4.43Å; F213-L216 PolarHBondContact O-N 3.26Å; L216-K218 VanDerWaalsContact C-N 3.35Å; L216-K218 PolarHBondContact O-N 2.59Å; L216-E219 WeakPolarHBondContact O-CB 3.45Å; L216-E219 PolarHBondContact O-N 2.84Å; L216-K220 HydrophobicContact CD1-CG 4Å; L216-K220 WeakPolarHBondContact O-CG 3.43Å; L216-K220 PolarHBondContact O-N 3.38Å
217	L	95.4	Very high	90.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-43.3	178.7	-174.7	64.8	0	0	0	111.1	Y87 L200 F213 I214 G215 E219 K220 C221	Y87-L217 HydrophobicContact CD2-CD1 4.41Å; Y87-L217 HydrophobicContact CD2-CD2 3.83Å; Y87-L217 HydrophobicContact CD2-CG 4.34Å; Y87-L217 HydrophobicContact CE2-CD2 3.81Å; L200-L217 HydrophobicContact CD1-CD2 3.81Å; F213-L217 HydrophobicContact CE1-CD2 4.48Å; F213-L217 HydrophobicContact CZ-CD2 4.47Å; F213-L217 WeakPolarHBondContact O-CB 3.49Å; F213-L217 PolarHBondContact O-N 2.83Å; I214-L217 PolarHBondContact O-N 3.39Å; G215-L217 PolarHBondContact O-N 3.42Å; L217-E219 VanDerWaalsContact C-N 3.3Å; L217-E219 PolarHBondContact O-N 2.98Å; L217-K220 PolarHBondContact O-N 2.98Å; L217-C221 WeakPolarHBondContact O-CB 3.31Å; L217-C221 PolarHBondContact O-N 2.99Å
218	K	96.4	Very high	89.8	Confident	74 Å²	74	47.7 Å²	47.7	32%	0.322	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-29.6	174.7	-75.3	-178.8	164.6	-175.4	0	113.4	R84 P197 D198 I214 G215 L216 I223	R84-K218 PolarHBondContact NH2-O 3.25Å; P197-K218 HydrophobicContact CB-CG 4.35Å; D198-K218 VanDerWaalsContact OD1-CE 3.28Å; D198-K218 WeakPolarHBondContact OD1-CE 3.3Å; D198-K218 IonicContact OD1-NZ 2.63Å; D198-K218 PolarHBondContact OD1-NZ 3.25Å; D198-K218 IonicContact OD2-NZ 2.66Å; D198-K218 PolarHBondContact OD2-NZ 3.28Å; I214-K218 HydrophobicContact CG2-CD 4.31Å; I214-K218 WeakPolarHBondContact O-CB 3.45Å; I214-K218 WeakPolarHBondContact O-CG 3.26Å; I214-K218 PolarHBondContact O-N 3.26Å; G215-K218 PolarHBondContact O-N 2.78Å; L216-K218 VanDerWaalsContact C-N 3.35Å; L216-K218 PolarHBondContact O-N 2.59Å; K218-I223 HydrophobicContact CG-CD1 4.29Å; K218-I223 HydrophobicContact CG-CG1 4.05Å
219	E	95.8	Very high	89.2	Confident	112 Å²	112	45.9 Å²	45.9	52%	0.523	27%	0.268	S	S	.	.	H	α-helix	trans	-72.6	-44.1	174.7	-170.9	-159.2	135.9	0	0	111	R84 G215 L216 L217	R84-E219 PolarHBondContact NE-O 3.16Å; R84-E219 PolarHBondContact NH2-O 2.84Å; G215-E219 PolarHBondContact O-N 2.99Å; L216-E219 WeakPolarHBondContact O-CB 3.45Å; L216-E219 PolarHBondContact O-N 2.84Å; L217-E219 VanDerWaalsContact C-N 3.3Å; L217-E219 PolarHBondContact O-N 2.98Å
220	K	96.1	Very high	88.9	Confident	66 Å²	66	43.4 Å²	43.4	29%	0.287	26%	0.256	S	S	.	.	H	α-helix	trans	-91.8	-13	-171.7	-59.8	-57.2	-168.3	-156	0	114.7	R84 G85 F183 L216 L217	R84-K220 CarbonylContact C-O 3.48Å; R84-K220 VanDerWaalsContact CA-O 3.28Å; R84-K220 WeakPolarHBondContact CA-O 3.34Å; G85-K220 PolarHBondContact N-O 3.35Å; F183-K220 HydrophobicContact CB-CD 4.41Å; F183-K220 HydrophobicContact CB-CG 4.21Å; F183-K220 HydrophobicContact CD1-CB 3.86Å; F183-K220 HydrophobicContact CD1-CG 3.99Å; F183-K220 HydrophobicContact CD2-CB 4.02Å; F183-K220 HydrophobicContact CD2-CG 3.6Å; F183-K220 HydrophobicContact CE1-CB 3.63Å; F183-K220 HydrophobicContact CE1-CG 4.21Å; F183-K220 HydrophobicContact CE2-CB 3.79Å; F183-K220 HydrophobicContact CE2-CG 3.83Å; F183-K220 HydrophobicContact CG-CB 4.06Å; F183-K220 HydrophobicContact CG-CD 4.35Å; F183-K220 HydrophobicContact CG-CG 3.68Å; F183-K220 HydrophobicContact CZ-CB 3.59Å; F183-K220 HydrophobicContact CZ-CG 4.14Å; L216-K220 HydrophobicContact CD1-CG 4Å; L216-K220 WeakPolarHBondContact O-CG 3.43Å; L216-K220 PolarHBondContact O-N 3.38Å; L217-K220 PolarHBondContact O-N 2.98Å
221	C	96.9	Very high	88.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.3	177.5	-61.7	0	0	0	0	111.6	R84 G85 L217 I223	R84-C221 PolarHBondContact NH2-O 3.29Å; G85-C221 CarbonylContact O-C 3.49Å; G85-C221 VanDerWaalsContact O-CA 3.28Å; G85-C221 WeakPolarHBondContact O-CA 3.41Å; L217-C221 WeakPolarHBondContact O-CB 3.31Å; L217-C221 PolarHBondContact O-N 2.99Å; C221-I223 HydrophobicContact CB-CD1 4.36Å
222	H	96.7	Very high	87.9	Confident	82 Å²	82	42.8 Å²	42.8	38%	0.38	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.7	164	-68.8	-75	0	0	0	109.3	R84 G85 I86 Y87	R84-H222 WeakPolarHBondContact CB-NE2 3.47Å; G85-H222 PolarHBondContact O-N 2.99Å; I86-H222 HydrophobicContact CG1-CB 4.41Å; Y87-H222 PolarHBondContact N-O 3.27Å
223	I	96.3	Very high	87.3	Confident	58 Å²	58	41.6 Å²	41.6	30%	0.297	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113.8	-177.6	-51.8	-51.5	0	0	0	108.6	Y87 Y89 P197 K218 C221	Y87-I223 HydrophobicContact CD1-CD1 4.42Å; Y87-I223 HydrophobicContact CG-CD1 4.18Å; Y89-I223 HydrophobicContact CD1-CG2 3.92Å; Y89-I223 HydrophobicContact CE1-CG2 3.54Å; P197-I223 HydrophobicContact CG-CD1 3.72Å; P197-I223 HydrophobicContact CG-CG1 4.18Å; P197-I223 HydrophobicContact CG-CG2 3.77Å; K218-I223 HydrophobicContact CG-CD1 4.29Å; K218-I223 HydrophobicContact CG-CG1 4.05Å; C221-I223 HydrophobicContact CB-CD1 4.36Å
224	V	94.1	Very high	86.1	Confident	16 Å²	16	43.1 Å²	43.1	10%	0.097	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.1	-172.5	178.1	0	0	0	0	109.1	I53 I86 Y87 L88 Y89	I53-V224 HydrophobicContact CD1-CG1 3.52Å; I53-V224 HydrophobicContact CG1-CG1 3.72Å; I53-V224 HydrophobicContact CG2-CG1 4.27Å; I86-V224 HydrophobicContact CG2-CG2 4.31Å; Y87-V224 PolarHBondContact O-N 3.07Å; L88-V224 WeakPolarHBondContact CA-O 3.44Å; L88-V224 HydrophobicContact CD2-CB 3.92Å; L88-V224 HydrophobicContact CD2-CG1 3.93Å; Y89-V224 WeakPolarHBondContact CD1-O 3.47Å; Y89-V224 PolarHBondContact N-O 3.33Å
225	N	92.6	Very high	85	Confident	59 Å²	59	46.4 Å²	46.4	32%	0.316	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.9	172.4	-168.4	-3.4	0	0	0	108.9	F49 Y89 D227	F49-N225 WeakPolarHBondContact CE1-O 3.49Å; F49-N225 WeakPolarHBondContact CZ-O 3.46Å; Y89-N225 HydrophobicContact CE1-CB 3.82Å; Y89-N225 HydrophobicContact CE2-CB 4.1Å; Y89-N225 CarbonylContact O-C 3.52Å; Y89-N225 WeakPolarHBondContact O-CA 3.31Å; Y89-N225 PolarHBondContact O-OD1 2.95Å; N225-D227 WeakPolarHBondContact OD1-CB 2.89Å; N225-D227 PolarHBondContact OD1-N 3.02Å
226	L	86.1	Confident	83.5	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.255	C	S	.	.			trans	-110	6.3	178.3	-146.8	117.3	0	0	0	112.5	I53 L88 Y89 C94 K96 L99 S228	I53-L226 HydrophobicContact CD1-CD1 3.37Å; I53-L226 HydrophobicContact CD1-CG 3.97Å; I53-L226 HydrophobicContact CG2-CD1 4.33Å; L88-L226 HydrophobicContact CD2-CD1 4.11Å; Y89-L226 PolarHBondContact O-N 3.17Å; C94-L226 VanDerWaalsContact C-CD2 3.46Å; C94-L226 HydrophobicContact CB-CD2 3.78Å; C94-L226 WeakPolarHBondContact O-CD2 3.49Å; C94-L226 WeakPolarHBondContact SG-CD2 3.32Å; K96-L226 HydrophobicContact CG-CB 4.23Å; K96-L226 HydrophobicContact CG-CD2 4.08Å; L99-L226 HydrophobicContact CD1-CD1 3.42Å; L99-L226 VanDerWaalsContact CD1-CD1 3.42Å; L99-L226 HydrophobicContact CD1-CD2 4.31Å; L99-L226 HydrophobicContact CD1-CG 4.47Å; L226-S228 PolarHBondContact O-N 3.29Å
227	D	75.7	Confident	81.7	Confident	73 Å²	73	46.6 Å²	46.6	39%	0.39	25%	0.251	S	S	.	.			trans	-69.5	97.4	178.7	-90.7	-33.3	0	0	0	112.2	S91 N225	S91-D227 WeakPolarHBondContact CA-OD1 3.39Å; S91-D227 WeakPolarHBondContact CB-OD1 3.42Å; S91-D227 VanDerWaalsContact N-CG 3.32Å; S91-D227 PolarHBondContact N-OD1 3.43Å; S91-D227 PolarHBondContact N-OD2 2.96Å; S91-D227 PolarHBondContact OG-OD1 3.01Å; N225-D227 WeakPolarHBondContact OD1-CB 2.89Å; N225-D227 PolarHBondContact OD1-N 3.02Å
228	S	69.5	Low	79.8	Confident	48 Å²	48	51.1 Å²	51.1	34%	0.336	27%	0.272	S	S	.	.			trans	-90.5	-5.9	164.3	59.8	0	0	0	0	112.7	L226 V230	L226-S228 PolarHBondContact O-N 3.29Å; S228-V230 PolarHBondContact O-N 3.42Å; S228-V230 PolarHBondContact OG-N 3.49Å
229	G	68.5	Low	77.7	Confident	72 Å²	72	52.6 Å²	52.6	74%	0.742	29%	0.287	S	S	*	.	S	Bend	trans	73.2	5.6	-170.2	0	0	0	0	0	113.8
230	V	71.8	Confident	75.4	Confident	42 Å²	42	48.6 Å²	48.6	26%	0.255	27%	0.272	S	S	.	.			trans	-104.7	121.9	178.8	-175.9	0	0	0	0	109.8	S228 Y232 K235	S228-V230 PolarHBondContact O-N 3.42Å; S228-V230 PolarHBondContact OG-N 3.49Å; V230-Y232 HydrophobicContact CB-CE2 4.32Å; V230-Y232 HydrophobicContact CG1-CD1 4.22Å; V230-Y232 HydrophobicContact CG1-CE1 4.04Å; V230-Y232 HydrophobicContact CG1-CE2 4.35Å; V230-Y232 HydrophobicContact CG1-CG 4.48Å; V230-K235 HydrophobicContact CG1-CG 4.14Å
231	D	77.3	Confident	73	Confident	35 Å²	35	50.7 Å²	50.7	19%	0.187	29%	0.286	C	S	.	.			trans	-87.6	109.3	164.7	-173.6	-18.1	0	0	0	108.8	G93 R233 T234 K235 S427	G93-D231 VanDerWaalsContact CA-OD1 3.3Å; G93-D231 WeakPolarHBondContact CA-OD1 3.47Å; D231-R233 VanDerWaalsContact C-N 3.27Å; D231-R233 PolarHBondContact O-N 3.14Å; D231-R233 WeakPolarHBondContact OD1-CA 3.05Å; D231-R233 WeakPolarHBondContact OD1-CB 3Å; D231-R233 PolarHBondContact OD1-N 3.24Å; D231-T234 HydrophobicContact CB-CG2 4.18Å; D231-T234 PolarHBondContact O-OG1 2.52Å; D231-K235 WeakPolarHBondContact O-CG 3.32Å; D231-K235 PolarHBondContact O-N 3.02Å; D231-S427 VanDerWaalsContact CG-OG 3.31Å; D231-S427 PolarHBondContact OD1-OG 3.27Å; D231-S427 WeakPolarHBondContact OD2-CB 3.48Å; D231-S427 PolarHBondContact OD2-OG 3.42Å
232	Y	76	Confident	70.6	Confident	30 Å²	30	58.9 Å²	58.9	12%	0.118	32%	0.324	C	S	.	.	H	α-helix	trans	-73.5	-21.8	-179.6	-62.1	-87	0	0	0	112.2	D47 Q50 G93 C94 V230 K235 I236	D47-Y232 WeakPolarHBondContact CB-OH 3.47Å; D47-Y232 PolarHBondContact OD2-OH 2.84Å; Q50-Y232 VanDerWaalsContact NE2-CZ 3.31Å; G93-Y232 WeakPolarHBondContact O-CD2 3.3Å; G93-Y232 PolarHBondContact O-N 3.44Å; C94-Y232 WeakPolarHBondContact O-CD2 3.25Å; C94-Y232 WeakPolarHBondContact O-CE2 3.33Å; V230-Y232 HydrophobicContact CB-CE2 4.32Å; V230-Y232 HydrophobicContact CG1-CD1 4.22Å; V230-Y232 HydrophobicContact CG1-CE1 4.04Å; V230-Y232 HydrophobicContact CG1-CE2 4.35Å; V230-Y232 HydrophobicContact CG1-CG 4.48Å; Y232-K235 PolarHBondContact O-N 3.32Å; Y232-I236 VanDerWaalsContact O-CG1 3.28Å; Y232-I236 WeakPolarHBondContact O-CG1 3.35Å; Y232-I236 PolarHBondContact O-N 3.02Å; Y232-I236 VanDerWaalsContact O-N 3.07Å
233	R	75	Confident	67.9	Low	36 Å²	36	63.3 Å²	63.3	14%	0.136	34%	0.344	C	S	.	.	H	α-helix	trans	-65.6	-42.6	176.9	-67.6	-171.7	174.1	141.5	-4.3	111.2	D231 Y356 S427 E431	D231-R233 VanDerWaalsContact C-N 3.27Å; D231-R233 PolarHBondContact O-N 3.14Å; D231-R233 WeakPolarHBondContact OD1-CA 3.05Å; D231-R233 WeakPolarHBondContact OD1-CB 3Å; D231-R233 PolarHBondContact OD1-N 3.24Å; R233-Y356 PolarHBondContact NE-OH 2.77Å; R233-Y356 PolarHBondContact NH2-OH 3.38Å; R233-Y356 VanDerWaalsContact NH2-OH 3.11Å; R233-S427 WeakPolarHBondContact CB-O 3.24Å; R233-S427 VanDerWaalsContact CD-OG 3.27Å; R233-S427 WeakPolarHBondContact CD-OG 3.43Å; R233-E431 HydrophobicContact CB-CB 3.95Å; R233-E431 WeakPolarHBondContact CD-OE2 3.48Å; R233-E431 HydrophobicContact CG-CB 4.13Å; R233-E431 HydrophobicContact CG-CG 4.45Å; R233-E431 VanDerWaalsContact CG-OE2 3.22Å; R233-E431 WeakPolarHBondContact CG-OE2 3.29Å; R233-E431 IonicContact CZ-OE2 2.64Å; R233-E431 IonicContact NE-OE2 3.85Å; R233-E431 PolarHBondContact NE-OE2 2.95Å
234	T	66.7	Low	65.2	Low	31 Å²	31	62.5 Å²	62.5	19%	0.19	34%	0.344	C	S	.	.	H	α-helix	trans	-68.2	-40.3	176	61.6	0	0	0	0	111.4	D231 I236 S237 E238 H430	D231-T234 HydrophobicContact CB-CG2 4.18Å; D231-T234 PolarHBondContact O-OG1 2.52Å; T234-I236 PolarHBondContact O-N 2.7Å; T234-S237 WeakPolarHBondContact O-CB 3.35Å; T234-S237 PolarHBondContact O-N 2.88Å; T234-S237 VanDerWaalsContact O-N 3.09Å; T234-S237 PolarHBondContact O-OG 3.26Å; T234-E238 PolarHBondContact O-N 3.4Å; T234-H430 HydrophobicContact CG2-CB 3.9Å
235	K	68.7	Low	63	Low	77 Å²	77	69.3 Å²	69.3	34%	0.335	38%	0.38	S	S	.	.	H	α-helix	trans	-61.2	-37	177	-74.4	-80.6	164.9	-147.7	0	114.5	V230 D231 Y232 S237 E238 T239	V230-K235 HydrophobicContact CG1-CG 4.14Å; D231-K235 WeakPolarHBondContact O-CG 3.32Å; D231-K235 PolarHBondContact O-N 3.02Å; Y232-K235 PolarHBondContact O-N 3.32Å; K235-S237 VanDerWaalsContact C-N 3.28Å; K235-S237 PolarHBondContact O-N 3.31Å; K235-E238 WeakPolarHBondContact CD-OE2 3.44Å; K235-E238 IonicContact NZ-OE2 3.6Å; K235-E238 PolarHBondContact NZ-OE2 3.41Å; K235-E238 PolarHBondContact O-N 3.32Å; K235-T239 PolarHBondContact O-N 3.16Å; K235-T239 VanDerWaalsContact O-N 3.08Å; K235-T239 PolarHBondContact O-OG1 3.09Å
236	I	63.7	Low	61.4	Low	60 Å²	60	68.9 Å²	68.9	31%	0.308	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-40.7	175.5	-67.8	162.5	0	0	0	109.5	Y232 T234 T239 S240 A436	Y232-I236 VanDerWaalsContact O-CG1 3.28Å; Y232-I236 WeakPolarHBondContact O-CG1 3.35Å; Y232-I236 PolarHBondContact O-N 3.02Å; Y232-I236 VanDerWaalsContact O-N 3.07Å; T234-I236 PolarHBondContact O-N 2.7Å; I236-T239 PolarHBondContact O-N 3.27Å; I236-S240 WeakPolarHBondContact O-CB 3.41Å; I236-S240 PolarHBondContact O-N 3.25Å; I236-S240 PolarHBondContact O-OG 3.1Å; I236-A436 HydrophobicContact CG2-CB 4.5Å
237	S	56.4	Low	60.5	Low	6 Å²	6	71.2 Å²	71.2	4%	0.042	39%	0.393	C	S	.	.	H	α-helix	trans	-62.8	-46.8	175.2	79.9	0	0	0	0	111.6	T234 K235 T239 S240 L241 H430	T234-S237 WeakPolarHBondContact O-CB 3.35Å; T234-S237 PolarHBondContact O-N 2.88Å; T234-S237 VanDerWaalsContact O-N 3.09Å; T234-S237 PolarHBondContact O-OG 3.26Å; K235-S237 VanDerWaalsContact C-N 3.28Å; K235-S237 PolarHBondContact O-N 3.31Å; S237-T239 VanDerWaalsContact C-N 3.32Å; S237-T239 PolarHBondContact O-N 3.42Å; S237-S240 PolarHBondContact O-N 2.58Å; S237-S240 PolarHBondContact O-OG 3.39Å; S237-L241 WeakPolarHBondContact O-CB 3.3Å; S237-L241 WeakPolarHBondContact O-CD1 3.44Å; S237-L241 WeakPolarHBondContact O-CG 3.27Å; S237-L241 PolarHBondContact O-N 2.86Å; S237-H430 VanDerWaalsContact CB-O 3.3Å; S237-H430 WeakPolarHBondContact CB-O 3.49Å; S237-H430 PolarHBondContact OG-ND1 2.92Å
238	E	55.8	Low	60.9	Low	96 Å²	96	68 Å²	68	45%	0.449	38%	0.375	S	S	.	.	H	α-helix	trans	-57.1	-42.4	178.1	-69.3	173.1	-174.6	0	0	112.9	T234 K235	T234-E238 PolarHBondContact O-N 3.4Å; K235-E238 WeakPolarHBondContact CD-OE2 3.44Å; K235-E238 IonicContact NZ-OE2 3.6Å; K235-E238 PolarHBondContact NZ-OE2 3.41Å; K235-E238 PolarHBondContact O-N 3.32Å
239	T	51.1	Low	61.8	Low	104 Å²	104	66.6 Å²	66.6	64%	0.638	36%	0.363	S	S	*	.	H	α-helix	trans	-74.1	-38.9	-179.7	-46	0	0	0	0	111.9	K235 I236 S237	K235-T239 PolarHBondContact O-N 3.16Å; K235-T239 VanDerWaalsContact O-N 3.08Å; K235-T239 PolarHBondContact O-OG1 3.09Å; I236-T239 PolarHBondContact O-N 3.27Å; S237-T239 VanDerWaalsContact C-N 3.32Å; S237-T239 PolarHBondContact O-N 3.42Å
240	S	48.1	Very low	62.8	Low	28 Å²	28	63.7 Å²	63.7	20%	0.196	33%	0.33	C	S	.	.	H	α-helix	trans	-78.7	-19.2	-177.5	53.9	0	0	0	0	114.1	I236 S237 Q242 E243 S434	I236-S240 WeakPolarHBondContact O-CB 3.41Å; I236-S240 PolarHBondContact O-N 3.25Å; I236-S240 PolarHBondContact O-OG 3.1Å; S237-S240 PolarHBondContact O-N 2.58Å; S237-S240 PolarHBondContact O-OG 3.39Å; S240-Q242 PolarHBondContact O-N 3.48Å; S240-E243 PolarHBondContact O-N 3.32Å; S240-S434 WeakPolarHBondContact OG-CB 3.36Å
241	L	46	Very low	63.5	Low	111 Å²	111	62.7 Å²	62.7	58%	0.581	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.5	172.8	-77.3	166.2	0	0	0	113.1	S237	S237-L241 WeakPolarHBondContact O-CB 3.3Å; S237-L241 WeakPolarHBondContact O-CD1 3.44Å; S237-L241 WeakPolarHBondContact O-CG 3.27Å; S237-L241 PolarHBondContact O-N 2.86Å
242	Q	46.2	Very low	63.9	Low	171 Å²	171	63.7 Å²	63.7	80%	0.799	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.9	-179.1	-64.4	-167.5	17.5	0	0	114.7	S240	S240-Q242 PolarHBondContact O-N 3.48Å
243	E	40.1	Very low	64.2	Low	175 Å²	175	66.1 Å²	66.1	82%	0.818	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.5	7.2	-167.1	-86.1	-170.2	166.5	0	0	117.8	S240	S240-E243 PolarHBondContact O-N 3.32Å
244	S	40.6	Very low	64.4	Low	41 Å²	41	68.4 Å²	68.4	29%	0.287	37%	0.365	S	S	.	.			trans	-168.9	123.4	157	48.3	0	0	0	0	112.4	L246 K435	S244-L246 PolarHBondContact O-N 3.25Å; S244-K435 WeakPolarHBondContact OG-CD 3.13Å; S244-K435 WeakPolarHBondContact OG-CE 3.41Å; S244-K435 PolarHBondContact OG-NZ 3.49Å
245	D	46.6	Very low	64.4	Low	160 Å²	160	69.3 Å²	69.3	86%	0.856	38%	0.38	S	S	*	.			trans	-55.5	72.1	167.9	-62.8	-48.9	0	0	0	113.1	P247	D245-P247 WeakPolarHBondContact O-CD 3.02Å
246	L	59.8	Low	64.1	Low	49 Å²	49	70.2 Å²	70.2	26%	0.257	39%	0.389	S	S	.	.			trans	-100.7	90.3	159	-67.8	167.2	0	0	0	105.8	S244 L248 W266	S244-L246 PolarHBondContact O-N 3.25Å; L246-L248 HydrophobicContact CB-CD2 4.16Å; L246-L248 HydrophobicContact CB-CG 4.02Å; L246-L248 WeakPolarHBondContact O-CG 3.39Å; L246-L248 PolarHBondContact O-N 3.15Å; L246-W266 HydrophobicContact CD2-CH2 3.35Å; L246-W266 HydrophobicContact CD2-CZ2 3.95Å; L246-W266 HydrophobicContact CD2-CZ3 4.35Å
247	P	67.4	Low	64	Low	51 Å²	51	75.2 Å²	75.2	33%	0.331	42%	0.416	S	S	.	.			trans	-70.7	74.6	175.9	31.3	-37.4	0	0	0	109.5	D245 Y249 L250	D245-P247 WeakPolarHBondContact O-CD 3.02Å; P247-Y249 PolarHBondContact O-N 2.74Å; P247-L250 HydrophobicContact CB-CD2 3.72Å; P247-L250 HydrophobicContact CG-CD2 4.28Å
248	L	83.6	Confident	65.4	Low	4 Å²	4	77.6 Å²	77.6	2%	0.021	43%	0.428	C	S	.	.			trans	-74	-10.8	178.5	-59.1	-179.6	0	0	0	112	L246 I363 I364 R433 W438	L246-L248 HydrophobicContact CB-CD2 4.16Å; L246-L248 HydrophobicContact CB-CG 4.02Å; L246-L248 WeakPolarHBondContact O-CG 3.39Å; L246-L248 PolarHBondContact O-N 3.15Å; L248-I363 HydrophobicContact CD2-CD1 4.26Å; L248-I363 HydrophobicContact CD2-CG1 3.82Å; L248-I363 CarbonylContact O-C 3.54Å; L248-I363 WeakPolarHBondContact O-CA 3.23Å; L248-I364 PolarHBondContact O-N 3.26Å; L248-R433 HydrophobicContact CB-CG 4.4Å; L248-W438 HydrophobicContact CD1-CD2 4.16Å; L248-W438 HydrophobicContact CD1-CE3 3.58Å; L248-W438 HydrophobicContact CD1-CZ3 4.15Å; L248-W438 HydrophobicContact CD2-CD2 4.25Å; L248-W438 HydrophobicContact CD2-CE3 3.65Å; L248-W438 HydrophobicContact CD2-CH2 3.85Å; L248-W438 HydrophobicContact CD2-CZ2 4.42Å; L248-W438 HydrophobicContact CD2-CZ3 3.42Å; L248-W438 VanDerWaalsContact CD2-CZ3 3.42Å; L248-W438 HydrophobicContact CG-CE3 4.28Å; L248-W438 HydrophobicContact CG-CZ3 4.42Å
249	Y	88.5	Confident	66.9	Low	20 Å²	20	73.1 Å²	73.1	8%	0.078	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	113.3	172.5	-168.3	-76	0	0	0	108.3	P247 I364 A366 C368 I370 R433	P247-Y249 PolarHBondContact O-N 2.74Å; Y249-I364 CarbonylContact C-O 3.48Å; Y249-I364 WeakPolarHBondContact CA-O 3.43Å; Y249-I364 HydrophobicContact CD2-CB 3.89Å; Y249-I364 HydrophobicContact CD2-CD1 4.4Å; Y249-I364 HydrophobicContact CD2-CG2 3.95Å; Y249-I364 HydrophobicContact CE2-CB 4.22Å; Y249-I364 HydrophobicContact CE2-CD1 4.42Å; Y249-I364 HydrophobicContact CE2-CG2 3.77Å; Y249-A366 HydrophobicContact CE1-CB 3.95Å; Y249-A366 HydrophobicContact CE2-CB 4.17Å; Y249-A366 VanDerWaalsContact CZ-CB 3.5Å; Y249-A366 WeakPolarHBondContact OH-CB 3.4Å; Y249-C368 WeakPolarHBondContact CE1-O 3.16Å; Y249-C368 PolarHBondContact OH-O 3.35Å; Y249-I370 HydrophobicContact CD2-CB 4.33Å; Y249-I370 HydrophobicContact CD2-CD1 4.32Å; Y249-I370 HydrophobicContact CD2-CG1 4.47Å; Y249-I370 HydrophobicContact CE1-CB 4.26Å; Y249-I370 HydrophobicContact CE2-CB 3.94Å; Y249-I370 HydrophobicContact CE2-CD1 4.36Å; Y249-I370 HydrophobicContact CE2-CG1 4.06Å; Y249-I370 WeakPolarHBondContact OH-CA 3.47Å; Y249-I370 PolarHBondContact OH-N 3Å; Y249-R433 VanDerWaalsContact CB-NE 3.31Å
250	L	88.9	Confident	68.7	Low	10 Å²	10	72 Å²	72	5%	0.052	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.8	-179.8	-64.3	173.2	0	0	0	108.7	P247 V259 Q262 L263 I364 G365 A366	P247-L250 HydrophobicContact CB-CD2 3.72Å; P247-L250 HydrophobicContact CG-CD2 4.28Å; L250-V259 HydrophobicContact CB-CB 4.48Å; L250-V259 HydrophobicContact CB-CG1 3.62Å; L250-V259 HydrophobicContact CB-CG2 4.15Å; L250-V259 HydrophobicContact CD1-CG1 4.02Å; L250-V259 HydrophobicContact CG-CG1 4.46Å; L250-Q262 HydrophobicContact CD1-CB 3.77Å; L250-L263 HydrophobicContact CD1-CD2 3.64Å; L250-L263 HydrophobicContact CD1-CG 3.78Å; L250-I364 PolarHBondContact N-O 2.77Å; L250-G365 CarbonylContact O-C 3.51Å; L250-G365 WeakPolarHBondContact O-CA 3.49Å; L250-A366 PolarHBondContact O-N 2.85Å
251	D	87.8	Confident	70.6	Confident	21 Å²	21	74.8 Å²	74.8	11%	0.112	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	110.2	-177.5	-179.1	-3.7	0	0	0	110	S253 T254 A366 C368 S369	D251-S253 PolarHBondContact O-N 2.81Å; D251-S253 WeakPolarHBondContact OD1-CA 3.36Å; D251-S253 VanDerWaalsContact OD1-CB 3.24Å; D251-S253 WeakPolarHBondContact OD1-CB 3.49Å; D251-S253 PolarHBondContact OD1-N 3.14Å; D251-S253 PolarHBondContact OD1-OG 3.33Å; D251-S253 PolarHBondContact OD2-OG 3.47Å; D251-T254 HydrophobicContact CB-CG2 3.8Å; D251-T254 PolarHBondContact O-N 3.03Å; D251-T254 PolarHBondContact O-OG1 2.88Å; D251-A366 CarbonylContact C-O 3.59Å; D251-A366 WeakPolarHBondContact CA-O 3.28Å; D251-C368 VanDerWaalsContact CG-C 3.41Å; D251-C368 WeakPolarHBondContact OD1-CA 3.33Å; D251-C368 PolarHBondContact OD1-N 2.86Å; D251-S369 WeakPolarHBondContact OD2-CA 3.36Å; D251-S369 PolarHBondContact OD2-N 3.14Å
252	Y	85.3	Confident	72.6	Confident	56 Å²	56	71.5 Å²	71.5	22%	0.22	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-59.7	-23.9	177.2	-68.5	-79	0	0	0	112.5	T254 V259 D260 G365 A366 N367	Y252-T254 VanDerWaalsContact C-N 3.31Å; Y252-T254 PolarHBondContact O-N 3.34Å; Y252-V259 HydrophobicContact CD1-CB 3.6Å; Y252-V259 HydrophobicContact CD1-CG1 3.73Å; Y252-V259 HydrophobicContact CD1-CG2 4.04Å; Y252-V259 HydrophobicContact CD2-CG1 4.43Å; Y252-V259 HydrophobicContact CE1-CB 3.5Å; Y252-V259 VanDerWaalsContact CE1-CB 3.5Å; Y252-V259 HydrophobicContact CE1-CG1 3.33Å; Y252-V259 HydrophobicContact CE1-CG2 4.41Å; Y252-V259 HydrophobicContact CE2-CG1 4.06Å; Y252-V259 HydrophobicContact CG-CB 4.4Å; Y252-V259 HydrophobicContact CG-CG1 4.26Å; Y252-V259 HydrophobicContact CG-CG2 4.5Å; Y252-V259 VanDerWaalsContact CZ-CG1 3.49Å; Y252-D260 VanDerWaalsContact CE1-OD1 3.31Å; Y252-D260 WeakPolarHBondContact CE1-OD1 3.27Å; Y252-D260 PolarHBondContact OH-OD1 3.47Å; Y252-G365 VanDerWaalsContact CE2-C 3.49Å; Y252-A366 VanDerWaalsContact CD2-C 3.47Å; Y252-A366 VanDerWaalsContact CD2-O 3.27Å; Y252-A366 WeakPolarHBondContact CD2-O 3.29Å; Y252-A366 PolarHBondContact N-O 3.11Å; Y252-N367 WeakPolarHBondContact CD2-OD1 3.45Å
253	S	81.6	Confident	74.8	Confident	81 Å²	81	63.4 Å²	63.4	57%	0.566	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-77	-14.1	-178.2	75.9	0	0	0	0	114.1	D251 G255	D251-S253 PolarHBondContact O-N 2.81Å; D251-S253 WeakPolarHBondContact OD1-CA 3.36Å; D251-S253 VanDerWaalsContact OD1-CB 3.24Å; D251-S253 WeakPolarHBondContact OD1-CB 3.49Å; D251-S253 PolarHBondContact OD1-N 3.14Å; D251-S253 PolarHBondContact OD1-OG 3.33Å; D251-S253 PolarHBondContact OD2-OG 3.47Å; S253-G255 PolarHBondContact O-N 3.41Å; S253-G255 VanDerWaalsContact O-N 3.12Å
254	T	79.1	Confident	77.2	Confident	85 Å²	85	57.8 Å²	57.8	52%	0.521	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-74.1	1.1	-177.3	57.6	0	0	0	0	114.4	D251 Y252 N256	D251-T254 HydrophobicContact CB-CG2 3.8Å; D251-T254 PolarHBondContact O-N 3.03Å; D251-T254 PolarHBondContact O-OG1 2.88Å; Y252-T254 VanDerWaalsContact C-N 3.31Å; Y252-T254 PolarHBondContact O-N 3.34Å; T254-N256 PolarHBondContact O-N 3.21Å
255	G	66.6	Low	79.4	Confident	50 Å²	50	62.2 Å²	62.2	52%	0.515	34%	0.344	S	S	.	.	S	Bend	trans	73.4	4.3	-176.7	0	0	0	0	0	113.9	S253 N257	S253-G255 PolarHBondContact O-N 3.41Å; S253-G255 VanDerWaalsContact O-N 3.12Å; G255-N257 VanDerWaalsContact C-N 3.28Å; G255-N257 PolarHBondContact O-N 2.85Å; G255-N257 PolarHBondContact O-OD1 3.33Å
256	N	63	Low	81.5	Confident	96 Å²	96	56 Å²	56	51%	0.513	31%	0.308	S	S	.	.			trans	-68.5	88.1	165.3	-94	-24.9	0	0	0	108.6	T254 D258 V259	T254-N256 PolarHBondContact O-N 3.21Å; N256-D258 PolarHBondContact O-N 3.05Å; N256-V259 HydrophobicContact CB-CG2 4.49Å; N256-V259 PolarHBondContact O-N 2.96Å
257	N	62.6	Low	83	Confident	164 Å²	164	54 Å²	54	88%	0.877	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	9.4	-178.7	-66.9	-22	0	0	0	114.6	G255	G255-N257 VanDerWaalsContact C-N 3.28Å; G255-N257 PolarHBondContact O-N 2.85Å; G255-N257 PolarHBondContact O-OD1 3.33Å
258	D	84.1	Confident	84	Confident	56 Å²	56	55.5 Å²	55.5	30%	0.299	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	15.5	-173.9	-152.3	51.7	0	0	0	113.3	N256 D260 N261 Q262 K265	N256-D258 PolarHBondContact O-N 3.05Å; D258-D260 VanDerWaalsContact C-N 3.32Å; D258-D260 PolarHBondContact O-N 2.87Å; D258-N261 VanDerWaalsContact CG-CB 3.43Å; D258-N261 PolarHBondContact O-N 2.87Å; D258-N261 WeakPolarHBondContact OD1-CB 3.46Å; D258-N261 VanDerWaalsContact OD1-CG 3.29Å; D258-N261 PolarHBondContact OD1-ND2 3.04Å; D258-N261 WeakPolarHBondContact OD2-CB 3.45Å; D258-Q262 WeakPolarHBondContact O-CG 3.42Å; D258-Q262 PolarHBondContact O-N 3.42Å; D258-K265 IonicContact OD2-NZ 3.57Å; D258-K265 PolarHBondContact OD2-NZ 2.69Å
259	V	87.4	Confident	84.1	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-56.2	-45.2	-178.1	170.5	0	0	0	0	111.6	L250 Y252 N256 N261 Q262 L263	L250-V259 HydrophobicContact CB-CB 4.48Å; L250-V259 HydrophobicContact CB-CG1 3.62Å; L250-V259 HydrophobicContact CB-CG2 4.15Å; L250-V259 HydrophobicContact CD1-CG1 4.02Å; L250-V259 HydrophobicContact CG-CG1 4.46Å; Y252-V259 HydrophobicContact CD1-CB 3.6Å; Y252-V259 HydrophobicContact CD1-CG1 3.73Å; Y252-V259 HydrophobicContact CD1-CG2 4.04Å; Y252-V259 HydrophobicContact CD2-CG1 4.43Å; Y252-V259 HydrophobicContact CE1-CB 3.5Å; Y252-V259 VanDerWaalsContact CE1-CB 3.5Å; Y252-V259 HydrophobicContact CE1-CG1 3.33Å; Y252-V259 HydrophobicContact CE1-CG2 4.41Å; Y252-V259 HydrophobicContact CE2-CG1 4.06Å; Y252-V259 HydrophobicContact CG-CB 4.4Å; Y252-V259 HydrophobicContact CG-CG1 4.26Å; Y252-V259 HydrophobicContact CG-CG2 4.5Å; Y252-V259 VanDerWaalsContact CZ-CG1 3.49Å; N256-V259 HydrophobicContact CB-CG2 4.49Å; N256-V259 PolarHBondContact O-N 2.96Å; V259-N261 PolarHBondContact O-N 3.3Å; V259-Q262 WeakPolarHBondContact O-CB 3.3Å; V259-Q262 PolarHBondContact O-N 3.46Å; V259-Q262 VanDerWaalsContact O-N 3.15Å; V259-L263 HydrophobicContact CG1-CD1 3.94Å; V259-L263 HydrophobicContact CG1-CG 4.3Å; V259-L263 VanDerWaalsContact O-CG 3.31Å; V259-L263 WeakPolarHBondContact O-CG 3.41Å; V259-L263 PolarHBondContact O-N 3.34Å
260	D	88.9	Confident	84.2	Confident	81 Å²	81	59.7 Å²	59.7	43%	0.433	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-43.2	-179.6	-67.2	-30.6	0	0	0	112.3	Y252 D258 Q262 L263 D264	Y252-D260 VanDerWaalsContact CE1-OD1 3.31Å; Y252-D260 WeakPolarHBondContact CE1-OD1 3.27Å; Y252-D260 PolarHBondContact OH-OD1 3.47Å; D258-D260 VanDerWaalsContact C-N 3.32Å; D258-D260 PolarHBondContact O-N 2.87Å; D260-Q262 VanDerWaalsContact C-N 3.34Å; D260-Q262 PolarHBondContact O-N 3.25Å; D260-L263 WeakPolarHBondContact O-CB 3.35Å; D260-L263 PolarHBondContact O-N 2.64Å; D260-D264 PolarHBondContact O-N 3.14Å
261	N	88.7	Confident	84.1	Confident	85 Å²	85	59.4 Å²	59.4	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-65.9	-35.1	175.4	-77.2	-22.8	0	0	0	112	D258 V259 D264 K265	D258-N261 VanDerWaalsContact CG-CB 3.43Å; D258-N261 PolarHBondContact O-N 2.87Å; D258-N261 WeakPolarHBondContact OD1-CB 3.46Å; D258-N261 VanDerWaalsContact OD1-CG 3.29Å; D258-N261 PolarHBondContact OD1-ND2 3.04Å; D258-N261 WeakPolarHBondContact OD2-CB 3.45Å; V259-N261 PolarHBondContact O-N 3.3Å; N261-D264 PolarHBondContact O-N 3.3Å; N261-K265 WeakPolarHBondContact O-CB 3.36Å; N261-K265 VanDerWaalsContact O-CG 3.24Å; N261-K265 WeakPolarHBondContact O-CG 3.35Å; N261-K265 PolarHBondContact O-N 2.75Å
262	Q	88.4	Confident	83.8	Confident	43 Å²	43	62.3 Å²	62.3	20%	0.201	34%	0.342	C	S	.	.	H	α-helix	trans	-64.6	-42.1	171.9	-73.6	178.2	67.6	0	0	111.4	L250 D258 V259 D260 K265 W266	L250-Q262 HydrophobicContact CD1-CB 3.77Å; D258-Q262 WeakPolarHBondContact O-CG 3.42Å; D258-Q262 PolarHBondContact O-N 3.42Å; V259-Q262 WeakPolarHBondContact O-CB 3.3Å; V259-Q262 PolarHBondContact O-N 3.46Å; V259-Q262 VanDerWaalsContact O-N 3.15Å; D260-Q262 VanDerWaalsContact C-N 3.34Å; D260-Q262 PolarHBondContact O-N 3.25Å; Q262-K265 PolarHBondContact O-N 2.96Å; Q262-W266 VanDerWaalsContact O-CD1 3.24Å; Q262-W266 PolarHBondContact O-N 2.66Å
263	L	91.6	Very high	83.6	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-66.3	-36.6	175.6	-65.8	171.4	0	0	0	112	L250 V259 D260 W266 F267 I330 I363	L250-L263 HydrophobicContact CD1-CD2 3.64Å; L250-L263 HydrophobicContact CD1-CG 3.78Å; V259-L263 HydrophobicContact CG1-CD1 3.94Å; V259-L263 HydrophobicContact CG1-CG 4.3Å; V259-L263 VanDerWaalsContact O-CG 3.31Å; V259-L263 WeakPolarHBondContact O-CG 3.41Å; V259-L263 PolarHBondContact O-N 3.34Å; D260-L263 WeakPolarHBondContact O-CB 3.35Å; D260-L263 PolarHBondContact O-N 2.64Å; L263-W266 WeakPolarHBondContact O-CB 3.44Å; L263-W266 PolarHBondContact O-N 3.41Å; L263-F267 WeakPolarHBondContact O-CB 3.45Å; L263-F267 PolarHBondContact O-N 2.8Å; L263-I330 HydrophobicContact CB-CG2 4.29Å; L263-I330 HydrophobicContact CD2-CG2 3.67Å; L263-I330 HydrophobicContact CG-CG2 4.47Å; L263-I363 HydrophobicContact CD2-CG2 3.69Å
264	D	90.6	Very high	83.7	Confident	57 Å²	57	64.3 Å²	64.3	31%	0.305	35%	0.346	S	S	.	.	H	α-helix	trans	-66.3	-39.9	172.8	-79.8	-38.3	0	0	0	112.6	D260 N261 F267 T268 K303	D260-D264 PolarHBondContact O-N 3.14Å; N261-D264 PolarHBondContact O-N 3.3Å; D264-F267 PolarHBondContact O-N 3.45Å; D264-T268 WeakPolarHBondContact O-CB 3.38Å; D264-T268 PolarHBondContact O-N 3.07Å; D264-T268 PolarHBondContact O-OG1 3.39Å; D264-K303 IonicContact OD1-NZ 2.75Å; D264-K303 PolarHBondContact OD1-NZ 3.39Å; D264-K303 IonicContact OD2-NZ 3.98Å
265	K	87.9	Confident	83.8	Confident	135 Å²	135	63.1 Å²	63.1	59%	0.587	35%	0.351	S	S	*	.	H	α-helix	trans	-62	-44	172.2	-73.9	165.5	-175	162.6	0	111	D258 N261 Q262 T268 K269	D258-K265 IonicContact OD2-NZ 3.57Å; D258-K265 PolarHBondContact OD2-NZ 2.69Å; N261-K265 WeakPolarHBondContact O-CB 3.36Å; N261-K265 VanDerWaalsContact O-CG 3.24Å; N261-K265 WeakPolarHBondContact O-CG 3.35Å; N261-K265 PolarHBondContact O-N 2.75Å; Q262-K265 PolarHBondContact O-N 2.96Å; K265-T268 PolarHBondContact O-N 2.99Å; K265-K269 VanDerWaalsContact O-CB 3.31Å; K265-K269 WeakPolarHBondContact O-CB 3.48Å; K265-K269 PolarHBondContact O-N 3.25Å
266	W	89	Confident	84.5	Confident	29 Å²	29	62.4 Å²	62.4	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-59.2	-49	174.2	-88.5	119	0	0	0	112.1	L246 Q262 L263 T268 K269 L270 I330 I363	L246-W266 HydrophobicContact CD2-CH2 3.35Å; L246-W266 HydrophobicContact CD2-CZ2 3.95Å; L246-W266 HydrophobicContact CD2-CZ3 4.35Å; Q262-W266 VanDerWaalsContact O-CD1 3.24Å; Q262-W266 PolarHBondContact O-N 2.66Å; L263-W266 WeakPolarHBondContact O-CB 3.44Å; L263-W266 PolarHBondContact O-N 3.41Å; W266-T268 PolarHBondContact O-N 3.47Å; W266-K269 HydrophobicContact CZ3-CD 4.23Å; W266-K269 PolarHBondContact O-N 2.89Å; W266-L270 HydrophobicContact CE3-CD1 3.94Å; W266-L270 HydrophobicContact CE3-CD2 4.4Å; W266-L270 HydrophobicContact CE3-CG 4.08Å; W266-L270 HydrophobicContact CZ3-CD2 4.4Å; W266-L270 WeakPolarHBondContact O-CB 3.47Å; W266-L270 VanDerWaalsContact O-CG 3.24Å; W266-L270 WeakPolarHBondContact O-CG 3.38Å; W266-L270 PolarHBondContact O-N 2.85Å; W266-I330 HydrophobicContact CB-CD1 4.07Å; W266-I363 HydrophobicContact CB-CD1 4.12Å; W266-I363 HydrophobicContact CD2-CD1 3.88Å; W266-I363 HydrophobicContact CE3-CD1 4.03Å; W266-I363 HydrophobicContact CG-CD1 3.92Å
267	F	91.7	Very high	85.3	Confident	8 Å²	8	64.1 Å²	64.1	4%	0.035	35%	0.347	C	S	.	.	H	α-helix	trans	-57.5	-51	178.1	178	-97	0	0	0	111.2	L263 D264 K269 L270 A271 P280 I301 K303 I330	L263-F267 WeakPolarHBondContact O-CB 3.45Å; L263-F267 PolarHBondContact O-N 2.8Å; D264-F267 PolarHBondContact O-N 3.45Å; F267-K269 PolarHBondContact O-N 2.8Å; F267-L270 PolarHBondContact O-N 3.28Å; F267-A271 HydrophobicContact CE1-CB 4.49Å; F267-A271 WeakPolarHBondContact O-CB 3.34Å; F267-A271 PolarHBondContact O-N 2.84Å; F267-P280 HydrophobicContact CD1-CG 4.45Å; F267-P280 HydrophobicContact CE1-CB 3.86Å; F267-P280 HydrophobicContact CE1-CG 3.72Å; F267-P280 HydrophobicContact CZ-CB 4.01Å; F267-P280 HydrophobicContact CZ-CG 4.37Å; F267-I301 HydrophobicContact CD2-CG2 3.89Å; F267-I301 HydrophobicContact CE2-CG2 4.09Å; F267-K303 HydrophobicContact CB-CD 4.2Å; F267-K303 HydrophobicContact CD2-CB 3.57Å; F267-K303 HydrophobicContact CE2-CB 4.03Å; F267-K303 HydrophobicContact CG-CB 4.23Å; F267-K303 HydrophobicContact CG-CD 4.43Å; F267-I330 HydrophobicContact CB-CD1 3.8Å; F267-I330 HydrophobicContact CD2-CD1 4.37Å
268	T	88.6	Confident	86.3	Confident	82 Å²	82	58.8 Å²	58.8	50%	0.503	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-46.3	-178.9	-55.4	0	0	0	0	111.4	D264 K265 W266 T272	D264-T268 WeakPolarHBondContact O-CB 3.38Å; D264-T268 PolarHBondContact O-N 3.07Å; D264-T268 PolarHBondContact O-OG1 3.39Å; K265-T268 PolarHBondContact O-N 2.99Å; W266-T268 PolarHBondContact O-N 3.47Å; T268-T272 WeakPolarHBondContact O-CB 3.27Å; T268-T272 PolarHBondContact O-N 2.82Å; T268-T272 PolarHBondContact O-OG1 3.25Å
269	K	86.1	Confident	86.5	Confident	104 Å²	104	61 Å²	61	45%	0.452	35%	0.349	S	S	.	.	H	α-helix	trans	-59.9	-54.3	178.2	179.6	-179.4	173.6	-177.5	0	111.6	K265 W266 F267 A271 T272 E273	K265-K269 VanDerWaalsContact O-CB 3.31Å; K265-K269 WeakPolarHBondContact O-CB 3.48Å; K265-K269 PolarHBondContact O-N 3.25Å; W266-K269 HydrophobicContact CZ3-CD 4.23Å; W266-K269 PolarHBondContact O-N 2.89Å; F267-K269 PolarHBondContact O-N 2.8Å; K269-A271 PolarHBondContact O-N 3.08Å; K269-T272 PolarHBondContact O-N 3.21Å; K269-E273 WeakPolarHBondContact CE-OE1 3.16Å; K269-E273 WeakPolarHBondContact CG-OE1 3.43Å; K269-E273 WeakPolarHBondContact O-CG 3.36Å; K269-E273 PolarHBondContact O-N 3.44Å
270	L	90	Very high	86.7	Confident	8 Å²	8	63.7 Å²	63.7	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-68.6	-37	-175	-62.7	170.9	0	0	0	111.9	W266 F267 E273 D274 I301 T328 I330 I363 W438	W266-L270 HydrophobicContact CE3-CD1 3.94Å; W266-L270 HydrophobicContact CE3-CD2 4.4Å; W266-L270 HydrophobicContact CE3-CG 4.08Å; W266-L270 HydrophobicContact CZ3-CD2 4.4Å; W266-L270 WeakPolarHBondContact O-CB 3.47Å; W266-L270 VanDerWaalsContact O-CG 3.24Å; W266-L270 WeakPolarHBondContact O-CG 3.38Å; W266-L270 PolarHBondContact O-N 2.85Å; F267-L270 PolarHBondContact O-N 3.28Å; L270-E273 PolarHBondContact O-N 3.02Å; L270-D274 PolarHBondContact O-N 3.34Å; L270-D274 VanDerWaalsContact O-N 3.08Å; L270-I301 HydrophobicContact CB-CG1 3.93Å; L270-I301 HydrophobicContact CB-CG2 4.48Å; L270-I301 WeakPolarHBondContact O-CD1 3.49Å; L270-T328 HydrophobicContact CD1-CG2 3.9Å; L270-I330 HydrophobicContact CD1-CD1 4.49Å; L270-I363 HydrophobicContact CD1-CD1 3.73Å; L270-W438 HydrophobicContact CD1-CH2 4.14Å; L270-W438 HydrophobicContact CD1-CZ2 4.5Å; L270-W438 HydrophobicContact CD2-CH2 4.47Å; L270-W438 HydrophobicContact CD2-CZ2 4.03Å
271	A	87.4	Confident	87	Confident	3 Å²	3	63.2 Å²	63.2	3%	0.025	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-41.7	174.8	0	0	0	0	0	111.3	F267 K269 D274 G275 H276	F267-A271 HydrophobicContact CE1-CB 4.49Å; F267-A271 WeakPolarHBondContact O-CB 3.34Å; F267-A271 PolarHBondContact O-N 2.84Å; K269-A271 PolarHBondContact O-N 3.08Å; A271-D274 CarbonylContact O-C 3.44Å; A271-D274 PolarHBondContact O-N 3.43Å; A271-G275 PolarHBondContact O-N 3.37Å; A271-H276 HydrophobicContact CB-CB 4.15Å; A271-H276 WeakPolarHBondContact O-CA 3.04Å; A271-H276 WeakPolarHBondContact O-CB 3.22Å; A271-H276 PolarHBondContact O-N 3.29Å
272	T	80.8	Confident	87.2	Confident	83 Å²	83	63.9 Å²	63.9	51%	0.509	37%	0.373	S	S	.	.	H	α-helix	trans	-64.6	-42.5	176.1	-54.7	0	0	0	0	111.6	T268 K269 D274 G275 H276	T268-T272 WeakPolarHBondContact O-CB 3.27Å; T268-T272 PolarHBondContact O-N 2.82Å; T268-T272 PolarHBondContact O-OG1 3.25Å; K269-T272 PolarHBondContact O-N 3.21Å; T272-D274 PolarHBondContact O-N 3.03Å; T272-G275 PolarHBondContact O-N 3.36Å; T272-H276 WeakPolarHBondContact CA-O 3.33Å
273	E	81.8	Confident	87.4	Confident	128 Å²	128	62.2 Å²	62.2	60%	0.598	37%	0.367	S	S	*	.	H	α-helix	trans	-62.1	-29.9	175.9	-74	173	-174.6	0	0	112.7	K269 L270 G275	K269-E273 WeakPolarHBondContact CE-OE1 3.16Å; K269-E273 WeakPolarHBondContact CG-OE1 3.43Å; K269-E273 WeakPolarHBondContact O-CG 3.36Å; K269-E273 PolarHBondContact O-N 3.44Å; L270-E273 PolarHBondContact O-N 3.02Å; E273-G275 VanDerWaalsContact C-N 3.29Å
274	D	84.5	Confident	87.5	Confident	50 Å²	50	67.2 Å²	67.2	27%	0.267	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	10.2	174.8	-164.6	60.4	0	0	0	113.2	L270 A271 T272 G299 N300 I301 H327	L270-D274 PolarHBondContact O-N 3.34Å; L270-D274 VanDerWaalsContact O-N 3.08Å; A271-D274 CarbonylContact O-C 3.44Å; A271-D274 PolarHBondContact O-N 3.43Å; T272-D274 PolarHBondContact O-N 3.03Å; D274-G299 WeakPolarHBondContact OD2-CA 3.49Å; D274-N300 PolarHBondContact OD1-ND2 2.94Å; D274-N300 WeakPolarHBondContact OD2-CB 3.43Å; D274-N300 PolarHBondContact OD2-N 3.07Å; D274-N300 PolarHBondContact OD2-ND2 3.45Å; D274-I301 HydrophobicContact CB-CD1 3.3Å; D274-H327 IonicContact OD1-NE2 3.3Å; D274-H327 PolarHBondContact OD1-NE2 2.86Å; D274-H327 VanDerWaalsContact OD1-NE2 3.16Å; D274-H327 IonicContact OD2-NE2 3.46Å
275	G	80.7	Confident	87.6	Confident	60 Å²	60	64.9 Å²	64.9	62%	0.619	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	8	173	0	0	0	0	0	115.5	A271 T272 E273	A271-G275 PolarHBondContact O-N 3.37Å; T272-G275 PolarHBondContact O-N 3.36Å; E273-G275 VanDerWaalsContact C-N 3.29Å
276	H	81.4	Confident	87.6	Confident	36 Å²	36	62.3 Å²	62.3	17%	0.167	38%	0.377	C	S	.	.			trans	-83.6	119.8	173.1	-177.5	84.3	0	0	0	111	A271 T272 P279 G298	A271-H276 HydrophobicContact CB-CB 4.15Å; A271-H276 WeakPolarHBondContact O-CA 3.04Å; A271-H276 WeakPolarHBondContact O-CB 3.22Å; A271-H276 PolarHBondContact O-N 3.29Å; T272-H276 WeakPolarHBondContact CA-O 3.33Å; H276-P279 PolarHBondContact NE2-O 3.44Å; H276-G298 VanDerWaalsContact CG-CA 3.47Å
277	V	79.7	Confident	87.3	Confident	131 Å²	131	61.1 Å²	61.1	79%	0.794	37%	0.373	S	S	*	.			trans	-118.8	120.9	178.3	-176.8	0	0	0	0	109.1
278	G	83.6	Confident	86.9	Confident	52 Å²	52	66.3 Å²	66.3	54%	0.536	39%	0.393	S	S	.	.	S	Bend	trans	123.4	-170.8	179	0	0	0	0	0	113.4
279	P	88.1	Confident	86.4	Confident	104 Å²	104	65.7 Å²	65.7	68%	0.675	40%	0.403	S	S	*	.	S	Bend	trans	-64.6	161	-179.4	27.9	-34.6	0	0	0	112	H276	H276-P279 PolarHBondContact NE2-O 3.44Å
280	P	91.4	Very high	86.4	Confident	58 Å²	58	65.4 Å²	65.4	38%	0.377	40%	0.399	S	S	.	.			trans	-56.3	141.2	171.1	-16.1	26	0	0	0	110.9	F267 Q296	F267-P280 HydrophobicContact CD1-CG 4.45Å; F267-P280 HydrophobicContact CE1-CB 3.86Å; F267-P280 HydrophobicContact CE1-CG 3.72Å; F267-P280 HydrophobicContact CZ-CB 4.01Å; F267-P280 HydrophobicContact CZ-CG 4.37Å; P280-Q296 HydrophobicContact CB-CB 4.03Å; P280-Q296 HydrophobicContact CB-CG 4.05Å; P280-Q296 HydrophobicContact CG-CG 4.45Å
281	V	94.1	Very high	86.4	Confident	72 Å²	72	68.5 Å²	68.5	44%	0.436	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	156.4	176.6	-63.9	0	0	0	0	110.9	G283 T297	V281-G283 PolarHBondContact O-N 3.49Å; V281-T297 WeakPolarHBondContact CG2-O 3.31Å; V281-T297 PolarHBondContact N-O 3.01Å; V281-T297 PolarHBondContact O-N 3.22Å; V281-T297 PolarHBondContact O-OG1 2.86Å
282	V	94.8	Very high	86.6	Confident	99 Å²	99	69.4 Å²	69.4	60%	0.6	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	127	171.7	179.5	0	0	0	0	108.6	F294	V282-F294 WeakPolarHBondContact CA-O 3.45Å
283	G	92.2	Very high	87.2	Confident	7 Å²	7	69.7 Å²	69.7	7%	0.072	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	159.8	175	0	0	0	0	0	111	V281 T293 F294 T297	V281-G283 PolarHBondContact O-N 3.49Å; G283-T293 CarbonylContact O-C 3.57Å; G283-T293 WeakPolarHBondContact O-CA 3.32Å; G283-F294 PolarHBondContact N-O 3.16Å; G283-F294 PolarHBondContact O-N 3.34Å; G283-T297 WeakPolarHBondContact CA-OG1 3.45Å; G283-T297 PolarHBondContact N-OG1 3.45Å
284	E	92.8	Very high	87.9	Confident	106 Å²	106	63.8 Å²	63.8	50%	0.495	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.2	-174	-63.1	-177.5	-178.3	0	0	111.3	V291 V292 T293	E284-V291 HydrophobicContact CB-CG1 3.96Å; E284-V291 HydrophobicContact CG-CG1 4.04Å; E284-V291 VanDerWaalsContact OE2-CG1 3.29Å; E284-V291 WeakPolarHBondContact OE2-CG1 3.44Å; E284-V292 WeakPolarHBondContact CA-O 3.18Å; E284-T293 HydrophobicContact CG-CG2 3.8Å
285	I	92.4	Very high	88.4	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.036	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.4	162.4	64.3	173.3	0	0	0	109.2	V291 V292 F294 D318 L322 R325 F326	I285-V291 WeakPolarHBondContact O-CA 3.47Å; I285-V292 HydrophobicContact CD1-CB 4.3Å; I285-V292 HydrophobicContact CG1-CB 3.79Å; I285-V292 HydrophobicContact CG1-CG2 4.42Å; I285-V292 PolarHBondContact N-O 2.96Å; I285-V292 PolarHBondContact O-N 3.19Å; I285-F294 HydrophobicContact CD1-CE2 4.09Å; I285-F294 HydrophobicContact CD1-CZ 4.35Å; I285-F294 HydrophobicContact CG1-CE2 3.97Å; I285-F294 HydrophobicContact CG2-CE2 4.24Å; I285-D318 WeakPolarHBondContact CD1-O 3.48Å; I285-L322 HydrophobicContact CD1-CB 4.12Å; I285-L322 HydrophobicContact CD1-CD1 3.99Å; I285-L322 HydrophobicContact CG2-CD1 4.37Å; I285-R325 HydrophobicContact CG2-CB 4.05Å; I285-R325 HydrophobicContact CG2-CG 4.26Å; I285-F326 HydrophobicContact CG2-CD2 4.5Å; I285-F326 HydrophobicContact CG2-CE2 3.84Å
286	S	88	Confident	89.1	Confident	81 Å²	81	69.2 Å²	69.2	57%	0.566	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.4	174.9	-175.4	0	0	0	0	109.7	R290	S286-R290 WeakPolarHBondContact CA-O 3.47Å
287	T	84.2	Confident	89.8	Confident	4 Å²	4	67.6 Å²	67.6	3%	0.025	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	117.4	178.2	-55.4	0	0	0	0	108.3	G289 R290 A317 D318 S321	T287-G289 PolarHBondContact O-N 3.22Å; T287-G289 VanDerWaalsContact O-N 3.15Å; T287-R290 PolarHBondContact N-O 3.28Å; T287-R290 WeakPolarHBondContact O-CB 3.47Å; T287-R290 PolarHBondContact O-N 2.94Å; T287-A317 HydrophobicContact CG2-CB 3.7Å; T287-D318 WeakPolarHBondContact CB-OD1 3.38Å; T287-S321 VanDerWaalsContact OG1-CB 3.27Å; T287-S321 WeakPolarHBondContact OG1-CB 3.28Å; T287-S321 PolarHBondContact OG1-OG 2.94Å
288	Y	81.7	Confident	90.3	Very high	117 Å²	117	61.3 Å²	61.3	46%	0.459	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	35.8	-179	-54.8	-56.4	0	0	0	114.6	Y6 V10 R290 A317	Y6-Y288 WeakPolarHBondContact O-CE1 3.38Å; V10-Y288 HydrophobicContact CB-CE1 4.34Å; V10-Y288 VanDerWaalsContact CB-OH 3.27Å; V10-Y288 WeakPolarHBondContact CB-OH 3.44Å; V10-Y288 HydrophobicContact CG2-CD1 4.36Å; V10-Y288 HydrophobicContact CG2-CE1 3.49Å; V10-Y288 VanDerWaalsContact CG2-CE1 3.49Å; V10-Y288 HydrophobicContact CG2-CE2 4.13Å; V10-Y288 VanDerWaalsContact CG2-OH 3.3Å; V10-Y288 WeakPolarHBondContact CG2-OH 3.48Å; Y288-R290 PolarHBondContact O-N 3.12Å; Y288-A317 HydrophobicContact CD2-CB 4.34Å; Y288-A317 HydrophobicContact CE2-CB 3.51Å
289	G	79.6	Confident	90.5	Very high	70 Å²	70	60 Å²	60	72%	0.722	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-7	-178.8	0	0	0	0	0	114.4	T287	T287-G289 PolarHBondContact O-N 3.22Å; T287-G289 VanDerWaalsContact O-N 3.15Å
290	R	84.6	Confident	90.8	Very high	97 Å²	97	57.9 Å²	57.9	37%	0.366	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.4	169.8	-160.8	-178.8	67.5	141.9	-11.9	109.3	S286 T287 Y288 P313 D318	S286-R290 WeakPolarHBondContact CA-O 3.47Å; T287-R290 PolarHBondContact N-O 3.28Å; T287-R290 WeakPolarHBondContact O-CB 3.47Å; T287-R290 PolarHBondContact O-N 2.94Å; Y288-R290 PolarHBondContact O-N 3.12Å; R290-P313 PolarHBondContact NH1-O 2.59Å; R290-P313 PolarHBondContact NH2-O 3.11Å; R290-D318 VanDerWaalsContact NH2-CG 3.3Å; R290-D318 IonicContact NH2-OD1 3.16Å; R290-D318 PolarHBondContact NH2-OD1 3.22Å; R290-D318 VanDerWaalsContact NH2-OD1 3.08Å; R290-D318 IonicContact NH2-OD2 2.8Å; R290-D318 PolarHBondContact NH2-OD2 2.88Å; R290-D318 VanDerWaalsContact NH2-OD2 3.14Å
291	V	90.5	Very high	91	Very high	74 Å²	74	55.1 Å²	55.1	45%	0.448	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.3	176.7	-179.7	0	0	0	0	108.9	E284 I285 T293	E284-V291 HydrophobicContact CB-CG1 3.96Å; E284-V291 HydrophobicContact CG-CG1 4.04Å; E284-V291 VanDerWaalsContact OE2-CG1 3.29Å; E284-V291 WeakPolarHBondContact OE2-CG1 3.44Å; I285-V291 WeakPolarHBondContact O-CA 3.47Å; V291-T293 HydrophobicContact CG1-CG2 4.31Å
292	V	92	Very high	91.1	Very high	21 Å²	21	51.7 Å²	51.7	13%	0.127	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.5	172.1	-177.5	0	0	0	0	107.1	E284 I285 F294 L314	E284-V292 WeakPolarHBondContact CA-O 3.18Å; I285-V292 HydrophobicContact CD1-CB 4.3Å; I285-V292 HydrophobicContact CG1-CB 3.79Å; I285-V292 HydrophobicContact CG1-CG2 4.42Å; I285-V292 PolarHBondContact N-O 2.96Å; I285-V292 PolarHBondContact O-N 3.19Å; V292-F294 HydrophobicContact CG1-CE1 4.23Å; V292-F294 HydrophobicContact CG1-CE2 4.14Å; V292-F294 HydrophobicContact CG1-CZ 3.75Å; V292-L314 HydrophobicContact CG1-CD2 4.42Å; V292-L314 HydrophobicContact CG2-CD2 3.81Å
293	T	93.8	Very high	91.2	Very high	89 Å²	89	47.5 Å²	47.5	55%	0.546	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	137.3	-177	54.8	0	0	0	0	110.5	G283 E284 V291	G283-T293 CarbonylContact O-C 3.57Å; G283-T293 WeakPolarHBondContact O-CA 3.32Å; E284-T293 HydrophobicContact CG-CG2 3.8Å; V291-T293 HydrophobicContact CG1-CG2 4.31Å
294	F	95.8	Very high	91.5	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.022	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.2	174.5	-60.6	-75.6	0	0	0	110.1	V282 G283 I285 V292 Q296 T297 L302 C304 L309 L322 F326	V282-F294 WeakPolarHBondContact CA-O 3.45Å; G283-F294 PolarHBondContact N-O 3.16Å; G283-F294 PolarHBondContact O-N 3.34Å; I285-F294 HydrophobicContact CD1-CE2 4.09Å; I285-F294 HydrophobicContact CD1-CZ 4.35Å; I285-F294 HydrophobicContact CG1-CE2 3.97Å; I285-F294 HydrophobicContact CG2-CE2 4.24Å; V292-F294 HydrophobicContact CG1-CE1 4.23Å; V292-F294 HydrophobicContact CG1-CE2 4.14Å; V292-F294 HydrophobicContact CG1-CZ 3.75Å; F294-Q296 PolarHBondContact O-N 2.96Å; F294-T297 HydrophobicContact CB-CG2 4.08Å; F294-L302 HydrophobicContact CB-CD1 3.38Å; F294-L302 HydrophobicContact CD1-CD1 3.84Å; F294-L302 HydrophobicContact CD1-CD2 4.25Å; F294-L302 HydrophobicContact CD2-CD1 4.03Å; F294-L302 HydrophobicContact CD2-CD2 4.3Å; F294-L302 HydrophobicContact CE1-CD2 4.31Å; F294-L302 HydrophobicContact CE2-CD2 4.34Å; F294-L302 HydrophobicContact CG-CD1 3.47Å; F294-L302 VanDerWaalsContact CG-CD1 3.47Å; F294-L302 HydrophobicContact CG-CD2 4.25Å; F294-L302 HydrophobicContact CZ-CD2 4.35Å; F294-C304 HydrophobicContact CD1-CB 4.03Å; F294-C304 HydrophobicContact CE1-CB 4.49Å; F294-L309 HydrophobicContact CE1-CD2 3.61Å; F294-L309 HydrophobicContact CE1-CG 4.46Å; F294-L309 HydrophobicContact CZ-CD2 3.75Å; F294-L322 HydrophobicContact CD2-CD1 4.42Å; F294-L322 HydrophobicContact CE1-CD1 4.34Å; F294-L322 HydrophobicContact CE2-CD1 3.44Å; F294-L322 VanDerWaalsContact CE2-CD1 3.44Å; F294-L322 HydrophobicContact CZ-CD1 3.4Å; F294-F326 HydrophobicContact CD2-CE2 4.21Å; F294-F326 HydrophobicContact CE2-CE2 4.41Å
295	K	94.4	Very high	91.7	Very high	170 Å²	170	42.8 Å²	42.8	74%	0.739	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70	-32.9	-173.5	-63.8	176.7	-177.1	171.1	0	113.4
296	Q	95.1	Very high	91.9	Very high	53 Å²	53	42.6 Å²	42.6	25%	0.248	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	98	-171.4	-64.9	-174.5	-48	0	0	111.2	P280 F294 K303	P280-Q296 HydrophobicContact CB-CB 4.03Å; P280-Q296 HydrophobicContact CB-CG 4.05Å; P280-Q296 HydrophobicContact CG-CG 4.45Å; F294-Q296 PolarHBondContact O-N 2.96Å; Q296-K303 HydrophobicContact CB-CB 4.14Å; Q296-K303 PolarHBondContact O-N 3.37Å
297	T	96.3	Very high	92.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.2	171.8	68.3	0	0	0	0	110.6	V281 G283 F294 I301 L302 F326	V281-T297 WeakPolarHBondContact CG2-O 3.31Å; V281-T297 PolarHBondContact N-O 3.01Å; V281-T297 PolarHBondContact O-N 3.22Å; V281-T297 PolarHBondContact O-OG1 2.86Å; G283-T297 WeakPolarHBondContact CA-OG1 3.45Å; G283-T297 PolarHBondContact N-OG1 3.45Å; F294-T297 HydrophobicContact CB-CG2 4.08Å; T297-I301 WeakPolarHBondContact CA-O 3.32Å; T297-L302 HydrophobicContact CG2-CD1 3.8Å; T297-F326 HydrophobicContact CG2-CE1 3.78Å; T297-F326 HydrophobicContact CG2-CZ 3.77Å
298	G	90.9	Very high	92.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	118.3	174	0	0	0	0	0	108.1	H276 N300 I301	H276-G298 VanDerWaalsContact CG-CA 3.47Å; G298-N300 PolarHBondContact O-N 3.4Å; G298-N300 VanDerWaalsContact O-N 3.12Å; G298-I301 PolarHBondContact N-O 3.15Å; G298-I301 WeakPolarHBondContact O-CB 3.07Å; G298-I301 WeakPolarHBondContact O-CD1 3.22Å; G298-I301 PolarHBondContact O-N 3.29Å
299	G	88	Confident	93.4	Very high	23 Å²	23	37.7 Å²	37.7	24%	0.237	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-115.7	-171.9	0	0	0	0	0	111.8	D274 R325	D274-G299 WeakPolarHBondContact OD2-CA 3.49Å; G299-R325 PolarHBondContact O-NH1 2.89Å; G299-R325 VanDerWaalsContact O-NH1 3.09Å; G299-R325 PolarHBondContact O-NH2 2.87Å
300	N	93.8	Very high	94.1	Very high	60 Å²	60	34.4 Å²	34.4	32%	0.321	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	22.3	176	-55.9	-62.2	0	0	0	112.7	D274 G298 R325 F326 H327	D274-N300 PolarHBondContact OD1-ND2 2.94Å; D274-N300 WeakPolarHBondContact OD2-CB 3.43Å; D274-N300 PolarHBondContact OD2-N 3.07Å; D274-N300 PolarHBondContact OD2-ND2 3.45Å; G298-N300 PolarHBondContact O-N 3.4Å; G298-N300 VanDerWaalsContact O-N 3.12Å; N300-R325 PolarHBondContact OD1-NH1 3.37Å; N300-R325 PolarHBondContact OD1-O 3.15Å; N300-F326 CarbonylContact O-C 3.59Å; N300-F326 WeakPolarHBondContact O-CA 3.21Å; N300-F326 WeakPolarHBondContact O-CB 3.33Å; N300-H327 WeakPolarHBondContact CB-CD2 3.47Å; N300-H327 WeakPolarHBondContact CB-NE2 3.37Å; N300-H327 PolarHBondContact O-N 3.48Å; N300-H327 VanDerWaalsContact O-N 3.11Å
301	I	95.4	Very high	94.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.1	176.6	-59.4	66.6	0	0	0	108.9	F267 L270 D274 T297 G298 T328 I330	F267-I301 HydrophobicContact CD2-CG2 3.89Å; F267-I301 HydrophobicContact CE2-CG2 4.09Å; L270-I301 HydrophobicContact CB-CG1 3.93Å; L270-I301 HydrophobicContact CB-CG2 4.48Å; L270-I301 WeakPolarHBondContact O-CD1 3.49Å; D274-I301 HydrophobicContact CB-CD1 3.3Å; T297-I301 WeakPolarHBondContact CA-O 3.32Å; G298-I301 PolarHBondContact N-O 3.15Å; G298-I301 WeakPolarHBondContact O-CB 3.07Å; G298-I301 WeakPolarHBondContact O-CD1 3.22Å; G298-I301 PolarHBondContact O-N 3.29Å; I301-T328 WeakPolarHBondContact CA-O 3.26Å; I301-T328 HydrophobicContact CG2-CG2 4.5Å; I301-I330 HydrophobicContact CG2-CD1 4.48Å
302	L	97.5	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.1	174.6	169	64.2	0	0	0	110.2	F294 T297 C304 L322 F326 T328 I329 I330	F294-L302 HydrophobicContact CB-CD1 3.38Å; F294-L302 HydrophobicContact CD1-CD1 3.84Å; F294-L302 HydrophobicContact CD1-CD2 4.25Å; F294-L302 HydrophobicContact CD2-CD1 4.03Å; F294-L302 HydrophobicContact CD2-CD2 4.3Å; F294-L302 HydrophobicContact CE1-CD2 4.31Å; F294-L302 HydrophobicContact CE2-CD2 4.34Å; F294-L302 HydrophobicContact CG-CD1 3.47Å; F294-L302 VanDerWaalsContact CG-CD1 3.47Å; F294-L302 HydrophobicContact CG-CD2 4.25Å; F294-L302 HydrophobicContact CZ-CD2 4.35Å; T297-L302 HydrophobicContact CG2-CD1 3.8Å; L302-C304 HydrophobicContact CD1-CB 4.1Å; L302-C304 HydrophobicContact CG-CB 4.26Å; L302-L322 HydrophobicContact CD2-CD1 3.49Å; L302-L322 VanDerWaalsContact CD2-CD1 3.49Å; L302-L322 HydrophobicContact CD2-CD2 4.49Å; L302-L322 HydrophobicContact CD2-CG 4.18Å; L302-F326 HydrophobicContact CB-CB 4.05Å; L302-F326 HydrophobicContact CB-CD1 3.85Å; L302-F326 HydrophobicContact CB-CD2 3.88Å; L302-F326 HydrophobicContact CB-CE1 4.25Å; L302-F326 HydrophobicContact CB-CE2 4.27Å; L302-F326 HydrophobicContact CB-CG 3.65Å; L302-F326 HydrophobicContact CB-CZ 4.45Å; L302-F326 HydrophobicContact CD2-CD2 3.86Å; L302-F326 HydrophobicContact CD2-CE2 4.08Å; L302-F326 HydrophobicContact CD2-CG 4.45Å; L302-F326 HydrophobicContact CG-CD2 4.43Å; L302-T328 PolarHBondContact N-O 2.91Å; L302-I329 HydrophobicContact CB-CG1 4.39Å; L302-I329 HydrophobicContact CD2-CG1 4.44Å; L302-I329 HydrophobicContact CD2-CG2 4.41Å; L302-I329 CarbonylContact O-C 3.55Å; L302-I329 WeakPolarHBondContact O-CA 3.47Å; L302-I330 PolarHBondContact O-N 3.35Å
303	K	97.3	Very high	94.4	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.5	162.6	178.7	175.3	169.6	176.8	0	109	D264 F267 Q296 I330 Y332	D264-K303 IonicContact OD1-NZ 2.75Å; D264-K303 PolarHBondContact OD1-NZ 3.39Å; D264-K303 IonicContact OD2-NZ 3.98Å; F267-K303 HydrophobicContact CB-CD 4.2Å; F267-K303 HydrophobicContact CD2-CB 3.57Å; F267-K303 HydrophobicContact CE2-CB 4.03Å; F267-K303 HydrophobicContact CG-CB 4.23Å; F267-K303 HydrophobicContact CG-CD 4.43Å; Q296-K303 HydrophobicContact CB-CB 4.14Å; Q296-K303 PolarHBondContact O-N 3.37Å; K303-I330 WeakPolarHBondContact CA-O 3.46Å; K303-I330 HydrophobicContact CB-CB 4.19Å; K303-I330 HydrophobicContact CG-CB 4.27Å; K303-I330 HydrophobicContact CG-CG2 4.24Å; K303-Y332 HydrophobicContact CG-CD1 3.92Å; K303-Y332 HydrophobicContact CG-CE1 3.93Å
304	C	97.3	Very high	94.2	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	157.5	-177.9	58.5	0	0	0	0	112	F294 L302 D308 I330 L331 Y332	F294-C304 HydrophobicContact CD1-CB 4.03Å; F294-C304 HydrophobicContact CE1-CB 4.49Å; L302-C304 HydrophobicContact CD1-CB 4.1Å; L302-C304 HydrophobicContact CG-CB 4.26Å; C304-D308 HydrophobicContact CB-CB 4.29Å; C304-I330 PolarHBondContact N-O 3Å; C304-L331 WeakPolarHBondContact O-CA 3.1Å; C304-Y332 WeakPolarHBondContact O-CD1 3.12Å; C304-Y332 WeakPolarHBondContact O-CE1 3.49Å; C304-Y332 PolarHBondContact O-N 3.2Å
305	S	96.8	Very high	93.6	Very high	11 Å²	11	34 Å²	34	8%	0.077	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	158.7	177.6	69.7	0	0	0	0	111.4	A307 D308 Y332	S305-A307 PolarHBondContact O-N 2.9Å; S305-A307 PolarHBondContact OG-N 2.66Å; S305-D308 WeakPolarHBondContact CB-OD2 2.95Å; S305-D308 PolarHBondContact N-OD2 2.92Å; S305-D308 WeakPolarHBondContact O-CB 3.39Å; S305-D308 PolarHBondContact O-N 3.37Å; S305-D308 VanDerWaalsContact O-N 3.12Å; S305-D308 PolarHBondContact OG-N 3.4Å; S305-D308 PolarHBondContact OG-OD2 3.15Å; S305-Y332 CarbonylContact C-O 3.44Å; S305-Y332 WeakPolarHBondContact CA-O 3.28Å; S305-Y332 VanDerWaalsContact N-CE1 3.3Å
306	F	96.6	Very high	93	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-54.1	-38.3	169.3	179.3	-92.1	0	0	0	111.6	D308 L309 C310 Y332 D333 V334 P335 M337 F348	F306-D308 VanDerWaalsContact C-N 3.3Å; F306-D308 PolarHBondContact O-N 3.06Å; F306-L309 PolarHBondContact O-N 3.09Å; F306-C310 HydrophobicContact CD1-CB 4.02Å; F306-C310 HydrophobicContact CD2-CB 3.99Å; F306-C310 HydrophobicContact CE1-CB 3.61Å; F306-C310 HydrophobicContact CE2-CB 3.59Å; F306-C310 HydrophobicContact CG-CB 4.21Å; F306-C310 HydrophobicContact CZ-CB 3.38Å; F306-C310 WeakPolarHBondContact O-CB 3Å; F306-C310 PolarHBondContact O-N 3.29Å; F306-Y332 PolarHBondContact N-O 2.99Å; F306-D333 WeakPolarHBondContact CB-O 3.34Å; F306-V334 HydrophobicContact CB-CG2 4.26Å; F306-V334 HydrophobicContact CD2-CB 4.29Å; F306-V334 HydrophobicContact CD2-CG1 3.92Å; F306-V334 HydrophobicContact CD2-CG2 4.11Å; F306-V334 HydrophobicContact CE2-CG1 4.25Å; F306-P335 VanDerWaalsContact CD1-CD 3.45Å; F306-P335 HydrophobicContact CD1-CG 3.96Å; F306-P335 HydrophobicContact CE1-CG 3.81Å; F306-P335 VanDerWaalsContact CG-CD 3.5Å; F306-P335 HydrophobicContact CG-CG 4.46Å; F306-P335 HydrophobicContact CZ-CG 4.18Å; F306-M337 HydrophobicContact CE2-SD 3.77Å; F306-M337 HydrophobicContact CZ-CG 4.36Å; F306-M337 HydrophobicContact CZ-SD 3.82Å; F306-F348 HydrophobicContact CD2-CD2 4.26Å; F306-F348 HydrophobicContact CE2-CB 4.09Å; F306-F348 AromaticContact CE2-CD2 3.79Å; F306-F348 HydrophobicContact CE2-CD2 3.79Å; F306-F348 HydrophobicContact CE2-CG 4.16Å
307	A	96	Very high	92.5	Very high	42 Å²	42	26.6 Å²	26.6	35%	0.347	18%	0.176	S	C	.	.	H	α-helix	trans	-62.3	-38.3	179.5	0	0	0	0	0	112.3	S305 L309 N311	S305-A307 PolarHBondContact O-N 2.9Å; S305-A307 PolarHBondContact OG-N 2.66Å; A307-L309 PolarHBondContact O-N 3.38Å; A307-N311 HydrophobicContact CB-CB 4.29Å; A307-N311 PolarHBondContact O-N 2.88Å
308	D	95.3	Very high	92.2	Very high	57 Å²	57	27.2 Å²	27.2	31%	0.305	18%	0.18	S	C	.	.	H	α-helix	trans	-66.2	-19.8	-179.9	-61.4	-43.4	0	0	0	113.5	C304 S305 F306 V312	C304-D308 HydrophobicContact CB-CB 4.29Å; S305-D308 WeakPolarHBondContact CB-OD2 2.95Å; S305-D308 PolarHBondContact N-OD2 2.92Å; S305-D308 WeakPolarHBondContact O-CB 3.39Å; S305-D308 PolarHBondContact O-N 3.37Å; S305-D308 VanDerWaalsContact O-N 3.12Å; S305-D308 PolarHBondContact OG-N 3.4Å; S305-D308 PolarHBondContact OG-OD2 3.15Å; F306-D308 VanDerWaalsContact C-N 3.3Å; F306-D308 PolarHBondContact O-N 3.06Å; D308-V312 WeakPolarHBondContact O-CG2 2.91Å
309	L	95	Very high	92.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-114.3	-35.6	-179	-68.8	-176.3	0	0	0	114.5	F294 F306 A307 L314 Y319 L322 L331 L351	F294-L309 HydrophobicContact CE1-CD2 3.61Å; F294-L309 HydrophobicContact CE1-CG 4.46Å; F294-L309 HydrophobicContact CZ-CD2 3.75Å; F306-L309 PolarHBondContact O-N 3.09Å; A307-L309 PolarHBondContact O-N 3.38Å; L309-L314 HydrophobicContact CD2-CD1 3.74Å; L309-Y319 HydrophobicContact CB-CE1 4.49Å; L309-Y319 PolarHBondContact O-OH 3.28Å; L309-L322 HydrophobicContact CD1-CD2 3.95Å; L309-L322 HydrophobicContact CD2-CD1 4.28Å; L309-L322 HydrophobicContact CD2-CD2 3.84Å; L309-L331 HydrophobicContact CD1-CD1 3.9Å; L309-L351 HydrophobicContact CB-CD2 4.41Å; L309-L351 HydrophobicContact CD1-CD1 4.28Å; L309-L351 HydrophobicContact CD1-CD2 3.81Å
310	C	94.7	Very high	92.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-114.2	-19.8	-167.7	-60.8	0	0	0	0	113.6	F306 S344 R347	F306-C310 HydrophobicContact CD1-CB 4.02Å; F306-C310 HydrophobicContact CD2-CB 3.99Å; F306-C310 HydrophobicContact CE1-CB 3.61Å; F306-C310 HydrophobicContact CE2-CB 3.59Å; F306-C310 HydrophobicContact CG-CB 4.21Å; F306-C310 HydrophobicContact CZ-CB 3.38Å; F306-C310 WeakPolarHBondContact O-CB 3Å; F306-C310 PolarHBondContact O-N 3.29Å; C310-S344 PolarHBondContact O-OG 2.76Å; C310-R347 HydrophobicContact CB-CB 4.35Å; C310-R347 WeakPolarHBondContact O-CD 3.35Å; C310-R347 PolarHBondContact O-NH1 3.35Å
311	N	93	Very high	92.4	Very high	92 Å²	92	24.3 Å²	24.3	49%	0.492	16%	0.16	S	C	.	.	S	Bend	trans	-95.8	1.9	173.6	-66.4	-15.6	0	0	0	113.2	A307 S344	A307-N311 HydrophobicContact CB-CB 4.29Å; A307-N311 PolarHBondContact O-N 2.88Å; N311-S344 PolarHBondContact OD1-OG 3.02Å
312	V	90.9	Very high	92.4	Very high	51 Å²	51	24.3 Å²	24.3	31%	0.309	16%	0.16	S	C	.	.	S	Bend	trans	-109.3	155.5	174.8	-73.3	0	0	0	0	110.6	D308 L314 R347	D308-V312 WeakPolarHBondContact O-CG2 2.91Å; V312-L314 HydrophobicContact CG2-CD1 4Å; V312-L314 HydrophobicContact CG2-CD2 4.33Å; V312-L314 HydrophobicContact CG2-CG 3.68Å; V312-L314 PolarHBondContact O-N 3.34Å; V312-R347 WeakPolarHBondContact O-CD 3.01Å; V312-R347 PolarHBondContact O-NE 2.76Å
313	P	87.9	Confident	92.2	Very high	96 Å²	96	24.3 Å²	24.3	62%	0.623	16%	0.16	S	C	*	.			trans	-76.5	71.1	179.5	32.6	-35.8	0	0	0	111	R290	R290-P313 PolarHBondContact NH1-O 2.59Å; R290-P313 PolarHBondContact NH2-O 3.11Å
314	L	89.4	Confident	91.9	Very high	11 Å²	11	28.2 Å²	28.2	6%	0.058	18%	0.177	C	C	.	.			trans	-95.2	147.3	166.8	-57.6	-172.4	0	0	0	109.8	V292 L309 V312 D318 Y319	V292-L314 HydrophobicContact CG1-CD2 4.42Å; V292-L314 HydrophobicContact CG2-CD2 3.81Å; L309-L314 HydrophobicContact CD2-CD1 3.74Å; V312-L314 HydrophobicContact CG2-CD1 4Å; V312-L314 HydrophobicContact CG2-CD2 4.33Å; V312-L314 HydrophobicContact CG2-CG 3.68Å; V312-L314 PolarHBondContact O-N 3.34Å; L314-D318 WeakPolarHBondContact CA-OD2 3.44Å; L314-D318 HydrophobicContact CB-CB 4.06Å; L314-D318 HydrophobicContact CD2-CB 4.16Å; L314-D318 HydrophobicContact CG-CB 4.49Å; L314-Y319 HydrophobicContact CB-CE1 3.78Å; L314-Y319 HydrophobicContact CD1-CE1 3.85Å; L314-Y319 HydrophobicContact CG-CE1 4.46Å
315	G	83.5	Confident	91.7	Very high	27 Å²	27	32.6 Å²	32.6	28%	0.278	19%	0.193	S	C	.	.			trans	-121.2	-179.1	175	0	0	0	0	0	112.8	A317 D318 Y319	G315-A317 PolarHBondContact O-N 3.06Å; G315-A317 VanDerWaalsContact O-N 3.1Å; G315-D318 PolarHBondContact N-OD2 3.39Å; G315-D318 WeakPolarHBondContact O-CB 3.42Å; G315-D318 PolarHBondContact O-N 3.38Å; G315-Y319 WeakPolarHBondContact O-CD2 3.08Å; G315-Y319 PolarHBondContact O-N 3.32Å; G315-Y319 VanDerWaalsContact O-N 3.14Å
316	A	82.1	Confident	91.7	Very high	49 Å²	49	32.1 Å²	32.1	41%	0.405	19%	0.19	S	C	.	.	H	α-helix	trans	-53.5	-35.4	-178.7	0	0	0	0	0	113.5	Y319 M320	A316-Y319 PolarHBondContact O-N 2.82Å; A316-M320 WeakPolarHBondContact O-CB 3.21Å; A316-M320 PolarHBondContact O-N 3.19Å
317	A	84.3	Confident	91.5	Very high	19 Å²	19	32.7 Å²	32.7	16%	0.157	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-38.8	176.3	0	0	0	0	0	112.9	V10 T287 Y288 G315 M320 S321	V10-A317 HydrophobicContact CB-CB 4.49Å; V10-A317 HydrophobicContact CG1-CB 3.65Å; T287-A317 HydrophobicContact CG2-CB 3.7Å; Y288-A317 HydrophobicContact CD2-CB 4.34Å; Y288-A317 HydrophobicContact CE2-CB 3.51Å; G315-A317 PolarHBondContact O-N 3.06Å; G315-A317 VanDerWaalsContact O-N 3.1Å; A317-M320 PolarHBondContact O-N 2.86Å; A317-S321 PolarHBondContact O-N 3.08Å; A317-S321 PolarHBondContact O-OG 3.14Å
318	D	91.4	Very high	91.5	Very high	15 Å²	15	30.8 Å²	30.8	8%	0.08	18%	0.176	C	C	.	.	H	α-helix	trans	-68.1	-45.5	177.6	-58.9	-72.9	0	0	0	110.3	I285 T287 R290 L314 G315 M320 S321 L322	I285-D318 WeakPolarHBondContact CD1-O 3.48Å; T287-D318 WeakPolarHBondContact CB-OD1 3.38Å; R290-D318 VanDerWaalsContact NH2-CG 3.3Å; R290-D318 IonicContact NH2-OD1 3.16Å; R290-D318 PolarHBondContact NH2-OD1 3.22Å; R290-D318 VanDerWaalsContact NH2-OD1 3.08Å; R290-D318 IonicContact NH2-OD2 2.8Å; R290-D318 PolarHBondContact NH2-OD2 2.88Å; R290-D318 VanDerWaalsContact NH2-OD2 3.14Å; L314-D318 WeakPolarHBondContact CA-OD2 3.44Å; L314-D318 HydrophobicContact CB-CB 4.06Å; L314-D318 HydrophobicContact CD2-CB 4.16Å; L314-D318 HydrophobicContact CG-CB 4.49Å; G315-D318 PolarHBondContact N-OD2 3.39Å; G315-D318 WeakPolarHBondContact O-CB 3.42Å; G315-D318 PolarHBondContact O-N 3.38Å; D318-M320 VanDerWaalsContact C-N 3.25Å; D318-M320 PolarHBondContact O-N 3.14Å; D318-S321 WeakPolarHBondContact O-CB 3.48Å; D318-S321 PolarHBondContact O-N 2.94Å; D318-L322 WeakPolarHBondContact O-CB 3.39Å; D318-L322 PolarHBondContact O-N 3.2Å
319	Y	94.3	Very high	91.6	Very high	1 Å²	1	28 Å²	28	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-33.6	175.9	-58.8	-41.1	0	0	0	112.3	L309 L314 G315 A316 L322 A323 R347 H350 L351 V354	L309-Y319 HydrophobicContact CB-CE1 4.49Å; L309-Y319 PolarHBondContact O-OH 3.28Å; L314-Y319 HydrophobicContact CB-CE1 3.78Å; L314-Y319 HydrophobicContact CD1-CE1 3.85Å; L314-Y319 HydrophobicContact CG-CE1 4.46Å; G315-Y319 WeakPolarHBondContact O-CD2 3.08Å; G315-Y319 PolarHBondContact O-N 3.32Å; G315-Y319 VanDerWaalsContact O-N 3.14Å; A316-Y319 PolarHBondContact O-N 2.82Å; Y319-L322 VanDerWaalsContact O-CB 3.3Å; Y319-L322 WeakPolarHBondContact O-CB 3.05Å; Y319-L322 PolarHBondContact O-N 3.06Å; Y319-A323 WeakPolarHBondContact O-CB 3.17Å; Y319-A323 PolarHBondContact O-N 3.38Å; Y319-R347 WeakPolarHBondContact CE2-O 3.28Å; Y319-R347 WeakPolarHBondContact OH-CB 3.42Å; Y319-H350 HydrophobicContact CD2-CB 4.09Å; Y319-H350 HydrophobicContact CE2-CB 4.01Å; Y319-L351 HydrophobicContact CD1-CB 4.26Å; Y319-L351 HydrophobicContact CD1-CD1 3.65Å; Y319-L351 HydrophobicContact CD2-CB 4.28Å; Y319-L351 HydrophobicContact CE1-CB 4.21Å; Y319-L351 HydrophobicContact CE1-CD1 4.12Å; Y319-L351 HydrophobicContact CE2-CB 4.24Å; Y319-L351 HydrophobicContact CG-CB 4.3Å; Y319-L351 HydrophobicContact CG-CD1 4.07Å; Y319-V354 WeakPolarHBondContact O-CG1 3.47Å
320	M	89.8	Confident	91.7	Very high	4 Å²	4	28 Å²	28	2%	0.02	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-44.5	174.3	-171.9	53.1	57.3	0	0	111.7	I14 Y18 A316 A317 D318 L322 A323 K324 V354 T358	I14-M320 HydrophobicContact CB-CE 4.32Å; I14-M320 HydrophobicContact CD1-CE 4.01Å; I14-M320 HydrophobicContact CG1-CE 3.64Å; I14-M320 HydrophobicContact CG1-CG 3.9Å; I14-M320 HydrophobicContact CG1-SD 4.15Å; I14-M320 HydrophobicContact CG2-CE 4.29Å; Y18-M320 WeakPolarHBondContact OH-CE 3.42Å; Y18-M320 PolarHBondContact OH-SD 3.42Å; Y18-M320 VanDerWaalsContact OH-SD 3.42Å; A316-M320 WeakPolarHBondContact O-CB 3.21Å; A316-M320 PolarHBondContact O-N 3.19Å; A317-M320 PolarHBondContact O-N 2.86Å; D318-M320 VanDerWaalsContact C-N 3.25Å; D318-M320 PolarHBondContact O-N 3.14Å; M320-L322 VanDerWaalsContact C-N 3.3Å; M320-L322 PolarHBondContact O-N 3.22Å; M320-A323 PolarHBondContact O-N 2.91Å; M320-K324 VanDerWaalsContact O-CG 3.32Å; M320-K324 WeakPolarHBondContact O-CG 3.2Å; M320-K324 PolarHBondContact O-N 3.1Å; M320-V354 HydrophobicContact CE-CB 4.5Å; M320-V354 HydrophobicContact CE-CG1 3.71Å; M320-V354 HydrophobicContact CE-CG2 4.23Å; M320-V354 HydrophobicContact SD-CG1 4.46Å; M320-T358 HydrophobicContact CE-CG2 4.18Å; M320-T358 HydrophobicContact SD-CG2 3.93Å
321	S	92.3	Very high	91.8	Very high	18 Å²	18	28 Å²	28	13%	0.126	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-40.8	173.7	-62.9	0	0	0	0	111.6	T287 A317 D318 K324 R325	T287-S321 VanDerWaalsContact OG1-CB 3.27Å; T287-S321 WeakPolarHBondContact OG1-CB 3.28Å; T287-S321 PolarHBondContact OG1-OG 2.94Å; A317-S321 PolarHBondContact O-N 3.08Å; A317-S321 PolarHBondContact O-OG 3.14Å; D318-S321 WeakPolarHBondContact O-CB 3.48Å; D318-S321 PolarHBondContact O-N 2.94Å; S321-K324 PolarHBondContact O-N 3.34Å; S321-R325 WeakPolarHBondContact O-CB 2.88Å; S321-R325 PolarHBondContact O-N 3.49Å
322	L	94.7	Very high	92	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56	-54.9	174.2	-166.8	78.6	0	0	0	111.3	I285 F294 L302 L309 D318 Y319 M320 K324 R325 F326 I329 L351	I285-L322 HydrophobicContact CD1-CB 4.12Å; I285-L322 HydrophobicContact CD1-CD1 3.99Å; I285-L322 HydrophobicContact CG2-CD1 4.37Å; F294-L322 HydrophobicContact CD2-CD1 4.42Å; F294-L322 HydrophobicContact CE1-CD1 4.34Å; F294-L322 HydrophobicContact CE2-CD1 3.44Å; F294-L322 VanDerWaalsContact CE2-CD1 3.44Å; F294-L322 HydrophobicContact CZ-CD1 3.4Å; L302-L322 HydrophobicContact CD2-CD1 3.49Å; L302-L322 VanDerWaalsContact CD2-CD1 3.49Å; L302-L322 HydrophobicContact CD2-CD2 4.49Å; L302-L322 HydrophobicContact CD2-CG 4.18Å; L309-L322 HydrophobicContact CD1-CD2 3.95Å; L309-L322 HydrophobicContact CD2-CD1 4.28Å; L309-L322 HydrophobicContact CD2-CD2 3.84Å; D318-L322 WeakPolarHBondContact O-CB 3.39Å; D318-L322 PolarHBondContact O-N 3.2Å; Y319-L322 VanDerWaalsContact O-CB 3.3Å; Y319-L322 WeakPolarHBondContact O-CB 3.05Å; Y319-L322 PolarHBondContact O-N 3.06Å; M320-L322 VanDerWaalsContact C-N 3.3Å; M320-L322 PolarHBondContact O-N 3.22Å; L322-K324 VanDerWaalsContact C-N 3.3Å; L322-K324 PolarHBondContact O-N 2.78Å; L322-R325 PolarHBondContact O-N 3.42Å; L322-F326 HydrophobicContact CD1-CD2 3.99Å; L322-F326 HydrophobicContact CD1-CE2 4.19Å; L322-F326 HydrophobicContact CG-CD2 4.38Å; L322-F326 PolarHBondContact O-N 3.02Å; L322-I329 HydrophobicContact CD2-CD1 3.65Å; L322-I329 HydrophobicContact CG-CD1 3.9Å; L322-L351 HydrophobicContact CD2-CD1 3.93Å
323	A	93.7	Very high	92.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.1	-32	-177.8	0	0	0	0	0	113.3	Y319 M320 F326 V354 L355 T358 R445	Y319-A323 WeakPolarHBondContact O-CB 3.17Å; Y319-A323 PolarHBondContact O-N 3.38Å; M320-A323 PolarHBondContact O-N 2.91Å; A323-F326 VanDerWaalsContact O-O 3.05Å; A323-V354 HydrophobicContact CB-CG1 3.99Å; A323-L355 HydrophobicContact CB-CD2 4.01Å; A323-T358 HydrophobicContact CB-CG2 3.68Å; A323-T358 VanDerWaalsContact CB-OG1 3.26Å; A323-T358 WeakPolarHBondContact CB-OG1 3.21Å; A323-R445 PolarHBondContact O-NH1 3.24Å; A323-R445 PolarHBondContact O-NH2 2.81Å; A323-R445 VanDerWaalsContact O-NH2 3.17Å
324	K	91.2	Very high	92.5	Very high	93 Å²	93	22.7 Å²	22.7	40%	0.404	12%	0.123	S	C	.	.	H	α-helix	trans	-68.9	-43.6	173.1	-73.3	170.5	-176.8	172.8	0	112.4	M320 S321 L322 R445	M320-K324 VanDerWaalsContact O-CG 3.32Å; M320-K324 WeakPolarHBondContact O-CG 3.2Å; M320-K324 PolarHBondContact O-N 3.1Å; S321-K324 PolarHBondContact O-N 3.34Å; L322-K324 VanDerWaalsContact C-N 3.3Å; L322-K324 PolarHBondContact O-N 2.78Å; K324-R445 PolarHBondContact O-NH2 2.87Å; K324-R445 VanDerWaalsContact O-NH2 3.13Å
325	R	93.3	Very high	92.7	Very high	95 Å²	95	23.7 Å²	23.7	36%	0.358	13%	0.13	S	C	.	.	H	α-helix	trans	-72.1	-38.7	-177.4	176.5	60.6	-171.7	93.7	0.4	112	I285 G299 N300 S321 L322	I285-R325 HydrophobicContact CG2-CB 4.05Å; I285-R325 HydrophobicContact CG2-CG 4.26Å; G299-R325 PolarHBondContact O-NH1 2.89Å; G299-R325 VanDerWaalsContact O-NH1 3.09Å; G299-R325 PolarHBondContact O-NH2 2.87Å; N300-R325 PolarHBondContact OD1-NH1 3.37Å; N300-R325 PolarHBondContact OD1-O 3.15Å; S321-R325 WeakPolarHBondContact O-CB 2.88Å; S321-R325 PolarHBondContact O-N 3.49Å; L322-R325 PolarHBondContact O-N 3.42Å
326	F	95.5	Very high	93	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.			trans	-120.8	114.3	-175.7	-52.7	-70.7	0	0	0	110.1	I285 F294 T297 N300 L302 L322 A323 T328 I329	I285-F326 HydrophobicContact CG2-CD2 4.5Å; I285-F326 HydrophobicContact CG2-CE2 3.84Å; F294-F326 HydrophobicContact CD2-CE2 4.21Å; F294-F326 HydrophobicContact CE2-CE2 4.41Å; T297-F326 HydrophobicContact CG2-CE1 3.78Å; T297-F326 HydrophobicContact CG2-CZ 3.77Å; N300-F326 CarbonylContact O-C 3.59Å; N300-F326 WeakPolarHBondContact O-CA 3.21Å; N300-F326 WeakPolarHBondContact O-CB 3.33Å; L302-F326 HydrophobicContact CB-CB 4.05Å; L302-F326 HydrophobicContact CB-CD1 3.85Å; L302-F326 HydrophobicContact CB-CD2 3.88Å; L302-F326 HydrophobicContact CB-CE1 4.25Å; L302-F326 HydrophobicContact CB-CE2 4.27Å; L302-F326 HydrophobicContact CB-CG 3.65Å; L302-F326 HydrophobicContact CB-CZ 4.45Å; L302-F326 HydrophobicContact CD2-CD2 3.86Å; L302-F326 HydrophobicContact CD2-CE2 4.08Å; L302-F326 HydrophobicContact CD2-CG 4.45Å; L302-F326 HydrophobicContact CG-CD2 4.43Å; L322-F326 HydrophobicContact CD1-CD2 3.99Å; L322-F326 HydrophobicContact CD1-CE2 4.19Å; L322-F326 HydrophobicContact CG-CD2 4.38Å; L322-F326 PolarHBondContact O-N 3.02Å; A323-F326 VanDerWaalsContact O-O 3.05Å; F326-T328 VanDerWaalsContact C-N 3.26Å; F326-I329 HydrophobicContact CB-CG1 4.2Å
327	H	94	Very high	93.3	Very high	16 Å²	16	23.5 Å²	23.5	7%	0.074	11%	0.114	C	C	.	.	S	Bend	trans	-80.3	-13.8	176.8	66.7	55.3	0	0	0	112.2	D274 N300 T360 R361 G442	D274-H327 IonicContact OD1-NE2 3.3Å; D274-H327 PolarHBondContact OD1-NE2 2.86Å; D274-H327 VanDerWaalsContact OD1-NE2 3.16Å; D274-H327 IonicContact OD2-NE2 3.46Å; N300-H327 WeakPolarHBondContact CB-CD2 3.47Å; N300-H327 WeakPolarHBondContact CB-NE2 3.37Å; N300-H327 PolarHBondContact O-N 3.48Å; N300-H327 VanDerWaalsContact O-N 3.11Å; H327-T360 WeakPolarHBondContact O-CG2 3.33Å; H327-R361 PolarHBondContact O-N 3.13Å; H327-G442 VanDerWaalsContact O-CA 3.27Å; H327-G442 WeakPolarHBondContact O-CA 3.49Å
328	T	95.4	Very high	93.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.3	175.6	-57.1	0	0	0	0	110	L270 I301 L302 F326 R361	L270-T328 HydrophobicContact CD1-CG2 3.9Å; I301-T328 WeakPolarHBondContact CA-O 3.26Å; I301-T328 HydrophobicContact CG2-CG2 4.5Å; L302-T328 PolarHBondContact N-O 2.91Å; F326-T328 VanDerWaalsContact C-N 3.26Å; T328-R361 WeakPolarHBondContact CA-O 3.29Å; T328-R361 HydrophobicContact CG2-CB 3.9Å
329	I	97.3	Very high	92.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.7	179.8	-60.6	173.9	0	0	0	109.1	L302 L322 F326 L355 T360 R361 L362 I363	L302-I329 HydrophobicContact CB-CG1 4.39Å; L302-I329 HydrophobicContact CD2-CG1 4.44Å; L302-I329 HydrophobicContact CD2-CG2 4.41Å; L302-I329 CarbonylContact O-C 3.55Å; L302-I329 WeakPolarHBondContact O-CA 3.47Å; L322-I329 HydrophobicContact CD2-CD1 3.65Å; L322-I329 HydrophobicContact CG-CD1 3.9Å; F326-I329 HydrophobicContact CB-CG1 4.2Å; I329-L355 HydrophobicContact CD1-CD1 3.98Å; I329-L355 HydrophobicContact CD1-CD2 3.56Å; I329-L355 HydrophobicContact CD1-CG 4.42Å; I329-T360 HydrophobicContact CD1-CG2 3.95Å; I329-T360 HydrophobicContact CG1-CG2 4Å; I329-R361 PolarHBondContact N-O 3.38Å; I329-L362 HydrophobicContact CB-CD1 4.21Å; I329-L362 HydrophobicContact CG2-CD1 4.14Å; I329-L362 CarbonylContact O-C 3.56Å; I329-L362 WeakPolarHBondContact O-CA 3.46Å; I329-I363 PolarHBondContact O-N 2.74Å
330	I	97	Very high	91.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	112.5	171.4	-55.4	-179.9	0	0	0	106.7	L263 W266 F267 L270 I301 L302 K303 C304 I363	L263-I330 HydrophobicContact CB-CG2 4.29Å; L263-I330 HydrophobicContact CD2-CG2 3.67Å; L263-I330 HydrophobicContact CG-CG2 4.47Å; W266-I330 HydrophobicContact CB-CD1 4.07Å; F267-I330 HydrophobicContact CB-CD1 3.8Å; F267-I330 HydrophobicContact CD2-CD1 4.37Å; L270-I330 HydrophobicContact CD1-CD1 4.49Å; I301-I330 HydrophobicContact CG2-CD1 4.48Å; L302-I330 PolarHBondContact O-N 3.35Å; K303-I330 WeakPolarHBondContact CA-O 3.46Å; K303-I330 HydrophobicContact CB-CB 4.19Å; K303-I330 HydrophobicContact CG-CB 4.27Å; K303-I330 HydrophobicContact CG-CG2 4.24Å; C304-I330 PolarHBondContact N-O 3Å; I330-I363 WeakPolarHBondContact CA-O 3.45Å; I330-I363 HydrophobicContact CD1-CD1 4.41Å; I330-I363 HydrophobicContact CG1-CB 4.21Å; I330-I363 HydrophobicContact CG1-CD1 4.18Å; I330-I363 HydrophobicContact CG2-CB 4.34Å; I330-I363 HydrophobicContact CG2-CG2 4.34Å
331	L	97.4	Very high	91.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.1	-177.8	-172.6	64.5	0	0	0	109.7	C304 L309 V334 F348 L351 L362 I363 I364 G365	C304-L331 WeakPolarHBondContact O-CA 3.1Å; L309-L331 HydrophobicContact CD1-CD1 3.9Å; L331-V334 HydrophobicContact CB-CG2 4.49Å; L331-V334 HydrophobicContact CD2-CG2 3.76Å; L331-V334 HydrophobicContact CG-CG2 3.73Å; L331-F348 HydrophobicContact CD2-CD2 4.37Å; L331-F348 HydrophobicContact CD2-CE2 3.96Å; L331-L351 HydrophobicContact CD2-CD2 4.11Å; L331-L362 HydrophobicContact CB-CD1 4.08Å; L331-I363 PolarHBondContact N-O 3.1Å; L331-I364 CarbonylContact O-C 3.54Å; L331-I364 VanDerWaalsContact O-CA 3.29Å; L331-I364 WeakPolarHBondContact O-CA 3.46Å; L331-G365 PolarHBondContact O-N 3.3Å
332	Y	95.8	Very high	90.7	Very high	49 Å²	49	30.3 Å²	30.3	19%	0.192	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	171.1	-177.9	67.8	-94.3	0	0	0	112.1	K303 C304 S305 F306 V334 G365	K303-Y332 HydrophobicContact CG-CD1 3.92Å; K303-Y332 HydrophobicContact CG-CE1 3.93Å; C304-Y332 WeakPolarHBondContact O-CD1 3.12Å; C304-Y332 WeakPolarHBondContact O-CE1 3.49Å; C304-Y332 PolarHBondContact O-N 3.2Å; S305-Y332 CarbonylContact C-O 3.44Å; S305-Y332 WeakPolarHBondContact CA-O 3.28Å; S305-Y332 VanDerWaalsContact N-CE1 3.3Å; F306-Y332 PolarHBondContact N-O 2.99Å; Y332-V334 VanDerWaalsContact C-N 3.25Å; Y332-V334 PolarHBondContact O-N 3.46Å; Y332-G365 CarbonylContact C-O 3.46Å
333	D	94.8	Very high	90.3	Very high	77 Å²	77	33.8 Å²	33.8	41%	0.412	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.1	35	-173.8	-59.7	-28.8	0	0	0	114.2	F306 P335 G365	F306-D333 WeakPolarHBondContact CB-O 3.34Å; D333-P335 WeakPolarHBondContact O-CD 3.48Å; D333-G365 PolarHBondContact N-O 2.84Å
334	V	95.5	Very high	90.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	113.3	177.1	-176.4	0	0	0	0	109	F306 L331 Y332 M337 F348 I364 G365 A366 N367 L373	F306-V334 HydrophobicContact CB-CG2 4.26Å; F306-V334 HydrophobicContact CD2-CB 4.29Å; F306-V334 HydrophobicContact CD2-CG1 3.92Å; F306-V334 HydrophobicContact CD2-CG2 4.11Å; F306-V334 HydrophobicContact CE2-CG1 4.25Å; L331-V334 HydrophobicContact CB-CG2 4.49Å; L331-V334 HydrophobicContact CD2-CG2 3.76Å; L331-V334 HydrophobicContact CG-CG2 3.73Å; Y332-V334 VanDerWaalsContact C-N 3.25Å; Y332-V334 PolarHBondContact O-N 3.46Å; V334-M337 HydrophobicContact CG1-CE 4.09Å; V334-F348 HydrophobicContact CG1-CE2 4.37Å; V334-I364 HydrophobicContact CB-CG2 4.17Å; V334-I364 HydrophobicContact CG2-CG2 3.82Å; V334-G365 PolarHBondContact N-O 2.9Å; V334-A366 HydrophobicContact CB-CB 3.97Å; V334-A366 CarbonylContact O-C 3.58Å; V334-A366 VanDerWaalsContact O-CA 3.28Å; V334-A366 WeakPolarHBondContact O-CA 3.34Å; V334-N367 PolarHBondContact O-N 3.22Å; V334-L373 HydrophobicContact CG1-CD1 3.81Å
335	P	93.6	Very high	90	Very high	32 Å²	32	30 Å²	30	21%	0.208	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-74.8	163.6	-178.7	33.7	-35.4	0	0	0	110.5	F306 D333 M337	F306-P335 VanDerWaalsContact CD1-CD 3.45Å; F306-P335 HydrophobicContact CD1-CG 3.96Å; F306-P335 HydrophobicContact CE1-CG 3.81Å; F306-P335 VanDerWaalsContact CG-CD 3.5Å; F306-P335 HydrophobicContact CG-CG 4.46Å; F306-P335 HydrophobicContact CZ-CG 4.18Å; D333-P335 WeakPolarHBondContact O-CD 3.48Å; P335-M337 HydrophobicContact CG-CG 4.39Å; P335-M337 PolarHBondContact O-N 2.79Å
336	Q	90.9	Very high	89.6	Confident	73 Å²	73	28.3 Å²	28.3	34%	0.341	14%	0.144	S	C	.	.	P	Polyproline II helix	trans	-60.8	125.5	159.1	-177.1	170.6	53.6	0	0	108.5	N341 N372 L375	Q336-N341 PolarHBondContact O-ND2 3.39Å; Q336-N372 WeakPolarHBondContact CG-O 3.27Å; Q336-N372 PolarHBondContact NE2-O 3.28Å; Q336-L375 HydrophobicContact CG-CB 4.26Å
337	M	88	Confident	89.4	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	151.9	-178.2	-68.4	169.8	-75	0	0	111	F306 V334 P335 N341 L345 F348 L373 L374 L375	F306-M337 HydrophobicContact CE2-SD 3.77Å; F306-M337 HydrophobicContact CZ-CG 4.36Å; F306-M337 HydrophobicContact CZ-SD 3.82Å; V334-M337 HydrophobicContact CG1-CE 4.09Å; P335-M337 HydrophobicContact CG-CG 4.39Å; P335-M337 PolarHBondContact O-N 2.79Å; M337-N341 WeakPolarHBondContact CA-OD1 3.34Å; M337-L345 HydrophobicContact CB-CB 4.34Å; M337-L345 HydrophobicContact CB-CD1 4Å; M337-L345 HydrophobicContact CB-CG 4.5Å; M337-L345 HydrophobicContact SD-CB 4.46Å; M337-L345 HydrophobicContact SD-CD1 3.93Å; M337-F348 HydrophobicContact CE-CD1 3.46Å; M337-F348 VanDerWaalsContact CE-CD1 3.46Å; M337-F348 HydrophobicContact CE-CD2 4.38Å; M337-F348 HydrophobicContact CE-CE1 3.59Å; M337-F348 HydrophobicContact CE-CE2 4.49Å; M337-F348 HydrophobicContact CE-CG 3.88Å; M337-F348 HydrophobicContact CE-CZ 4.11Å; M337-F348 HydrophobicContact SD-CB 3.82Å; M337-F348 HydrophobicContact SD-CD1 3.84Å; M337-F348 HydrophobicContact SD-CD2 4.5Å; M337-F348 HydrophobicContact SD-CG 3.8Å; M337-L373 HydrophobicContact CE-CD1 3.77Å; M337-L373 HydrophobicContact CE-CD2 4.16Å; M337-L373 HydrophobicContact CE-CG 3.76Å; M337-L373 PolarHBondContact N-O 3.13Å; M337-L374 HydrophobicContact CB-CD2 3.78Å; M337-L374 HydrophobicContact CE-CD2 3.92Å; M337-L374 CarbonylContact O-C 3.48Å; M337-L374 WeakPolarHBondContact O-CA 3.4Å; M337-L375 PolarHBondContact O-N 2.92Å
338	G	80.1	Confident	89.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	-163.5	179.6	0	0	0	0	0	111.3	H340 N341 L342 L375	G338-H340 PolarHBondContact O-N 3.47Å; G338-N341 PolarHBondContact N-OD1 3.2Å; G338-N341 PolarHBondContact O-N 3.03Å; G338-N341 PolarHBondContact O-OD1 3.01Å; G338-L342 PolarHBondContact O-N 3.36Å; G338-L375 WeakPolarHBondContact CA-O 3.09Å
339	M	73.6	Confident	89.1	Confident	24 Å²	24	30.8 Å²	30.8	12%	0.118	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-61.5	-33.2	-178.7	-65.7	-64.5	97.1	0	0	113	N341 L342 L376 L387 Y422	M339-N341 PolarHBondContact O-N 2.8Å; M339-N341 VanDerWaalsContact O-N 3.13Å; M339-L342 HydrophobicContact CE-CD1 3.5Å; M339-L342 VanDerWaalsContact CE-CD1 3.5Å; M339-L342 PolarHBondContact O-N 2.89Å; M339-L342 HydrophobicContact SD-CD1 4.08Å; M339-L376 HydrophobicContact CE-CD2 3.53Å; M339-L387 HydrophobicContact SD-CD1 4.47Å; M339-L387 HydrophobicContact SD-CD2 4.44Å; M339-L387 HydrophobicContact SD-CG 4.39Å; M339-Y422 HydrophobicContact CE-CE2 3.9Å
340	H	78.1	Confident	88.8	Confident	144 Å²	144	35.3 Å²	35.3	67%	0.667	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-61.8	-19.5	178.2	68.7	-86.7	0	0	0	114.3	G338	G338-H340 PolarHBondContact O-N 3.47Å
341	N	83.9	Confident	88.7	Confident	25 Å²	25	35.3 Å²	35.3	13%	0.134	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-130.9	36.2	178	63.8	9.1	0	0	0	113	Q336 M337 G338 M339 P343 S344 L345	Q336-N341 PolarHBondContact O-ND2 3.39Å; M337-N341 WeakPolarHBondContact CA-OD1 3.34Å; G338-N341 PolarHBondContact N-OD1 3.2Å; G338-N341 PolarHBondContact O-N 3.03Å; G338-N341 PolarHBondContact O-OD1 3.01Å; M339-N341 PolarHBondContact O-N 2.8Å; M339-N341 VanDerWaalsContact O-N 3.13Å; N341-P343 VanDerWaalsContact C-CD 3.42Å; N341-P343 VanDerWaalsContact O-N 3.15Å; N341-S344 PolarHBondContact O-N 2.93Å; N341-L345 PolarHBondContact O-N 3.45Å
342	L	81.4	Confident	88.6	Confident	6 Å²	6	35.3 Å²	35.3	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-46.2	-43.4	-177	-165.1	75.1	0	0	0	115.1	G338 M339 S344 L345 K346 L387 Y422	G338-L342 PolarHBondContact O-N 3.36Å; M339-L342 HydrophobicContact CE-CD1 3.5Å; M339-L342 VanDerWaalsContact CE-CD1 3.5Å; M339-L342 PolarHBondContact O-N 2.89Å; M339-L342 HydrophobicContact SD-CD1 4.08Å; L342-S344 PolarHBondContact O-N 3.13Å; L342-L345 PolarHBondContact O-N 3.2Å; L342-K346 WeakPolarHBondContact O-CG 3.3Å; L342-K346 PolarHBondContact O-N 3.47Å; L342-L387 HydrophobicContact CD2-CD2 3.84Å; L342-Y422 WeakPolarHBondContact CD1-OH 3.42Å
343	P	85.4	Confident	88.3	Confident	73 Å²	73	33.7 Å²	33.7	47%	0.474	17%	0.169	S	C	.	.	H	α-helix	trans	-62.9	-41.6	178.6	-23.4	35.6	0	0	0	113.3	N341 K346 R347	N341-P343 VanDerWaalsContact C-CD 3.42Å; N341-P343 VanDerWaalsContact O-N 3.15Å; P343-K346 PolarHBondContact O-N 2.55Å; P343-R347 WeakPolarHBondContact O-CG 3.25Å; P343-R347 PolarHBondContact O-N 2.63Å; P343-R347 VanDerWaalsContact O-N 3.14Å
344	S	90.4	Very high	88.1	Confident	14 Å²	14	30.7 Å²	30.7	10%	0.098	15%	0.153	C	C	.	.	H	α-helix	trans	-69.6	-37.3	177.5	-58.3	0	0	0	0	111	C310 N311 N341 L342 R347 F348	C310-S344 PolarHBondContact O-OG 2.76Å; N311-S344 PolarHBondContact OD1-OG 3.02Å; N341-S344 PolarHBondContact O-N 2.93Å; L342-S344 PolarHBondContact O-N 3.13Å; S344-R347 PolarHBondContact O-N 3.5Å; S344-F348 WeakPolarHBondContact O-CB 3.12Å; S344-F348 PolarHBondContact O-N 3.41Å
345	L	88.4	Confident	88	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-44.6	173.7	175.2	54.1	0	0	0	112.1	M337 N341 L342 R347 F348 T349 L374 Y422	M337-L345 HydrophobicContact CB-CB 4.34Å; M337-L345 HydrophobicContact CB-CD1 4Å; M337-L345 HydrophobicContact CB-CG 4.5Å; M337-L345 HydrophobicContact SD-CB 4.46Å; M337-L345 HydrophobicContact SD-CD1 3.93Å; N341-L345 PolarHBondContact O-N 3.45Å; L342-L345 PolarHBondContact O-N 3.2Å; L345-R347 VanDerWaalsContact C-N 3.32Å; L345-R347 PolarHBondContact O-N 3.09Å; L345-F348 WeakPolarHBondContact O-CB 3.34Å; L345-F348 PolarHBondContact O-N 2.68Å; L345-T349 PolarHBondContact O-N 3.22Å; L345-T349 PolarHBondContact O-OG1 2.97Å; L345-L374 HydrophobicContact CD1-CD2 3.34Å; L345-L374 HydrophobicContact CD2-CD2 4.47Å; L345-Y422 HydrophobicContact CD1-CD1 3.82Å; L345-Y422 HydrophobicContact CD1-CE1 3.72Å; L345-Y422 HydrophobicContact CD2-CD1 4.04Å; L345-Y422 HydrophobicContact CD2-CD2 4.13Å; L345-Y422 HydrophobicContact CD2-CE1 3.52Å; L345-Y422 HydrophobicContact CD2-CE2 3.55Å; L345-Y422 HydrophobicContact CD2-CG 4.35Å; L345-Y422 WeakPolarHBondContact CD2-OH 3.32Å; L345-Y422 HydrophobicContact CG-CD1 3.9Å; L345-Y422 HydrophobicContact CG-CE1 3.29Å; L345-Y422 HydrophobicContact CG-CE2 4.29Å; L345-Y422 VanDerWaalsContact CG-CZ 3.5Å
346	K	85.8	Confident	87.9	Confident	59 Å²	59	30.6 Å²	30.6	26%	0.257	15%	0.149	S	C	.	.	H	α-helix	trans	-60.9	-41.1	174.9	-73	-174.9	-178.7	-164.3	0	112.1	L342 P343 T349 H350 D418	L342-K346 WeakPolarHBondContact O-CG 3.3Å; L342-K346 PolarHBondContact O-N 3.47Å; P343-K346 PolarHBondContact O-N 2.55Å; K346-T349 PolarHBondContact O-N 3.32Å; K346-H350 PolarHBondContact O-N 2.97Å; K346-D418 VanDerWaalsContact CE-CG 3.49Å; K346-D418 WeakPolarHBondContact CE-OD1 3.38Å; K346-D418 VanDerWaalsContact CE-OD2 3.28Å; K346-D418 WeakPolarHBondContact CE-OD2 3.39Å; K346-D418 IonicContact NZ-OD1 3.62Å; K346-D418 PolarHBondContact NZ-OD1 3.48Å; K346-D418 VanDerWaalsContact NZ-OD1 3.08Å; K346-D418 IonicContact NZ-OD2 3.08Å; K346-D418 PolarHBondContact NZ-OD2 3.21Å
347	R	91.2	Very high	87.7	Confident	64 Å²	64	29 Å²	29	24%	0.242	14%	0.142	C	C	.	.	H	α-helix	trans	-64.2	-42.3	174.5	-76.8	-169.7	-152.6	111.1	1	112.2	C310 V312 Y319 P343 S344 L345 H350 L351	C310-R347 HydrophobicContact CB-CB 4.35Å; C310-R347 WeakPolarHBondContact O-CD 3.35Å; C310-R347 PolarHBondContact O-NH1 3.35Å; V312-R347 WeakPolarHBondContact O-CD 3.01Å; V312-R347 PolarHBondContact O-NE 2.76Å; Y319-R347 WeakPolarHBondContact CE2-O 3.28Å; Y319-R347 WeakPolarHBondContact OH-CB 3.42Å; P343-R347 WeakPolarHBondContact O-CG 3.25Å; P343-R347 PolarHBondContact O-N 2.63Å; P343-R347 VanDerWaalsContact O-N 3.14Å; S344-R347 PolarHBondContact O-N 3.5Å; L345-R347 VanDerWaalsContact C-N 3.32Å; L345-R347 PolarHBondContact O-N 3.09Å; R347-H350 PolarHBondContact O-N 3.38Å; R347-L351 WeakPolarHBondContact O-CB 3.19Å; R347-L351 PolarHBondContact O-N 3.28Å
348	F	93.5	Very high	87.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-45.9	175.4	-177.7	-103.6	0	0	0	111.8	F306 L331 V334 M337 S344 L345 H350 L351 I352 I364 L373 T425 L429	F306-F348 HydrophobicContact CD2-CD2 4.26Å; F306-F348 HydrophobicContact CE2-CB 4.09Å; F306-F348 AromaticContact CE2-CD2 3.79Å; F306-F348 HydrophobicContact CE2-CD2 3.79Å; F306-F348 HydrophobicContact CE2-CG 4.16Å; L331-F348 HydrophobicContact CD2-CD2 4.37Å; L331-F348 HydrophobicContact CD2-CE2 3.96Å; V334-F348 HydrophobicContact CG1-CE2 4.37Å; M337-F348 HydrophobicContact CE-CD1 3.46Å; M337-F348 VanDerWaalsContact CE-CD1 3.46Å; M337-F348 HydrophobicContact CE-CD2 4.38Å; M337-F348 HydrophobicContact CE-CE1 3.59Å; M337-F348 HydrophobicContact CE-CE2 4.49Å; M337-F348 HydrophobicContact CE-CG 3.88Å; M337-F348 HydrophobicContact CE-CZ 4.11Å; M337-F348 HydrophobicContact SD-CB 3.82Å; M337-F348 HydrophobicContact SD-CD1 3.84Å; M337-F348 HydrophobicContact SD-CD2 4.5Å; M337-F348 HydrophobicContact SD-CG 3.8Å; S344-F348 WeakPolarHBondContact O-CB 3.12Å; S344-F348 PolarHBondContact O-N 3.41Å; L345-F348 WeakPolarHBondContact O-CB 3.34Å; L345-F348 PolarHBondContact O-N 2.68Å; F348-H350 PolarHBondContact O-N 3.08Å; F348-L351 WeakPolarHBondContact O-CB 3.44Å; F348-L351 PolarHBondContact O-N 3.14Å; F348-L351 VanDerWaalsContact O-N 3.15Å; F348-I352 HydrophobicContact CD1-CG1 4.13Å; F348-I352 HydrophobicContact CD2-CG1 4.42Å; F348-I352 HydrophobicContact CE1-CD1 4.34Å; F348-I352 HydrophobicContact CE1-CG1 3.73Å; F348-I352 HydrophobicContact CE2-CD1 3.89Å; F348-I352 HydrophobicContact CE2-CG1 4.05Å; F348-I352 HydrophobicContact CG-CG1 4.46Å; F348-I352 HydrophobicContact CZ-CD1 3.78Å; F348-I352 HydrophobicContact CZ-CG1 3.69Å; F348-I352 WeakPolarHBondContact O-CG1 3.32Å; F348-I352 PolarHBondContact O-N 2.96Å; F348-I364 HydrophobicContact CZ-CD1 4.35Å; F348-L373 HydrophobicContact CE1-CD2 4.2Å; F348-L373 HydrophobicContact CZ-CD2 4.28Å; F348-T425 HydrophobicContact CD1-CG2 4Å; F348-T425 HydrophobicContact CE1-CG2 3.78Å; F348-L429 HydrophobicContact CE1-CD1 3.98Å; F348-L429 HydrophobicContact CZ-CD1 4.01Å
349	T	89.9	Confident	88.3	Confident	6 Å²	6	32 Å²	32	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-56.8	-47.7	174.1	-68.6	0	0	0	0	111.8	L345 K346 L351 I352 D353 A421 T425	L345-T349 PolarHBondContact O-N 3.22Å; L345-T349 PolarHBondContact O-OG1 2.97Å; K346-T349 PolarHBondContact O-N 3.32Å; T349-L351 VanDerWaalsContact C-N 3.33Å; T349-L351 PolarHBondContact O-N 3Å; T349-I352 PolarHBondContact O-N 3.36Å; T349-D353 WeakPolarHBondContact O-CB 3.27Å; T349-D353 PolarHBondContact O-N 3.4Å; T349-A421 HydrophobicContact CG2-CB 4.05Å; T349-T425 WeakPolarHBondContact CB-OG1 3.44Å; T349-T425 VanDerWaalsContact CG2-OG1 3.27Å; T349-T425 WeakPolarHBondContact CG2-OG1 3.36Å; T349-T425 PolarHBondContact OG1-OG1 3.03Å
350	H	90.4	Very high	89.2	Confident	95 Å²	95	30.9 Å²	30.9	44%	0.44	15%	0.152	S	C	.	.	H	α-helix	trans	-62.5	-38	176	-68.6	161.4	0	0	0	113.3	Y319 K346 R347 F348 V354	Y319-H350 HydrophobicContact CD2-CB 4.09Å; Y319-H350 HydrophobicContact CE2-CB 4.01Å; K346-H350 PolarHBondContact O-N 2.97Å; R347-H350 PolarHBondContact O-N 3.38Å; F348-H350 PolarHBondContact O-N 3.08Å; H350-V354 WeakPolarHBondContact O-CG2 3.48Å; H350-V354 PolarHBondContact O-N 3.05Å
351	L	94.9	Very high	90	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.1	-56.3	174.3	172.5	66.1	0	0	0	109.8	L309 Y319 L322 L331 R347 F348 T349 D353 V354 L355	L309-L351 HydrophobicContact CB-CD2 4.41Å; L309-L351 HydrophobicContact CD1-CD1 4.28Å; L309-L351 HydrophobicContact CD1-CD2 3.81Å; Y319-L351 HydrophobicContact CD1-CB 4.26Å; Y319-L351 HydrophobicContact CD1-CD1 3.65Å; Y319-L351 HydrophobicContact CD2-CB 4.28Å; Y319-L351 HydrophobicContact CE1-CB 4.21Å; Y319-L351 HydrophobicContact CE1-CD1 4.12Å; Y319-L351 HydrophobicContact CE2-CB 4.24Å; Y319-L351 HydrophobicContact CG-CB 4.3Å; Y319-L351 HydrophobicContact CG-CD1 4.07Å; L322-L351 HydrophobicContact CD2-CD1 3.93Å; L331-L351 HydrophobicContact CD2-CD2 4.11Å; R347-L351 WeakPolarHBondContact O-CB 3.19Å; R347-L351 PolarHBondContact O-N 3.28Å; F348-L351 WeakPolarHBondContact O-CB 3.44Å; F348-L351 PolarHBondContact O-N 3.14Å; F348-L351 VanDerWaalsContact O-N 3.15Å; T349-L351 VanDerWaalsContact C-N 3.33Å; T349-L351 PolarHBondContact O-N 3Å; L351-D353 PolarHBondContact O-N 3.43Å; L351-V354 PolarHBondContact O-N 2.83Å; L351-V354 VanDerWaalsContact O-N 3.13Å; L351-L355 HydrophobicContact CD1-CD1 3.93Å; L351-L355 HydrophobicContact CD1-CD2 4.04Å; L351-L355 HydrophobicContact CD1-CG 3.84Å; L351-L355 HydrophobicContact CG-CD1 4.09Å; L351-L355 HydrophobicContact CG-CG 4.22Å; L351-L355 VanDerWaalsContact O-CG 3.28Å; L351-L355 WeakPolarHBondContact O-CG 3.36Å; L351-L355 PolarHBondContact O-N 2.92Å
352	I	94.2	Very high	90.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-40.5	-179.6	-62.4	-47.1	0	0	0	111.2	F348 T349 V354 L355 Y356 L362 T425 R428 L429 M432	F348-I352 HydrophobicContact CD1-CG1 4.13Å; F348-I352 HydrophobicContact CD2-CG1 4.42Å; F348-I352 HydrophobicContact CE1-CD1 4.34Å; F348-I352 HydrophobicContact CE1-CG1 3.73Å; F348-I352 HydrophobicContact CE2-CD1 3.89Å; F348-I352 HydrophobicContact CE2-CG1 4.05Å; F348-I352 HydrophobicContact CG-CG1 4.46Å; F348-I352 HydrophobicContact CZ-CD1 3.78Å; F348-I352 HydrophobicContact CZ-CG1 3.69Å; F348-I352 WeakPolarHBondContact O-CG1 3.32Å; F348-I352 PolarHBondContact O-N 2.96Å; T349-I352 PolarHBondContact O-N 3.36Å; I352-V354 PolarHBondContact O-N 2.93Å; I352-L355 PolarHBondContact O-N 2.9Å; I352-Y356 WeakPolarHBondContact O-CB 3.4Å; I352-Y356 PolarHBondContact O-N 2.96Å; I352-L362 HydrophobicContact CD1-CD2 3.37Å; I352-T425 HydrophobicContact CB-CG2 3.97Å; I352-T425 HydrophobicContact CG1-CG2 3.85Å; I352-T425 HydrophobicContact CG2-CG2 4.06Å; I352-R428 HydrophobicContact CG2-CB 3.95Å; I352-L429 HydrophobicContact CD1-CD2 3.64Å; I352-L429 HydrophobicContact CD1-CG 4.49Å; I352-L429 HydrophobicContact CG1-CD2 4.08Å; I352-L429 HydrophobicContact CG1-CG 4.42Å; I352-L429 HydrophobicContact CG2-CD2 4.25Å; I352-L429 HydrophobicContact CG2-CG 4.24Å; I352-M432 HydrophobicContact CG2-SD 4.27Å
353	D	90	Very high	91.2	Very high	16 Å²	16	23.7 Å²	23.7	9%	0.086	12%	0.117	C	C	.	.	H	α-helix	trans	-59.4	-48.7	177.4	-70.2	-25.1	0	0	0	111.7	T349 L351 D357 R424 R428	T349-D353 WeakPolarHBondContact O-CB 3.27Å; T349-D353 PolarHBondContact O-N 3.4Å; L351-D353 PolarHBondContact O-N 3.43Å; D353-D357 WeakPolarHBondContact O-CB 3.48Å; D353-D357 PolarHBondContact O-N 3.37Å; D353-R424 IonicContact OD1-CZ 2.68Å; D353-R424 IonicContact OD1-NE 4Å; D353-R424 PolarHBondContact OD1-NE 2.9Å; D353-R424 IonicContact OD1-NH2 2.92Å; D353-R424 PolarHBondContact OD1-NH2 3.16Å; D353-R424 IonicContact OD2-CZ 2.86Å; D353-R424 IonicContact OD2-NE 3.28Å; D353-R424 IonicContact OD2-NH2 3.82Å; D353-R424 PolarHBondContact OD2-NH2 2.6Å; D353-R428 VanDerWaalsContact CB-NH1 3.26Å; D353-R428 IonicContact OD1-CZ 2.75Å; D353-R428 IonicContact OD1-NH1 3.34Å; D353-R428 PolarHBondContact OD1-NH1 3.32Å
354	V	90.5	Very high	91.6	Very high	13 Å²	13	20.5 Å²	20.5	8%	0.079	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-46.3	177.8	168.3	0	0	0	0	111.4	Y319 M320 A323 H350 L351 I352 Y356 D357 T358	Y319-V354 WeakPolarHBondContact O-CG1 3.47Å; M320-V354 HydrophobicContact CE-CB 4.5Å; M320-V354 HydrophobicContact CE-CG1 3.71Å; M320-V354 HydrophobicContact CE-CG2 4.23Å; M320-V354 HydrophobicContact SD-CG1 4.46Å; A323-V354 HydrophobicContact CB-CG1 3.99Å; H350-V354 WeakPolarHBondContact O-CG2 3.48Å; H350-V354 PolarHBondContact O-N 3.05Å; L351-V354 PolarHBondContact O-N 2.83Å; L351-V354 VanDerWaalsContact O-N 3.13Å; I352-V354 PolarHBondContact O-N 2.93Å; V354-Y356 VanDerWaalsContact C-N 3.33Å; V354-Y356 PolarHBondContact O-N 2.85Å; V354-D357 PolarHBondContact O-N 3.49Å; V354-T358 HydrophobicContact CG1-CG2 4.39Å; V354-T358 WeakPolarHBondContact O-CB 3.5Å; V354-T358 WeakPolarHBondContact O-CG2 3.37Å; V354-T358 PolarHBondContact O-N 3.17Å; V354-T358 PolarHBondContact O-OG1 3.15Å
355	L	94.3	Very high	91.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-39.4	-178.5	-63.1	-166.7	0	0	0	112.3	A323 I329 L351 I352 T358 H359 T360 L362 M432 Y437	A323-L355 HydrophobicContact CB-CD2 4.01Å; I329-L355 HydrophobicContact CD1-CD1 3.98Å; I329-L355 HydrophobicContact CD1-CD2 3.56Å; I329-L355 HydrophobicContact CD1-CG 4.42Å; L351-L355 HydrophobicContact CD1-CD1 3.93Å; L351-L355 HydrophobicContact CD1-CD2 4.04Å; L351-L355 HydrophobicContact CD1-CG 3.84Å; L351-L355 HydrophobicContact CG-CD1 4.09Å; L351-L355 HydrophobicContact CG-CG 4.22Å; L351-L355 VanDerWaalsContact O-CG 3.28Å; L351-L355 WeakPolarHBondContact O-CG 3.36Å; L351-L355 PolarHBondContact O-N 2.92Å; I352-L355 PolarHBondContact O-N 2.9Å; L355-T358 WeakPolarHBondContact CA-OG1 3.42Å; L355-T358 PolarHBondContact O-OG1 3.43Å; L355-H359 PolarHBondContact O-N 3.18Å; L355-T360 HydrophobicContact CD2-CG2 3.88Å; L355-T360 PolarHBondContact O-N 3.24Å; L355-L362 HydrophobicContact CD1-CB 4.46Å; L355-L362 HydrophobicContact CD1-CD1 3.88Å; L355-L362 HydrophobicContact CD1-CD2 4.16Å; L355-L362 HydrophobicContact CD1-CG 4.39Å; L355-M432 HydrophobicContact CB-CE 3.99Å; L355-Y437 PolarHBondContact O-OH 2.86Å
356	Y	91.6	Very high	92.1	Very high	30 Å²	30	19.8 Å²	19.8	12%	0.118	9%	0.091	C	C	.	.	H	α-helix	trans	-64.5	-49.2	176.4	-178.4	-89.4	0	0	0	110.6	R233 I352 V354 T358 H359 R428 E431 M432 Y437	R233-Y356 PolarHBondContact NE-OH 2.77Å; R233-Y356 PolarHBondContact NH2-OH 3.38Å; R233-Y356 VanDerWaalsContact NH2-OH 3.11Å; I352-Y356 WeakPolarHBondContact O-CB 3.4Å; I352-Y356 PolarHBondContact O-N 2.96Å; V354-Y356 VanDerWaalsContact C-N 3.33Å; V354-Y356 PolarHBondContact O-N 2.85Å; Y356-T358 VanDerWaalsContact C-N 3.3Å; Y356-T358 PolarHBondContact O-N 3.04Å; Y356-H359 PolarHBondContact O-N 3.4Å; Y356-H359 VanDerWaalsContact O-N 3.14Å; Y356-R428 HydrophobicContact CD1-CG 4.13Å; Y356-R428 HydrophobicContact CD2-CB 3.75Å; Y356-R428 HydrophobicContact CD2-CG 3.69Å; Y356-R428 HydrophobicContact CE1-CG 4.37Å; Y356-R428 HydrophobicContact CE2-CB 4.23Å; Y356-R428 HydrophobicContact CE2-CG 3.96Å; Y356-R428 HydrophobicContact CG-CB 4.15Å; Y356-R428 HydrophobicContact CG-CG 3.77Å; Y356-E431 HydrophobicContact CE2-CB 4.3Å; Y356-E431 HydrophobicContact CE2-CG 4.41Å; Y356-E431 WeakPolarHBondContact CE2-OE2 3.32Å; Y356-E431 VanDerWaalsContact CZ-OE2 3.27Å; Y356-E431 PolarHBondContact OH-OE2 2.82Å; Y356-M432 HydrophobicContact CD2-CG 3.92Å; Y356-M432 HydrophobicContact CD2-SD 4.2Å; Y356-Y437 HydrophobicContact CD2-CE2 4.1Å; Y356-Y437 HydrophobicContact CE2-CE2 4.15Å
357	D	86.5	Confident	92.4	Very high	39 Å²	39	20.8 Å²	20.8	21%	0.209	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-41.9	179.4	-65.3	-13.4	0	0	0	109.7	Y18 D353 V354 H359 R428	Y18-D357 VanDerWaalsContact CD1-C 3.5Å; Y18-D357 HydrophobicContact CD1-CB 4.16Å; Y18-D357 WeakPolarHBondContact CD1-O 3.3Å; Y18-D357 HydrophobicContact CE1-CB 3.79Å; Y18-D357 WeakPolarHBondContact CE1-O 3.43Å; Y18-D357 HydrophobicContact CE2-CB 4.47Å; D353-D357 WeakPolarHBondContact O-CB 3.48Å; D353-D357 PolarHBondContact O-N 3.37Å; V354-D357 PolarHBondContact O-N 3.49Å; D357-H359 PolarHBondContact O-N 3.05Å; D357-R428 IonicContact OD1-CZ 3.77Å; D357-R428 IonicContact OD1-NH1 3.69Å; D357-R428 IonicContact OD1-NH2 2.79Å; D357-R428 PolarHBondContact OD1-NH2 3.41Å
358	T	88.5	Confident	92.3	Very high	16 Å²	16	18.3 Å²	18.3	10%	0.098	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	5.4	177.9	59	0	0	0	0	116.2	Y18 M320 A323 V354 L355 Y356 T360 R445	Y18-T358 HydrophobicContact CE1-CG2 3.82Å; Y18-T358 WeakPolarHBondContact OH-CG2 3.49Å; M320-T358 HydrophobicContact CE-CG2 4.18Å; M320-T358 HydrophobicContact SD-CG2 3.93Å; A323-T358 HydrophobicContact CB-CG2 3.68Å; A323-T358 VanDerWaalsContact CB-OG1 3.26Å; A323-T358 WeakPolarHBondContact CB-OG1 3.21Å; V354-T358 HydrophobicContact CG1-CG2 4.39Å; V354-T358 WeakPolarHBondContact O-CB 3.5Å; V354-T358 WeakPolarHBondContact O-CG2 3.37Å; V354-T358 PolarHBondContact O-N 3.17Å; V354-T358 PolarHBondContact O-OG1 3.15Å; L355-T358 WeakPolarHBondContact CA-OG1 3.42Å; L355-T358 PolarHBondContact O-OG1 3.43Å; Y356-T358 VanDerWaalsContact C-N 3.3Å; Y356-T358 PolarHBondContact O-N 3.04Å; T358-T360 PolarHBondContact O-N 3.24Å; T358-T360 VanDerWaalsContact O-N 3.11Å; T358-T360 PolarHBondContact OG1-OG1 2.9Å; T358-R445 WeakPolarHBondContact O-CD 3.38Å
359	H	91.2	Very high	92.1	Very high	48 Å²	48	19.5 Å²	19.5	22%	0.222	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	40.1	-174.5	-65	-75.4	0	0	0	111.3	L355 Y356 D357 Y437 S441 G442 R445	L355-H359 PolarHBondContact O-N 3.18Å; Y356-H359 PolarHBondContact O-N 3.4Å; Y356-H359 VanDerWaalsContact O-N 3.14Å; D357-H359 PolarHBondContact O-N 3.05Å; H359-Y437 WeakPolarHBondContact CA-OH 3.26Å; H359-S441 WeakPolarHBondContact O-CA 3.36Å; H359-S441 VanDerWaalsContact O-CB 3.23Å; H359-S441 WeakPolarHBondContact O-CB 3.46Å; H359-G442 PolarHBondContact O-N 3.12Å; H359-R445 HydrophobicContact CB-CB 3.92Å
360	T	93.4	Very high	92	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.			trans	-81.7	133.8	175.6	-67.3	0	0	0	0	108.1	H327 I329 L355 T358 M432 Y437 R445	H327-T360 WeakPolarHBondContact O-CG2 3.33Å; I329-T360 HydrophobicContact CD1-CG2 3.95Å; I329-T360 HydrophobicContact CG1-CG2 4Å; L355-T360 HydrophobicContact CD2-CG2 3.88Å; L355-T360 PolarHBondContact O-N 3.24Å; T358-T360 PolarHBondContact O-N 3.24Å; T358-T360 VanDerWaalsContact O-N 3.11Å; T358-T360 PolarHBondContact OG1-OG1 2.9Å; T360-M432 WeakPolarHBondContact O-CE 3.42Å; T360-Y437 PolarHBondContact O-OH 3.4Å; T360-R445 PolarHBondContact OG1-NH1 2.93Å
361	R	94.1	Very high	91.7	Very high	19 Å²	19	20.9 Å²	20.9	7%	0.072	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137.1	173.8	-76.3	176.2	-178.8	174.5	4.6	109.3	H327 T328 I329 W438 S441	H327-R361 PolarHBondContact O-N 3.13Å; T328-R361 WeakPolarHBondContact CA-O 3.29Å; T328-R361 HydrophobicContact CG2-CB 3.9Å; I329-R361 PolarHBondContact N-O 3.38Å; R361-W438 HydrophobicContact CB-CE3 4.03Å; R361-W438 HydrophobicContact CB-CH2 4.2Å; R361-W438 HydrophobicContact CB-CZ3 3.66Å; R361-W438 HydrophobicContact CG-CD2 4.14Å; R361-W438 HydrophobicContact CG-CE3 3.71Å; R361-W438 HydrophobicContact CG-CH2 4.34Å; R361-W438 HydrophobicContact CG-CZ3 3.83Å; R361-W438 PolarHBondContact NE-O 3.35Å; R361-W438 PolarHBondContact NH2-O 2.72Å; R361-S441 PolarHBondContact NE-O 3.17Å; R361-S441 PolarHBondContact NH2-O 3.38Å
362	L	95.3	Very high	91.3	Very high	6 Å²	6	25 Å²	25	3%	0.031	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.3	179.1	-176.4	63.3	0	0	0	109.8	I329 L331 I352 L355 I364 L429 M432	I329-L362 HydrophobicContact CB-CD1 4.21Å; I329-L362 HydrophobicContact CG2-CD1 4.14Å; I329-L362 CarbonylContact O-C 3.56Å; I329-L362 WeakPolarHBondContact O-CA 3.46Å; L331-L362 HydrophobicContact CB-CD1 4.08Å; I352-L362 HydrophobicContact CD1-CD2 3.37Å; L355-L362 HydrophobicContact CD1-CB 4.46Å; L355-L362 HydrophobicContact CD1-CD1 3.88Å; L355-L362 HydrophobicContact CD1-CD2 4.16Å; L355-L362 HydrophobicContact CD1-CG 4.39Å; L362-I364 HydrophobicContact CD1-CG1 4.37Å; L362-I364 HydrophobicContact CD2-CD1 3.79Å; L362-I364 HydrophobicContact CD2-CG1 3.95Å; L362-I364 HydrophobicContact CG-CD1 4.26Å; L362-I364 HydrophobicContact CG-CG1 3.87Å; L362-L429 HydrophobicContact CD2-CD2 3.95Å; L362-M432 HydrophobicContact CB-CE 3.58Å; L362-M432 HydrophobicContact CD2-CE 4.1Å
363	I	94.9	Very high	90.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.5	166.4	-62.5	170.9	0	0	0	107.1	L248 L263 W266 L270 I329 I330 L331 W438	L248-I363 HydrophobicContact CD2-CD1 4.26Å; L248-I363 HydrophobicContact CD2-CG1 3.82Å; L248-I363 CarbonylContact O-C 3.54Å; L248-I363 WeakPolarHBondContact O-CA 3.23Å; L263-I363 HydrophobicContact CD2-CG2 3.69Å; W266-I363 HydrophobicContact CB-CD1 4.12Å; W266-I363 HydrophobicContact CD2-CD1 3.88Å; W266-I363 HydrophobicContact CE3-CD1 4.03Å; W266-I363 HydrophobicContact CG-CD1 3.92Å; L270-I363 HydrophobicContact CD1-CD1 3.73Å; I329-I363 PolarHBondContact O-N 2.74Å; I330-I363 WeakPolarHBondContact CA-O 3.45Å; I330-I363 HydrophobicContact CD1-CD1 4.41Å; I330-I363 HydrophobicContact CG1-CB 4.21Å; I330-I363 HydrophobicContact CG1-CD1 4.18Å; I330-I363 HydrophobicContact CG2-CB 4.34Å; I330-I363 HydrophobicContact CG2-CG2 4.34Å; L331-I363 PolarHBondContact N-O 3.1Å; I363-W438 HydrophobicContact CD1-CH2 3.92Å; I363-W438 HydrophobicContact CD1-CZ3 4.35Å; I363-W438 HydrophobicContact CG1-CH2 4.13Å; I363-W438 HydrophobicContact CG1-CZ3 4.05Å
364	I	94.9	Very high	90.5	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.026	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.2	-178.6	-66.4	179.7	0	0	0	110.5	L248 Y249 L250 L331 V334 F348 L362 A366 L429	L248-I364 PolarHBondContact O-N 3.26Å; Y249-I364 CarbonylContact C-O 3.48Å; Y249-I364 WeakPolarHBondContact CA-O 3.43Å; Y249-I364 HydrophobicContact CD2-CB 3.89Å; Y249-I364 HydrophobicContact CD2-CD1 4.4Å; Y249-I364 HydrophobicContact CD2-CG2 3.95Å; Y249-I364 HydrophobicContact CE2-CB 4.22Å; Y249-I364 HydrophobicContact CE2-CD1 4.42Å; Y249-I364 HydrophobicContact CE2-CG2 3.77Å; L250-I364 PolarHBondContact N-O 2.77Å; L331-I364 CarbonylContact O-C 3.54Å; L331-I364 VanDerWaalsContact O-CA 3.29Å; L331-I364 WeakPolarHBondContact O-CA 3.46Å; V334-I364 HydrophobicContact CB-CG2 4.17Å; V334-I364 HydrophobicContact CG2-CG2 3.82Å; F348-I364 HydrophobicContact CZ-CD1 4.35Å; L362-I364 HydrophobicContact CD1-CG1 4.37Å; L362-I364 HydrophobicContact CD2-CD1 3.79Å; L362-I364 HydrophobicContact CD2-CG1 3.95Å; L362-I364 HydrophobicContact CG-CD1 4.26Å; L362-I364 HydrophobicContact CG-CG1 3.87Å; I364-A366 HydrophobicContact CG2-CB 3.76Å; I364-L429 HydrophobicContact CD1-CD2 3.59Å
365	G	94.5	Very high	89.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.6	155.8	0	0	0	0	0	109.3	L250 Y252 L331 Y332 D333 V334	L250-G365 CarbonylContact O-C 3.51Å; L250-G365 WeakPolarHBondContact O-CA 3.49Å; Y252-G365 VanDerWaalsContact CE2-C 3.49Å; L331-G365 PolarHBondContact O-N 3.3Å; Y332-G365 CarbonylContact C-O 3.46Å; D333-G365 PolarHBondContact N-O 2.84Å; V334-G365 PolarHBondContact N-O 2.9Å
366	A	94	Very high	88.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.4	-175.2	0	0	0	0	0	112.7	Y249 L250 D251 Y252 V334 I364 C368 L373	Y249-A366 HydrophobicContact CE1-CB 3.95Å; Y249-A366 HydrophobicContact CE2-CB 4.17Å; Y249-A366 VanDerWaalsContact CZ-CB 3.5Å; Y249-A366 WeakPolarHBondContact OH-CB 3.4Å; L250-A366 PolarHBondContact O-N 2.85Å; D251-A366 CarbonylContact C-O 3.59Å; D251-A366 WeakPolarHBondContact CA-O 3.28Å; Y252-A366 VanDerWaalsContact CD2-C 3.47Å; Y252-A366 VanDerWaalsContact CD2-O 3.27Å; Y252-A366 WeakPolarHBondContact CD2-O 3.29Å; Y252-A366 PolarHBondContact N-O 3.11Å; V334-A366 HydrophobicContact CB-CB 3.97Å; V334-A366 CarbonylContact O-C 3.58Å; V334-A366 VanDerWaalsContact O-CA 3.28Å; V334-A366 WeakPolarHBondContact O-CA 3.34Å; I364-A366 HydrophobicContact CG2-CB 3.76Å; A366-C368 PolarHBondContact O-N 3.22Å; A366-C368 VanDerWaalsContact O-N 3.16Å; A366-L373 HydrophobicContact CB-CD1 4.39Å
367	N	91.8	Very high	86.7	Confident	80 Å²	80	34.1 Å²	34.1	43%	0.428	18%	0.184	S	C	.	.	S	Bend	trans	-76.3	2.4	-176.9	-65.8	-2.6	0	0	0	113.7	Y252 V334	Y252-N367 WeakPolarHBondContact CD2-OD1 3.45Å; V334-N367 PolarHBondContact O-N 3.22Å
368	C	90.3	Very high	84.6	Confident	12 Å²	12	36.9 Å²	36.9	8%	0.081	21%	0.206	C	C	.	.	S	Bend	trans	-158	166.3	-179.7	59.1	0	0	0	0	110.2	Y249 D251 A366 N372	Y249-C368 WeakPolarHBondContact CE1-O 3.16Å; Y249-C368 PolarHBondContact OH-O 3.35Å; D251-C368 VanDerWaalsContact CG-C 3.41Å; D251-C368 WeakPolarHBondContact OD1-CA 3.33Å; D251-C368 PolarHBondContact OD1-N 2.86Å; A366-C368 PolarHBondContact O-N 3.22Å; A366-C368 VanDerWaalsContact O-N 3.16Å; C368-N372 HydrophobicContact CB-CB 4.21Å
369	S	89.1	Confident	82.4	Confident	25 Å²	25	44.9 Å²	44.9	18%	0.175	24%	0.24	C	C	.	.			trans	-61.9	157.1	174.9	84.4	0	0	0	0	111.5	D251 E371 N372 L373	D251-S369 WeakPolarHBondContact OD2-CA 3.36Å; D251-S369 PolarHBondContact OD2-N 3.14Å; S369-E371 WeakPolarHBondContact CB-OE2 3.33Å; S369-E371 PolarHBondContact O-N 3.2Å; S369-E371 PolarHBondContact OG-OE2 3.47Å; S369-N372 CarbonylContact O-C 3.51Å; S369-N372 PolarHBondContact O-N 2.85Å; S369-N372 PolarHBondContact OG-ND2 2.71Å; S369-L373 PolarHBondContact O-N 3.29Å
370	I	86.9	Confident	79.9	Confident	2 Å²	2	48 Å²	48	1%	0.01	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-60.2	-33.5	-177.7	-167.3	167.6	0	0	0	112.1	Y249 N372 L373 L429	Y249-I370 HydrophobicContact CD2-CB 4.33Å; Y249-I370 HydrophobicContact CD2-CD1 4.32Å; Y249-I370 HydrophobicContact CD2-CG1 4.47Å; Y249-I370 HydrophobicContact CE1-CB 4.26Å; Y249-I370 HydrophobicContact CE2-CB 3.94Å; Y249-I370 HydrophobicContact CE2-CD1 4.36Å; Y249-I370 HydrophobicContact CE2-CG1 4.06Å; Y249-I370 WeakPolarHBondContact OH-CA 3.47Å; Y249-I370 PolarHBondContact OH-N 3Å; I370-N372 PolarHBondContact O-N 2.97Å; I370-L373 VanDerWaalsContact O-CB 3.28Å; I370-L373 WeakPolarHBondContact O-CB 3.38Å; I370-L373 PolarHBondContact O-N 3.16Å; I370-L429 HydrophobicContact CD1-CB 3.92Å
371	E	83.8	Confident	77.5	Confident	128 Å²	128	54.5 Å²	54.5	60%	0.598	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-66.8	-29.5	179.3	-54.6	76.8	-163	0	0	111.1	S369	S369-E371 WeakPolarHBondContact CB-OE2 3.33Å; S369-E371 PolarHBondContact O-N 3.2Å; S369-E371 PolarHBondContact OG-OE2 3.47Å
372	N	87.3	Confident	75.2	Confident	86 Å²	86	57.9 Å²	57.9	46%	0.46	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-98.9	1.3	179.6	-68	-53.7	0	0	0	113	Q336 C368 S369 I370 L374	Q336-N372 WeakPolarHBondContact CG-O 3.27Å; Q336-N372 PolarHBondContact NE2-O 3.28Å; C368-N372 HydrophobicContact CB-CB 4.21Å; S369-N372 CarbonylContact O-C 3.51Å; S369-N372 PolarHBondContact O-N 2.85Å; S369-N372 PolarHBondContact OG-ND2 2.71Å; I370-N372 PolarHBondContact O-N 2.97Å; N372-L374 PolarHBondContact O-N 3.28Å
373	L	85.9	Confident	73	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-59.2	-34.3	-176.1	-175.7	63.1	0	0	0	112.3	V334 M337 F348 A366 S369 I370 L426 L429	V334-L373 HydrophobicContact CG1-CD1 3.81Å; M337-L373 HydrophobicContact CE-CD1 3.77Å; M337-L373 HydrophobicContact CE-CD2 4.16Å; M337-L373 HydrophobicContact CE-CG 3.76Å; M337-L373 PolarHBondContact N-O 3.13Å; F348-L373 HydrophobicContact CE1-CD2 4.2Å; F348-L373 HydrophobicContact CZ-CD2 4.28Å; A366-L373 HydrophobicContact CB-CD1 4.39Å; S369-L373 PolarHBondContact O-N 3.29Å; I370-L373 VanDerWaalsContact O-CB 3.28Å; I370-L373 WeakPolarHBondContact O-CB 3.38Å; I370-L373 PolarHBondContact O-N 3.16Å; L373-L426 HydrophobicContact CB-CD2 4.38Å; L373-L426 HydrophobicContact CD2-CD2 4.46Å; L373-L429 HydrophobicContact CD2-CD1 3.69Å
374	L	81.2	Confident	70.8	Confident	18 Å²	18	60.7 Å²	60.7	9%	0.094	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	101.4	179.5	-58.7	-175.8	0	0	0	110.7	M337 L345 N372 L376 Y422 L426	M337-L374 HydrophobicContact CB-CD2 3.78Å; M337-L374 HydrophobicContact CE-CD2 3.92Å; M337-L374 CarbonylContact O-C 3.48Å; M337-L374 WeakPolarHBondContact O-CA 3.4Å; L345-L374 HydrophobicContact CD1-CD2 3.34Å; L345-L374 HydrophobicContact CD2-CD2 4.47Å; N372-L374 PolarHBondContact O-N 3.28Å; L374-L376 PolarHBondContact O-N 3.43Å; L374-Y422 HydrophobicContact CD1-CG 4.2Å; L374-L426 HydrophobicContact CB-CD1 4.39Å; L374-L426 HydrophobicContact CD1-CD1 3.92Å; L374-L426 HydrophobicContact CD1-CD2 4.03Å; L374-L426 HydrophobicContact CD1-CG 3.67Å; L374-L426 HydrophobicContact CG-CD1 4.34Å; L374-L426 HydrophobicContact CG-CD2 4.1Å; L374-L426 HydrophobicContact CG-CG 4.23Å
375	L	75.8	Confident	68.6	Low	98 Å²	98	64.3 Å²	64.3	51%	0.513	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	89.7	174	-166.5	73.1	0	0	0	110.1	Q336 M337 G338 S377	Q336-L375 HydrophobicContact CG-CB 4.26Å; M337-L375 PolarHBondContact O-N 2.92Å; G338-L375 WeakPolarHBondContact CA-O 3.09Å; L375-S377 PolarHBondContact O-N 2.85Å
376	L	66	Low	66.5	Low	56 Å²	56	68.6 Å²	68.6	29%	0.293	37%	0.374	S	S	.	.			trans	-89.9	92.3	172.8	-60.2	161.1	0	0	0	106.7	M339 L374 S378 L419 Y422	M339-L376 HydrophobicContact CE-CD2 3.53Å; L374-L376 PolarHBondContact O-N 3.43Å; L376-S378 PolarHBondContact O-N 2.87Å; L376-L419 HydrophobicContact CB-CD2 4.07Å; L376-L419 HydrophobicContact CD1-CD2 3.55Å; L376-L419 HydrophobicContact CD2-CD2 4.02Å; L376-L419 HydrophobicContact CG-CD2 4.06Å; L376-Y422 HydrophobicContact CD1-CD2 3.9Å; L376-Y422 HydrophobicContact CD1-CG 4.49Å; L376-Y422 HydrophobicContact CD2-CD2 3.51Å; L376-Y422 HydrophobicContact CD2-CE2 3.78Å; L376-Y422 HydrophobicContact CG-CD2 4.28Å
377	S	55.5	Low	64.5	Low	79 Å²	79	68.9 Å²	68.9	55%	0.552	38%	0.376	S	S	*	.			trans	-51.1	114.2	176.4	32.4	0	0	0	0	109.4	L375 K379	L375-S377 PolarHBondContact O-N 2.85Å; S377-K379 PolarHBondContact O-N 3.33Å
378	S	42.9	Very low	62.5	Low	96 Å²	96	68.2 Å²	68.2	67%	0.671	37%	0.37	S	S	*	.			trans	-44	132.9	-178.7	174.4	0	0	0	0	111.2	L376 N380	L376-S378 PolarHBondContact O-N 2.87Å; S378-N380 PolarHBondContact O-N 3.16Å
379	K	41.1	Very low	60.8	Low	185 Å²	185	73.8 Å²	73.8	80%	0.804	39%	0.393	S	S	*	.	S	Bend	trans	-7.7	60	166.4	-64.1	-178	174.9	179.2	0	117.4	S377	S377-K379 PolarHBondContact O-N 3.33Å
380	N	38.8	Very low	59.1	Low	114 Å²	114	77.3 Å²	77.3	61%	0.61	41%	0.41	S	S	*	.			trans	-104	139.6	164.4	-71.5	-8.6	0	0	0	106.5	S378 T382 S383	S378-N380 PolarHBondContact O-N 3.16Å; N380-T382 PolarHBondContact O-N 3.24Å; N380-S383 PolarHBondContact O-N 2.92Å; N380-S383 PolarHBondContact O-OG 3.26Å
381	D	44.1	Very low	57.6	Low	135 Å²	135	78.4 Å²	78.4	72%	0.722	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-14.9	-173.6	-66.1	-46	0	0	0	115	S384 I385	D381-S384 PolarHBondContact O-OG 2.97Å; D381-I385 VanDerWaalsContact O-CD1 3.3Å; D381-I385 WeakPolarHBondContact O-CD1 3.36Å; D381-I385 VanDerWaalsContact O-CG1 3.25Å; D381-I385 WeakPolarHBondContact O-CG1 3.14Å; D381-I385 PolarHBondContact O-N 3.32Å
382	T	45.1	Very low	56.3	Low	90 Å²	90	79.2 Å²	79.2	55%	0.552	41%	0.413	S	S	*	.	H	α-helix	trans	-63.6	-34.3	172	-28.5	0	0	0	0	113.7	N380 I385 E386	N380-T382 PolarHBondContact O-N 3.24Å; T382-I385 WeakPolarHBondContact O-CB 3.36Å; T382-I385 PolarHBondContact O-N 2.68Å; T382-E386 PolarHBondContact O-N 3.13Å
383	S	48.8	Very low	54.6	Low	29 Å²	29	82.1 Å²	82.1	20%	0.203	42%	0.424	C	S	.	.	H	α-helix	trans	-72.5	-38.4	-176.1	63.1	0	0	0	0	112.7	N380 I385 E386 L387	N380-S383 PolarHBondContact O-N 2.92Å; N380-S383 PolarHBondContact O-OG 3.26Å; S383-I385 VanDerWaalsContact C-N 3.28Å; S383-I385 PolarHBondContact O-N 3.39Å; S383-E386 PolarHBondContact O-N 3.5Å; S383-L387 WeakPolarHBondContact O-CB 3.27Å; S383-L387 WeakPolarHBondContact O-CD1 3.32Å; S383-L387 WeakPolarHBondContact O-CG 3.24Å; S383-L387 PolarHBondContact O-N 3.12Å
384	S	49.4	Very low	52.9	Low	37 Å²	37	85.8 Å²	85.8	26%	0.259	44%	0.443	S	S	.	.	H	α-helix	trans	-64.4	-36.1	171.5	41.8	0	0	0	0	111	D381 Q388	D381-S384 PolarHBondContact O-OG 2.97Å; S384-Q388 VanDerWaalsContact O-CB 3.27Å; S384-Q388 WeakPolarHBondContact O-CB 3.47Å; S384-Q388 WeakPolarHBondContact O-CG 3.34Å; S384-Q388 PolarHBondContact O-N 3.03Å
385	I	49	Very low	51.5	Low	81 Å²	81	85.7 Å²	85.7	42%	0.415	44%	0.442	S	S	.	.	H	α-helix	trans	-65.5	-49.4	175.6	-68.9	165.7	0	0	0	111.4	D381 T382 S383 Q388 F389	D381-I385 VanDerWaalsContact O-CD1 3.3Å; D381-I385 WeakPolarHBondContact O-CD1 3.36Å; D381-I385 VanDerWaalsContact O-CG1 3.25Å; D381-I385 WeakPolarHBondContact O-CG1 3.14Å; D381-I385 PolarHBondContact O-N 3.32Å; T382-I385 WeakPolarHBondContact O-CB 3.36Å; T382-I385 PolarHBondContact O-N 2.68Å; S383-I385 VanDerWaalsContact C-N 3.28Å; S383-I385 PolarHBondContact O-N 3.39Å; I385-Q388 WeakPolarHBondContact O-CB 3.47Å; I385-Q388 PolarHBondContact O-N 3.44Å; I385-F389 HydrophobicContact CG2-CD2 3.74Å; I385-F389 HydrophobicContact CG2-CE2 3.32Å; I385-F389 HydrophobicContact CG2-CZ 4.39Å; I385-F389 WeakPolarHBondContact O-CD2 3.4Å; I385-F389 PolarHBondContact O-N 2.62Å
386	E	50.8	Low	50.5	Low	90 Å²	90	86 Å²	86	42%	0.421	44%	0.444	S	S	.	.	H	α-helix	trans	-64.4	-39.9	177.7	-75.6	-172.6	170.3	0	0	113.1	T382 S383 F389 N390	T382-E386 PolarHBondContact O-N 3.13Å; S383-E386 PolarHBondContact O-N 3.5Å; E386-F389 WeakPolarHBondContact O-CB 3.28Å; E386-F389 PolarHBondContact O-N 2.81Å; E386-N390 PolarHBondContact O-N 2.75Å
387	L	50	Low	50	Low	6 Å²	6	89.2 Å²	89.2	3%	0.031	46%	0.462	C	S	.	.	H	α-helix	trans	-62.8	-43	173.5	-78.6	164.3	0	0	0	111.1	M339 L342 S383 F389 N390 H391	M339-L387 HydrophobicContact SD-CD1 4.47Å; M339-L387 HydrophobicContact SD-CD2 4.44Å; M339-L387 HydrophobicContact SD-CG 4.39Å; L342-L387 HydrophobicContact CD2-CD2 3.84Å; S383-L387 WeakPolarHBondContact O-CB 3.27Å; S383-L387 WeakPolarHBondContact O-CD1 3.32Å; S383-L387 WeakPolarHBondContact O-CG 3.24Å; S383-L387 PolarHBondContact O-N 3.12Å; L387-F389 VanDerWaalsContact C-N 3.3Å; L387-F389 PolarHBondContact O-N 3.18Å; L387-N390 PolarHBondContact O-N 3.24Å; L387-H391 WeakPolarHBondContact O-CB 3.47Å; L387-H391 PolarHBondContact O-CD2 3.44Å; L387-H391 PolarHBondContact O-N 3.34Å
388	Q	50.9	Low	49.9	Very low	66 Å²	66	90.8 Å²	90.8	31%	0.308	46%	0.463	S	S	.	.	H	α-helix	trans	-60.4	-38.8	174	-77.6	173.6	11.8	0	0	112.2	S384 I385 H391 R392 M402	S384-Q388 VanDerWaalsContact O-CB 3.27Å; S384-Q388 WeakPolarHBondContact O-CB 3.47Å; S384-Q388 WeakPolarHBondContact O-CG 3.34Å; S384-Q388 PolarHBondContact O-N 3.03Å; I385-Q388 WeakPolarHBondContact O-CB 3.47Å; I385-Q388 PolarHBondContact O-N 3.44Å; Q388-H391 CarbonylContact O-C 3.54Å; Q388-H391 PolarHBondContact O-N 2.79Å; Q388-R392 WeakPolarHBondContact O-CA 3.36Å; Q388-R392 PolarHBondContact O-N 3.24Å; Q388-M402 HydrophobicContact CG-CE 3.89Å
389	F	55.3	Low	50.4	Low	128 Å²	128	95.2 Å²	95.2	56%	0.561	47%	0.47	S	S	*	.	H	α-helix	trans	-61.9	-46.6	174.7	-79.9	-66.4	0	0	0	112.1	I385 E386 L387 H391 R392	I385-F389 HydrophobicContact CG2-CD2 3.74Å; I385-F389 HydrophobicContact CG2-CE2 3.32Å; I385-F389 HydrophobicContact CG2-CZ 4.39Å; I385-F389 WeakPolarHBondContact O-CD2 3.4Å; I385-F389 PolarHBondContact O-N 2.62Å; E386-F389 WeakPolarHBondContact O-CB 3.28Å; E386-F389 PolarHBondContact O-N 2.81Å; L387-F389 VanDerWaalsContact C-N 3.3Å; L387-F389 PolarHBondContact O-N 3.18Å; F389-H391 VanDerWaalsContact C-N 3.28Å; F389-H391 PolarHBondContact O-N 2.95Å; F389-R392 VanDerWaalsContact O-CB 3.31Å; F389-R392 WeakPolarHBondContact O-CB 3.29Å; F389-R392 PolarHBondContact O-N 3.3Å
390	N	53	Low	50.9	Low	99 Å²	99	88.2 Å²	88.2	53%	0.529	44%	0.442	S	S	.	.	H	α-helix	trans	-66.4	-30.3	178.6	-76	-33.4	0	0	0	112.9	E386 L387	E386-N390 PolarHBondContact O-N 2.75Å; L387-N390 PolarHBondContact O-N 3.24Å
391	H	55.9	Low	51.7	Low	25 Å²	25	87 Å²	87	12%	0.116	44%	0.435	C	S	.	.	H	α-helix	trans	-92.4	1.1	177.7	-73.5	-75.2	0	0	0	114	L387 Q388 F389 Q393 L394 I395 F413	L387-H391 WeakPolarHBondContact O-CB 3.47Å; L387-H391 PolarHBondContact O-CD2 3.44Å; L387-H391 PolarHBondContact O-N 3.34Å; Q388-H391 CarbonylContact O-C 3.54Å; Q388-H391 PolarHBondContact O-N 2.79Å; F389-H391 VanDerWaalsContact C-N 3.28Å; F389-H391 PolarHBondContact O-N 2.95Å; H391-Q393 VanDerWaalsContact C-N 3.33Å; H391-Q393 PolarHBondContact O-N 2.98Å; H391-L394 CarbonylContact O-C 3.52Å; H391-L394 WeakPolarHBondContact O-CA 3.47Å; H391-L394 WeakPolarHBondContact O-CB 3.13Å; H391-L394 PolarHBondContact O-N 3.32Å; H391-I395 HydrophobicContact CB-CD1 4.41Å; H391-I395 WeakPolarHBondContact O-CG1 3.46Å; H391-I395 PolarHBondContact O-N 3.18Å; H391-F413 HydrophobicContact CB-CD1 3.98Å; H391-F413 HydrophobicContact CB-CE1 3.9Å
392	R	56.1	Low	52.2	Low	146 Å²	146	82.7 Å²	82.7	55%	0.551	41%	0.411	S	S	*	.	H	α-helix	trans	-57.5	-42.6	-174	-170.8	170.1	-177.8	153.8	0.9	113.2	Q388 F389 L394 I395 D396	Q388-R392 WeakPolarHBondContact O-CA 3.36Å; Q388-R392 PolarHBondContact O-N 3.24Å; F389-R392 VanDerWaalsContact O-CB 3.31Å; F389-R392 WeakPolarHBondContact O-CB 3.29Å; F389-R392 PolarHBondContact O-N 3.3Å; R392-L394 VanDerWaalsContact C-N 3.26Å; R392-L394 PolarHBondContact O-N 2.67Å; R392-I395 WeakPolarHBondContact O-CB 3.47Å; R392-I395 PolarHBondContact O-N 3.31Å; R392-D396 WeakPolarHBondContact O-CB 3.49Å; R392-D396 PolarHBondContact O-N 3.07Å
393	Q	50.4	Low	52.6	Low	147 Å²	147	85.4 Å²	85.4	69%	0.687	42%	0.422	S	S	*	.	H	α-helix	trans	-61.1	-38.4	176.3	-171	174.7	2.4	0	0	111.9	H391 D396 D397	H391-Q393 VanDerWaalsContact C-N 3.33Å; H391-Q393 PolarHBondContact O-N 2.98Å; Q393-D396 PolarHBondContact O-N 3.48Å; Q393-D397 VanDerWaalsContact O-CB 3.32Å; Q393-D397 WeakPolarHBondContact O-CB 3.35Å; Q393-D397 PolarHBondContact O-N 3.42Å
394	L	49.9	Very low	52.6	Low	77 Å²	77	89 Å²	89	40%	0.403	44%	0.435	S	S	.	.	H	α-helix	trans	-72.4	-34	178.6	-160	143.6	0	0	0	111.6	H391 R392 L398	H391-L394 CarbonylContact O-C 3.52Å; H391-L394 WeakPolarHBondContact O-CA 3.47Å; H391-L394 WeakPolarHBondContact O-CB 3.13Å; H391-L394 PolarHBondContact O-N 3.32Å; R392-L394 VanDerWaalsContact C-N 3.26Å; R392-L394 PolarHBondContact O-N 2.67Å; L394-L398 HydrophobicContact CD2-CD1 3.5Å; L394-L398 HydrophobicContact CD2-CG 4.39Å; L394-L398 HydrophobicContact CG-CD1 4.3Å; L394-L398 VanDerWaalsContact O-CB 3.27Å; L394-L398 WeakPolarHBondContact O-CB 3.18Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.48Å; L394-L398 PolarHBondContact O-N 2.76Å
395	I	52.5	Low	52.6	Low	16 Å²	16	91.5 Å²	91.5	8%	0.082	45%	0.451	C	S	.	.	H	α-helix	trans	-64.5	-46	172.3	-67.6	159.4	0	0	0	110.5	H391 R392 K399 I400 M402 F413	H391-I395 HydrophobicContact CB-CD1 4.41Å; H391-I395 WeakPolarHBondContact O-CG1 3.46Å; H391-I395 PolarHBondContact O-N 3.18Å; R392-I395 WeakPolarHBondContact O-CB 3.47Å; R392-I395 PolarHBondContact O-N 3.31Å; I395-K399 WeakPolarHBondContact O-CA 3.36Å; I395-K399 PolarHBondContact O-N 3.46Å; I395-I400 HydrophobicContact CG2-CB 4.31Å; I395-I400 PolarHBondContact O-N 2.98Å; I395-M402 HydrophobicContact CD1-CE 3.43Å; I395-M402 VanDerWaalsContact CD1-CE 3.43Å; I395-M402 HydrophobicContact CD1-CG 4.45Å; I395-M402 HydrophobicContact CD1-SD 3.94Å; I395-M402 HydrophobicContact CG1-CE 4.22Å; I395-M402 HydrophobicContact CG1-SD 4.1Å; I395-M402 HydrophobicContact CG2-CG 3.76Å; I395-M402 HydrophobicContact CG2-SD 4.12Å; I395-F413 HydrophobicContact CD1-CD1 4.07Å; I395-F413 HydrophobicContact CD1-CE1 3.69Å; I395-F413 HydrophobicContact CD1-CZ 4.4Å; I395-F413 HydrophobicContact CG1-CD1 4.23Å; I395-F413 HydrophobicContact CG1-CE1 3.36Å; I395-F413 HydrophobicContact CG1-CZ 3.71Å
396	D	54.7	Low	52.7	Low	104 Å²	104	91.3 Å²	91.3	56%	0.556	45%	0.454	S	S	*	.	H	α-helix	trans	-65.9	-46.4	179.5	-71.9	-20.9	0	0	0	111	R392 Q393 L398 K399	R392-D396 WeakPolarHBondContact O-CB 3.49Å; R392-D396 PolarHBondContact O-N 3.07Å; Q393-D396 PolarHBondContact O-N 3.48Å; D396-L398 VanDerWaalsContact C-N 3.34Å; D396-L398 PolarHBondContact O-N 2.96Å; D396-K399 PolarHBondContact O-N 2.69Å; D396-K399 VanDerWaalsContact O-N 3.17Å
397	D	55.4	Low	52.4	Low	124 Å²	124	89.2 Å²	89.2	66%	0.663	45%	0.445	S	S	*	.	H	α-helix	trans	-62.9	-39	178.8	-76	-16.8	0	0	0	112.2	Q393 K399	Q393-D397 VanDerWaalsContact O-CB 3.32Å; Q393-D397 WeakPolarHBondContact O-CB 3.35Å; Q393-D397 PolarHBondContact O-N 3.42Å; D397-K399 VanDerWaalsContact C-N 3.34Å
398	L	52.9	Low	52.1	Low	111 Å²	111	91.9 Å²	91.9	58%	0.581	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.1	178.6	-65.7	178.4	0	0	0	113.6	L394 D396 I400	L394-L398 HydrophobicContact CD2-CD1 3.5Å; L394-L398 HydrophobicContact CD2-CG 4.39Å; L394-L398 HydrophobicContact CG-CD1 4.3Å; L394-L398 VanDerWaalsContact O-CB 3.27Å; L394-L398 WeakPolarHBondContact O-CB 3.18Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.48Å; L394-L398 PolarHBondContact O-N 2.76Å; D396-L398 VanDerWaalsContact C-N 3.34Å; D396-L398 PolarHBondContact O-N 2.96Å; L398-I400 HydrophobicContact CB-CD1 3.65Å; L398-I400 HydrophobicContact CB-CG1 3.61Å; L398-I400 HydrophobicContact CD1-CD1 3.69Å; L398-I400 HydrophobicContact CG-CD1 4.33Å; L398-I400 PolarHBondContact O-N 3.19Å
399	K	53.9	Low	51.9	Low	189 Å²	189	95.8 Å²	95.8	82%	0.822	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	39.6	-174.6	-59.3	-176.1	178.7	-177.3	0	112.6	I395 D396 D397 N401	I395-K399 WeakPolarHBondContact O-CA 3.36Å; I395-K399 PolarHBondContact O-N 3.46Å; D396-K399 PolarHBondContact O-N 2.69Å; D396-K399 VanDerWaalsContact O-N 3.17Å; D397-K399 VanDerWaalsContact C-N 3.34Å; K399-N401 PolarHBondContact O-N 3.13Å
400	I	52.9	Low	51.6	Low	39 Å²	39	90 Å²	90	20%	0.2	45%	0.454	C	S	.	.			trans	-73	115.1	-178.1	-67.7	170.3	0	0	0	107.8	I395 L398 M402 N407 F413	I395-I400 HydrophobicContact CG2-CB 4.31Å; I395-I400 PolarHBondContact O-N 2.98Å; L398-I400 HydrophobicContact CB-CD1 3.65Å; L398-I400 HydrophobicContact CB-CG1 3.61Å; L398-I400 HydrophobicContact CD1-CD1 3.69Å; L398-I400 HydrophobicContact CG-CD1 4.33Å; L398-I400 PolarHBondContact O-N 3.19Å; I400-M402 HydrophobicContact CG2-SD 4.1Å; I400-M402 PolarHBondContact O-N 2.87Å; I400-M402 VanDerWaalsContact O-N 3.1Å; I400-N407 HydrophobicContact CG2-CB 3.73Å; I400-F413 HydrophobicContact CD1-CE2 4.18Å; I400-F413 HydrophobicContact CD1-CZ 3.8Å; I400-F413 HydrophobicContact CG2-CE2 4.45Å
401	N	54.5	Low	51.3	Low	89 Å²	89	85.8 Å²	85.8	48%	0.476	43%	0.432	S	S	.	.			trans	-70.8	106.8	173.5	-171.7	-8.9	0	0	0	109.3	K399 D403 H404 N407	K399-N401 PolarHBondContact O-N 3.13Å; N401-D403 PolarHBondContact O-N 3.43Å; N401-D403 WeakPolarHBondContact OD1-CB 3.37Å; N401-D403 PolarHBondContact OD1-N 3.11Å; N401-H404 WeakPolarHBondContact O-CB 3.4Å; N401-H404 PolarHBondContact O-N 3.5Å; N401-N407 PolarHBondContact O-ND2 3.09Å
402	M	54.3	Low	50.9	Low	43 Å²	43	88 Å²	88	21%	0.212	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.5	179.8	-64.9	-65.4	-93.8	0	0	112.7	Q388 I395 I400 H404 V408 F413	Q388-M402 HydrophobicContact CG-CE 3.89Å; I395-M402 HydrophobicContact CD1-CE 3.43Å; I395-M402 VanDerWaalsContact CD1-CE 3.43Å; I395-M402 HydrophobicContact CD1-CG 4.45Å; I395-M402 HydrophobicContact CD1-SD 3.94Å; I395-M402 HydrophobicContact CG1-CE 4.22Å; I395-M402 HydrophobicContact CG1-SD 4.1Å; I395-M402 HydrophobicContact CG2-CG 3.76Å; I395-M402 HydrophobicContact CG2-SD 4.12Å; I400-M402 HydrophobicContact CG2-SD 4.1Å; I400-M402 PolarHBondContact O-N 2.87Å; I400-M402 VanDerWaalsContact O-N 3.1Å; M402-H404 PolarHBondContact O-N 3.07Å; M402-V408 WeakPolarHBondContact O-CG2 3.06Å; M402-F413 HydrophobicContact CE-CD1 4.41Å; M402-F413 HydrophobicContact CE-CG 4.41Å
403	D	54.4	Low	50.5	Low	147 Å²	147	81.5 Å²	81.5	79%	0.786	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.2	173.5	-59.9	-29.7	0	0	0	111.9	N401 P405	N401-D403 PolarHBondContact O-N 3.43Å; N401-D403 WeakPolarHBondContact OD1-CB 3.37Å; N401-D403 PolarHBondContact OD1-N 3.11Å; D403-P405 WeakPolarHBondContact O-CD 3.42Å
404	H	48.5	Very low	50.6	Low	104 Å²	104	76.6 Å²	76.6	48%	0.481	40%	0.4	S	S	.	.	S	Bend	trans	-79.3	119.7	178.8	-139	-79.6	0	0	0	110.3	N401 M402 T406 N407 V408	N401-H404 WeakPolarHBondContact O-CB 3.4Å; N401-H404 PolarHBondContact O-N 3.5Å; M402-H404 PolarHBondContact O-N 3.07Å; H404-T406 PolarHBondContact ND1-OG1 3.05Å; H404-T406 VanDerWaalsContact ND1-OG1 3.15Å; H404-T406 PolarHBondContact O-N 2.96Å; H404-N407 PolarHBondContact O-N 2.76Å; H404-V408 PolarHBondContact O-N 2.85Å
405	P	48.7	Very low	50.9	Low	90 Å²	90	73.1 Å²	73.1	58%	0.584	38%	0.382	S	S	*	.	H	α-helix	trans	-62.7	-19.2	-170	20.6	-32.1	0	0	0	114.6	D403	D403-P405 WeakPolarHBondContact O-CD 3.42Å
406	T	51.2	Low	51.2	Low	77 Å²	77	76 Å²	76	47%	0.472	40%	0.397	S	S	.	.	H	α-helix	trans	-73.8	-32.8	174	47.9	0	0	0	0	112.9	H404	H404-T406 PolarHBondContact ND1-OG1 3.05Å; H404-T406 VanDerWaalsContact ND1-OG1 3.15Å; H404-T406 PolarHBondContact O-N 2.96Å
407	N	43.8	Very low	51.7	Low	46 Å²	46	73.8 Å²	73.8	25%	0.246	38%	0.384	C	S	.	.	H	α-helix	trans	-79.7	-41.1	-176.3	-65.7	-14.1	0	0	0	110.8	I400 N401 H404 K409 A410 F413	I400-N407 HydrophobicContact CG2-CB 3.73Å; N401-N407 PolarHBondContact O-ND2 3.09Å; H404-N407 PolarHBondContact O-N 2.76Å; N407-K409 PolarHBondContact O-N 3.25Å; N407-K409 VanDerWaalsContact O-N 3.1Å; N407-A410 WeakPolarHBondContact O-CB 3.43Å; N407-A410 PolarHBondContact O-N 2.94Å; N407-F413 VanDerWaalsContact O-CD2 3.24Å; N407-F413 WeakPolarHBondContact O-CD2 3.29Å
408	V	45.8	Very low	52.3	Low	62 Å²	62	69 Å²	69	38%	0.376	36%	0.358	S	S	.	.	H	α-helix	trans	-56.3	-30.3	174.7	-172.6	0	0	0	0	112	M402 H404	M402-V408 WeakPolarHBondContact O-CG2 3.06Å; H404-V408 PolarHBondContact O-N 2.85Å
409	K	46.5	Very low	53.1	Low	148 Å²	148	67 Å²	67	64%	0.643	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	6.6	-178.5	-66.1	-175.8	178.5	-177.3	0	114.1	N203 N407	N203-K409 PolarHBondContact ND2-O 2.82Å; N407-K409 PolarHBondContact O-N 3.25Å; N407-K409 VanDerWaalsContact O-N 3.1Å
410	A	47.8	Very low	53.9	Low	8 Å²	8	60.2 Å²	60.2	7%	0.066	32%	0.318	C	S	.	.			trans	-65	137.6	178.9	0	0	0	0	0	110.7	N203 N407 I412 F413 T414	N203-A410 HydrophobicContact CB-CB 3.66Å; N203-A410 WeakPolarHBondContact ND2-CA 3.44Å; N407-A410 WeakPolarHBondContact O-CB 3.43Å; N407-A410 PolarHBondContact O-N 2.94Å; A410-I412 PolarHBondContact O-N 2.88Å; A410-F413 HydrophobicContact CB-CD2 3.65Å; A410-F413 HydrophobicContact CB-CE2 4.12Å; A410-F413 WeakPolarHBondContact O-CA 3.27Å; A410-F413 PolarHBondContact O-N 3.31Å; A410-T414 PolarHBondContact O-N 2.71Å; A410-T414 PolarHBondContact O-OG1 2.82Å
411	P	47	Very low	55	Low	9 Å²	9	59.5 Å²	59.5	6%	0.058	32%	0.318	C	S	.	.	H	α-helix	trans	-53.8	-30.9	-177.3	-27.6	36.4	0	0	0	114.1	N203 F413 T414 G415 D416 E417	N203-P411 WeakPolarHBondContact ND2-CD 3.07Å; P411-F413 VanDerWaalsContact C-N 3.28Å; P411-F413 PolarHBondContact O-N 2.84Å; P411-T414 VanDerWaalsContact CA-OG1 3.28Å; P411-T414 WeakPolarHBondContact CA-OG1 3.31Å; P411-T414 PolarHBondContact O-OG1 2.88Å; P411-G415 PolarHBondContact O-N 2.82Å; P411-G415 VanDerWaalsContact O-N 3.16Å; P411-D416 HydrophobicContact CB-CB 4.24Å; P411-D416 PolarHBondContact O-N 2.92Å; P411-E417 HydrophobicContact CB-CG 3.9Å
412	I	48.3	Very low	56.2	Low	73 Å²	73	55.3 Å²	55.3	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-34.6	175.7	-63.7	171.6	0	0	0	111.3	A410	A410-I412 PolarHBondContact O-N 2.88Å
413	F	47.6	Very low	57.4	Low	8 Å²	8	55.7 Å²	55.7	4%	0.035	30%	0.303	C	S	.	.	H	α-helix	trans	-97.9	-24	-179.5	-55.9	-59.9	0	0	0	113.4	H391 I395 I400 M402 N407 A410 P411 G415	H391-F413 HydrophobicContact CB-CD1 3.98Å; H391-F413 HydrophobicContact CB-CE1 3.9Å; I395-F413 HydrophobicContact CD1-CD1 4.07Å; I395-F413 HydrophobicContact CD1-CE1 3.69Å; I395-F413 HydrophobicContact CD1-CZ 4.4Å; I395-F413 HydrophobicContact CG1-CD1 4.23Å; I395-F413 HydrophobicContact CG1-CE1 3.36Å; I395-F413 HydrophobicContact CG1-CZ 3.71Å; I400-F413 HydrophobicContact CD1-CE2 4.18Å; I400-F413 HydrophobicContact CD1-CZ 3.8Å; I400-F413 HydrophobicContact CG2-CE2 4.45Å; M402-F413 HydrophobicContact CE-CD1 4.41Å; M402-F413 HydrophobicContact CE-CG 4.41Å; N407-F413 VanDerWaalsContact O-CD2 3.24Å; N407-F413 WeakPolarHBondContact O-CD2 3.29Å; A410-F413 HydrophobicContact CB-CD2 3.65Å; A410-F413 HydrophobicContact CB-CE2 4.12Å; A410-F413 WeakPolarHBondContact O-CA 3.27Å; A410-F413 PolarHBondContact O-N 3.31Å; P411-F413 VanDerWaalsContact C-N 3.28Å; P411-F413 PolarHBondContact O-N 2.84Å; F413-G415 VanDerWaalsContact C-N 3.31Å
414	T	52.9	Low	58.7	Low	45 Å²	45	50.4 Å²	50.4	28%	0.276	27%	0.272	S	S	.	.	H	α-helix	trans	-80.9	-14.2	175.7	60.7	0	0	0	0	112.7	A410 P411 D416	A410-T414 PolarHBondContact O-N 2.71Å; A410-T414 PolarHBondContact O-OG1 2.82Å; P411-T414 VanDerWaalsContact CA-OG1 3.28Å; P411-T414 WeakPolarHBondContact CA-OG1 3.31Å; P411-T414 PolarHBondContact O-OG1 2.88Å; T414-D416 PolarHBondContact O-N 3.06Å; T414-D416 PolarHBondContact OG1-N 3.37Å; T414-D416 PolarHBondContact OG1-OD2 3.19Å
415	G	54.9	Low	60.6	Low	3 Å²	3	45.5 Å²	45.5	3%	0.031	25%	0.249	C	C	.	.	S	Bend	trans	78.6	4	-174.5	0	0	0	0	0	113.5	P411 F413 E417 D418 L419	P411-G415 PolarHBondContact O-N 2.82Å; P411-G415 VanDerWaalsContact O-N 3.16Å; F413-G415 VanDerWaalsContact C-N 3.31Å; G415-E417 PolarHBondContact O-N 3.08Å; G415-D418 PolarHBondContact O-N 3.38Å; G415-L419 WeakPolarHBondContact O-CG 3.45Å; G415-L419 PolarHBondContact O-N 2.91Å
416	D	60	Low	62.4	Low	76 Å²	76	43.1 Å²	43.1	41%	0.406	23%	0.231	S	C	.	.	H	α-helix	trans	-61.5	-34	-179	-70.3	-38.5	0	0	0	112.1	P411 T414 F420	P411-D416 HydrophobicContact CB-CB 4.24Å; P411-D416 PolarHBondContact O-N 2.92Å; T414-D416 PolarHBondContact O-N 3.06Å; T414-D416 PolarHBondContact OG1-N 3.37Å; T414-D416 PolarHBondContact OG1-OD2 3.19Å; D416-F420 VanDerWaalsContact O-CB 3.31Å; D416-F420 WeakPolarHBondContact O-CB 3.33Å; D416-F420 PolarHBondContact O-N 2.73Å
417	E	65	Low	63.9	Low	58 Å²	58	39.6 Å²	39.6	27%	0.271	21%	0.21	S	C	.	.	H	α-helix	trans	-67.2	-41	173.4	-86.7	-174.8	171.2	0	0	112.7	R195 P411 G415 F420 A421	R195-E417 IonicContact NH2-OE1 2.76Å; R195-E417 PolarHBondContact NH2-OE1 2.8Å; P411-E417 HydrophobicContact CB-CG 3.9Å; G415-E417 PolarHBondContact O-N 3.08Å; E417-F420 PolarHBondContact O-N 2.72Å; E417-A421 WeakPolarHBondContact O-CB 3.1Å; E417-A421 PolarHBondContact O-N 3.2Å
418	D	67.7	Low	66	Low	23 Å²	23	37.7 Å²	37.7	12%	0.123	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-48.3	178	-75.6	-24.5	0	0	0	109.7	K346 G415 F420 A421 Y422	K346-D418 VanDerWaalsContact CE-CG 3.49Å; K346-D418 WeakPolarHBondContact CE-OD1 3.38Å; K346-D418 VanDerWaalsContact CE-OD2 3.28Å; K346-D418 WeakPolarHBondContact CE-OD2 3.39Å; K346-D418 IonicContact NZ-OD1 3.62Å; K346-D418 PolarHBondContact NZ-OD1 3.48Å; K346-D418 VanDerWaalsContact NZ-OD1 3.08Å; K346-D418 IonicContact NZ-OD2 3.08Å; K346-D418 PolarHBondContact NZ-OD2 3.21Å; G415-D418 PolarHBondContact O-N 3.38Å; D418-F420 VanDerWaalsContact C-N 3.27Å; D418-F420 PolarHBondContact O-N 3.41Å; D418-A421 PolarHBondContact O-N 3.31Å; D418-A421 VanDerWaalsContact O-N 3.12Å; D418-Y422 VanDerWaalsContact C-CD2 3.4Å; D418-Y422 HydrophobicContact CB-CD2 4.44Å; D418-Y422 HydrophobicContact CB-CE2 3.65Å; D418-Y422 WeakPolarHBondContact O-CB 3.48Å; D418-Y422 WeakPolarHBondContact O-CD1 3.49Å; D418-Y422 WeakPolarHBondContact O-CD2 3.4Å; D418-Y422 WeakPolarHBondContact O-CE2 3.34Å; D418-Y422 PolarHBondContact O-N 2.97Å
419	L	69.4	Low	68.2	Low	70 Å²	70	34.9 Å²	34.9	37%	0.366	18%	0.182	S	C	.	.	H	α-helix	trans	-53.7	-43.5	173.5	-68.5	177.7	0	0	0	112.2	L376 G415 Y422 S423	L376-L419 HydrophobicContact CB-CD2 4.07Å; L376-L419 HydrophobicContact CD1-CD2 3.55Å; L376-L419 HydrophobicContact CD2-CD2 4.02Å; L376-L419 HydrophobicContact CG-CD2 4.06Å; G415-L419 WeakPolarHBondContact O-CG 3.45Å; G415-L419 PolarHBondContact O-N 2.91Å; L419-Y422 PolarHBondContact O-N 2.8Å; L419-S423 PolarHBondContact O-N 3.27Å
420	F	70.1	Confident	70.1	Confident	46 Å²	46	29.4 Å²	29.4	20%	0.202	16%	0.159	C	C	.	.	H	α-helix	trans	-63.7	-49.4	177.3	179.8	-92.4	0	0	0	111.5	V92 N194 D416 E417 D418 Y422 S423 R424	V92-F420 HydrophobicContact CG2-CD2 4.38Å; V92-F420 HydrophobicContact CG2-CE2 3.45Å; V92-F420 VanDerWaalsContact CG2-CE2 3.45Å; V92-F420 HydrophobicContact CG2-CZ 3.48Å; V92-F420 VanDerWaalsContact CG2-CZ 3.48Å; N194-F420 HydrophobicContact CB-CD2 4.32Å; N194-F420 HydrophobicContact CB-CE1 3.96Å; N194-F420 HydrophobicContact CB-CE2 3.31Å; N194-F420 HydrophobicContact CB-CZ 3.14Å; N194-F420 WeakPolarHBondContact ND2-CZ 3.49Å; D416-F420 VanDerWaalsContact O-CB 3.31Å; D416-F420 WeakPolarHBondContact O-CB 3.33Å; D416-F420 PolarHBondContact O-N 2.73Å; E417-F420 PolarHBondContact O-N 2.72Å; D418-F420 VanDerWaalsContact C-N 3.27Å; D418-F420 PolarHBondContact O-N 3.41Å; F420-Y422 PolarHBondContact O-N 3.09Å; F420-S423 PolarHBondContact O-N 3.21Å; F420-S423 PolarHBondContact O-OG 3.49Å; F420-R424 PolarHBondContact O-N 2.98Å
421	A	75.6	Confident	71.8	Confident	24 Å²	24	31 Å²	31	20%	0.198	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-34.2	178	0	0	0	0	0	112	T349 E417 D418 R424 T425	T349-A421 HydrophobicContact CG2-CB 4.05Å; E417-A421 WeakPolarHBondContact O-CB 3.1Å; E417-A421 PolarHBondContact O-N 3.2Å; D418-A421 PolarHBondContact O-N 3.31Å; D418-A421 VanDerWaalsContact O-N 3.12Å; A421-R424 WeakPolarHBondContact O-CB 3.36Å; A421-R424 PolarHBondContact O-N 3.28Å; A421-T425 PolarHBondContact O-N 2.75Å; A421-T425 PolarHBondContact O-OG1 3.4Å
422	Y	81.3	Confident	73.8	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-70.5	-46.5	176.2	-61.5	-22.1	0	0	0	113.2	M339 L342 L345 L374 L376 D418 L419 F420 R424 T425 L426	M339-Y422 HydrophobicContact CE-CE2 3.9Å; L342-Y422 WeakPolarHBondContact CD1-OH 3.42Å; L345-Y422 HydrophobicContact CD1-CD1 3.82Å; L345-Y422 HydrophobicContact CD1-CE1 3.72Å; L345-Y422 HydrophobicContact CD2-CD1 4.04Å; L345-Y422 HydrophobicContact CD2-CD2 4.13Å; L345-Y422 HydrophobicContact CD2-CE1 3.52Å; L345-Y422 HydrophobicContact CD2-CE2 3.55Å; L345-Y422 HydrophobicContact CD2-CG 4.35Å; L345-Y422 WeakPolarHBondContact CD2-OH 3.32Å; L345-Y422 HydrophobicContact CG-CD1 3.9Å; L345-Y422 HydrophobicContact CG-CE1 3.29Å; L345-Y422 HydrophobicContact CG-CE2 4.29Å; L345-Y422 VanDerWaalsContact CG-CZ 3.5Å; L374-Y422 HydrophobicContact CD1-CG 4.2Å; L376-Y422 HydrophobicContact CD1-CD2 3.9Å; L376-Y422 HydrophobicContact CD1-CG 4.49Å; L376-Y422 HydrophobicContact CD2-CD2 3.51Å; L376-Y422 HydrophobicContact CD2-CE2 3.78Å; L376-Y422 HydrophobicContact CG-CD2 4.28Å; D418-Y422 VanDerWaalsContact C-CD2 3.4Å; D418-Y422 HydrophobicContact CB-CD2 4.44Å; D418-Y422 HydrophobicContact CB-CE2 3.65Å; D418-Y422 WeakPolarHBondContact O-CB 3.48Å; D418-Y422 WeakPolarHBondContact O-CD1 3.49Å; D418-Y422 WeakPolarHBondContact O-CD2 3.4Å; D418-Y422 WeakPolarHBondContact O-CE2 3.34Å; D418-Y422 PolarHBondContact O-N 2.97Å; L419-Y422 PolarHBondContact O-N 2.8Å; F420-Y422 PolarHBondContact O-N 3.09Å; Y422-R424 PolarHBondContact O-N 2.93Å; Y422-T425 WeakPolarHBondContact O-CB 3.31Å; Y422-T425 PolarHBondContact O-N 2.85Å; Y422-T425 VanDerWaalsContact O-N 3.07Å; Y422-L426 PolarHBondContact O-N 3.01Å
423	S	78.5	Confident	75.7	Confident	51 Å²	51	30.3 Å²	30.3	36%	0.357	16%	0.156	S	C	.	.	H	α-helix	trans	-57.8	-38.1	172.6	72.7	0	0	0	0	111.5	V92 L419 F420 S427	V92-S423 WeakPolarHBondContact CG2-OG 3.47Å; L419-S423 PolarHBondContact O-N 3.27Å; F420-S423 PolarHBondContact O-N 3.21Å; F420-S423 PolarHBondContact O-OG 3.49Å; S423-S427 VanDerWaalsContact O-CB 3.31Å; S423-S427 WeakPolarHBondContact O-CB 3.36Å; S423-S427 PolarHBondContact O-N 2.89Å; S423-S427 VanDerWaalsContact O-N 3.07Å
424	R	82	Confident	77.3	Confident	36 Å²	36	30 Å²	30	14%	0.136	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-45.1	173.6	-169.8	174.5	86.3	169.6	-4.8	112.4	V92 E163 D353 F420 A421 Y422 S427 R428	V92-R424 HydrophobicContact CG1-CB 4.25Å; V92-R424 HydrophobicContact CG1-CG 4.27Å; V92-R424 HydrophobicContact CG2-CB 4.05Å; E163-R424 IonicContact OE1-CZ 3.82Å; E163-R424 IonicContact OE1-NH1 3.96Å; E163-R424 PolarHBondContact OE1-NH1 2.95Å; E163-R424 IonicContact OE2-CZ 3.08Å; E163-R424 IonicContact OE2-NH1 3.22Å; E163-R424 PolarHBondContact OE2-NH1 3.49Å; D353-R424 IonicContact OD1-CZ 2.68Å; D353-R424 IonicContact OD1-NE 4Å; D353-R424 PolarHBondContact OD1-NE 2.9Å; D353-R424 IonicContact OD1-NH2 2.92Å; D353-R424 PolarHBondContact OD1-NH2 3.16Å; D353-R424 IonicContact OD2-CZ 2.86Å; D353-R424 IonicContact OD2-NE 3.28Å; D353-R424 IonicContact OD2-NH2 3.82Å; D353-R424 PolarHBondContact OD2-NH2 2.6Å; F420-R424 PolarHBondContact O-N 2.98Å; A421-R424 WeakPolarHBondContact O-CB 3.36Å; A421-R424 PolarHBondContact O-N 3.28Å; Y422-R424 PolarHBondContact O-N 2.93Å; R424-S427 PolarHBondContact O-N 3.12Å; R424-R428 WeakPolarHBondContact O-CB 3.35Å; R424-R428 WeakPolarHBondContact O-CG 3.46Å; R424-R428 PolarHBondContact O-N 2.72Å
425	T	87.8	Confident	78.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.5	-50.3	179	-56.6	0	0	0	0	110.9	F348 T349 I352 A421 Y422 S427 R428 L429	F348-T425 HydrophobicContact CD1-CG2 4Å; F348-T425 HydrophobicContact CE1-CG2 3.78Å; T349-T425 WeakPolarHBondContact CB-OG1 3.44Å; T349-T425 VanDerWaalsContact CG2-OG1 3.27Å; T349-T425 WeakPolarHBondContact CG2-OG1 3.36Å; T349-T425 PolarHBondContact OG1-OG1 3.03Å; I352-T425 HydrophobicContact CB-CG2 3.97Å; I352-T425 HydrophobicContact CG1-CG2 3.85Å; I352-T425 HydrophobicContact CG2-CG2 4.06Å; A421-T425 PolarHBondContact O-N 2.75Å; A421-T425 PolarHBondContact O-OG1 3.4Å; Y422-T425 WeakPolarHBondContact O-CB 3.31Å; Y422-T425 PolarHBondContact O-N 2.85Å; Y422-T425 VanDerWaalsContact O-N 3.07Å; T425-S427 PolarHBondContact O-N 3.4Å; T425-R428 PolarHBondContact O-N 3.35Å; T425-L429 HydrophobicContact CG2-CD1 4.28Å; T425-L429 WeakPolarHBondContact O-CG 3.31Å; T425-L429 PolarHBondContact O-N 3.43Å
426	L	86.9	Confident	79.8	Confident	41 Å²	41	34 Å²	34	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-47.2	179.4	-71.4	174.4	0	0	0	112	L373 L374 Y422 R428 L429 H430	L373-L426 HydrophobicContact CB-CD2 4.38Å; L373-L426 HydrophobicContact CD2-CD2 4.46Å; L374-L426 HydrophobicContact CB-CD1 4.39Å; L374-L426 HydrophobicContact CD1-CD1 3.92Å; L374-L426 HydrophobicContact CD1-CD2 4.03Å; L374-L426 HydrophobicContact CD1-CG 3.67Å; L374-L426 HydrophobicContact CG-CD1 4.34Å; L374-L426 HydrophobicContact CG-CD2 4.1Å; L374-L426 HydrophobicContact CG-CG 4.23Å; Y422-L426 PolarHBondContact O-N 3.01Å; L426-R428 VanDerWaalsContact C-N 3.3Å; L426-R428 PolarHBondContact O-N 3.48Å; L426-L429 WeakPolarHBondContact O-CB 3.49Å; L426-L429 PolarHBondContact O-N 3.47Å; L426-L429 VanDerWaalsContact O-N 3.12Å; L426-H430 PolarHBondContact O-CD2 2.87Å; L426-H430 VanDerWaalsContact O-CD2 3.22Å; L426-H430 PolarHBondContact O-N 3.19Å
427	S	82.8	Confident	81	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-57.3	-43.1	177.4	-176.2	0	0	0	0	112.2	V92 D231 R233 S423 R424 T425 H430 E431	V92-S427 WeakPolarHBondContact CG1-OG 3.41Å; D231-S427 VanDerWaalsContact CG-OG 3.31Å; D231-S427 PolarHBondContact OD1-OG 3.27Å; D231-S427 WeakPolarHBondContact OD2-CB 3.48Å; D231-S427 PolarHBondContact OD2-OG 3.42Å; R233-S427 WeakPolarHBondContact CB-O 3.24Å; R233-S427 VanDerWaalsContact CD-OG 3.27Å; R233-S427 WeakPolarHBondContact CD-OG 3.43Å; S423-S427 VanDerWaalsContact O-CB 3.31Å; S423-S427 WeakPolarHBondContact O-CB 3.36Å; S423-S427 PolarHBondContact O-N 2.89Å; S423-S427 VanDerWaalsContact O-N 3.07Å; R424-S427 PolarHBondContact O-N 3.12Å; T425-S427 PolarHBondContact O-N 3.4Å; S427-H430 PolarHBondContact O-N 2.9Å; S427-E431 PolarHBondContact O-N 2.8Å
428	R	89.2	Confident	82	Confident	6 Å²	6	29.1 Å²	29.1	2%	0.023	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-45.6	173.8	-75.1	177.8	161.9	-172.9	-18.7	111.7	I352 D353 Y356 D357 R424 T425 L426 H430 E431 M432	I352-R428 HydrophobicContact CG2-CB 3.95Å; D353-R428 VanDerWaalsContact CB-NH1 3.26Å; D353-R428 IonicContact OD1-CZ 2.75Å; D353-R428 IonicContact OD1-NH1 3.34Å; D353-R428 PolarHBondContact OD1-NH1 3.32Å; Y356-R428 HydrophobicContact CD1-CG 4.13Å; Y356-R428 HydrophobicContact CD2-CB 3.75Å; Y356-R428 HydrophobicContact CD2-CG 3.69Å; Y356-R428 HydrophobicContact CE1-CG 4.37Å; Y356-R428 HydrophobicContact CE2-CB 4.23Å; Y356-R428 HydrophobicContact CE2-CG 3.96Å; Y356-R428 HydrophobicContact CG-CB 4.15Å; Y356-R428 HydrophobicContact CG-CG 3.77Å; D357-R428 IonicContact OD1-CZ 3.77Å; D357-R428 IonicContact OD1-NH1 3.69Å; D357-R428 IonicContact OD1-NH2 2.79Å; D357-R428 PolarHBondContact OD1-NH2 3.41Å; R424-R428 WeakPolarHBondContact O-CB 3.35Å; R424-R428 WeakPolarHBondContact O-CG 3.46Å; R424-R428 PolarHBondContact O-N 2.72Å; T425-R428 PolarHBondContact O-N 3.35Å; L426-R428 VanDerWaalsContact C-N 3.3Å; L426-R428 PolarHBondContact O-N 3.48Å; R428-H430 VanDerWaalsContact C-N 3.32Å; R428-H430 PolarHBondContact O-N 2.83Å; R428-E431 PolarHBondContact O-N 2.87Å; R428-M432 WeakPolarHBondContact O-CB 3.41Å; R428-M432 WeakPolarHBondContact O-CG 3.46Å; R428-M432 PolarHBondContact O-N 2.89Å
429	L	90.5	Very high	82.8	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-40.1	177.6	-73.6	174	0	0	0	112.8	F348 I352 L362 I364 I370 L373 T425 L426 M432 R433	F348-L429 HydrophobicContact CE1-CD1 3.98Å; F348-L429 HydrophobicContact CZ-CD1 4.01Å; I352-L429 HydrophobicContact CD1-CD2 3.64Å; I352-L429 HydrophobicContact CD1-CG 4.49Å; I352-L429 HydrophobicContact CG1-CD2 4.08Å; I352-L429 HydrophobicContact CG1-CG 4.42Å; I352-L429 HydrophobicContact CG2-CD2 4.25Å; I352-L429 HydrophobicContact CG2-CG 4.24Å; L362-L429 HydrophobicContact CD2-CD2 3.95Å; I364-L429 HydrophobicContact CD1-CD2 3.59Å; I370-L429 HydrophobicContact CD1-CB 3.92Å; L373-L429 HydrophobicContact CD2-CD1 3.69Å; T425-L429 HydrophobicContact CG2-CD1 4.28Å; T425-L429 WeakPolarHBondContact O-CG 3.31Å; T425-L429 PolarHBondContact O-N 3.43Å; L426-L429 WeakPolarHBondContact O-CB 3.49Å; L426-L429 PolarHBondContact O-N 3.47Å; L426-L429 VanDerWaalsContact O-N 3.12Å; L429-M432 PolarHBondContact O-N 3.15Å; L429-R433 WeakPolarHBondContact O-CG 3.12Å; L429-R433 PolarHBondContact O-N 3.44Å
430	H	86.3	Confident	83.5	Confident	33 Å²	33	34.4 Å²	34.4	15%	0.153	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-46.5	174.9	-83.4	-79.5	0	0	0	111.9	T234 S237 L426 S427 R428 M432 R433	T234-H430 HydrophobicContact CG2-CB 3.9Å; S237-H430 VanDerWaalsContact CB-O 3.3Å; S237-H430 WeakPolarHBondContact CB-O 3.49Å; S237-H430 PolarHBondContact OG-ND1 2.92Å; L426-H430 PolarHBondContact O-CD2 2.87Å; L426-H430 VanDerWaalsContact O-CD2 3.22Å; L426-H430 PolarHBondContact O-N 3.19Å; S427-H430 PolarHBondContact O-N 2.9Å; R428-H430 VanDerWaalsContact C-N 3.32Å; R428-H430 PolarHBondContact O-N 2.83Å; H430-M432 VanDerWaalsContact C-N 3.34Å; H430-M432 PolarHBondContact O-N 2.86Å; H430-R433 PolarHBondContact O-N 3.43Å
431	E	84.3	Confident	84.4	Confident	41 Å²	41	32.2 Å²	32.2	19%	0.192	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-43.5	176	-167.9	172.8	-178.9	0	0	111.8	R233 Y356 S427 R428 R433 S434 Y437	R233-E431 HydrophobicContact CB-CB 3.95Å; R233-E431 WeakPolarHBondContact CD-OE2 3.48Å; R233-E431 HydrophobicContact CG-CB 4.13Å; R233-E431 HydrophobicContact CG-CG 4.45Å; R233-E431 VanDerWaalsContact CG-OE2 3.22Å; R233-E431 WeakPolarHBondContact CG-OE2 3.29Å; R233-E431 IonicContact CZ-OE2 2.64Å; R233-E431 IonicContact NE-OE2 3.85Å; R233-E431 PolarHBondContact NE-OE2 2.95Å; Y356-E431 HydrophobicContact CE2-CB 4.3Å; Y356-E431 HydrophobicContact CE2-CG 4.41Å; Y356-E431 WeakPolarHBondContact CE2-OE2 3.32Å; Y356-E431 VanDerWaalsContact CZ-OE2 3.27Å; Y356-E431 PolarHBondContact OH-OE2 2.82Å; S427-E431 PolarHBondContact O-N 2.8Å; R428-E431 PolarHBondContact O-N 2.87Å; E431-R433 PolarHBondContact O-N 3.41Å; E431-R433 VanDerWaalsContact O-N 3.16Å; E431-S434 VanDerWaalsContact O-CB 3.27Å; E431-S434 WeakPolarHBondContact O-CB 3.41Å; E431-S434 PolarHBondContact O-N 2.77Å; E431-S434 PolarHBondContact O-OG 2.99Å; E431-Y437 HydrophobicContact CG-CD2 4.28Å; E431-Y437 WeakPolarHBondContact O-CB 3.42Å
432	M	89.3	Confident	85.1	Confident	3 Å²	3	31 Å²	31	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-24	-178.5	-70.8	174.6	81.7	0	0	113.6	I352 L355 Y356 T360 L362 R428 L429 H430 S434 Y437	I352-M432 HydrophobicContact CG2-SD 4.27Å; L355-M432 HydrophobicContact CB-CE 3.99Å; Y356-M432 HydrophobicContact CD2-CG 3.92Å; Y356-M432 HydrophobicContact CD2-SD 4.2Å; T360-M432 WeakPolarHBondContact O-CE 3.42Å; L362-M432 HydrophobicContact CB-CE 3.58Å; L362-M432 HydrophobicContact CD2-CE 4.1Å; R428-M432 WeakPolarHBondContact O-CB 3.41Å; R428-M432 WeakPolarHBondContact O-CG 3.46Å; R428-M432 PolarHBondContact O-N 2.89Å; L429-M432 PolarHBondContact O-N 3.15Å; H430-M432 VanDerWaalsContact C-N 3.34Å; H430-M432 PolarHBondContact O-N 2.86Å; M432-S434 VanDerWaalsContact C-N 3.35Å; M432-Y437 HydrophobicContact CB-CD1 4.14Å; M432-Y437 HydrophobicContact CB-CE1 4.03Å; M432-Y437 HydrophobicContact CE-CE1 4.36Å; M432-Y437 HydrophobicContact CG-CD1 4.21Å; M432-Y437 HydrophobicContact CG-CE1 3.73Å; M432-Y437 HydrophobicContact CG-CE2 4.07Å
433	R	86.9	Confident	85.3	Confident	64 Å²	64	34.3 Å²	34.3	24%	0.242	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.5	174.8	-70.1	172.2	62.6	-170.1	-0	113.7	L248 Y249 L429 H430 E431	L248-R433 HydrophobicContact CB-CG 4.4Å; Y249-R433 VanDerWaalsContact CB-NE 3.31Å; L429-R433 WeakPolarHBondContact O-CG 3.12Å; L429-R433 PolarHBondContact O-N 3.44Å; H430-R433 PolarHBondContact O-N 3.43Å; E431-R433 PolarHBondContact O-N 3.41Å; E431-R433 VanDerWaalsContact O-N 3.16Å
434	S	82.5	Confident	85.5	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.007	19%	0.186	C	C	.	.	S	Bend	trans	-74.8	146.1	179.4	72.9	0	0	0	0	111.6	S240 E431 M432 A436 Y437 W438	S240-S434 WeakPolarHBondContact OG-CB 3.36Å; E431-S434 VanDerWaalsContact O-CB 3.27Å; E431-S434 WeakPolarHBondContact O-CB 3.41Å; E431-S434 PolarHBondContact O-N 2.77Å; E431-S434 PolarHBondContact O-OG 2.99Å; M432-S434 VanDerWaalsContact C-N 3.35Å; S434-A436 PolarHBondContact O-N 2.87Å; S434-Y437 PolarHBondContact O-N 3.27Å; S434-Y437 WeakPolarHBondContact OG-CB 3.39Å; S434-Y437 PolarHBondContact OG-N 3.08Å; S434-Y437 VanDerWaalsContact OG-N 3.13Å; S434-W438 PolarHBondContact O-N 3.26Å
435	K	80.1	Confident	85.4	Confident	85 Å²	85	37 Å²	37	37%	0.37	19%	0.187	S	C	.	.	H	α-helix	trans	-56.7	-40.1	172.8	-171.1	179.3	-164.7	153.4	0	112	S244 Y437 W438 D439	S244-K435 WeakPolarHBondContact OG-CD 3.13Å; S244-K435 WeakPolarHBondContact OG-CE 3.41Å; S244-K435 PolarHBondContact OG-NZ 3.49Å; K435-Y437 PolarHBondContact O-N 3.34Å; K435-W438 WeakPolarHBondContact O-CB 3.48Å; K435-W438 PolarHBondContact O-N 2.95Å; K435-D439 WeakPolarHBondContact O-CB 3.24Å; K435-D439 VanDerWaalsContact O-CG 3.27Å; K435-D439 PolarHBondContact O-N 3.48Å
436	A	79.9	Confident	84.1	Confident	48 Å²	48	43 Å²	43	40%	0.397	21%	0.213	S	C	.	.	H	α-helix	trans	-59.4	-45.2	178.6	0	0	0	0	0	112.5	I236 S434 Q440	I236-A436 HydrophobicContact CG2-CB 4.5Å; S434-A436 PolarHBondContact O-N 2.87Å; A436-Q440 WeakPolarHBondContact O-CG 3.31Å; A436-Q440 PolarHBondContact O-N 3.42Å
437	Y	84.6	Confident	82.4	Confident	15 Å²	15	46.4 Å²	46.4	6%	0.059	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-45.6	174.6	-177.6	-85.8	0	0	0	111	L355 Y356 H359 T360 E431 M432 S434 K435 D439 Q440 S441	L355-Y437 PolarHBondContact O-OH 2.86Å; Y356-Y437 HydrophobicContact CD2-CE2 4.1Å; Y356-Y437 HydrophobicContact CE2-CE2 4.15Å; H359-Y437 WeakPolarHBondContact CA-OH 3.26Å; T360-Y437 PolarHBondContact O-OH 3.4Å; E431-Y437 HydrophobicContact CG-CD2 4.28Å; E431-Y437 WeakPolarHBondContact O-CB 3.42Å; M432-Y437 HydrophobicContact CB-CD1 4.14Å; M432-Y437 HydrophobicContact CB-CE1 4.03Å; M432-Y437 HydrophobicContact CE-CE1 4.36Å; M432-Y437 HydrophobicContact CG-CD1 4.21Å; M432-Y437 HydrophobicContact CG-CE1 3.73Å; M432-Y437 HydrophobicContact CG-CE2 4.07Å; S434-Y437 PolarHBondContact O-N 3.27Å; S434-Y437 WeakPolarHBondContact OG-CB 3.39Å; S434-Y437 PolarHBondContact OG-N 3.08Å; S434-Y437 VanDerWaalsContact OG-N 3.13Å; K435-Y437 PolarHBondContact O-N 3.34Å; Y437-D439 VanDerWaalsContact C-N 3.35Å; Y437-D439 PolarHBondContact O-N 2.92Å; Y437-Q440 PolarHBondContact O-N 3.33Å; Y437-S441 WeakPolarHBondContact CD1-OG 2.98Å; Y437-S441 WeakPolarHBondContact CE1-OG 3.09Å; Y437-S441 WeakPolarHBondContact O-CB 3.47Å; Y437-S441 PolarHBondContact O-N 3.45Å; Y437-S441 VanDerWaalsContact O-N 3.08Å; Y437-S441 PolarHBondContact O-OG 2.9Å
438	W	86.6	Confident	80.4	Confident	17 Å²	17	50 Å²	50	6%	0.064	27%	0.273	C	S	.	.	H	α-helix	trans	-54.9	-49.1	-179.9	-176.4	-94.9	0	0	0	112	L248 L270 R361 I363 S434 K435 Q440 S441	L248-W438 HydrophobicContact CD1-CD2 4.16Å; L248-W438 HydrophobicContact CD1-CE3 3.58Å; L248-W438 HydrophobicContact CD1-CZ3 4.15Å; L248-W438 HydrophobicContact CD2-CD2 4.25Å; L248-W438 HydrophobicContact CD2-CE3 3.65Å; L248-W438 HydrophobicContact CD2-CH2 3.85Å; L248-W438 HydrophobicContact CD2-CZ2 4.42Å; L248-W438 HydrophobicContact CD2-CZ3 3.42Å; L248-W438 VanDerWaalsContact CD2-CZ3 3.42Å; L248-W438 HydrophobicContact CG-CE3 4.28Å; L248-W438 HydrophobicContact CG-CZ3 4.42Å; L270-W438 HydrophobicContact CD1-CH2 4.14Å; L270-W438 HydrophobicContact CD1-CZ2 4.5Å; L270-W438 HydrophobicContact CD2-CH2 4.47Å; L270-W438 HydrophobicContact CD2-CZ2 4.03Å; R361-W438 HydrophobicContact CB-CE3 4.03Å; R361-W438 HydrophobicContact CB-CH2 4.2Å; R361-W438 HydrophobicContact CB-CZ3 3.66Å; R361-W438 HydrophobicContact CG-CD2 4.14Å; R361-W438 HydrophobicContact CG-CE3 3.71Å; R361-W438 HydrophobicContact CG-CH2 4.34Å; R361-W438 HydrophobicContact CG-CZ3 3.83Å; R361-W438 PolarHBondContact NE-O 3.35Å; R361-W438 PolarHBondContact NH2-O 2.72Å; I363-W438 HydrophobicContact CD1-CH2 3.92Å; I363-W438 HydrophobicContact CD1-CZ3 4.35Å; I363-W438 HydrophobicContact CG1-CH2 4.13Å; I363-W438 HydrophobicContact CG1-CZ3 4.05Å; S434-W438 PolarHBondContact O-N 3.26Å; K435-W438 WeakPolarHBondContact O-CB 3.48Å; K435-W438 PolarHBondContact O-N 2.95Å; W438-Q440 VanDerWaalsContact C-N 3.28Å; W438-Q440 PolarHBondContact O-N 2.83Å; W438-S441 PolarHBondContact O-N 2.91Å
439	D	85	Confident	80	Confident	80 Å²	80	52.3 Å²	52.3	43%	0.428	29%	0.286	S	S	.	.	H	α-helix	trans	-65	-30.4	-176.3	-69.4	-17.9	0	0	0	113	K435 Y437 N444	K435-D439 WeakPolarHBondContact O-CB 3.24Å; K435-D439 VanDerWaalsContact O-CG 3.27Å; K435-D439 PolarHBondContact O-N 3.48Å; Y437-D439 VanDerWaalsContact C-N 3.35Å; Y437-D439 PolarHBondContact O-N 2.92Å; D439-N444 WeakPolarHBondContact O-CB 3.33Å; D439-N444 PolarHBondContact O-ND2 2.66Å
440	Q	83.9	Confident	79.4	Confident	123 Å²	123	54.8 Å²	54.8	58%	0.575	30%	0.3	S	S	*	.	H	α-helix	trans	-93.6	-3.6	180	-62.1	178.6	28.3	0	0	114	A436 Y437 W438	A436-Q440 WeakPolarHBondContact O-CG 3.31Å; A436-Q440 PolarHBondContact O-N 3.42Å; Y437-Q440 PolarHBondContact O-N 3.33Å; W438-Q440 VanDerWaalsContact C-N 3.28Å; W438-Q440 PolarHBondContact O-N 2.83Å
441	S	88.6	Confident	79.1	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-112.7	176.9	-174.1	-63.2	0	0	0	0	112.4	H359 R361 Y437 W438 N444	H359-S441 WeakPolarHBondContact O-CA 3.36Å; H359-S441 VanDerWaalsContact O-CB 3.23Å; H359-S441 WeakPolarHBondContact O-CB 3.46Å; R361-S441 PolarHBondContact NE-O 3.17Å; R361-S441 PolarHBondContact NH2-O 3.38Å; Y437-S441 WeakPolarHBondContact CD1-OG 2.98Å; Y437-S441 WeakPolarHBondContact CE1-OG 3.09Å; Y437-S441 WeakPolarHBondContact O-CB 3.47Å; Y437-S441 PolarHBondContact O-N 3.45Å; Y437-S441 VanDerWaalsContact O-N 3.08Å; Y437-S441 PolarHBondContact O-OG 2.9Å; W438-S441 PolarHBondContact O-N 2.91Å; S441-N444 PolarHBondContact O-N 2.95Å
442	G	89.8	Confident	78.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	69.2	-123.6	176.2	0	0	0	0	0	112.3	H327 H359 N444 R445	H327-G442 VanDerWaalsContact O-CA 3.27Å; H327-G442 WeakPolarHBondContact O-CA 3.49Å; H359-G442 PolarHBondContact O-N 3.12Å; G442-N444 PolarHBondContact O-N 2.96Å; G442-R445 VanDerWaalsContact O-CB 3.29Å; G442-R445 WeakPolarHBondContact O-CB 3.5Å; G442-R445 VanDerWaalsContact O-CD 3.31Å; G442-R445 WeakPolarHBondContact O-CD 3.34Å; G442-R445 WeakPolarHBondContact O-CG 3.45Å; G442-R445 PolarHBondContact O-N 3.46Å; G442-R445 VanDerWaalsContact O-N 3.09Å
443	P	85.9	Confident	78.1	Confident	70 Å²	70	60.3 Å²	60.3	46%	0.455	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-64.1	-25	179.1	27.8	-33.7	0	0	0	112.4	R445	P443-R445 VanDerWaalsContact C-N 3.32Å
444	N	82.9	Confident	77.5	Confident	100 Å²	100	60 Å²	60	54%	0.535	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-87.7	0	178.1	-63.8	-23.9	0	0	0	113.2	D439 S441 G442 K446	D439-N444 WeakPolarHBondContact O-CB 3.33Å; D439-N444 PolarHBondContact O-ND2 2.66Å; S441-N444 PolarHBondContact O-N 2.95Å; G442-N444 PolarHBondContact O-N 2.96Å; N444-K446 PolarHBondContact O-N 3Å
445	R	79.7	Confident	77.1	Confident	44 Å²	44	64.2 Å²	64.2	17%	0.166	36%	0.364	C	S	.	.	S	Bend	trans	-60.6	131.9	179.6	75.9	-169.1	175.6	173.4	-4.5	109	A323 K324 T358 H359 T360 G442 P443 V447	A323-R445 PolarHBondContact O-NH1 3.24Å; A323-R445 PolarHBondContact O-NH2 2.81Å; A323-R445 VanDerWaalsContact O-NH2 3.17Å; K324-R445 PolarHBondContact O-NH2 2.87Å; K324-R445 VanDerWaalsContact O-NH2 3.13Å; T358-R445 WeakPolarHBondContact O-CD 3.38Å; H359-R445 HydrophobicContact CB-CB 3.92Å; T360-R445 PolarHBondContact OG1-NH1 2.93Å; G442-R445 VanDerWaalsContact O-CB 3.29Å; G442-R445 WeakPolarHBondContact O-CB 3.5Å; G442-R445 VanDerWaalsContact O-CD 3.31Å; G442-R445 WeakPolarHBondContact O-CD 3.34Å; G442-R445 WeakPolarHBondContact O-CG 3.45Å; G442-R445 PolarHBondContact O-N 3.46Å; G442-R445 VanDerWaalsContact O-N 3.09Å; P443-R445 VanDerWaalsContact C-N 3.32Å; R445-V447 VanDerWaalsContact C-N 3.32Å; R445-V447 HydrophobicContact CG-CG2 3.77Å; R445-V447 PolarHBondContact O-N 3.02Å
446	K	60.7	Low	76.9	Confident	125 Å²	125	62.6 Å²	62.6	54%	0.543	36%	0.363	S	S	.	.			trans	-71.4	91.2	174.7	-66.4	-175.3	179.9	177.4	0	108.2	P21 N444 G448	P21-K446 PolarHBondContact O-NZ 3.28Å; N444-K446 PolarHBondContact O-N 3Å; K446-G448 PolarHBondContact O-N 2.7Å; K446-G448 VanDerWaalsContact O-N 3.1Å
447	V	50.3	Low	76.7	Confident	113 Å²	113	63.8 Å²	63.8	69%	0.685	36%	0.36	S	S	*	.			trans	-69	106.8	176.6	-171.1	0	0	0	0	108	R445	R445-V447 VanDerWaalsContact C-N 3.32Å; R445-V447 HydrophobicContact CG-CG2 3.77Å; R445-V447 PolarHBondContact O-N 3.02Å
448	G	42	Very low	75.9	Confident	79 Å²	79	68.3 Å²	68.3	81%	0.814	39%	0.388	S	S	*	.			trans	-90.6	0	170.1	0	0	0	0	0	112	K16 S17 K446	K16-G448 CarbonylContact C-O 3.54Å; S17-G448 WeakPolarHBondContact CA-O 3.36Å; S17-G448 WeakPolarHBondContact CB-O 3.48Å; S17-G448 PolarHBondContact OG-O 3.13Å; K446-G448 PolarHBondContact O-N 2.7Å; K446-G448 VanDerWaalsContact O-N 3.1Å

Retrieved 448 of 448 residues in 400 ms (Link to these results)

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