C4QKW6_SCHMA Loading...

Subfamily M14A unassigned peptidase (M14 family)

Involved in the digestion of the blood meal.

AlphaFold DB , UniProt , Accession C4QKW6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 430 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	42.2	Very low	248 Å²	248	154.5 Å²	154.5	100%	1.222	79%	0.788	S	S	*	*				0	105.5	0	-148.4	164.3	81.9	0	0	107.4
2	K	33.5	Very low	43.2	Very low	197 Å²	197	147.8 Å²	147.8	86%	0.857	77%	0.766	S	S	*	*			trans	-81.7	145.7	173.2	-73.8	177.7	171.8	177.1	0	108.3
3	I	36.6	Very low	43.8	Very low	149 Å²	149	139.1 Å²	139.1	76%	0.764	73%	0.734	S	S	*	*				154.5	109.8	124.5	-78	160.1	0	0	0	110.2
4	F	35.3	Very low	44.8	Very low	181 Å²	181	135.1 Å²	135.1	79%	0.794	71%	0.712	S	S	*	*			trans	38.1	100.9	142.7	-67	-92.1	0	0	0	119.6	I6	F4-I6 PolarHBondContact O-N 3.35Å
5	L	37.9	Very low	45.7	Very low	170 Å²	170	133.3 Å²	133.3	89%	0.89	70%	0.702	S	S	*	*			trans	-74.1	107.4	147	-103.4	99.8	0	0	0	108.5	L7	L5-L7 PolarHBondContact O-N 3.11Å
6	I	39.4	Very low	46.2	Very low	139 Å²	139	133 Å²	133	71%	0.713	70%	0.7	S	S	*	*			trans	-74.5	107.6	165.7	-64	171.2	0	0	0	106.6	F4 N8	F4-I6 PolarHBondContact O-N 3.35Å; I6-N8 PolarHBondContact O-N 3.2Å; I6-N8 VanDerWaalsContact O-N 3.12Å
7	L	43.9	Very low	46.8	Very low	153 Å²	153	131.7 Å²	131.7	80%	0.801	69%	0.693	S	S	*	*			trans	-68	104.7	167.3	-87.9	153.8	0	0	0	108	L5 V9	L5-L7 PolarHBondContact O-N 3.11Å; L7-V9 VanDerWaalsContact C-N 3.27Å; L7-V9 PolarHBondContact O-N 3.5Å
8	N	43.1	Very low	47.2	Very low	157 Å²	157	129.8 Å²	129.8	84%	0.84	68%	0.683	S	S	*	*			trans	-62.1	86.9	166.7	-88.2	-35.1	0	0	0	109.3	I6 S10	I6-N8 PolarHBondContact O-N 3.2Å; I6-N8 VanDerWaalsContact O-N 3.12Å; N8-S10 PolarHBondContact O-N 3.23Å
9	V	46.4	Very low	47.5	Very low	102 Å²	102	125.7 Å²	125.7	62%	0.618	67%	0.666	S	S	*	*			trans	-75.5	110.3	162.9	-178.6	0	0	0	0	106.2	L7 I14	L7-V9 VanDerWaalsContact C-N 3.27Å; L7-V9 PolarHBondContact O-N 3.5Å; V9-I14 HydrophobicContact CG1-CD1 4.36Å; V9-I14 HydrophobicContact CG1-CG1 4.09Å
10	S	54.8	Low	47.6	Very low	71 Å²	71	122.1 Å²	122.1	50%	0.497	65%	0.651	S	S	.	*			trans	-61.1	138.7	179.6	64.4	0	0	0	0	110.4	N8 S12 G13	N8-S10 PolarHBondContact O-N 3.23Å; S10-S12 PolarHBondContact O-N 3.43Å; S10-S12 PolarHBondContact OG-OG 3.41Å; S10-S12 VanDerWaalsContact OG-OG 3.13Å; S10-G13 PolarHBondContact O-N 2.86Å
11	I	58	Low	47.7	Very low	132 Å²	132	120.1 Å²	120.1	68%	0.677	64%	0.64	S	S	*	*	H	α-helix	trans	-53.1	-30.1	179.3	-66.7	168.8	0	0	0	111.7	G13 I14 I15	I11-G13 VanDerWaalsContact C-N 3.34Å; I11-G13 PolarHBondContact O-N 3.33Å; I11-I14 PolarHBondContact O-N 3.15Å; I11-I15 HydrophobicContact CG2-CD1 4.1Å; I11-I15 PolarHBondContact O-N 2.99Å
12	S	53.9	Low	48.1	Very low	75 Å²	75	115 Å²	115	52%	0.524	61%	0.613	S	S	.	*	H	α-helix	trans	-64	-32.5	175.8	37.6	0	0	0	0	114	S10	S10-S12 PolarHBondContact O-N 3.43Å; S10-S12 PolarHBondContact OG-OG 3.41Å; S10-S12 VanDerWaalsContact OG-OG 3.13Å
13	G	51.6	Low	48.7	Very low	34 Å²	34	111.8 Å²	111.8	35%	0.351	60%	0.604	S	S	.	*	H	α-helix	trans	-71.8	-29.6	174.7	0	0	0	0	0	113.2	S10 I11 L17	S10-G13 PolarHBondContact O-N 2.86Å; I11-G13 VanDerWaalsContact C-N 3.34Å; I11-G13 PolarHBondContact O-N 3.33Å; G13-L17 PolarHBondContact O-N 3.29Å
14	I	57.4	Low	49.1	Very low	83 Å²	83	110.6 Å²	110.6	43%	0.426	60%	0.598	S	S	.	*	H	α-helix	trans	-74.7	-38.7	179.9	-62.4	174.2	0	0	0	110.9	V9 I11 L17 L18	V9-I14 HydrophobicContact CG1-CD1 4.36Å; V9-I14 HydrophobicContact CG1-CG1 4.09Å; I11-I14 PolarHBondContact O-N 3.15Å; I14-L17 PolarHBondContact O-N 3.48Å; I14-L18 HydrophobicContact CG2-CD1 3.94Å; I14-L18 HydrophobicContact CG2-CG 4.47Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 3.48Å
15	I	58.4	Low	49.4	Very low	108 Å²	108	107.6 Å²	107.6	55%	0.554	59%	0.589	S	S	*	*	H	α-helix	trans	-67.3	-38.5	-179.9	-65.4	167.5	0	0	0	111.6	I11 L17 L18 S19	I11-I15 HydrophobicContact CG2-CD1 4.1Å; I11-I15 PolarHBondContact O-N 2.99Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-L18 PolarHBondContact O-N 3.03Å; I15-S19 PolarHBondContact O-N 3.48Å; I15-S19 PolarHBondContact O-OG 3.39Å
16	L	54.1	Low	49.6	Very low	129 Å²	129	105.9 Å²	105.9	68%	0.675	58%	0.58	S	S	*	*	H	α-helix	trans	-68.3	-30.9	174.5	-101	146.2	0	0	0	112.9	S19 S20	L16-S19 PolarHBondContact O-OG 2.9Å; L16-S20 PolarHBondContact O-N 2.9Å; L16-S20 PolarHBondContact O-OG 3.37Å
17	L	55.8	Low	49.5	Very low	111 Å²	111	106.3 Å²	106.3	58%	0.581	58%	0.584	S	S	*	*	H	α-helix	trans	-71.4	-37.3	172.7	-132.6	91	0	0	0	111.5	G13 I14 I15 S20 I21	G13-L17 PolarHBondContact O-N 3.29Å; I14-L17 PolarHBondContact O-N 3.48Å; I15-L17 VanDerWaalsContact C-N 3.33Å; L17-S20 WeakPolarHBondContact CA-OG 3.44Å; L17-S20 PolarHBondContact O-OG 3.1Å; L17-I21 HydrophobicContact CD2-CD1 4.42Å; L17-I21 WeakPolarHBondContact O-CB 3.36Å; L17-I21 WeakPolarHBondContact O-CD1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.27Å; L17-I21 PolarHBondContact O-N 2.85Å
18	L	54.5	Low	49.4	Very low	97 Å²	97	103.6 Å²	103.6	51%	0.508	57%	0.573	S	S	.	*	H	α-helix	trans	-71.3	-39.5	179.7	-73.3	167	0	0	0	112.5	I14 I15 S20 I21 E22	I14-L18 HydrophobicContact CG2-CD1 3.94Å; I14-L18 HydrophobicContact CG2-CG 4.47Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 3.48Å; I15-L18 PolarHBondContact O-N 3.03Å; L18-S20 VanDerWaalsContact C-N 3.35Å; L18-S20 PolarHBondContact O-N 3.4Å; L18-I21 PolarHBondContact O-N 2.82Å; L18-E22 PolarHBondContact O-N 3.01Å
19	S	52.3	Low	49.4	Very low	53 Å²	53	103.2 Å²	103.2	37%	0.371	57%	0.57	S	S	.	*	H	α-helix	trans	-69.2	-32.6	176.5	62	0	0	0	0	112.8	I15 L16 I23	I15-S19 PolarHBondContact O-N 3.48Å; I15-S19 PolarHBondContact O-OG 3.39Å; L16-S19 PolarHBondContact O-OG 2.9Å; S19-I23 VanDerWaalsContact O-CG1 3.29Å; S19-I23 WeakPolarHBondContact O-CG1 3.46Å; S19-I23 PolarHBondContact O-N 3.42Å; S19-I23 VanDerWaalsContact O-N 3.1Å
20	S	50.3	Low	49.3	Very low	52 Å²	52	103.6 Å²	103.6	36%	0.364	57%	0.573	S	S	.	*	H	α-helix	trans	-71.4	-32	171.6	50	0	0	0	0	112.5	L16 L17 L18 I24	L16-S20 PolarHBondContact O-N 2.9Å; L16-S20 PolarHBondContact O-OG 3.37Å; L17-S20 WeakPolarHBondContact CA-OG 3.44Å; L17-S20 PolarHBondContact O-OG 3.1Å; L18-S20 VanDerWaalsContact C-N 3.35Å; L18-S20 PolarHBondContact O-N 3.4Å; S20-I24 WeakPolarHBondContact O-CB 3.45Å; S20-I24 WeakPolarHBondContact O-CD1 3.43Å; S20-I24 WeakPolarHBondContact O-CG1 3.3Å; S20-I24 PolarHBondContact O-N 2.94Å; S20-I24 VanDerWaalsContact O-N 3.1Å
21	I	48.2	Very low	49.3	Very low	82 Å²	82	102.8 Å²	102.8	42%	0.421	57%	0.57	S	S	.	*	H	α-helix	trans	-70.7	-38.6	173.4	-70	164.7	0	0	0	111.6	L17 L18 I24 L25	L17-I21 HydrophobicContact CD2-CD1 4.42Å; L17-I21 WeakPolarHBondContact O-CB 3.36Å; L17-I21 WeakPolarHBondContact O-CD1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.27Å; L17-I21 PolarHBondContact O-N 2.85Å; L18-I21 PolarHBondContact O-N 2.82Å; I21-I24 PolarHBondContact O-N 3.37Å; I21-L25 HydrophobicContact CG2-CD1 3.86Å; I21-L25 WeakPolarHBondContact O-CD1 3.25Å; I21-L25 PolarHBondContact O-N 3.1Å
22	E	45.1	Very low	50	Low	140 Å²	140	101.2 Å²	101.2	65%	0.654	57%	0.571	S	S	*	*	H	α-helix	trans	-67.9	-37.7	175.8	-77.6	-176.5	170.2	0	0	112.5	L18 I24 L25	L18-E22 PolarHBondContact O-N 3.01Å; E22-I24 VanDerWaalsContact C-N 3.32Å; E22-I24 PolarHBondContact O-N 3.19Å; E22-L25 PolarHBondContact O-N 2.92Å
23	I	46	Very low	51.5	Low	129 Å²	129	101.7 Å²	101.7	66%	0.662	57%	0.565	S	S	*	*	H	α-helix	trans	-70.6	-29.5	175.9	-67.5	169.2	0	0	0	111.6	S19	S19-I23 VanDerWaalsContact O-CG1 3.29Å; S19-I23 WeakPolarHBondContact O-CG1 3.46Å; S19-I23 PolarHBondContact O-N 3.42Å; S19-I23 VanDerWaalsContact O-N 3.1Å
24	I	45	Very low	53.3	Low	125 Å²	125	102.7 Å²	102.7	64%	0.641	56%	0.564	S	S	*	*	H	α-helix	trans	-78.7	-23.9	176.2	-68.7	168	0	0	0	112	S20 I21 E22	S20-I24 WeakPolarHBondContact O-CB 3.45Å; S20-I24 WeakPolarHBondContact O-CD1 3.43Å; S20-I24 WeakPolarHBondContact O-CG1 3.3Å; S20-I24 PolarHBondContact O-N 2.94Å; S20-I24 VanDerWaalsContact O-N 3.1Å; I21-I24 PolarHBondContact O-N 3.37Å; E22-I24 VanDerWaalsContact C-N 3.32Å; E22-I24 PolarHBondContact O-N 3.19Å
25	L	40.6	Very low	55	Low	117 Å²	117	102.7 Å²	102.7	61%	0.613	56%	0.562	S	S	*	*	H	α-helix	trans	-77.3	-21.9	179.2	-106.2	96	0	0	0	114.7	I21 E22 N27	I21-L25 HydrophobicContact CG2-CD1 3.86Å; I21-L25 WeakPolarHBondContact O-CD1 3.25Å; I21-L25 PolarHBondContact O-N 3.1Å; E22-L25 PolarHBondContact O-N 2.92Å; L25-N27 VanDerWaalsContact C-N 3.34Å; L25-N27 PolarHBondContact O-N 3Å
26	I	42.3	Very low	56.7	Low	134 Å²	134	97.9 Å²	97.9	69%	0.687	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-12.9	-173.3	-65.8	173.4	0	0	0	113.6
27	N	37.8	Very low	58.6	Low	148 Å²	148	98.6 Å²	98.6	79%	0.791	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	11.8	177.9	-82.9	-22.6	0	0	0	115.7	L25 I29	L25-N27 VanDerWaalsContact C-N 3.34Å; L25-N27 PolarHBondContact O-N 3Å; N27-I29 VanDerWaalsContact C-N 3.31Å; N27-I29 PolarHBondContact O-N 3.4Å
28	T	41.7	Very low	60.4	Low	96 Å²	96	98.1 Å²	98.1	59%	0.589	53%	0.529	S	S	*	.			trans	-96.2	64.4	162.1	60.9	0	0	0	0	110.3	T30	T28-T30 PolarHBondContact O-N 3.03Å
29	I	42.5	Very low	62.5	Low	150 Å²	150	95.4 Å²	95.4	77%	0.769	51%	0.513	S	S	*	.			trans	-59.7	87.7	145.1	-60.8	173.6	0	0	0	104.3	N27 A31	N27-I29 VanDerWaalsContact C-N 3.31Å; N27-I29 PolarHBondContact O-N 3.4Å; I29-A31 PolarHBondContact O-N 2.61Å
30	T	45.7	Very low	64.7	Low	110 Å²	110	95 Å²	95	68%	0.675	50%	0.504	S	S	*	.			trans	-61.3	94.7	166.9	46.8	0	0	0	0	104.3	T28 S32	T28-T30 PolarHBondContact O-N 3.03Å; T30-S32 PolarHBondContact O-N 3.37Å
31	A	54.4	Low	67	Low	53 Å²	53	92.5 Å²	92.5	44%	0.438	49%	0.487	S	S	.	.			trans	-50.9	110.7	169.7	0	0	0	0	0	105.7	I29 K241	I29-A31 PolarHBondContact O-N 2.61Å; A31-K241 HydrophobicContact CB-CD 4.48Å; A31-K241 PolarHBondContact O-NZ 2.86Å
32	S	72.1	Confident	69.3	Low	100 Å²	100	88.6 Å²	88.6	70%	0.699	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-59.4	145.2	-174.2	47.7	0	0	0	0	108.1	T30 V34	T30-S32 PolarHBondContact O-N 3.37Å; S32-V34 PolarHBondContact O-N 3.23Å
33	H	85.3	Confident	71.7	Confident	85 Å²	85	83.9 Å²	83.9	39%	0.394	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-57.2	137.2	170.5	-87.7	-86.9	0	0	0	109.1	H35 T240	H33-H35 PolarHBondContact O-CD2 3.27Å; H33-H35 PolarHBondContact O-N 2.83Å; H33-H35 PolarHBondContact O-NE2 3.38Å; H33-T240 PolarHBondContact CE1-O 2.9Å; H33-T240 PolarHBondContact ND1-O 3.38Å; H33-T240 PolarHBondContact NE2-O 2.78Å
34	V	90.3	Very high	74	Confident	55 Å²	55	77.8 Å²	77.8	33%	0.333	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-69.6	120.9	169.5	177.1	0	0	0	0	107.4	S32 Y36 K241 Y242	S32-V34 PolarHBondContact O-N 3.23Å; V34-Y36 HydrophobicContact CG1-CE2 4.19Å; V34-K241 PolarHBondContact N-O 3.49Å; V34-Y242 HydrophobicContact CB-CD1 4.36Å; V34-Y242 HydrophobicContact CB-CD2 4.49Å; V34-Y242 HydrophobicContact CB-CG 4.08Å; V34-Y242 HydrophobicContact CG1-CD1 4.47Å; V34-Y242 HydrophobicContact CG1-CD2 4.43Å; V34-Y242 HydrophobicContact CG1-CG 4.37Å; V34-Y242 HydrophobicContact CG2-CD1 3.7Å; V34-Y242 HydrophobicContact CG2-CE1 4.39Å; V34-Y242 HydrophobicContact CG2-CG 3.82Å
35	H	92.8	Very high	76.2	Confident	83 Å²	83	79.3 Å²	79.3	38%	0.384	41%	0.41	S	S	.	.			trans	-104.6	143	180	-66.9	-77.5	0	0	0	110.4	H33 Y37	H33-H35 PolarHBondContact O-CD2 3.27Å; H33-H35 PolarHBondContact O-N 2.83Å; H33-H35 PolarHBondContact O-NE2 3.38Å; H35-Y37 HydrophobicContact CB-CD2 3.56Å; H35-Y37 HydrophobicContact CB-CE2 3.39Å; H35-Y37 HydrophobicContact CB-CG 4.28Å; H35-Y37 PolarHBondContact CE1-OH 2.92Å; H35-Y37 AromaticContact CG-CE2 3.44Å; H35-Y37 VanDerWaalsContact CG-CE2 3.44Å; H35-Y37 AromaticContact CG-CZ 3.76Å; H35-Y37 AromaticContact ND1-CE2 3.74Å; H35-Y37 AromaticContact ND1-CZ 3.52Å; H35-Y37 PolarHBondContact ND1-OH 2.88Å
36	Y	95.1	Very high	78.6	Confident	7 Å²	7	73.9 Å²	73.9	3%	0.027	38%	0.381	C	S	.	.			trans	-111.1	36.6	-179.5	-65	-86.2	0	0	0	111	V34 N38 Y39 L109 Q110 I113 Y242 L244	V34-Y36 HydrophobicContact CG1-CE2 4.19Å; Y36-N38 PolarHBondContact O-N 3.4Å; Y36-N38 VanDerWaalsContact O-N 3.11Å; Y36-Y39 VanDerWaalsContact C-CD2 3.42Å; Y36-Y39 VanDerWaalsContact CA-CD2 3.5Å; Y36-Y39 AromaticContact CD1-CD1 3.77Å; Y36-Y39 HydrophobicContact CD1-CD1 3.77Å; Y36-Y39 HydrophobicContact CD1-CD2 4.47Å; Y36-Y39 HydrophobicContact CD1-CE1 4.12Å; Y36-Y39 AromaticContact CD1-CG 3.96Å; Y36-Y39 HydrophobicContact CD1-CG 3.96Å; Y36-Y39 WeakPolarHBondContact O-CB 3.45Å; Y36-Y39 PolarHBondContact O-N 2.8Å; Y36-L109 HydrophobicContact CD1-CD2 3.57Å; Y36-L109 HydrophobicContact CD1-CG 4.24Å; Y36-L109 HydrophobicContact CE1-CD2 4.17Å; Y36-L109 HydrophobicContact CG-CD2 3.99Å; Y36-L109 HydrophobicContact CG-CG 4.14Å; Y36-Q110 WeakPolarHBondContact O-CB 3.37Å; Y36-Q110 PolarHBondContact O-N 3.36Å; Y36-I113 HydrophobicContact CD2-CD1 3.25Å; Y36-I113 HydrophobicContact CE2-CD1 3.58Å; Y36-I113 HydrophobicContact CG-CD1 3.92Å; Y36-Y242 WeakPolarHBondContact OH-CD2 3.35Å; Y36-Y242 WeakPolarHBondContact OH-CE2 3.32Å; Y36-L244 HydrophobicContact CE1-CD1 3.81Å; Y36-L244 HydrophobicContact CE1-CG 4.49Å; Y36-L244 WeakPolarHBondContact OH-CB 3.28Å; Y36-L244 PolarHBondContact OH-N 3.2Å
37	Y	93.5	Very high	80.7	Confident	144 Å²	144	71.5 Å²	71.5	57%	0.565	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	121.7	-176.6	-65.2	-57.1	0	0	0	109.8	H35 Y39 Q110	H35-Y37 HydrophobicContact CB-CD2 3.56Å; H35-Y37 HydrophobicContact CB-CE2 3.39Å; H35-Y37 HydrophobicContact CB-CG 4.28Å; H35-Y37 PolarHBondContact CE1-OH 2.92Å; H35-Y37 AromaticContact CG-CE2 3.44Å; H35-Y37 VanDerWaalsContact CG-CE2 3.44Å; H35-Y37 AromaticContact CG-CZ 3.76Å; H35-Y37 AromaticContact ND1-CE2 3.74Å; H35-Y37 AromaticContact ND1-CZ 3.52Å; H35-Y37 PolarHBondContact ND1-OH 2.88Å; Y37-Y39 PolarHBondContact O-N 3.34Å; Y37-Q110 HydrophobicContact CD1-CB 4.39Å; Y37-Q110 HydrophobicContact CD1-CG 3.88Å; Y37-Q110 HydrophobicContact CE1-CG 3.96Å
38	N	93.6	Very high	83.2	Confident	100 Å²	100	67.7 Å²	67.7	54%	0.535	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	7.9	-179.3	-54.2	-38.5	0	0	0	116	Y36 K40 P85	Y36-N38 PolarHBondContact O-N 3.4Å; Y36-N38 VanDerWaalsContact O-N 3.11Å; N38-K40 PolarHBondContact O-NZ 3.34Å; N38-P85 HydrophobicContact CB-CG 3.84Å
39	Y	98.3	Very high	85.5	Confident	40 Å²	40	67.1 Å²	67.1	16%	0.157	35%	0.354	C	S	.	.			trans	-62	146.3	168.8	-81	-121.3	0	0	0	109.6	Y36 Y37 E64 V83 S84 L109	Y36-Y39 VanDerWaalsContact C-CD2 3.42Å; Y36-Y39 VanDerWaalsContact CA-CD2 3.5Å; Y36-Y39 AromaticContact CD1-CD1 3.77Å; Y36-Y39 HydrophobicContact CD1-CD1 3.77Å; Y36-Y39 HydrophobicContact CD1-CD2 4.47Å; Y36-Y39 HydrophobicContact CD1-CE1 4.12Å; Y36-Y39 AromaticContact CD1-CG 3.96Å; Y36-Y39 HydrophobicContact CD1-CG 3.96Å; Y36-Y39 WeakPolarHBondContact O-CB 3.45Å; Y36-Y39 PolarHBondContact O-N 2.8Å; Y37-Y39 PolarHBondContact O-N 3.34Å; Y39-E64 PolarHBondContact OH-O 3.37Å; Y39-V83 CarbonylContact C-O 3.17Å; Y39-V83 WeakPolarHBondContact CA-O 3.18Å; Y39-V83 WeakPolarHBondContact CB-O 3.46Å; Y39-V83 VanDerWaalsContact CD1-C 3.45Å; Y39-V83 WeakPolarHBondContact CD1-O 3.45Å; Y39-S84 WeakPolarHBondContact OH-CB 3.41Å; Y39-L109 WeakPolarHBondContact O-CB 3.5Å; Y39-L109 PolarHBondContact O-N 2.88Å
40	K	98.3	Very high	87.8	Confident	44 Å²	44	67 Å²	67	19%	0.191	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	156.9	177.8	-65.7	173.7	-171.2	66.3	0	109.6	N38 L42 S82 V83 F88 I104 V106	N38-K40 PolarHBondContact O-NZ 3.34Å; K40-L42 HydrophobicContact CB-CD2 4.27Å; K40-S82 CarbonylContact O-C 3.17Å; K40-S82 VanDerWaalsContact O-CA 3.23Å; K40-S82 WeakPolarHBondContact O-CA 3.27Å; K40-V83 HydrophobicContact CB-CG2 4.21Å; K40-V83 PolarHBondContact N-O 3.18Å; K40-V83 PolarHBondContact O-N 3.11Å; K40-F88 HydrophobicContact CD-CD2 3.83Å; K40-F88 HydrophobicContact CD-CE2 3.85Å; K40-F88 HydrophobicContact CD-CG 4.22Å; K40-F88 HydrophobicContact CD-CZ 4.24Å; K40-I104 HydrophobicContact CB-CG2 4.43Å; K40-I104 HydrophobicContact CD-CD1 4.24Å; K40-I104 HydrophobicContact CD-CG2 4.43Å; K40-I104 HydrophobicContact CG-CG2 4.5Å; K40-V106 CarbonylContact C-O 3.6Å; K40-V106 WeakPolarHBondContact CA-O 3.46Å
41	V	97.7	Very high	90.1	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.1	164.3	-174.8	0	0	0	0	107.5	W69 I81 T105 V106 L109	V41-W69 HydrophobicContact CG1-CE3 4.34Å; V41-W69 HydrophobicContact CG1-CZ3 4.37Å; V41-W69 HydrophobicContact CG2-CH2 3.7Å; V41-W69 HydrophobicContact CG2-CZ2 3.84Å; V41-W69 HydrophobicContact CG2-CZ3 4.2Å; V41-I81 CarbonylContact C-O 3.49Å; V41-I81 WeakPolarHBondContact CA-O 3.48Å; V41-T105 WeakPolarHBondContact CG1-OG1 3.42Å; V41-T105 PolarHBondContact O-N 2.92Å; V41-T105 PolarHBondContact O-OG1 3.39Å; V41-V106 HydrophobicContact CB-CB 3.79Å; V41-V106 HydrophobicContact CB-CG2 3.99Å; V41-V106 HydrophobicContact CG2-CB 3.77Å; V41-V106 HydrophobicContact CG2-CG1 4.5Å; V41-V106 HydrophobicContact CG2-CG2 3.97Å; V41-V106 PolarHBondContact N-O 2.96Å; V41-V106 PolarHBondContact O-N 3.26Å; V41-L109 HydrophobicContact CG2-CD1 4.08Å; V41-L109 HydrophobicContact CG2-CD2 4.4Å
42	L	97.1	Very high	91.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	144	176.7	-51	-173.7	0	0	0	109.6	K40 M44 Y80 I81 V83 F88 L91 Y102 E103 I104	K40-L42 HydrophobicContact CB-CD2 4.27Å; L42-M44 HydrophobicContact CB-CE 3.95Å; L42-M44 HydrophobicContact CD1-CE 4.34Å; L42-Y80 WeakPolarHBondContact O-CA 3.48Å; L42-I81 HydrophobicContact CB-CG2 4.05Å; L42-I81 PolarHBondContact N-O 3.33Å; L42-I81 PolarHBondContact O-N 3.39Å; L42-V83 HydrophobicContact CD1-CG1 4.47Å; L42-V83 HydrophobicContact CD1-CG2 4.05Å; L42-V83 HydrophobicContact CG-CG2 3.97Å; L42-F88 HydrophobicContact CD1-CD2 4.06Å; L42-F88 HydrophobicContact CD1-CE2 4.27Å; L42-F88 HydrophobicContact CD2-CD2 3.97Å; L42-F88 HydrophobicContact CD2-CE2 3.76Å; L42-F88 HydrophobicContact CG-CD2 4.47Å; L42-L91 HydrophobicContact CD1-CD2 4.29Å; L42-Y102 HydrophobicContact CD1-CD2 4.35Å; L42-Y102 HydrophobicContact CD2-CD2 4.12Å; L42-Y102 HydrophobicContact CD2-CE2 4.48Å; L42-E103 CarbonylContact C-O 3.6Å; L42-E103 WeakPolarHBondContact CA-O 3.47Å; L42-I104 HydrophobicContact CD2-CB 4.44Å; L42-I104 HydrophobicContact CD2-CG1 3.74Å
43	R	95.8	Very high	92.9	Very high	40 Å²	40	60.8 Å²	60.8	15%	0.151	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.7	165.8	179.1	-171.6	172.4	-120.8	-4.1	108.6	R45 S78 M79 Y80 Y102 E103 T105	R43-R45 VanDerWaalsContact NH2-NH2 3.18Å; R43-S78 PolarHBondContact NE-OG 2.94Å; R43-S78 VanDerWaalsContact NE-OG 3.14Å; R43-S78 PolarHBondContact NH2-OG 2.99Å; R43-M79 WeakPolarHBondContact CA-O 3.38Å; R43-Y80 HydrophobicContact CB-CD1 4.09Å; R43-Y80 HydrophobicContact CB-CE1 3.89Å; R43-Y80 WeakPolarHBondContact CD-OH 3.44Å; R43-Y80 HydrophobicContact CG-CD1 4.34Å; R43-Y80 HydrophobicContact CG-CE1 3.87Å; R43-Y80 HydrophobicContact CG-CE2 4.11Å; R43-Y80 PolarHBondContact NE-OH 3.27Å; R43-Y102 CarbonylContact O-C 3.49Å; R43-Y102 WeakPolarHBondContact O-CA 3.32Å; R43-E103 HydrophobicContact CB-CB 4.39Å; R43-E103 PolarHBondContact N-O 3.02Å; R43-E103 IonicContact NH1-OE2 2.61Å; R43-E103 PolarHBondContact NH1-OE2 2.88Å; R43-E103 PolarHBondContact O-N 3.42Å; R43-T105 HydrophobicContact CB-CG2 3.52Å
44	M	94.4	Very high	93.3	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.7	-178.9	55.6	-164.7	68.3	0	0	109.7	L42 I46 I55 S78 M79 I81 L91 L95	L42-M44 HydrophobicContact CB-CE 3.95Å; L42-M44 HydrophobicContact CD1-CE 4.34Å; M44-I46 HydrophobicContact CB-CD1 4.08Å; M44-I46 HydrophobicContact CB-CG1 4.14Å; M44-I46 HydrophobicContact CG-CD1 3.39Å; M44-I46 HydrophobicContact CG-CG1 3.87Å; M44-I46 HydrophobicContact SD-CD1 3.26Å; M44-I46 WeakPolarHBondContact SD-CD1 3.49Å; M44-I46 HydrophobicContact SD-CG1 4.32Å; M44-I55 HydrophobicContact SD-CD1 3.59Å; M44-I55 VanDerWaalsContact SD-CD1 3.59Å; M44-S78 CarbonylContact O-C 3.58Å; M44-S78 VanDerWaalsContact O-CA 3.26Å; M44-S78 WeakPolarHBondContact O-CA 3.4Å; M44-M79 HydrophobicContact CG-CB 3.75Å; M44-M79 HydrophobicContact CG-CG 4.43Å; M44-M79 PolarHBondContact N-O 2.94Å; M44-M79 PolarHBondContact O-N 2.93Å; M44-M79 HydrophobicContact SD-CB 4.4Å; M44-M79 HydrophobicContact SD-SD 4.07Å; M44-I81 HydrophobicContact CE-CG2 3.45Å; M44-I81 VanDerWaalsContact CE-CG2 3.45Å; M44-L91 HydrophobicContact CE-CD2 4.01Å; M44-L95 HydrophobicContact CE-CD1 4.1Å; M44-L95 HydrophobicContact SD-CD2 4.22Å
45	R	91.4	Very high	93.5	Very high	158 Å²	158	56.4 Å²	56.4	60%	0.596	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	106.3	174.3	-72.3	-172.3	175.7	102.2	-7.3	108.6	R43 N77	R43-R45 VanDerWaalsContact NH2-NH2 3.18Å; R45-N77 CarbonylContact C-O 3.58Å; R45-N77 VanDerWaalsContact CA-O 3.32Å; R45-N77 WeakPolarHBondContact CA-O 3.5Å
46	I	90.5	Very high	93.5	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.015	27%	0.269	C	S	.	.			trans	-126.7	127.5	-176.7	-57.9	169.8	0	0	0	109.2	M44 I51 I52 I55 N77 M79 T100	M44-I46 HydrophobicContact CB-CD1 4.08Å; M44-I46 HydrophobicContact CB-CG1 4.14Å; M44-I46 HydrophobicContact CG-CD1 3.39Å; M44-I46 HydrophobicContact CG-CG1 3.87Å; M44-I46 HydrophobicContact SD-CD1 3.26Å; M44-I46 WeakPolarHBondContact SD-CD1 3.49Å; M44-I46 HydrophobicContact SD-CG1 4.32Å; I46-I51 HydrophobicContact CD1-CG2 3.67Å; I46-I51 HydrophobicContact CG1-CG2 4.19Å; I46-I51 HydrophobicContact CG2-CB 3.77Å; I46-I51 HydrophobicContact CG2-CG2 3.65Å; I46-I52 HydrophobicContact CB-CG1 4.35Å; I46-I52 HydrophobicContact CG2-CD1 4.24Å; I46-I52 HydrophobicContact CG2-CG1 3.63Å; I46-I55 HydrophobicContact CD1-CD1 3.49Å; I46-I55 VanDerWaalsContact CD1-CD1 3.49Å; I46-N77 PolarHBondContact N-O 2.87Å; I46-M79 HydrophobicContact CD1-SD 4.47Å; I46-T100 HydrophobicContact CG1-CG2 3.9Å
47	S	86.8	Confident	93.4	Very high	83 Å²	83	58.3 Å²	58.3	58%	0.58	29%	0.289	S	S	*	.			trans	-116.7	-13.2	173.7	-38.9	0	0	0	0	112.2	P49 N77	S47-P49 WeakPolarHBondContact O-CD 3.48Å; S47-N77 PolarHBondContact OG-ND2 2.9Å
48	D	90.5	Very high	93.5	Very high	68 Å²	68	52.2 Å²	52.2	36%	0.364	27%	0.267	S	S	.	.			trans	-78.4	117.6	-179	-173.2	-21.4	0	0	0	110.6	Q50 I51 I52	D48-Q50 PolarHBondContact O-N 3.24Å; D48-Q50 WeakPolarHBondContact OD1-CB 3.18Å; D48-Q50 PolarHBondContact OD1-N 3.18Å; D48-I51 HydrophobicContact CB-CB 4.21Å; D48-I51 HydrophobicContact CB-CD1 3.86Å; D48-I51 HydrophobicContact CB-CG1 3.9Å; D48-I51 PolarHBondContact O-N 3.16Å; D48-I52 WeakPolarHBondContact O-CG1 3.38Å; D48-I52 PolarHBondContact O-N 2.88Å; D48-I52 VanDerWaalsContact O-N 3.15Å
49	P	89	Confident	93.5	Very high	84 Å²	84	48.3 Å²	48.3	55%	0.545	25%	0.246	S	C	.	.	H	α-helix	trans	-58.4	-31.3	177.4	-24	35.2	0	0	0	114.1	S47 I52 N53	S47-P49 WeakPolarHBondContact O-CD 3.48Å; P49-I52 PolarHBondContact O-N 3.38Å; P49-N53 WeakPolarHBondContact O-CB 3.34Å; P49-N53 PolarHBondContact O-N 3.01Å; P49-N53 PolarHBondContact O-ND2 3.07Å
50	Q	91.5	Very high	93.2	Very high	148 Å²	148	48.5 Å²	48.5	69%	0.692	25%	0.249	S	C	*	.	H	α-helix	trans	-67.1	-45.4	179.4	-64.8	-173.9	-11.3	0	0	110.9	D48 I52 N53 T54	D48-Q50 PolarHBondContact O-N 3.24Å; D48-Q50 WeakPolarHBondContact OD1-CB 3.18Å; D48-Q50 PolarHBondContact OD1-N 3.18Å; Q50-I52 VanDerWaalsContact C-N 3.35Å; Q50-I52 PolarHBondContact O-N 3.09Å; Q50-N53 PolarHBondContact O-N 3.13Å; Q50-T54 PolarHBondContact O-N 3.13Å; Q50-T54 PolarHBondContact O-OG1 3.46Å; Q50-T54 VanDerWaalsContact O-OG1 3.14Å
51	I	93.4	Very high	92.9	Very high	13 Å²	13	52.5 Å²	52.5	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-46.6	175.7	-62.4	-179.5	0	0	0	110.3	I46 D48 N53 T54 I55 W98	I46-I51 HydrophobicContact CD1-CG2 3.67Å; I46-I51 HydrophobicContact CG1-CG2 4.19Å; I46-I51 HydrophobicContact CG2-CB 3.77Å; I46-I51 HydrophobicContact CG2-CG2 3.65Å; D48-I51 HydrophobicContact CB-CB 4.21Å; D48-I51 HydrophobicContact CB-CD1 3.86Å; D48-I51 HydrophobicContact CB-CG1 3.9Å; D48-I51 PolarHBondContact O-N 3.16Å; I51-N53 VanDerWaalsContact C-N 3.34Å; I51-N53 PolarHBondContact O-N 3.39Å; I51-T54 PolarHBondContact O-N 2.71Å; I51-I55 HydrophobicContact CG2-CD1 4.03Å; I51-I55 WeakPolarHBondContact O-CG1 3.48Å; I51-I55 PolarHBondContact O-N 2.74Å; I51-W98 HydrophobicContact CB-CE3 4.32Å; I51-W98 HydrophobicContact CD1-CB 3.76Å; I51-W98 HydrophobicContact CD1-CD2 4.25Å; I51-W98 HydrophobicContact CD1-CE3 4.3Å; I51-W98 HydrophobicContact CD1-CG 4.06Å; I51-W98 HydrophobicContact CG1-CB 4.39Å; I51-W98 HydrophobicContact CG1-CD2 3.96Å; I51-W98 HydrophobicContact CG1-CE3 4.06Å; I51-W98 HydrophobicContact CG1-CG 4.13Å; I51-W98 HydrophobicContact CG2-CD2 4.34Å; I51-W98 HydrophobicContact CG2-CE3 3.57Å; I51-W98 HydrophobicContact CG2-CH2 4.48Å; I51-W98 HydrophobicContact CG2-CZ3 3.65Å
52	I	92.6	Very high	92.7	Very high	31 Å²	31	55 Å²	55	16%	0.159	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-47.8	179.1	-65.4	166.9	0	0	0	110.5	I46 D48 P49 Q50 T54 I55 I56 P72 M79	I46-I52 HydrophobicContact CB-CG1 4.35Å; I46-I52 HydrophobicContact CG2-CD1 4.24Å; I46-I52 HydrophobicContact CG2-CG1 3.63Å; D48-I52 WeakPolarHBondContact O-CG1 3.38Å; D48-I52 PolarHBondContact O-N 2.88Å; D48-I52 VanDerWaalsContact O-N 3.15Å; P49-I52 PolarHBondContact O-N 3.38Å; Q50-I52 VanDerWaalsContact C-N 3.35Å; Q50-I52 PolarHBondContact O-N 3.09Å; I52-T54 PolarHBondContact O-N 3.29Å; I52-I55 PolarHBondContact O-N 3.19Å; I52-I56 HydrophobicContact CG2-CD1 3.85Å; I52-I56 WeakPolarHBondContact O-CG1 3.45Å; I52-I56 PolarHBondContact O-N 3.28Å; I52-P72 HydrophobicContact CD1-CB 4.34Å; I52-P72 HydrophobicContact CD1-CG 3.82Å; I52-P72 HydrophobicContact CG1-CG 4.13Å; I52-M79 HydrophobicContact CB-CE 4.35Å; I52-M79 HydrophobicContact CG1-CE 4.18Å; I52-M79 HydrophobicContact CG2-CE 3.97Å
53	N	92.1	Very high	92.5	Very high	89 Å²	89	57.1 Å²	57.1	48%	0.476	30%	0.298	S	S	.	.	H	α-helix	trans	-65	-37.4	179.8	-73.1	-24.4	0	0	0	112.4	P49 Q50 I51 I56 N57	P49-N53 WeakPolarHBondContact O-CB 3.34Å; P49-N53 PolarHBondContact O-N 3.01Å; P49-N53 PolarHBondContact O-ND2 3.07Å; Q50-N53 PolarHBondContact O-N 3.13Å; I51-N53 VanDerWaalsContact C-N 3.34Å; I51-N53 PolarHBondContact O-N 3.39Å; N53-I56 PolarHBondContact O-N 3.41Å; N53-N57 VanDerWaalsContact O-CG 3.26Å; N53-N57 PolarHBondContact O-N 2.96Å; N53-N57 PolarHBondContact O-ND2 3.33Å
54	T	94.4	Very high	92.3	Very high	48 Å²	48	60.7 Å²	60.7	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-64	-42.7	174.7	-61.2	0	0	0	0	111.5	Q50 I51 I52 I56 N57 L58 W98	Q50-T54 PolarHBondContact O-N 3.13Å; Q50-T54 PolarHBondContact O-OG1 3.46Å; Q50-T54 VanDerWaalsContact O-OG1 3.14Å; I51-T54 PolarHBondContact O-N 2.71Å; I52-T54 PolarHBondContact O-N 3.29Å; T54-I56 VanDerWaalsContact C-N 3.34Å; T54-I56 PolarHBondContact O-N 3.17Å; T54-N57 PolarHBondContact O-N 3.43Å; T54-L58 WeakPolarHBondContact O-CG 3.41Å; T54-L58 PolarHBondContact O-N 2.88Å; T54-W98 HydrophobicContact CG2-CH2 3.59Å; T54-W98 HydrophobicContact CG2-CZ2 3.8Å
55	I	95.3	Very high	92.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-38.9	176.9	-64.6	169.7	0	0	0	111.3	M44 I46 I51 I52 N57 L58 N59 I68 M79 I81 L91 W98	M44-I55 HydrophobicContact SD-CD1 3.59Å; M44-I55 VanDerWaalsContact SD-CD1 3.59Å; I46-I55 HydrophobicContact CD1-CD1 3.49Å; I46-I55 VanDerWaalsContact CD1-CD1 3.49Å; I51-I55 HydrophobicContact CG2-CD1 4.03Å; I51-I55 WeakPolarHBondContact O-CG1 3.48Å; I51-I55 PolarHBondContact O-N 2.74Å; I52-I55 PolarHBondContact O-N 3.19Å; I55-N57 VanDerWaalsContact C-N 3.31Å; I55-N57 PolarHBondContact O-N 3.42Å; I55-L58 PolarHBondContact O-N 2.9Å; I55-N59 PolarHBondContact O-N 3.01Å; I55-I68 HydrophobicContact CG2-CD1 4.14Å; I55-I68 HydrophobicContact CG2-CG1 4.48Å; I55-M79 HydrophobicContact CB-SD 4.25Å; I55-M79 HydrophobicContact CD1-CE 4.49Å; I55-M79 HydrophobicContact CD1-SD 3.83Å; I55-M79 HydrophobicContact CG2-SD 3.7Å; I55-I81 HydrophobicContact CG2-CD1 3.65Å; I55-L91 HydrophobicContact CD1-CD1 4.32Å; I55-L91 HydrophobicContact CG1-CD1 4Å; I55-W98 HydrophobicContact CG1-CZ3 4.39Å
56	I	92.2	Very high	92.6	Very high	45 Å²	45	54.1 Å²	54.1	23%	0.231	29%	0.293	C	S	.	.	H	α-helix	trans	-58.3	-45.8	172.4	-72.3	166.3	0	0	0	110.4	I52 N53 T54 L58 N59 L60 I68 F71	I52-I56 HydrophobicContact CG2-CD1 3.85Å; I52-I56 WeakPolarHBondContact O-CG1 3.45Å; I52-I56 PolarHBondContact O-N 3.28Å; N53-I56 PolarHBondContact O-N 3.41Å; T54-I56 VanDerWaalsContact C-N 3.34Å; T54-I56 PolarHBondContact O-N 3.17Å; I56-L58 PolarHBondContact O-N 3.12Å; I56-N59 PolarHBondContact O-N 3.36Å; I56-L60 HydrophobicContact CG2-CD1 3.85Å; I56-L60 HydrophobicContact CG2-CG 4.33Å; I56-L60 WeakPolarHBondContact O-CG 3.49Å; I56-L60 PolarHBondContact O-N 3.23Å; I56-I68 HydrophobicContact CG1-CD1 4.21Å; I56-F71 HydrophobicContact CD1-CD1 4.42Å; I56-F71 HydrophobicContact CD1-CE1 3.86Å; I56-F71 HydrophobicContact CG1-CE1 3.71Å
57	N	93.5	Very high	92.9	Very high	84 Å²	84	54.4 Å²	54.4	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-64.5	-38.5	178.6	-70.7	-27.2	0	0	0	112.4	N53 T54 I55 L60 N61	N53-N57 VanDerWaalsContact O-CG 3.26Å; N53-N57 PolarHBondContact O-N 2.96Å; N53-N57 PolarHBondContact O-ND2 3.33Å; T54-N57 PolarHBondContact O-N 3.43Å; I55-N57 VanDerWaalsContact C-N 3.31Å; I55-N57 PolarHBondContact O-N 3.42Å; N57-L60 PolarHBondContact O-N 2.93Å; N57-N61 WeakPolarHBondContact O-CB 3.39Å; N57-N61 VanDerWaalsContact O-CG 3.27Å; N57-N61 PolarHBondContact O-N 3.1Å; N57-N61 PolarHBondContact O-ND2 2.85Å
58	L	95.1	Very high	93.3	Very high	16 Å²	16	50.9 Å²	50.9	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-45.7	172.4	-71.1	174	0	0	0	111.3	T54 I55 I56 L60 N61 E62 Y66 L91 Y94	T54-L58 WeakPolarHBondContact O-CG 3.41Å; T54-L58 PolarHBondContact O-N 2.88Å; I55-L58 PolarHBondContact O-N 2.9Å; I56-L58 PolarHBondContact O-N 3.12Å; L58-L60 PolarHBondContact O-N 2.93Å; L58-N61 PolarHBondContact O-N 3.17Å; L58-E62 PolarHBondContact O-N 3.06Å; L58-Y66 HydrophobicContact CB-CD2 3.83Å; L58-Y66 HydrophobicContact CB-CE2 3.82Å; L58-Y66 HydrophobicContact CB-CG 4.28Å; L58-Y66 HydrophobicContact CD2-CE2 4.26Å; L58-Y66 HydrophobicContact CG-CE2 4.45Å; L58-Y66 WeakPolarHBondContact O-CD2 3.28Å; L58-L91 HydrophobicContact CD1-CD1 4.25Å; L58-Y94 HydrophobicContact CD1-CD2 4.25Å; L58-Y94 HydrophobicContact CD1-CE2 4.3Å; L58-Y94 HydrophobicContact CD2-CE2 4.46Å
59	N	94.4	Very high	93.5	Very high	19 Å²	19	48.4 Å²	48.4	10%	0.102	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-38.3	175.6	166.9	-111.8	0	0	0	113.5	I55 I56 P63 Y66 I68	I55-N59 PolarHBondContact O-N 3.01Å; I56-N59 PolarHBondContact O-N 3.36Å; N59-P63 VanDerWaalsContact O-CA 3.3Å; N59-P63 WeakPolarHBondContact O-CA 3.36Å; N59-P63 WeakPolarHBondContact O-CB 3.26Å; N59-Y66 PolarHBondContact ND2-O 3.48Å; N59-I68 HydrophobicContact CB-CD1 3.89Å; N59-I68 HydrophobicContact CB-CG1 4.12Å
60	L	91.4	Very high	93.7	Very high	43 Å²	43	44.5 Å²	44.5	23%	0.225	23%	0.23	C	C	.	.	H	α-helix	trans	-71.3	-38.7	178.4	-71.5	172.4	0	0	0	112.7	I56 N57 L58	I56-L60 HydrophobicContact CG2-CD1 3.85Å; I56-L60 HydrophobicContact CG2-CG 4.33Å; I56-L60 WeakPolarHBondContact O-CG 3.49Å; I56-L60 PolarHBondContact O-N 3.23Å; N57-L60 PolarHBondContact O-N 2.93Å; L58-L60 PolarHBondContact O-N 2.93Å
61	N	92.7	Very high	93.6	Very high	129 Å²	129	39.7 Å²	39.7	69%	0.69	21%	0.207	S	C	*	.	H	α-helix	trans	-87.2	-28.9	-174.9	-66.7	-36.4	0	0	0	113.4	N57 L58 P63	N57-N61 WeakPolarHBondContact O-CB 3.39Å; N57-N61 VanDerWaalsContact O-CG 3.27Å; N57-N61 PolarHBondContact O-N 3.1Å; N57-N61 PolarHBondContact O-ND2 2.85Å; L58-N61 PolarHBondContact O-N 3.17Å; N61-P63 VanDerWaalsContact C-CD 3.48Å
62	E	93.3	Very high	93.4	Very high	54 Å²	54	40.1 Å²	40.1	25%	0.252	21%	0.21	S	C	.	.			trans	-132.6	59.8	-178.5	-59.1	175.5	-122.9	0	0	110.8	L58 E64 N65 Y66	L58-E62 PolarHBondContact O-N 3.06Å; E62-E64 VanDerWaalsContact C-OE2 3.29Å; E62-E64 PolarHBondContact O-N 3.23Å; E62-E64 VanDerWaalsContact O-N 3.09Å; E62-N65 HydrophobicContact CB-CB 4.13Å; E62-N65 PolarHBondContact O-N 3Å; E62-N65 PolarHBondContact OE2-ND2 2.84Å; E62-Y66 HydrophobicContact CB-CD2 3.93Å; E62-Y66 HydrophobicContact CB-CE2 3.93Å; E62-Y66 WeakPolarHBondContact O-CD2 3.43Å; E62-Y66 PolarHBondContact O-N 2.83Å
63	P	91.8	Very high	93	Very high	44 Å²	44	39.4 Å²	39.4	29%	0.286	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.7	-174.6	26.5	-36.1	0	0	0	114	N59 N61 N65	N59-P63 VanDerWaalsContact O-CA 3.3Å; N59-P63 WeakPolarHBondContact O-CA 3.36Å; N59-P63 WeakPolarHBondContact O-CB 3.26Å; N61-P63 VanDerWaalsContact C-CD 3.48Å; P63-N65 VanDerWaalsContact C-N 3.29Å
64	E	91.3	Very high	92.1	Very high	114 Å²	114	41.3 Å²	41.3	53%	0.533	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-25.7	172	70.5	-78.9	-172	0	0	113.2	Y39 E62	Y39-E64 PolarHBondContact OH-O 3.37Å; E62-E64 VanDerWaalsContact C-OE2 3.29Å; E62-E64 PolarHBondContact O-N 3.23Å; E62-E64 VanDerWaalsContact O-N 3.09Å
65	N	96.1	Very high	91.1	Very high	20 Å²	20	44.4 Å²	44.4	11%	0.107	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-22.8	-176.5	-71.3	-33.7	0	0	0	113.1	E62 P63 V83 S84	E62-N65 HydrophobicContact CB-CB 4.13Å; E62-N65 PolarHBondContact O-N 3Å; E62-N65 PolarHBondContact OE2-ND2 2.84Å; P63-N65 VanDerWaalsContact C-N 3.29Å; N65-V83 CarbonylContact O-C 3.6Å; N65-V83 VanDerWaalsContact O-CA 3.23Å; N65-V83 WeakPolarHBondContact O-CA 3.44Å; N65-S84 PolarHBondContact O-N 2.95Å; N65-S84 WeakPolarHBondContact OD1-CB 3.18Å; N65-S84 PolarHBondContact OD1-OG 2.94Å
66	Y	96.8	Very high	90.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	126.6	-171.8	-53.9	-74.4	0	0	0	110.9	L58 N59 E62 I81 S82 V83 G87 N90 L91	L58-Y66 HydrophobicContact CB-CD2 3.83Å; L58-Y66 HydrophobicContact CB-CE2 3.82Å; L58-Y66 HydrophobicContact CB-CG 4.28Å; L58-Y66 HydrophobicContact CD2-CE2 4.26Å; L58-Y66 HydrophobicContact CG-CE2 4.45Å; L58-Y66 WeakPolarHBondContact O-CD2 3.28Å; N59-Y66 PolarHBondContact ND2-O 3.48Å; E62-Y66 HydrophobicContact CB-CD2 3.93Å; E62-Y66 HydrophobicContact CB-CE2 3.93Å; E62-Y66 WeakPolarHBondContact O-CD2 3.43Å; E62-Y66 PolarHBondContact O-N 2.83Å; Y66-I81 HydrophobicContact CD1-CD1 4.12Å; Y66-S82 WeakPolarHBondContact CA-O 3.23Å; Y66-V83 HydrophobicContact CD1-CG1 3.87Å; Y66-V83 HydrophobicContact CE1-CG1 4.28Å; Y66-G87 WeakPolarHBondContact CE1-O 3.44Å; Y66-N90 WeakPolarHBondContact OH-CB 3.28Å; Y66-N90 PolarHBondContact OH-ND2 3.4Å; Y66-L91 HydrophobicContact CD1-CD2 4.46Å; Y66-L91 HydrophobicContact CE1-CB 3.96Å; Y66-L91 HydrophobicContact CE1-CD2 4.37Å
67	D	96.3	Very high	89.8	Confident	9 Å²	9	47.2 Å²	47.2	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	113.3	171.4	161.3	30.2	0	0	0	109.4	W69 I81 S82 R195	D67-W69 PolarHBondContact OD2-NE1 3.18Å; D67-W69 VanDerWaalsContact OD2-NE1 3.1Å; D67-I81 CarbonylContact O-C 3.55Å; D67-I81 WeakPolarHBondContact O-CA 3.25Å; D67-I81 WeakPolarHBondContact O-CG1 3.45Å; D67-S82 WeakPolarHBondContact CB-OG 3.42Å; D67-S82 PolarHBondContact N-O 3.3Å; D67-S82 PolarHBondContact O-N 3.42Å; D67-S82 PolarHBondContact O-OG 2.66Å; D67-S82 PolarHBondContact OD2-OG 3.44Å; D67-R195 IonicContact OD1-CZ 3.78Å; D67-R195 IonicContact OD1-NH1 3.52Å; D67-R195 PolarHBondContact OD1-NH1 2.98Å; D67-R195 IonicContact OD1-NH2 3.96Å; D67-R195 IonicContact OD2-NH1 3.5Å
68	I	95.4	Very high	89.7	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.046	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	118	-177.4	-57.8	172	0	0	0	109.1	I55 I56 N59 F71 M79 I81 R195	I55-I68 HydrophobicContact CG2-CD1 4.14Å; I55-I68 HydrophobicContact CG2-CG1 4.48Å; I56-I68 HydrophobicContact CG1-CD1 4.21Å; N59-I68 HydrophobicContact CB-CD1 3.89Å; N59-I68 HydrophobicContact CB-CG1 4.12Å; I68-F71 HydrophobicContact CB-CZ 4.35Å; I68-F71 HydrophobicContact CD1-CE1 3.81Å; I68-F71 HydrophobicContact CD1-CZ 4.1Å; I68-F71 HydrophobicContact CG2-CD1 4.16Å; I68-F71 HydrophobicContact CG2-CD2 4.38Å; I68-F71 HydrophobicContact CG2-CE1 3.88Å; I68-F71 HydrophobicContact CG2-CE2 4.14Å; I68-F71 HydrophobicContact CG2-CG 4.4Å; I68-F71 HydrophobicContact CG2-CZ 3.88Å; I68-M79 HydrophobicContact CG2-CG 4.42Å; I68-I81 HydrophobicContact CG1-CD1 3.97Å; I68-I81 HydrophobicContact CG1-CG1 4.15Å; I68-R195 PolarHBondContact O-NH2 3.33Å
69	W	95.1	Very high	89.6	Confident	15 Å²	15	42.5 Å²	42.5	6%	0.057	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-33.9	179.7	-68.9	15.3	0	0	0	112.8	V41 D67 Y80 S82 L109 L244 F319 F402 L403	V41-W69 HydrophobicContact CG1-CE3 4.34Å; V41-W69 HydrophobicContact CG1-CZ3 4.37Å; V41-W69 HydrophobicContact CG2-CH2 3.7Å; V41-W69 HydrophobicContact CG2-CZ2 3.84Å; V41-W69 HydrophobicContact CG2-CZ3 4.2Å; D67-W69 PolarHBondContact OD2-NE1 3.18Å; D67-W69 VanDerWaalsContact OD2-NE1 3.1Å; W69-Y80 PolarHBondContact N-O 3.4Å; W69-S82 PolarHBondContact NE1-OG 3.05Å; W69-L109 HydrophobicContact CH2-CD1 3.98Å; W69-L109 HydrophobicContact CZ2-CD1 4Å; W69-L109 HydrophobicContact CZ2-CD2 4.42Å; W69-L244 HydrophobicContact CZ2-CD1 3.56Å; W69-L244 HydrophobicContact CZ2-CD2 3.95Å; W69-L244 HydrophobicContact CZ2-CG 4.42Å; W69-F319 HydrophobicContact CB-CE1 4.29Å; W69-F319 HydrophobicContact CB-CZ 4.35Å; W69-F319 HydrophobicContact CE3-CE1 4.5Å; W69-F402 HydrophobicContact CB-CD2 4.27Å; W69-F402 HydrophobicContact CB-CE2 3.62Å; W69-F402 HydrophobicContact CB-CZ 4.39Å; W69-F402 AromaticContact CD1-CE2 3.88Å; W69-F402 AromaticContact CD2-CD2 3.72Å; W69-F402 HydrophobicContact CD2-CD2 3.72Å; W69-F402 AromaticContact CD2-CE2 3.97Å; W69-F402 HydrophobicContact CD2-CE2 3.97Å; W69-F402 HydrophobicContact CE3-CD2 4.05Å; W69-F402 AromaticContact CG-CD2 3.81Å; W69-F402 HydrophobicContact CG-CD2 3.81Å; W69-F402 AromaticContact CG-CE2 3.54Å; W69-F402 HydrophobicContact CG-CE2 3.54Å; W69-L403 HydrophobicContact CH2-CD1 4.27Å; W69-L403 HydrophobicContact CH2-CG 4.35Å
70	S	92.3	Very high	89.7	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	135.4	176	-179.7	0	0	0	0	109.9	R73 M79 Y80	S70-R73 VanDerWaalsContact OG-CZ 3.23Å; S70-R73 PolarHBondContact OG-NE 2.98Å; S70-R73 VanDerWaalsContact OG-NE 3.14Å; S70-R73 PolarHBondContact OG-NH2 3.06Å; S70-M79 VanDerWaalsContact O-CA 3.3Å; S70-M79 WeakPolarHBondContact O-CA 3.47Å; S70-M79 WeakPolarHBondContact O-CG 3.36Å; S70-Y80 PolarHBondContact N-O 3.34Å; S70-Y80 PolarHBondContact O-N 3.05Å
71	F	90.5	Very high	89.9	Confident	47 Å²	47	40.5 Å²	40.5	21%	0.206	21%	0.205	C	C	.	.			trans	-78.6	161.2	167.7	-64.2	-81.7	0	0	0	111.2	I56 I68 R73 M79 Y370	I56-F71 HydrophobicContact CD1-CD1 4.42Å; I56-F71 HydrophobicContact CD1-CE1 3.86Å; I56-F71 HydrophobicContact CG1-CE1 3.71Å; I68-F71 HydrophobicContact CB-CZ 4.35Å; I68-F71 HydrophobicContact CD1-CE1 3.81Å; I68-F71 HydrophobicContact CD1-CZ 4.1Å; I68-F71 HydrophobicContact CG2-CD1 4.16Å; I68-F71 HydrophobicContact CG2-CD2 4.38Å; I68-F71 HydrophobicContact CG2-CE1 3.88Å; I68-F71 HydrophobicContact CG2-CE2 4.14Å; I68-F71 HydrophobicContact CG2-CG 4.4Å; I68-F71 HydrophobicContact CG2-CZ 3.88Å; F71-R73 WeakPolarHBondContact O-CG 3.49Å; F71-M79 HydrophobicContact CD1-CE 4.37Å; F71-Y370 HydrophobicContact CB-CD1 3.78Å; F71-Y370 HydrophobicContact CB-CE1 4.09Å; F71-Y370 AromaticContact CD2-CD1 3.78Å; F71-Y370 HydrophobicContact CD2-CD1 3.78Å; F71-Y370 AromaticContact CD2-CE1 3.55Å; F71-Y370 HydrophobicContact CD2-CE1 3.55Å; F71-Y370 HydrophobicContact CD2-CE2 4.49Å; F71-Y370 HydrophobicContact CD2-CG 4.35Å; F71-Y370 AromaticContact CD2-CZ 3.93Å; F71-Y370 HydrophobicContact CG-CD1 4.11Å; F71-Y370 HydrophobicContact CG-CE1 4.25Å
72	P	87.9	Confident	90.2	Very high	22 Å²	22	34.5 Å²	34.5	14%	0.143	17%	0.173	C	C	.	.			trans	-53.2	138.5	166.5	-28.1	38.9	0	0	0	111.8	I52 M79	I52-P72 HydrophobicContact CD1-CB 4.34Å; I52-P72 HydrophobicContact CD1-CG 3.82Å; I52-P72 HydrophobicContact CG1-CG 4.13Å; P72-M79 HydrophobicContact CG-CB 4.09Å; P72-M79 HydrophobicContact CG-CE 4.19Å
73	R	85.2	Confident	90.4	Very high	16 Å²	16	31.9 Å²	31.9	6%	0.06	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-120.1	158.4	-173.4	-61.5	177.6	177.5	168.5	-19.1	109.9	S70 F71 N75 N76 N77 F319 Y322 L368 L369	S70-R73 VanDerWaalsContact OG-CZ 3.23Å; S70-R73 PolarHBondContact OG-NE 2.98Å; S70-R73 VanDerWaalsContact OG-NE 3.14Å; S70-R73 PolarHBondContact OG-NH2 3.06Å; F71-R73 WeakPolarHBondContact O-CG 3.49Å; R73-N75 VanDerWaalsContact C-N 3.32Å; R73-N75 PolarHBondContact O-N 3.37Å; R73-N75 VanDerWaalsContact O-N 3.07Å; R73-N76 HydrophobicContact CB-CB 4.43Å; R73-N76 PolarHBondContact N-O 3.13Å; R73-N76 CarbonylContact O-C 3.59Å; R73-N76 PolarHBondContact O-N 2.92Å; R73-N77 PolarHBondContact O-OD1 3.32Å; R73-F319 PolarHBondContact NH2-O 2.94Å; R73-Y322 WeakPolarHBondContact CD-OH 3.47Å; R73-Y322 VanDerWaalsContact NH1-CE2 3.3Å; R73-L368 WeakPolarHBondContact CA-O 3.22Å; R73-L368 WeakPolarHBondContact CB-O 3.38Å; R73-L369 HydrophobicContact CB-CD2 4.47Å; R73-L369 VanDerWaalsContact CD-CD2 3.42Å; R73-L369 HydrophobicContact CG-CD2 3.7Å
74	H	72.8	Confident	90.7	Very high	128 Å²	128	30 Å²	30	59%	0.593	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.5	-46.5	-172.7	-173.4	71.2	0	0	0	115.7	E367 L368	H74-E367 WeakPolarHBondContact CB-O 3.42Å; H74-L368 HydrophobicContact CB-CD2 4.31Å; H74-L368 PolarHBondContact N-O 3.34Å
75	N	73.8	Confident	91	Very high	113 Å²	113	27 Å²	27	60%	0.604	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.7	1.7	179.9	-67.3	-38.7	0	0	0	113.3	R73 Q361	R73-N75 VanDerWaalsContact C-N 3.32Å; R73-N75 PolarHBondContact O-N 3.37Å; R73-N75 VanDerWaalsContact O-N 3.07Å; N75-Q361 PolarHBondContact ND2-OE1 2.99Å
76	N	78.6	Confident	91.1	Very high	43 Å²	43	30.3 Å²	30.3	23%	0.23	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-145	93.1	-176	-176.5	4	0	0	0	109.5	R73 S78	R73-N76 HydrophobicContact CB-CB 4.43Å; R73-N76 PolarHBondContact N-O 3.13Å; R73-N76 CarbonylContact O-C 3.59Å; R73-N76 PolarHBondContact O-N 2.92Å; N76-S78 PolarHBondContact O-N 3.08Å; N76-S78 WeakPolarHBondContact OD1-CB 3.41Å; N76-S78 PolarHBondContact OD1-N 2.71Å; N76-S78 VanDerWaalsContact OD1-N 3.15Å; N76-S78 PolarHBondContact OD1-OG 3.2Å
77	N	81.9	Confident	91.1	Very high	62 Å²	62	30.2 Å²	30.2	33%	0.332	16%	0.159	S	C	.	.			trans	-73.1	18.1	-179.5	-62.3	-6.1	0	0	0	113	R45 I46 S47 R73	R45-N77 CarbonylContact C-O 3.58Å; R45-N77 VanDerWaalsContact CA-O 3.32Å; R45-N77 WeakPolarHBondContact CA-O 3.5Å; I46-N77 PolarHBondContact N-O 2.87Å; S47-N77 PolarHBondContact OG-ND2 2.9Å; R73-N77 PolarHBondContact O-OD1 3.32Å
78	S	90.5	Very high	91.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	120.5	178.5	-53.3	0	0	0	0	110.4	R43 M44 N76	R43-S78 PolarHBondContact NE-OG 2.94Å; R43-S78 VanDerWaalsContact NE-OG 3.14Å; R43-S78 PolarHBondContact NH2-OG 2.99Å; M44-S78 CarbonylContact O-C 3.58Å; M44-S78 VanDerWaalsContact O-CA 3.26Å; M44-S78 WeakPolarHBondContact O-CA 3.4Å; N76-S78 PolarHBondContact O-N 3.08Å; N76-S78 WeakPolarHBondContact OD1-CB 3.41Å; N76-S78 PolarHBondContact OD1-N 2.71Å; N76-S78 VanDerWaalsContact OD1-N 3.15Å; N76-S78 PolarHBondContact OD1-OG 3.2Å
79	M	93.8	Very high	91.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.2	162.7	-177.6	-178	-74.3	0	0	109.3	R43 M44 I46 I52 I55 I68 S70 F71 P72	R43-M79 WeakPolarHBondContact CA-O 3.38Å; M44-M79 HydrophobicContact CG-CB 3.75Å; M44-M79 HydrophobicContact CG-CG 4.43Å; M44-M79 PolarHBondContact N-O 2.94Å; M44-M79 PolarHBondContact O-N 2.93Å; M44-M79 HydrophobicContact SD-CB 4.4Å; M44-M79 HydrophobicContact SD-SD 4.07Å; I46-M79 HydrophobicContact CD1-SD 4.47Å; I52-M79 HydrophobicContact CB-CE 4.35Å; I52-M79 HydrophobicContact CG1-CE 4.18Å; I52-M79 HydrophobicContact CG2-CE 3.97Å; I55-M79 HydrophobicContact CB-SD 4.25Å; I55-M79 HydrophobicContact CD1-CE 4.49Å; I55-M79 HydrophobicContact CD1-SD 3.83Å; I55-M79 HydrophobicContact CG2-SD 3.7Å; I68-M79 HydrophobicContact CG2-CG 4.42Å; S70-M79 VanDerWaalsContact O-CA 3.3Å; S70-M79 WeakPolarHBondContact O-CA 3.47Å; S70-M79 WeakPolarHBondContact O-CG 3.36Å; F71-M79 HydrophobicContact CD1-CE 4.37Å; P72-M79 HydrophobicContact CG-CB 4.09Å; P72-M79 HydrophobicContact CG-CE 4.19Å
80	Y	95.7	Very high	91.4	Very high	20 Å²	20	39 Å²	39	8%	0.078	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.5	173	-70.1	-103.1	0	0	0	109.2	L42 R43 W69 S70 T105 G398	L42-Y80 WeakPolarHBondContact O-CA 3.48Å; R43-Y80 HydrophobicContact CB-CD1 4.09Å; R43-Y80 HydrophobicContact CB-CE1 3.89Å; R43-Y80 WeakPolarHBondContact CD-OH 3.44Å; R43-Y80 HydrophobicContact CG-CD1 4.34Å; R43-Y80 HydrophobicContact CG-CE1 3.87Å; R43-Y80 HydrophobicContact CG-CE2 4.11Å; R43-Y80 PolarHBondContact NE-OH 3.27Å; W69-Y80 PolarHBondContact N-O 3.4Å; S70-Y80 PolarHBondContact N-O 3.34Å; S70-Y80 PolarHBondContact O-N 3.05Å; Y80-T105 HydrophobicContact CE1-CG2 4.23Å; Y80-G398 WeakPolarHBondContact CE1-O 3.43Å
81	I	97	Very high	91.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	130.5	-177.2	-170.3	172.5	0	0	0	110	V41 L42 M44 I55 Y66 D67 I68 V83 L91	V41-I81 CarbonylContact C-O 3.49Å; V41-I81 WeakPolarHBondContact CA-O 3.48Å; L42-I81 HydrophobicContact CB-CG2 4.05Å; L42-I81 PolarHBondContact N-O 3.33Å; L42-I81 PolarHBondContact O-N 3.39Å; M44-I81 HydrophobicContact CE-CG2 3.45Å; M44-I81 VanDerWaalsContact CE-CG2 3.45Å; I55-I81 HydrophobicContact CG2-CD1 3.65Å; Y66-I81 HydrophobicContact CD1-CD1 4.12Å; D67-I81 CarbonylContact O-C 3.55Å; D67-I81 WeakPolarHBondContact O-CA 3.25Å; D67-I81 WeakPolarHBondContact O-CG1 3.45Å; I68-I81 HydrophobicContact CG1-CD1 3.97Å; I68-I81 HydrophobicContact CG1-CG1 4.15Å; I81-V83 HydrophobicContact CD1-CG1 4.38Å; I81-V83 HydrophobicContact CG1-CG1 4.16Å; I81-V83 HydrophobicContact CG2-CG1 4.18Å; I81-L91 HydrophobicContact CD1-CD2 4.22Å; I81-L91 HydrophobicContact CG2-CD2 4.14Å
82	S	97.7	Very high	91.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	135.8	165.4	59.2	0	0	0	0	110.4	K40 Y66 D67 W69	K40-S82 CarbonylContact O-C 3.17Å; K40-S82 VanDerWaalsContact O-CA 3.23Å; K40-S82 WeakPolarHBondContact O-CA 3.27Å; Y66-S82 WeakPolarHBondContact CA-O 3.23Å; D67-S82 WeakPolarHBondContact CB-OG 3.42Å; D67-S82 PolarHBondContact N-O 3.3Å; D67-S82 PolarHBondContact O-N 3.42Å; D67-S82 PolarHBondContact O-OG 2.66Å; D67-S82 PolarHBondContact OD2-OG 3.44Å; W69-S82 PolarHBondContact NE1-OG 3.05Å
83	V	98.3	Very high	92.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.4	-176.1	-63.7	0	0	0	0	111.8	Y39 K40 L42 N65 Y66 I81 F88 L91	Y39-V83 CarbonylContact C-O 3.17Å; Y39-V83 WeakPolarHBondContact CA-O 3.18Å; Y39-V83 WeakPolarHBondContact CB-O 3.46Å; Y39-V83 VanDerWaalsContact CD1-C 3.45Å; Y39-V83 WeakPolarHBondContact CD1-O 3.45Å; K40-V83 HydrophobicContact CB-CG2 4.21Å; K40-V83 PolarHBondContact N-O 3.18Å; K40-V83 PolarHBondContact O-N 3.11Å; L42-V83 HydrophobicContact CD1-CG1 4.47Å; L42-V83 HydrophobicContact CD1-CG2 4.05Å; L42-V83 HydrophobicContact CG-CG2 3.97Å; N65-V83 CarbonylContact O-C 3.6Å; N65-V83 VanDerWaalsContact O-CA 3.23Å; N65-V83 WeakPolarHBondContact O-CA 3.44Å; Y66-V83 HydrophobicContact CD1-CG1 3.87Å; Y66-V83 HydrophobicContact CE1-CG1 4.28Å; I81-V83 HydrophobicContact CD1-CG1 4.38Å; I81-V83 HydrophobicContact CG1-CG1 4.16Å; I81-V83 HydrophobicContact CG2-CG1 4.18Å; V83-F88 HydrophobicContact CB-CB 4.46Å; V83-F88 HydrophobicContact CG2-CB 3.78Å; V83-F88 HydrophobicContact CG2-CD2 3.93Å; V83-F88 HydrophobicContact CG2-CG 4.36Å; V83-L91 HydrophobicContact CG1-CD2 3.9Å
84	S	97.9	Very high	92.8	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.028	22%	0.223	C	C	.	.			trans	-67.4	170.4	169.7	79.8	0	0	0	0	110.8	Y39 N65 V86 G87 F88	Y39-S84 WeakPolarHBondContact OH-CB 3.41Å; N65-S84 PolarHBondContact O-N 2.95Å; N65-S84 WeakPolarHBondContact OD1-CB 3.18Å; N65-S84 PolarHBondContact OD1-OG 2.94Å; S84-V86 VanDerWaalsContact C-N 3.31Å; S84-V86 PolarHBondContact O-N 2.97Å; S84-V86 PolarHBondContact OG-N 3.17Å; S84-G87 PolarHBondContact O-N 3.33Å; S84-G87 PolarHBondContact OG-N 2.93Å; S84-F88 VanDerWaalsContact O-CB 3.27Å; S84-F88 WeakPolarHBondContact O-CB 3.4Å; S84-F88 PolarHBondContact O-N 3.38Å
85	P	97.9	Very high	93.9	Very high	51 Å²	51	37.5 Å²	37.5	33%	0.331	20%	0.195	S	C	.	.	H	α-helix	trans	-55.5	-44.4	171.9	-28.4	37.8	0	0	0	113.3	N38 F88 E89	N38-P85 HydrophobicContact CB-CG 3.84Å; P85-F88 PolarHBondContact O-N 3.02Å; P85-E89 PolarHBondContact O-N 3.45Å
86	V	97.1	Very high	94.9	Very high	90 Å²	90	38.6 Å²	38.6	55%	0.545	20%	0.196	S	C	.	.	H	α-helix	trans	-67.3	-45.6	177.2	177.7	0	0	0	0	110.7	S84 F88 E89 N90	S84-V86 VanDerWaalsContact C-N 3.31Å; S84-V86 PolarHBondContact O-N 2.97Å; S84-V86 PolarHBondContact OG-N 3.17Å; V86-F88 VanDerWaalsContact C-N 3.26Å; V86-F88 PolarHBondContact O-N 2.99Å; V86-E89 PolarHBondContact O-N 3.31Å; V86-N90 PolarHBondContact O-N 3.01Å
87	G	97.9	Very high	95.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-33.1	177.2	0	0	0	0	0	112.8	Y66 S84 L91	Y66-G87 WeakPolarHBondContact CE1-O 3.44Å; S84-G87 PolarHBondContact O-N 3.33Å; S84-G87 PolarHBondContact OG-N 2.93Å; G87-L91 WeakPolarHBondContact O-CB 3.44Å; G87-L91 PolarHBondContact O-N 3.09Å
88	F	98.1	Very high	96.3	Very high	37 Å²	37	44 Å²	44	16%	0.162	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-49.2	174.6	179.6	-99.2	0	0	0	111.3	K40 L42 V83 S84 P85 V86 N90 T92 Y102 I104	K40-F88 HydrophobicContact CD-CD2 3.83Å; K40-F88 HydrophobicContact CD-CE2 3.85Å; K40-F88 HydrophobicContact CD-CG 4.22Å; K40-F88 HydrophobicContact CD-CZ 4.24Å; L42-F88 HydrophobicContact CD1-CD2 4.06Å; L42-F88 HydrophobicContact CD1-CE2 4.27Å; L42-F88 HydrophobicContact CD2-CD2 3.97Å; L42-F88 HydrophobicContact CD2-CE2 3.76Å; L42-F88 HydrophobicContact CG-CD2 4.47Å; V83-F88 HydrophobicContact CB-CB 4.46Å; V83-F88 HydrophobicContact CG2-CB 3.78Å; V83-F88 HydrophobicContact CG2-CD2 3.93Å; V83-F88 HydrophobicContact CG2-CG 4.36Å; S84-F88 VanDerWaalsContact O-CB 3.27Å; S84-F88 WeakPolarHBondContact O-CB 3.4Å; S84-F88 PolarHBondContact O-N 3.38Å; P85-F88 PolarHBondContact O-N 3.02Å; V86-F88 VanDerWaalsContact C-N 3.26Å; V86-F88 PolarHBondContact O-N 2.99Å; F88-N90 VanDerWaalsContact C-N 3.34Å; F88-N90 PolarHBondContact O-N 2.88Å; F88-T92 HydrophobicContact CD1-CG2 4.5Å; F88-T92 HydrophobicContact CD2-CG2 3.97Å; F88-T92 HydrophobicContact CE1-CG2 4.25Å; F88-T92 HydrophobicContact CE2-CG2 3.68Å; F88-T92 HydrophobicContact CG-CG2 4.38Å; F88-T92 HydrophobicContact CZ-CG2 3.83Å; F88-T92 WeakPolarHBondContact O-CB 3.45Å; F88-T92 WeakPolarHBondContact O-CG2 3.45Å; F88-T92 PolarHBondContact O-N 2.95Å; F88-T92 PolarHBondContact O-OG1 2.88Å; F88-Y102 HydrophobicContact CE2-CE2 4.05Å; F88-Y102 HydrophobicContact CZ-CE2 4.27Å; F88-I104 HydrophobicContact CE2-CD1 4.22Å; F88-I104 HydrophobicContact CE2-CG1 4.41Å; F88-I104 HydrophobicContact CZ-CD1 4.22Å
89	E	97.2	Very high	96.5	Very high	131 Å²	131	51.3 Å²	51.3	61%	0.612	25%	0.254	S	S	*	.	H	α-helix	trans	-59.5	-46.2	177.1	-70.3	177.9	-175.4	0	0	111.3	P85 V86 T92 N93	P85-E89 PolarHBondContact O-N 3.45Å; V86-E89 PolarHBondContact O-N 3.31Å; E89-T92 PolarHBondContact O-OG1 2.74Å; E89-N93 VanDerWaalsContact O-CG 3.27Å; E89-N93 PolarHBondContact O-N 3.26Å; E89-N93 PolarHBondContact O-ND2 2.84Å; E89-N93 VanDerWaalsContact O-ND2 3.1Å
90	N	97.2	Very high	96.5	Very high	48 Å²	48	52.4 Å²	52.4	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-66.6	-51.7	-179.2	-170.4	11.9	0	0	0	112.4	Y66 V86 F88 T92 N93 Y94	Y66-N90 WeakPolarHBondContact OH-CB 3.28Å; Y66-N90 PolarHBondContact OH-ND2 3.4Å; V86-N90 PolarHBondContact O-N 3.01Å; F88-N90 VanDerWaalsContact C-N 3.34Å; F88-N90 PolarHBondContact O-N 2.88Å; N90-T92 PolarHBondContact O-N 3.37Å; N90-N93 WeakPolarHBondContact O-CB 3.35Å; N90-N93 PolarHBondContact O-N 3.01Å; N90-Y94 WeakPolarHBondContact O-CD2 3.42Å; N90-Y94 PolarHBondContact O-N 3.24Å; N90-Y94 WeakPolarHBondContact OD1-CE2 3.41Å
91	L	97.2	Very high	96.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-37.5	-178	-178.3	58.3	0	0	0	112.6	L42 M44 I55 L58 Y66 I81 V83 G87 N93 Y94 L95	L42-L91 HydrophobicContact CD1-CD2 4.29Å; M44-L91 HydrophobicContact CE-CD2 4.01Å; I55-L91 HydrophobicContact CD1-CD1 4.32Å; I55-L91 HydrophobicContact CG1-CD1 4Å; L58-L91 HydrophobicContact CD1-CD1 4.25Å; Y66-L91 HydrophobicContact CD1-CD2 4.46Å; Y66-L91 HydrophobicContact CE1-CB 3.96Å; Y66-L91 HydrophobicContact CE1-CD2 4.37Å; I81-L91 HydrophobicContact CD1-CD2 4.22Å; I81-L91 HydrophobicContact CG2-CD2 4.14Å; V83-L91 HydrophobicContact CG1-CD2 3.9Å; G87-L91 WeakPolarHBondContact O-CB 3.44Å; G87-L91 PolarHBondContact O-N 3.09Å; L91-N93 VanDerWaalsContact C-N 3.31Å; L91-N93 PolarHBondContact O-N 3.45Å; L91-Y94 PolarHBondContact O-N 3.13Å; L91-L95 HydrophobicContact CD1-CD1 4.44Å; L91-L95 HydrophobicContact CD1-CG 4.25Å; L91-L95 HydrophobicContact CG-CD1 3.96Å; L91-L95 HydrophobicContact CG-CG 4.26Å; L91-L95 WeakPolarHBondContact O-CB 3.32Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.48Å; L91-L95 PolarHBondContact O-N 3.31Å
92	T	96.8	Very high	96.3	Very high	12 Å²	12	59.2 Å²	59.2	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-66.1	-34.5	178	54.7	0	0	0	0	112.1	F88 E89 N90 L95 H96 Y102	F88-T92 HydrophobicContact CD1-CG2 4.5Å; F88-T92 HydrophobicContact CD2-CG2 3.97Å; F88-T92 HydrophobicContact CE1-CG2 4.25Å; F88-T92 HydrophobicContact CE2-CG2 3.68Å; F88-T92 HydrophobicContact CG-CG2 4.38Å; F88-T92 HydrophobicContact CZ-CG2 3.83Å; F88-T92 WeakPolarHBondContact O-CB 3.45Å; F88-T92 WeakPolarHBondContact O-CG2 3.45Å; F88-T92 PolarHBondContact O-N 2.95Å; F88-T92 PolarHBondContact O-OG1 2.88Å; E89-T92 PolarHBondContact O-OG1 2.74Å; N90-T92 PolarHBondContact O-N 3.37Å; T92-L95 PolarHBondContact O-N 3.29Å; T92-H96 PolarHBondContact O-CD2 3.35Å; T92-H96 PolarHBondContact O-N 3.34Å; T92-Y102 HydrophobicContact CG2-CD1 4.41Å; T92-Y102 HydrophobicContact CG2-CE1 3.68Å; T92-Y102 HydrophobicContact CG2-CE2 4Å; T92-Y102 VanDerWaalsContact CG2-CZ 3.44Å; T92-Y102 WeakPolarHBondContact CG2-OH 3.49Å
93	N	96.4	Very high	96.2	Very high	94 Å²	94	63.8 Å²	63.8	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-46.6	171.6	-71	-29.3	0	0	0	112	E89 N90 L91 H96 Q97	E89-N93 VanDerWaalsContact O-CG 3.27Å; E89-N93 PolarHBondContact O-N 3.26Å; E89-N93 PolarHBondContact O-ND2 2.84Å; E89-N93 VanDerWaalsContact O-ND2 3.1Å; N90-N93 WeakPolarHBondContact O-CB 3.35Å; N90-N93 PolarHBondContact O-N 3.01Å; L91-N93 VanDerWaalsContact C-N 3.31Å; L91-N93 PolarHBondContact O-N 3.45Å; N93-H96 PolarHBondContact O-N 3.18Å; N93-Q97 WeakPolarHBondContact O-CG 3.49Å; N93-Q97 PolarHBondContact O-N 2.9Å; N93-Q97 VanDerWaalsContact O-N 3.07Å
94	Y	95.5	Very high	96.1	Very high	80 Å²	80	67.2 Å²	67.2	31%	0.314	34%	0.339	S	S	.	.	H	α-helix	trans	-60	-46.4	174	-77.5	-64.8	0	0	0	112.1	L58 N90 L91 H96 Q97 W98	L58-Y94 HydrophobicContact CD1-CD2 4.25Å; L58-Y94 HydrophobicContact CD1-CE2 4.3Å; L58-Y94 HydrophobicContact CD2-CE2 4.46Å; N90-Y94 WeakPolarHBondContact O-CD2 3.42Å; N90-Y94 PolarHBondContact O-N 3.24Å; N90-Y94 WeakPolarHBondContact OD1-CE2 3.41Å; L91-Y94 PolarHBondContact O-N 3.13Å; Y94-H96 VanDerWaalsContact C-N 3.3Å; Y94-H96 PolarHBondContact O-N 3.47Å; Y94-Q97 WeakPolarHBondContact O-CB 3.42Å; Y94-Q97 PolarHBondContact O-N 2.94Å; Y94-Q97 VanDerWaalsContact O-N 3.13Å; Y94-W98 HydrophobicContact CD1-CH2 4.03Å; Y94-W98 AromaticContact CD1-CZ2 3.66Å; Y94-W98 HydrophobicContact CD1-CZ2 3.66Å; Y94-W98 HydrophobicContact CE1-CZ2 4.5Å; Y94-W98 AromaticContact CG-CH2 3.91Å; Y94-W98 HydrophobicContact CG-CH2 3.91Å; Y94-W98 HydrophobicContact CG-CZ2 4.01Å; Y94-W98 HydrophobicContact CG-CZ3 4.45Å; Y94-W98 VanDerWaalsContact O-CD2 3.23Å; Y94-W98 VanDerWaalsContact O-CG 3.24Å; Y94-W98 PolarHBondContact O-N 3.43Å
95	L	95.3	Very high	96	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-38.3	179.4	-69.3	170.9	0	0	0	112.1	M44 L91 T92 W98 N99 T100 Y102	M44-L95 HydrophobicContact CE-CD1 4.1Å; M44-L95 HydrophobicContact SD-CD2 4.22Å; L91-L95 HydrophobicContact CD1-CD1 4.44Å; L91-L95 HydrophobicContact CD1-CG 4.25Å; L91-L95 HydrophobicContact CG-CD1 3.96Å; L91-L95 HydrophobicContact CG-CG 4.26Å; L91-L95 WeakPolarHBondContact O-CB 3.32Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.48Å; L91-L95 PolarHBondContact O-N 3.31Å; T92-L95 PolarHBondContact O-N 3.29Å; L95-W98 HydrophobicContact CD2-CE3 4.26Å; L95-W98 CarbonylContact O-C 3.55Å; L95-W98 PolarHBondContact O-N 3.5Å; L95-N99 PolarHBondContact O-N 3.22Å; L95-N99 VanDerWaalsContact O-N 3.13Å; L95-T100 HydrophobicContact CD2-CG2 3.66Å; L95-T100 PolarHBondContact O-N 3.1Å; L95-Y102 HydrophobicContact CB-CD1 4.39Å; L95-Y102 HydrophobicContact CD1-CD1 3.75Å; L95-Y102 HydrophobicContact CD1-CG 4.08Å
96	H	95.3	Very high	95.9	Very high	135 Å²	135	67.7 Å²	67.7	63%	0.625	34%	0.341	S	S	*	.	H	α-helix	trans	-63.5	-44.7	173.1	-81.5	-66.4	0	0	0	112.1	T92 N93 Y94 W98 N99	T92-H96 PolarHBondContact O-CD2 3.35Å; T92-H96 PolarHBondContact O-N 3.34Å; N93-H96 PolarHBondContact O-N 3.18Å; Y94-H96 VanDerWaalsContact C-N 3.3Å; Y94-H96 PolarHBondContact O-N 3.47Å; H96-W98 VanDerWaalsContact C-N 3.28Å; H96-W98 PolarHBondContact O-N 3.03Å; H96-N99 PolarHBondContact O-N 2.99Å; H96-N99 VanDerWaalsContact O-N 3.15Å
97	Q	95	Very high	95.9	Very high	148 Å²	148	67.7 Å²	67.7	69%	0.692	35%	0.345	S	S	*	.	H	α-helix	trans	-62.1	-36.5	176.2	-69.1	172.2	4.4	0	0	112.2	N93 Y94 N99	N93-Q97 WeakPolarHBondContact O-CG 3.49Å; N93-Q97 PolarHBondContact O-N 2.9Å; N93-Q97 VanDerWaalsContact O-N 3.07Å; Y94-Q97 WeakPolarHBondContact O-CB 3.42Å; Y94-Q97 PolarHBondContact O-N 2.94Å; Y94-Q97 VanDerWaalsContact O-N 3.13Å; Q97-N99 VanDerWaalsContact C-N 3.28Å; Q97-N99 PolarHBondContact O-N 3.15Å
98	W	94.8	Very high	95.8	Very high	71 Å²	71	70.3 Å²	70.3	27%	0.269	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	6.4	177.5	-56.3	-32.8	0	0	0	114.1	I51 T54 I55 Y94 L95 H96 T100	I51-W98 HydrophobicContact CB-CE3 4.32Å; I51-W98 HydrophobicContact CD1-CB 3.76Å; I51-W98 HydrophobicContact CD1-CD2 4.25Å; I51-W98 HydrophobicContact CD1-CE3 4.3Å; I51-W98 HydrophobicContact CD1-CG 4.06Å; I51-W98 HydrophobicContact CG1-CB 4.39Å; I51-W98 HydrophobicContact CG1-CD2 3.96Å; I51-W98 HydrophobicContact CG1-CE3 4.06Å; I51-W98 HydrophobicContact CG1-CG 4.13Å; I51-W98 HydrophobicContact CG2-CD2 4.34Å; I51-W98 HydrophobicContact CG2-CE3 3.57Å; I51-W98 HydrophobicContact CG2-CH2 4.48Å; I51-W98 HydrophobicContact CG2-CZ3 3.65Å; T54-W98 HydrophobicContact CG2-CH2 3.59Å; T54-W98 HydrophobicContact CG2-CZ2 3.8Å; I55-W98 HydrophobicContact CG1-CZ3 4.39Å; Y94-W98 HydrophobicContact CD1-CH2 4.03Å; Y94-W98 AromaticContact CD1-CZ2 3.66Å; Y94-W98 HydrophobicContact CD1-CZ2 3.66Å; Y94-W98 HydrophobicContact CE1-CZ2 4.5Å; Y94-W98 AromaticContact CG-CH2 3.91Å; Y94-W98 HydrophobicContact CG-CH2 3.91Å; Y94-W98 HydrophobicContact CG-CZ2 4.01Å; Y94-W98 HydrophobicContact CG-CZ3 4.45Å; Y94-W98 VanDerWaalsContact O-CD2 3.23Å; Y94-W98 VanDerWaalsContact O-CG 3.24Å; Y94-W98 PolarHBondContact O-N 3.43Å; L95-W98 HydrophobicContact CD2-CE3 4.26Å; L95-W98 CarbonylContact O-C 3.55Å; L95-W98 PolarHBondContact O-N 3.5Å; H96-W98 VanDerWaalsContact C-N 3.28Å; H96-W98 PolarHBondContact O-N 3.03Å; W98-T100 PolarHBondContact O-N 3.35Å; W98-T100 VanDerWaalsContact O-N 3.11Å; W98-T100 PolarHBondContact O-OG1 2.99Å
99	N	94	Very high	95.8	Very high	155 Å²	155	68.5 Å²	68.5	83%	0.829	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	37.3	-175.6	-165.5	31.1	0	0	0	113.2	L95 H96 Q97	L95-N99 PolarHBondContact O-N 3.22Å; L95-N99 VanDerWaalsContact O-N 3.13Å; H96-N99 PolarHBondContact O-N 2.99Å; H96-N99 VanDerWaalsContact O-N 3.15Å; Q97-N99 VanDerWaalsContact C-N 3.28Å; Q97-N99 PolarHBondContact O-N 3.15Å
100	T	93.7	Very high	95.8	Very high	22 Å²	22	63.2 Å²	63.2	14%	0.135	33%	0.326	C	S	.	.			trans	-103.8	116.8	-176.7	-64.3	0	0	0	0	110.1	I46 L95 W98	I46-T100 HydrophobicContact CG1-CG2 3.9Å; L95-T100 HydrophobicContact CD2-CG2 3.66Å; L95-T100 PolarHBondContact O-N 3.1Å; W98-T100 PolarHBondContact O-N 3.35Å; W98-T100 VanDerWaalsContact O-N 3.11Å; W98-T100 PolarHBondContact O-OG1 2.99Å
101	S	93.5	Very high	95.8	Very high	90 Å²	90	66.3 Å²	66.3	63%	0.629	34%	0.337	S	S	*	.			trans	-72	145.1	175.5	64.9	0	0	0	0	112.2
102	Y	95.4	Very high	95.8	Very high	74 Å²	74	67.7 Å²	67.7	29%	0.29	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157	172.2	66.4	-87.8	0	0	0	111.7	L42 R43 F88 T92 L95 I104	L42-Y102 HydrophobicContact CD1-CD2 4.35Å; L42-Y102 HydrophobicContact CD2-CD2 4.12Å; L42-Y102 HydrophobicContact CD2-CE2 4.48Å; R43-Y102 CarbonylContact O-C 3.49Å; R43-Y102 WeakPolarHBondContact O-CA 3.32Å; F88-Y102 HydrophobicContact CE2-CE2 4.05Å; F88-Y102 HydrophobicContact CZ-CE2 4.27Å; T92-Y102 HydrophobicContact CG2-CD1 4.41Å; T92-Y102 HydrophobicContact CG2-CE1 3.68Å; T92-Y102 HydrophobicContact CG2-CE2 4Å; T92-Y102 VanDerWaalsContact CG2-CZ 3.44Å; T92-Y102 WeakPolarHBondContact CG2-OH 3.49Å; L95-Y102 HydrophobicContact CB-CD1 4.39Å; L95-Y102 HydrophobicContact CD1-CD1 3.75Å; L95-Y102 HydrophobicContact CD1-CG 4.08Å; Y102-I104 HydrophobicContact CD2-CG1 4.45Å; Y102-I104 HydrophobicContact CE2-CG1 4.21Å
103	E	96.3	Very high	95.9	Very high	97 Å²	97	67.3 Å²	67.3	45%	0.453	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.6	175.6	177.9	-172.4	175.1	0	0	108.5	L42 R43 T105	L42-E103 CarbonylContact C-O 3.6Å; L42-E103 WeakPolarHBondContact CA-O 3.47Å; R43-E103 HydrophobicContact CB-CB 4.39Å; R43-E103 PolarHBondContact N-O 3.02Å; R43-E103 IonicContact NH1-OE2 2.61Å; R43-E103 PolarHBondContact NH1-OE2 2.88Å; R43-E103 PolarHBondContact O-N 3.42Å; E103-T105 HydrophobicContact CG-CG2 4.25Å; E103-T105 PolarHBondContact O-N 3.36Å
104	I	96.4	Very high	95.9	Very high	72 Å²	72	67.3 Å²	67.3	37%	0.369	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	103.9	171	-60.4	169	0	0	0	107.7	K40 L42 F88 Y102	K40-I104 HydrophobicContact CB-CG2 4.43Å; K40-I104 HydrophobicContact CD-CD1 4.24Å; K40-I104 HydrophobicContact CD-CG2 4.43Å; K40-I104 HydrophobicContact CG-CG2 4.5Å; L42-I104 HydrophobicContact CD2-CB 4.44Å; L42-I104 HydrophobicContact CD2-CG1 3.74Å; F88-I104 HydrophobicContact CE2-CD1 4.22Å; F88-I104 HydrophobicContact CE2-CG1 4.41Å; F88-I104 HydrophobicContact CZ-CD1 4.22Å; Y102-I104 HydrophobicContact CD2-CG1 4.45Å; Y102-I104 HydrophobicContact CE2-CG1 4.21Å
105	T	95.5	Very high	96	Very high	42 Å²	42	66.8 Å²	66.8	26%	0.258	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-28.3	-180	56.4	0	0	0	0	112.4	V41 R43 Y80 E103	V41-T105 WeakPolarHBondContact CG1-OG1 3.42Å; V41-T105 PolarHBondContact O-N 2.92Å; V41-T105 PolarHBondContact O-OG1 3.39Å; R43-T105 HydrophobicContact CB-CG2 3.52Å; Y80-T105 HydrophobicContact CE1-CG2 4.23Å; E103-T105 HydrophobicContact CG-CG2 4.25Å; E103-T105 PolarHBondContact O-N 3.36Å
106	V	96.3	Very high	96.1	Very high	23 Å²	23	67.1 Å²	67.1	14%	0.139	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	113.1	171.4	-177.9	0	0	0	0	108.5	K40 V41 L109 A112	K40-V106 CarbonylContact C-O 3.6Å; K40-V106 WeakPolarHBondContact CA-O 3.46Å; V41-V106 HydrophobicContact CB-CB 3.79Å; V41-V106 HydrophobicContact CB-CG2 3.99Å; V41-V106 HydrophobicContact CG2-CB 3.77Å; V41-V106 HydrophobicContact CG2-CG1 4.5Å; V41-V106 HydrophobicContact CG2-CG2 3.97Å; V41-V106 PolarHBondContact N-O 2.96Å; V41-V106 PolarHBondContact O-N 3.26Å; V106-L109 HydrophobicContact CG1-CB 4.44Å; V106-A112 HydrophobicContact CG1-CB 3.98Å
107	S	96.4	Very high	96.1	Very high	90 Å²	90	63.8 Å²	63.8	63%	0.629	33%	0.334	S	S	*	.	S	Bend	trans	-79.6	-21.8	-178.5	57.9	0	0	0	0	114.1
108	N	96.7	Very high	96.3	Very high	55 Å²	55	65.1 Å²	65.1	29%	0.294	33%	0.332	S	S	.	.			trans	-145.7	96.3	177.2	-173.5	-32	0	0	0	109.9	Q110 K111 A112	N108-Q110 PolarHBondContact OD1-N 2.84Å; N108-K111 HydrophobicContact CB-CB 3.98Å; N108-K111 PolarHBondContact O-N 3.36Å; N108-K111 WeakPolarHBondContact OD1-CB 3.3Å; N108-K111 PolarHBondContact OD1-N 3.25Å; N108-A112 PolarHBondContact O-N 3.3Å; N108-A112 VanDerWaalsContact O-N 3.13Å
109	L	97.6	Very high	96.4	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66.2	-38.5	-177.2	179.9	57.4	0	0	0	112.3	Y36 Y39 V41 W69 V106 K111 A112 I113 L244 L403	Y36-L109 HydrophobicContact CD1-CD2 3.57Å; Y36-L109 HydrophobicContact CD1-CG 4.24Å; Y36-L109 HydrophobicContact CE1-CD2 4.17Å; Y36-L109 HydrophobicContact CG-CD2 3.99Å; Y36-L109 HydrophobicContact CG-CG 4.14Å; Y39-L109 WeakPolarHBondContact O-CB 3.5Å; Y39-L109 PolarHBondContact O-N 2.88Å; V41-L109 HydrophobicContact CG2-CD1 4.08Å; V41-L109 HydrophobicContact CG2-CD2 4.4Å; W69-L109 HydrophobicContact CH2-CD1 3.98Å; W69-L109 HydrophobicContact CZ2-CD1 4Å; W69-L109 HydrophobicContact CZ2-CD2 4.42Å; V106-L109 HydrophobicContact CG1-CB 4.44Å; L109-K111 VanDerWaalsContact C-N 3.28Å; L109-K111 PolarHBondContact O-N 2.85Å; L109-A112 PolarHBondContact O-N 2.96Å; L109-I113 HydrophobicContact CD1-CD1 4.29Å; L109-I113 HydrophobicContact CD1-CG1 4.39Å; L109-I113 HydrophobicContact CG-CD1 4.11Å; L109-I113 WeakPolarHBondContact O-CG1 3.26Å; L109-I113 PolarHBondContact O-N 3.2Å; L109-L244 HydrophobicContact CD2-CD1 3.94Å; L109-L403 HydrophobicContact CD1-CD1 3.59Å
110	Q	97.6	Very high	96.6	Very high	19 Å²	19	57.6 Å²	57.6	9%	0.089	30%	0.295	C	S	.	.	H	α-helix	trans	-57.6	-43.6	174.4	-176.5	61	45.9	0	0	111.5	Y36 Y37 N108 I113 L114	Y36-Q110 WeakPolarHBondContact O-CB 3.37Å; Y36-Q110 PolarHBondContact O-N 3.36Å; Y37-Q110 HydrophobicContact CD1-CB 4.39Å; Y37-Q110 HydrophobicContact CD1-CG 3.88Å; Y37-Q110 HydrophobicContact CE1-CG 3.96Å; N108-Q110 PolarHBondContact OD1-N 2.84Å; Q110-I113 PolarHBondContact O-N 3.38Å; Q110-L114 HydrophobicContact CG-CD1 4.17Å; Q110-L114 VanDerWaalsContact O-CG 3.29Å; Q110-L114 WeakPolarHBondContact O-CG 3.33Å; Q110-L114 PolarHBondContact O-N 2.78Å
111	K	96.9	Very high	96.7	Very high	113 Å²	113	61.4 Å²	61.4	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-62.7	-45.4	176.7	-174.5	-175.7	179.9	-62.5	0	111.3	N108 L109 I113 L114 D115	N108-K111 HydrophobicContact CB-CB 3.98Å; N108-K111 PolarHBondContact O-N 3.36Å; N108-K111 WeakPolarHBondContact OD1-CB 3.3Å; N108-K111 PolarHBondContact OD1-N 3.25Å; L109-K111 VanDerWaalsContact C-N 3.28Å; L109-K111 PolarHBondContact O-N 2.85Å; K111-I113 VanDerWaalsContact C-N 3.3Å; K111-I113 PolarHBondContact O-N 3.43Å; K111-L114 PolarHBondContact O-N 2.85Å; K111-L114 VanDerWaalsContact O-N 3.13Å; K111-D115 IonicContact NZ-OD1 3.14Å; K111-D115 IonicContact NZ-OD2 2.74Å; K111-D115 PolarHBondContact NZ-OD2 2.85Å; K111-D115 VanDerWaalsContact O-CG 3.31Å; K111-D115 PolarHBondContact O-N 3.01Å
112	A	97.1	Very high	96.7	Very high	29 Å²	29	62.1 Å²	62.1	24%	0.24	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-41.9	177.9	0	0	0	0	0	112.3	V106 N108 L109 D115 E116 L403	V106-A112 HydrophobicContact CG1-CB 3.98Å; N108-A112 PolarHBondContact O-N 3.3Å; N108-A112 VanDerWaalsContact O-N 3.13Å; L109-A112 PolarHBondContact O-N 2.96Å; A112-D115 PolarHBondContact O-N 2.74Å; A112-E116 PolarHBondContact O-N 3Å; A112-L403 HydrophobicContact CB-CD1 3.94Å
113	I	97.6	Very high	96.7	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-42.8	175.1	-67.6	167.3	0	0	0	111.3	Y36 L109 Q110 K111 D115 K117 R243 L403	Y36-I113 HydrophobicContact CD2-CD1 3.25Å; Y36-I113 HydrophobicContact CE2-CD1 3.58Å; Y36-I113 HydrophobicContact CG-CD1 3.92Å; L109-I113 HydrophobicContact CD1-CD1 4.29Å; L109-I113 HydrophobicContact CD1-CG1 4.39Å; L109-I113 HydrophobicContact CG-CD1 4.11Å; L109-I113 WeakPolarHBondContact O-CG1 3.26Å; L109-I113 PolarHBondContact O-N 3.2Å; Q110-I113 PolarHBondContact O-N 3.38Å; K111-I113 VanDerWaalsContact C-N 3.3Å; K111-I113 PolarHBondContact O-N 3.43Å; I113-D115 VanDerWaalsContact C-N 3.35Å; I113-K117 HydrophobicContact CG2-CD 4.24Å; I113-K117 WeakPolarHBondContact O-CB 3.39Å; I113-K117 WeakPolarHBondContact O-CG 3.4Å; I113-K117 PolarHBondContact O-N 2.64Å; I113-R243 HydrophobicContact CD1-CB 4.17Å; I113-R243 HydrophobicContact CD1-CG 4.26Å; I113-R243 HydrophobicContact CG1-CG 4.13Å; I113-R243 HydrophobicContact CG2-CB 4.23Å; I113-R243 HydrophobicContact CG2-CG 4.08Å; I113-L403 HydrophobicContact CG1-CD1 3.75Å; I113-L403 HydrophobicContact CG1-CD2 3.93Å
114	L	96.9	Very high	96.6	Very high	95 Å²	95	61.1 Å²	61.1	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-65.2	-38.9	177.5	-70.4	172.8	0	0	0	112	Q110 K111 K117 R118	Q110-L114 HydrophobicContact CG-CD1 4.17Å; Q110-L114 VanDerWaalsContact O-CG 3.29Å; Q110-L114 WeakPolarHBondContact O-CG 3.33Å; Q110-L114 PolarHBondContact O-N 2.78Å; K111-L114 PolarHBondContact O-N 2.85Å; K111-L114 VanDerWaalsContact O-N 3.13Å; L114-K117 PolarHBondContact O-N 2.94Å; L114-R118 VanDerWaalsContact O-CB 3.26Å; L114-R118 WeakPolarHBondContact O-CB 3.31Å; L114-R118 PolarHBondContact O-N 3.3Å
115	D	97.2	Very high	96.4	Very high	69 Å²	69	60.5 Å²	60.5	37%	0.369	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-45	177.2	-71.1	-25	0	0	0	111.4	K111 A112 I113 R118 E119	K111-D115 IonicContact NZ-OD1 3.14Å; K111-D115 IonicContact NZ-OD2 2.74Å; K111-D115 PolarHBondContact NZ-OD2 2.85Å; K111-D115 VanDerWaalsContact O-CG 3.31Å; K111-D115 PolarHBondContact O-N 3.01Å; A112-D115 PolarHBondContact O-N 2.74Å; I113-D115 VanDerWaalsContact C-N 3.35Å; D115-R118 PolarHBondContact O-N 3.03Å; D115-E119 PolarHBondContact O-N 3.41Å
116	E	97.3	Very high	96.2	Very high	7 Å²	7	59.5 Å²	59.5	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-56.5	-51.1	172.8	-178.7	-157.8	-113.4	0	0	110.9	A112 R118 E119 N120 W197 R243 L403	A112-E116 PolarHBondContact O-N 3Å; E116-R118 VanDerWaalsContact C-N 3.33Å; E116-R118 PolarHBondContact O-N 3.37Å; E116-E119 PolarHBondContact O-N 2.88Å; E116-N120 VanDerWaalsContact O-CB 3.28Å; E116-N120 WeakPolarHBondContact O-CB 3.46Å; E116-N120 PolarHBondContact O-N 3.28Å; E116-W197 WeakPolarHBondContact OE2-CZ3 3.39Å; E116-R243 IonicContact OE1-CZ 3.88Å; E116-R243 IonicContact OE1-NE 3.83Å; E116-R243 IonicContact OE1-NH2 3.72Å; E116-R243 PolarHBondContact OE1-NH2 2.82Å; E116-R243 IonicContact OE2-CZ 2.64Å; E116-R243 IonicContact OE2-NE 3.86Å; E116-R243 PolarHBondContact OE2-NE 2.93Å; E116-R243 IonicContact OE2-NH2 3.7Å; E116-R243 PolarHBondContact OE2-NH2 3.23Å; E116-L403 WeakPolarHBondContact OE1-CA 3.35Å
117	K	96.8	Very high	95.8	Very high	65 Å²	65	60 Å²	60	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-41.2	179.8	-75.5	-176.4	178.1	-170.4	0	112	I113 L114 N120 H121	I113-K117 HydrophobicContact CG2-CD 4.24Å; I113-K117 WeakPolarHBondContact O-CB 3.39Å; I113-K117 WeakPolarHBondContact O-CG 3.4Å; I113-K117 PolarHBondContact O-N 2.64Å; L114-K117 PolarHBondContact O-N 2.94Å; K117-N120 PolarHBondContact O-N 2.94Å; K117-H121 WeakPolarHBondContact O-CB 3.37Å; K117-H121 PolarHBondContact O-N 3.34Å
118	R	97.7	Very high	95.3	Very high	176 Å²	176	65.1 Å²	65.1	66%	0.664	31%	0.305	S	S	*	.	H	α-helix	trans	-64	-49	177.9	-175.7	-178.2	-179.7	-159.7	1	111.2	L114 D115 E116 N120 H121 L122	L114-R118 VanDerWaalsContact O-CB 3.26Å; L114-R118 WeakPolarHBondContact O-CB 3.31Å; L114-R118 PolarHBondContact O-N 3.3Å; D115-R118 PolarHBondContact O-N 3.03Å; E116-R118 VanDerWaalsContact C-N 3.33Å; E116-R118 PolarHBondContact O-N 3.37Å; R118-N120 VanDerWaalsContact C-N 3.31Å; R118-N120 PolarHBondContact O-N 3.27Å; R118-H121 PolarHBondContact O-N 3.12Å; R118-L122 HydrophobicContact CG-CD1 4.32Å; R118-L122 WeakPolarHBondContact O-CG 3.47Å; R118-L122 PolarHBondContact O-N 3.32Å
119	E	97.3	Very high	94.8	Very high	55 Å²	55	67.6 Å²	67.6	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-60.5	-44.6	176.8	-170.6	-174.6	161.4	0	0	110.8	D115 E116 H121 L122 R123 P405 P406 S407	D115-E119 PolarHBondContact O-N 3.41Å; E116-E119 PolarHBondContact O-N 2.88Å; E119-H121 VanDerWaalsContact C-N 3.35Å; E119-H121 PolarHBondContact O-N 3.06Å; E119-L122 PolarHBondContact O-N 2.83Å; E119-R123 WeakPolarHBondContact O-CG 3.19Å; E119-R123 PolarHBondContact O-N 3.24Å; E119-R123 IonicContact OE1-CZ 2.71Å; E119-R123 IonicContact OE1-NE 2.74Å; E119-R123 PolarHBondContact OE1-NE 2.9Å; E119-R123 IonicContact OE1-NH2 3.76Å; E119-R123 PolarHBondContact OE1-NH2 3.48Å; E119-P405 WeakPolarHBondContact OE2-CB 3.44Å; E119-P406 HydrophobicContact CB-CG 4.12Å; E119-P406 HydrophobicContact CG-CG 3.84Å; E119-S407 VanDerWaalsContact OE1-CB 3.3Å; E119-S407 WeakPolarHBondContact OE1-CB 3.12Å; E119-S407 PolarHBondContact OE1-N 2.83Å; E119-S407 PolarHBondContact OE1-OG 3.33Å
120	N	97.6	Very high	93.9	Very high	12 Å²	12	78.1 Å²	78.1	6%	0.064	36%	0.357	C	S	.	.	H	α-helix	trans	-60.8	-43.8	179.3	-165.5	56.2	0	0	0	112.1	E116 K117 R118 R123 R124 Y137 Y138 P406	E116-N120 VanDerWaalsContact O-CB 3.28Å; E116-N120 WeakPolarHBondContact O-CB 3.46Å; E116-N120 PolarHBondContact O-N 3.28Å; K117-N120 PolarHBondContact O-N 2.94Å; R118-N120 VanDerWaalsContact C-N 3.31Å; R118-N120 PolarHBondContact O-N 3.27Å; N120-R123 PolarHBondContact O-N 3.19Å; N120-R124 WeakPolarHBondContact O-CB 3.41Å; N120-R124 PolarHBondContact O-N 3Å; N120-Y137 WeakPolarHBondContact OD1-CB 3.32Å; N120-Y138 PolarHBondContact ND2-O 3.2Å; N120-Y138 WeakPolarHBondContact OD1-CB 3.3Å; N120-Y138 PolarHBondContact OD1-N 3.35Å; N120-P406 HydrophobicContact CB-CG 4.17Å
121	H	95.7	Very high	92.5	Very high	103 Å²	103	82.1 Å²	82.1	48%	0.477	38%	0.383	S	S	.	.	H	α-helix	trans	-61.8	-48	176.9	-180	80.1	0	0	0	112	K117 R118 E119 R123 R124 V125	K117-H121 WeakPolarHBondContact O-CB 3.37Å; K117-H121 PolarHBondContact O-N 3.34Å; R118-H121 PolarHBondContact O-N 3.12Å; E119-H121 VanDerWaalsContact C-N 3.35Å; E119-H121 PolarHBondContact O-N 3.06Å; H121-R123 VanDerWaalsContact C-N 3.3Å; H121-R123 PolarHBondContact O-N 3.02Å; H121-R124 WeakPolarHBondContact O-CB 3.36Å; H121-R124 PolarHBondContact O-N 3.1Å; H121-V125 WeakPolarHBondContact O-CG2 3.4Å; H121-V125 PolarHBondContact O-N 3.49Å
122	L	94.5	Very high	90.7	Very high	104 Å²	104	79.2 Å²	79.2	55%	0.545	39%	0.385	S	S	.	.	H	α-helix	trans	-60.8	-39.8	179	-69.4	172.6	0	0	0	112	R118 E119 S126	R118-L122 HydrophobicContact CG-CD1 4.32Å; R118-L122 WeakPolarHBondContact O-CG 3.47Å; R118-L122 PolarHBondContact O-N 3.32Å; E119-L122 PolarHBondContact O-N 2.83Å; L122-S126 WeakPolarHBondContact O-CB 3.46Å; L122-S126 PolarHBondContact O-N 2.73Å
123	R	95	Very high	89.2	Confident	43 Å²	43	88.7 Å²	88.7	16%	0.162	41%	0.414	C	S	.	.	H	α-helix	trans	-67.8	-41.1	175.8	-70.5	172.5	174.3	-78.6	-11.7	112.3	E119 N120 H121 S126 S127 R135 P136	E119-R123 WeakPolarHBondContact O-CG 3.19Å; E119-R123 PolarHBondContact O-N 3.24Å; E119-R123 IonicContact OE1-CZ 2.71Å; E119-R123 IonicContact OE1-NE 2.74Å; E119-R123 PolarHBondContact OE1-NE 2.9Å; E119-R123 IonicContact OE1-NH2 3.76Å; E119-R123 PolarHBondContact OE1-NH2 3.48Å; N120-R123 PolarHBondContact O-N 3.19Å; H121-R123 VanDerWaalsContact C-N 3.3Å; H121-R123 PolarHBondContact O-N 3.02Å; R123-S126 PolarHBondContact O-N 3.3Å; R123-S127 WeakPolarHBondContact O-CB 3.4Å; R123-S127 PolarHBondContact O-N 2.97Å; R123-R135 HydrophobicContact CG-CB 4.39Å; R123-P136 WeakPolarHBondContact CD-O 3.45Å
124	R	94.4	Very high	88.2	Confident	108 Å²	108	94.8 Å²	94.8	41%	0.408	45%	0.447	S	S	.	.	H	α-helix	trans	-58.9	-49.4	174.3	178.9	179.7	177.7	-105.9	-2.8	111.6	N120 H121 S127 Y128 Y137 E143	N120-R124 WeakPolarHBondContact O-CB 3.41Å; N120-R124 PolarHBondContact O-N 3Å; H121-R124 WeakPolarHBondContact O-CB 3.36Å; H121-R124 PolarHBondContact O-N 3.1Å; R124-S127 WeakPolarHBondContact O-CB 3.32Å; R124-S127 PolarHBondContact O-N 2.93Å; R124-Y128 PolarHBondContact O-N 3.41Å; R124-Y128 VanDerWaalsContact O-N 3.1Å; R124-Y137 HydrophobicContact CB-CD1 4.47Å; R124-Y137 HydrophobicContact CB-CD2 3.71Å; R124-Y137 HydrophobicContact CB-CE2 3.78Å; R124-Y137 HydrophobicContact CB-CG 4.07Å; R124-Y137 HydrophobicContact CG-CD2 4.08Å; R124-Y137 HydrophobicContact CG-CE2 3.61Å; R124-E143 IonicContact CZ-OE1 3.93Å; R124-E143 IonicContact NE-OE1 3.99Å; R124-E143 PolarHBondContact NE-OE1 3.04Å; R124-E143 IonicContact NE-OE2 3.65Å; R124-E143 IonicContact NH2-OE1 2.7Å; R124-E143 PolarHBondContact NH2-OE1 2.97Å
125	V	92.6	Very high	87.7	Confident	58 Å²	58	96.8 Å²	96.8	35%	0.352	45%	0.448	S	S	.	.	H	α-helix	trans	-61.2	-46.2	178.2	171.9	0	0	0	0	111.1	H121 S127 Y128 L129	H121-V125 WeakPolarHBondContact O-CG2 3.4Å; H121-V125 PolarHBondContact O-N 3.49Å; V125-S127 VanDerWaalsContact C-N 3.29Å; V125-S127 PolarHBondContact O-N 3.37Å; V125-Y128 PolarHBondContact O-N 2.92Å; V125-Y128 VanDerWaalsContact O-N 3.15Å; V125-L129 HydrophobicContact CG1-CD1 3.72Å; V125-L129 HydrophobicContact CG1-CG 4.27Å; V125-L129 WeakPolarHBondContact O-CG 3.32Å; V125-L129 PolarHBondContact O-N 2.92Å
126	S	90.4	Very high	87.5	Confident	21 Å²	21	95.7 Å²	95.7	15%	0.147	45%	0.445	C	S	.	.	H	α-helix	trans	-60.4	-37.3	176.6	179.9	0	0	0	0	112.7	L122 R123 R130	L122-S126 WeakPolarHBondContact O-CB 3.46Å; L122-S126 PolarHBondContact O-N 2.73Å; R123-S126 PolarHBondContact O-N 3.3Å; S126-R130 PolarHBondContact O-N 3.04Å
127	S	88.3	Confident	87.5	Confident	34 Å²	34	96.6 Å²	96.6	24%	0.238	45%	0.448	C	S	.	.	H	α-helix	trans	-64.1	-39.9	175.2	-175.2	0	0	0	0	112.3	R123 R124 V125 N134	R123-S127 WeakPolarHBondContact O-CB 3.4Å; R123-S127 PolarHBondContact O-N 2.97Å; R124-S127 WeakPolarHBondContact O-CB 3.32Å; R124-S127 PolarHBondContact O-N 2.93Å; V125-S127 VanDerWaalsContact C-N 3.29Å; V125-S127 PolarHBondContact O-N 3.37Å; S127-N134 PolarHBondContact OG-OD1 2.93Å
128	Y	85.7	Confident	87.6	Confident	198 Å²	198	93.6 Å²	93.6	78%	0.776	44%	0.435	S	S	*	.	H	α-helix	trans	-72.5	-44.8	-179.9	-175.4	-99.5	0	0	0	112.2	R124 V125 R130	R124-Y128 PolarHBondContact O-N 3.41Å; R124-Y128 VanDerWaalsContact O-N 3.1Å; V125-Y128 PolarHBondContact O-N 2.92Å; V125-Y128 VanDerWaalsContact O-N 3.15Å; Y128-R130 PolarHBondContact O-N 3.36Å
129	L	86	Confident	87.6	Confident	106 Å²	106	87.2 Å²	87.2	56%	0.555	41%	0.412	S	S	*	.	H	α-helix	trans	-72.9	-8.9	179.8	-62.5	176.6	0	0	0	113.4	V125 T131	V125-L129 HydrophobicContact CG1-CD1 3.72Å; V125-L129 HydrophobicContact CG1-CG 4.27Å; V125-L129 WeakPolarHBondContact O-CG 3.32Å; V125-L129 PolarHBondContact O-N 2.92Å; L129-T131 HydrophobicContact CB-CG2 3.63Å; L129-T131 PolarHBondContact O-N 3.44Å; L129-T131 VanDerWaalsContact O-N 3.07Å
130	R	79.9	Confident	87.7	Confident	222 Å²	222	85.5 Å²	85.5	84%	0.838	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	26.1	-176.3	-55.7	175	72.6	149	-0.1	113	S126 Y128 G132	S126-R130 PolarHBondContact O-N 3.04Å; Y128-R130 PolarHBondContact O-N 3.36Å; R130-G132 PolarHBondContact O-N 2.88Å
131	T	66.9	Low	87.7	Confident	103 Å²	103	85.2 Å²	85.2	63%	0.632	40%	0.404	S	S	*	.			trans	-77.5	20.1	-173.7	47.9	0	0	0	0	114.2	L129	L129-T131 HydrophobicContact CB-CG2 3.63Å; L129-T131 PolarHBondContact O-N 3.44Å; L129-T131 VanDerWaalsContact O-N 3.07Å
132	G	59.8	Low	87.9	Confident	51 Å²	51	85 Å²	85	53%	0.526	41%	0.407	S	S	.	.	S	Bend	trans	168.9	-166.6	-179.2	0	0	0	0	0	113.4	R130 N134	R130-G132 PolarHBondContact O-N 2.88Å; G132-N134 PolarHBondContact O-N 3.34Å
133	R	65.9	Low	88	Confident	228 Å²	228	81.3 Å²	81.3	86%	0.86	39%	0.387	S	S	*	.	S	Bend	trans	-54.3	134.3	172.9	-69.3	-177.2	-179.3	149.7	1.4	109.1	R135	R133-R135 WeakPolarHBondContact O-CG 3.29Å; R133-R135 PolarHBondContact O-N 3.43Å
134	N	75.4	Confident	88.2	Confident	133 Å²	133	79.4 Å²	79.4	71%	0.711	38%	0.38	S	S	*	.			trans	-57.5	102.4	175.3	-172.5	8.8	0	0	0	109.8	S127 G132	S127-N134 PolarHBondContact OG-OD1 2.93Å; G132-N134 PolarHBondContact O-N 3.34Å
135	R	87.5	Confident	88.4	Confident	136 Å²	136	75.3 Å²	75.3	51%	0.513	37%	0.367	S	S	.	.			trans	-91.2	124	-176.8	-77.1	175	-175	180	2.2	108.7	R123 R133	R123-R135 HydrophobicContact CG-CB 4.39Å; R133-R135 WeakPolarHBondContact O-CG 3.29Å; R133-R135 PolarHBondContact O-N 3.43Å
136	P	93.5	Very high	88.6	Confident	46 Å²	46	78 Å²	78	30%	0.299	38%	0.376	S	S	.	.			trans	-64.9	150.3	177.4	29	-34.9	0	0	0	110.7	R123 I409	R123-P136 WeakPolarHBondContact CD-O 3.45Å; P136-I409 HydrophobicContact CB-CB 3.85Å; P136-I409 HydrophobicContact CB-CD1 4.23Å; P136-I409 HydrophobicContact CB-CG2 3.65Å; P136-I409 HydrophobicContact CG-CB 4Å; P136-I409 HydrophobicContact CG-CG2 4.22Å
137	Y	97.4	Very high	88.9	Confident	26 Å²	26	79.5 Å²	79.5	10%	0.102	38%	0.378	C	S	.	.			trans	-152	160.2	178.6	71.6	-86.3	0	0	0	109	N120 R124 K139 E143	N120-Y137 WeakPolarHBondContact OD1-CB 3.32Å; R124-Y137 HydrophobicContact CB-CD1 4.47Å; R124-Y137 HydrophobicContact CB-CD2 3.71Å; R124-Y137 HydrophobicContact CB-CE2 3.78Å; R124-Y137 HydrophobicContact CB-CG 4.07Å; R124-Y137 HydrophobicContact CG-CD2 4.08Å; R124-Y137 HydrophobicContact CG-CE2 3.61Å; Y137-K139 HydrophobicContact CD2-CG 4.24Å; Y137-K139 HydrophobicContact CE1-CG 4.34Å; Y137-K139 HydrophobicContact CE2-CB 4.33Å; Y137-K139 HydrophobicContact CE2-CG 3.6Å; Y137-K139 PolarHBondContact O-N 2.89Å; Y137-E143 PolarHBondContact OH-OE1 3.45Å
138	Y	98.4	Very high	89.4	Confident	3 Å²	3	77.9 Å²	77.9	1%	0.012	37%	0.367	C	S	.	.			trans	-73.8	104.1	173.6	-59.9	-60.7	0	0	0	110.3	N120 W197 I198 A201 R239 L404 P406 I409	N120-Y138 PolarHBondContact ND2-O 3.2Å; N120-Y138 WeakPolarHBondContact OD1-CB 3.3Å; N120-Y138 PolarHBondContact OD1-N 3.35Å; Y138-W197 HydrophobicContact CD1-CB 3.68Å; Y138-W197 WeakPolarHBondContact CD1-O 3.3Å; Y138-W197 HydrophobicContact CD2-CB 4.49Å; Y138-W197 AromaticContact CD2-CE3 3.7Å; Y138-W197 HydrophobicContact CD2-CE3 3.7Å; Y138-W197 HydrophobicContact CD2-CZ3 4.41Å; Y138-W197 VanDerWaalsContact CE1-C 3.47Å; Y138-W197 HydrophobicContact CE1-CB 3.81Å; Y138-W197 VanDerWaalsContact CE1-O 3.28Å; Y138-W197 WeakPolarHBondContact CE1-O 3.39Å; Y138-W197 HydrophobicContact CE2-CE3 4.43Å; Y138-W197 HydrophobicContact CG-CB 4.05Å; Y138-W197 HydrophobicContact CG-CD2 4.48Å; Y138-W197 AromaticContact CG-CE3 3.77Å; Y138-W197 HydrophobicContact CG-CE3 3.77Å; Y138-I198 HydrophobicContact CE1-CB 4.5Å; Y138-I198 HydrophobicContact CE1-CD1 4.38Å; Y138-A201 HydrophobicContact CD1-CB 3.83Å; Y138-A201 HydrophobicContact CE1-CB 3.82Å; Y138-R239 PolarHBondContact O-NH1 2.88Å; Y138-L404 WeakPolarHBondContact CE2-O 3.22Å; Y138-L404 PolarHBondContact OH-O 2.72Å; Y138-P406 HydrophobicContact CD2-CB 3.91Å; Y138-P406 HydrophobicContact CD2-CG 4.5Å; Y138-P406 HydrophobicContact CE2-CB 3.82Å; Y138-P406 HydrophobicContact CE2-CG 4.41Å; Y138-I409 HydrophobicContact CD1-CD1 3.83Å; Y138-I409 HydrophobicContact CD1-CG1 4.4Å; Y138-I409 HydrophobicContact CE1-CD1 3.66Å; Y138-I409 HydrophobicContact CE1-CG1 3.75Å; Y138-I409 HydrophobicContact CE2-CD1 4.4Å; Y138-I409 HydrophobicContact CG-CD1 4.24Å
139	K	98.4	Very high	89.9	Confident	41 Å²	41	71.1 Å²	71.1	18%	0.178	34%	0.344	C	S	.	.			trans	-72.9	145.1	177.6	-74.6	179.5	178.1	57.9	0	111.6	Y137 E143 I144 L204 Y235 R239	Y137-K139 HydrophobicContact CD2-CG 4.24Å; Y137-K139 HydrophobicContact CE1-CG 4.34Å; Y137-K139 HydrophobicContact CE2-CB 4.33Å; Y137-K139 HydrophobicContact CE2-CG 3.6Å; Y137-K139 PolarHBondContact O-N 2.89Å; K139-E143 WeakPolarHBondContact CA-OE2 3.3Å; K139-E143 HydrophobicContact CB-CB 3.82Å; K139-E143 HydrophobicContact CD-CB 4.36Å; K139-E143 HydrophobicContact CG-CB 4.09Å; K139-I144 HydrophobicContact CB-CD1 4.33Å; K139-I144 HydrophobicContact CB-CG1 3.62Å; K139-I144 HydrophobicContact CD-CG1 4.4Å; K139-L204 HydrophobicContact CD-CD1 4.42Å; K139-Y235 WeakPolarHBondContact O-CE1 3.39Å; K139-Y235 PolarHBondContact O-OH 2.91Å; K139-R239 PolarHBondContact O-NH1 3.22Å; K139-R239 VanDerWaalsContact O-NH1 3.07Å
140	S	98.4	Very high	90.3	Very high	19 Å²	19	71.5 Å²	71.5	13%	0.133	34%	0.343	C	S	.	.			trans	-65	161.7	164.1	66	0	0	0	0	110.4	N142 E143 I144 E236 R239	S140-N142 PolarHBondContact O-N 3.04Å; S140-E143 PolarHBondContact N-OE2 3.17Å; S140-E143 CarbonylContact O-C 3.58Å; S140-E143 WeakPolarHBondContact O-CB 3.41Å; S140-E143 PolarHBondContact O-N 2.93Å; S140-E143 VanDerWaalsContact O-N 3.07Å; S140-E143 WeakPolarHBondContact OG-CG 3.43Å; S140-E143 PolarHBondContact OG-N 2.88Å; S140-I144 VanDerWaalsContact O-CG1 3.3Å; S140-I144 WeakPolarHBondContact O-CG1 3.48Å; S140-I144 PolarHBondContact O-N 3.18Å; S140-E236 WeakPolarHBondContact CA-OE1 3.14Å; S140-E236 WeakPolarHBondContact CB-OE1 3.34Å; S140-R239 VanDerWaalsContact N-CZ 3.26Å
141	F	98.6	Very high	91	Very high	7 Å²	7	61.5 Å²	61.5	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-52.3	-45.8	173.2	179.1	-107.6	0	0	0	111.2	E143 I144 V145 R170 P171 K173 V229 P232 Y235 E236	F141-E143 PolarHBondContact O-N 3.01Å; F141-I144 WeakPolarHBondContact O-CA 3.36Å; F141-I144 WeakPolarHBondContact O-CB 3.37Å; F141-I144 PolarHBondContact O-N 3.38Å; F141-V145 HydrophobicContact CD1-CG2 4.19Å; F141-V145 HydrophobicContact CD2-CG2 4.43Å; F141-V145 HydrophobicContact CE1-CG2 3.69Å; F141-V145 HydrophobicContact CE2-CG2 3.94Å; F141-V145 HydrophobicContact CZ-CG2 3.53Å; F141-V145 WeakPolarHBondContact O-CG2 3.36Å; F141-V145 PolarHBondContact O-N 2.78Å; F141-R170 HydrophobicContact CE1-CB 4.22Å; F141-P171 HydrophobicContact CZ-CG 4.47Å; F141-P171 VanDerWaalsContact CZ-O 3.22Å; F141-P171 WeakPolarHBondContact CZ-O 3.41Å; F141-K173 HydrophobicContact CZ-CG 4.45Å; F141-V229 HydrophobicContact CD2-CB 4.29Å; F141-V229 HydrophobicContact CD2-CG1 4.4Å; F141-V229 HydrophobicContact CD2-CG2 4.42Å; F141-P232 HydrophobicContact CD1-CB 4.29Å; F141-P232 HydrophobicContact CD2-CB 3.79Å; F141-P232 HydrophobicContact CD2-CG 4.1Å; F141-P232 HydrophobicContact CE1-CB 4.21Å; F141-P232 HydrophobicContact CE2-CB 3.72Å; F141-P232 HydrophobicContact CE2-CG 3.62Å; F141-P232 HydrophobicContact CG-CB 4.09Å; F141-P232 HydrophobicContact CZ-CB 3.95Å; F141-P232 HydrophobicContact CZ-CG 3.96Å; F141-Y235 HydrophobicContact CB-CD1 4.29Å; F141-E236 HydrophobicContact CB-CG 3.66Å; F141-E236 VanDerWaalsContact CB-OE1 3.3Å; F141-E236 WeakPolarHBondContact CB-OE1 3.49Å; F141-E236 PolarHBondContact N-OE1 3.15Å
142	N	98.3	Very high	92.4	Very high	98 Å²	98	57.9 Å²	57.9	52%	0.524	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-40.8	176.3	-70.4	-7.3	0	0	0	112.7	S140 I144 V145 Q146	S140-N142 PolarHBondContact O-N 3.04Å; N142-I144 VanDerWaalsContact C-N 3.29Å; N142-I144 PolarHBondContact O-N 2.82Å; N142-V145 PolarHBondContact O-N 2.96Å; N142-Q146 WeakPolarHBondContact O-CB 3.25Å; N142-Q146 VanDerWaalsContact O-CG 3.25Å; N142-Q146 WeakPolarHBondContact O-CG 3.44Å; N142-Q146 PolarHBondContact O-N 3.08Å
143	E	98.1	Very high	94.1	Very high	26 Å²	26	63.3 Å²	63.3	12%	0.121	30%	0.297	C	S	.	.	H	α-helix	trans	-66.6	-32	174.5	-72.2	177.1	130.8	0	0	112.1	R124 Y137 K139 S140 F141 Y147	R124-E143 IonicContact CZ-OE1 3.93Å; R124-E143 IonicContact NE-OE1 3.99Å; R124-E143 PolarHBondContact NE-OE1 3.04Å; R124-E143 IonicContact NE-OE2 3.65Å; R124-E143 IonicContact NH2-OE1 2.7Å; R124-E143 PolarHBondContact NH2-OE1 2.97Å; Y137-E143 PolarHBondContact OH-OE1 3.45Å; K139-E143 WeakPolarHBondContact CA-OE2 3.3Å; K139-E143 HydrophobicContact CB-CB 3.82Å; K139-E143 HydrophobicContact CD-CB 4.36Å; K139-E143 HydrophobicContact CG-CB 4.09Å; S140-E143 PolarHBondContact N-OE2 3.17Å; S140-E143 CarbonylContact O-C 3.58Å; S140-E143 WeakPolarHBondContact O-CB 3.41Å; S140-E143 PolarHBondContact O-N 2.93Å; S140-E143 VanDerWaalsContact O-N 3.07Å; S140-E143 WeakPolarHBondContact OG-CG 3.43Å; S140-E143 PolarHBondContact OG-N 2.88Å; F141-E143 PolarHBondContact O-N 3.01Å; E143-Y147 WeakPolarHBondContact O-CB 3.5Å; E143-Y147 PolarHBondContact O-N 2.8Å
144	I	98.6	Very high	95.4	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-67.1	-51.4	174.3	-67.7	174.6	0	0	0	109.8	K139 S140 F141 N142 Q146 Y147 L148 P200 L204 P228 V229 Y235	K139-I144 HydrophobicContact CB-CD1 4.33Å; K139-I144 HydrophobicContact CB-CG1 3.62Å; K139-I144 HydrophobicContact CD-CG1 4.4Å; S140-I144 VanDerWaalsContact O-CG1 3.3Å; S140-I144 WeakPolarHBondContact O-CG1 3.48Å; S140-I144 PolarHBondContact O-N 3.18Å; F141-I144 WeakPolarHBondContact O-CA 3.36Å; F141-I144 WeakPolarHBondContact O-CB 3.37Å; F141-I144 PolarHBondContact O-N 3.38Å; N142-I144 VanDerWaalsContact C-N 3.29Å; N142-I144 PolarHBondContact O-N 2.82Å; I144-Q146 PolarHBondContact O-N 3.04Å; I144-Y147 WeakPolarHBondContact O-CB 3.21Å; I144-Y147 PolarHBondContact O-N 2.93Å; I144-L148 HydrophobicContact CG2-CD1 3.94Å; I144-L148 HydrophobicContact CG2-CG 4.33Å; I144-L148 VanDerWaalsContact O-CG 3.29Å; I144-L148 WeakPolarHBondContact O-CG 3.42Å; I144-L148 PolarHBondContact O-N 3.17Å; I144-P200 HydrophobicContact CD1-CB 4.5Å; I144-L204 HydrophobicContact CD1-CD1 4Å; I144-L204 HydrophobicContact CG1-CD1 3.75Å; I144-L204 HydrophobicContact CG2-CD1 4.39Å; I144-L204 HydrophobicContact CG2-CD2 4Å; I144-P228 HydrophobicContact CG2-CB 4.44Å; I144-V229 HydrophobicContact CD1-CG2 3.68Å; I144-Y235 HydrophobicContact CD1-CE1 4.21Å
145	V	98.5	Very high	96.1	Very high	22 Å²	22	57.4 Å²	57.4	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-54.9	-53.2	177.4	173.9	0	0	0	0	110.3	F141 N142 Y147 L148 D149 K173	F141-V145 HydrophobicContact CD1-CG2 4.19Å; F141-V145 HydrophobicContact CD2-CG2 4.43Å; F141-V145 HydrophobicContact CE1-CG2 3.69Å; F141-V145 HydrophobicContact CE2-CG2 3.94Å; F141-V145 HydrophobicContact CZ-CG2 3.53Å; F141-V145 WeakPolarHBondContact O-CG2 3.36Å; F141-V145 PolarHBondContact O-N 2.78Å; N142-V145 PolarHBondContact O-N 2.96Å; V145-Y147 VanDerWaalsContact C-N 3.3Å; V145-Y147 PolarHBondContact O-N 3.32Å; V145-L148 PolarHBondContact O-N 3.13Å; V145-L148 VanDerWaalsContact O-N 3.1Å; V145-D149 WeakPolarHBondContact CG1-OD2 3.47Å; V145-D149 PolarHBondContact O-N 3.09Å; V145-K173 HydrophobicContact CG2-CG 3.96Å
146	Q	97.5	Very high	96.3	Very high	115 Å²	115	56.6 Å²	56.6	54%	0.537	29%	0.287	S	S	.	.	H	α-helix	trans	-58.3	-41.4	178.6	-72.3	173.2	-1.7	0	0	112.6	N142 I144 Q150	N142-Q146 WeakPolarHBondContact O-CB 3.25Å; N142-Q146 VanDerWaalsContact O-CG 3.25Å; N142-Q146 WeakPolarHBondContact O-CG 3.44Å; N142-Q146 PolarHBondContact O-N 3.08Å; I144-Q146 PolarHBondContact O-N 3.04Å; Q146-Q150 WeakPolarHBondContact O-CB 3.44Å; Q146-Q150 WeakPolarHBondContact O-CG 3.34Å; Q146-Q150 PolarHBondContact O-N 2.89Å
147	Y	96.4	Very high	96.2	Very high	51 Å²	51	56.3 Å²	56.3	20%	0.2	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-41.8	176.9	168.8	-103.3	0	0	0	112.2	E143 I144 V145 L151 L204 N208	E143-Y147 WeakPolarHBondContact O-CB 3.5Å; E143-Y147 PolarHBondContact O-N 2.8Å; I144-Y147 WeakPolarHBondContact O-CB 3.21Å; I144-Y147 PolarHBondContact O-N 2.93Å; V145-Y147 VanDerWaalsContact C-N 3.3Å; V145-Y147 PolarHBondContact O-N 3.32Å; Y147-L151 HydrophobicContact CE1-CD2 4.37Å; Y147-L151 VanDerWaalsContact O-CB 3.26Å; Y147-L151 WeakPolarHBondContact O-CB 3.4Å; Y147-L151 PolarHBondContact O-N 3.08Å; Y147-L204 HydrophobicContact CD1-CD2 4.01Å; Y147-L204 HydrophobicContact CE1-CD2 4.08Å; Y147-N208 PolarHBondContact OH-ND2 2.93Å
148	L	98	Very high	96.2	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-67.6	-43.6	178.4	-66.7	176	0	0	0	111.5	I144 V145 L151 S152 M158 V160 K173 V175 L204 I207 P228	I144-L148 HydrophobicContact CG2-CD1 3.94Å; I144-L148 HydrophobicContact CG2-CG 4.33Å; I144-L148 VanDerWaalsContact O-CG 3.29Å; I144-L148 WeakPolarHBondContact O-CG 3.42Å; I144-L148 PolarHBondContact O-N 3.17Å; V145-L148 PolarHBondContact O-N 3.13Å; V145-L148 VanDerWaalsContact O-N 3.1Å; L148-L151 PolarHBondContact O-N 2.85Å; L148-S152 WeakPolarHBondContact O-CB 3.5Å; L148-S152 PolarHBondContact O-N 2.9Å; L148-S152 PolarHBondContact O-OG 2.88Å; L148-M158 VanDerWaalsContact O-CE 3.32Å; L148-M158 WeakPolarHBondContact O-CE 3.46Å; L148-V160 HydrophobicContact CB-CG2 3.9Å; L148-K173 HydrophobicContact CD1-CB 4.43Å; L148-V175 HydrophobicContact CD1-CG2 3.8Å; L148-V175 HydrophobicContact CD2-CG2 3.8Å; L148-V175 HydrophobicContact CG-CG2 4.31Å; L148-L204 HydrophobicContact CD2-CD2 4.04Å; L148-I207 HydrophobicContact CD2-CD1 3.86Å; L148-P228 HydrophobicContact CD1-CG 4.16Å
149	D	96.6	Very high	96.2	Very high	56 Å²	56	62.3 Å²	62.3	30%	0.299	31%	0.308	S	S	.	.	H	α-helix	trans	-64	-44.1	178.2	-67.9	-21.2	0	0	0	111.6	V145 L151 S152 Q153	V145-D149 WeakPolarHBondContact CG1-OD2 3.47Å; V145-D149 PolarHBondContact O-N 3.09Å; D149-L151 VanDerWaalsContact C-N 3.33Å; D149-L151 PolarHBondContact O-N 2.92Å; D149-S152 PolarHBondContact O-N 2.82Å; D149-S152 PolarHBondContact O-OG 3.43Å; D149-Q153 VanDerWaalsContact O-CG 3.31Å; D149-Q153 WeakPolarHBondContact O-CG 3.36Å; D149-Q153 PolarHBondContact O-N 3.02Å
150	Q	95.3	Very high	96.2	Very high	113 Å²	113	62 Å²	62	53%	0.528	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-43.2	174.2	-74.8	173.6	0.6	0	0	111.5	Q146 S152 M154	Q146-Q150 WeakPolarHBondContact O-CB 3.44Å; Q146-Q150 WeakPolarHBondContact O-CG 3.34Å; Q146-Q150 PolarHBondContact O-N 2.89Å; Q150-S152 VanDerWaalsContact C-N 3.32Å; Q150-S152 PolarHBondContact O-N 2.95Å; Q150-M154 WeakPolarHBondContact O-CE 3.33Å; Q150-M154 WeakPolarHBondContact O-CG 3.49Å; Q150-M154 PolarHBondContact O-N 3.01Å
151	L	94.4	Very high	96.1	Very high	12 Å²	12	64 Å²	64	6%	0.063	32%	0.317	C	S	.	.	H	α-helix	trans	-68.3	-33.3	-178.8	-175.6	64.6	0	0	0	111.8	Y147 L148 D149 M154 R155 M158 I207 M211	Y147-L151 HydrophobicContact CE1-CD2 4.37Å; Y147-L151 VanDerWaalsContact O-CB 3.26Å; Y147-L151 WeakPolarHBondContact O-CB 3.4Å; Y147-L151 PolarHBondContact O-N 3.08Å; L148-L151 PolarHBondContact O-N 2.85Å; D149-L151 VanDerWaalsContact C-N 3.33Å; D149-L151 PolarHBondContact O-N 2.92Å; L151-M154 HydrophobicContact CD1-CE 4.19Å; L151-M154 PolarHBondContact O-N 3.29Å; L151-R155 HydrophobicContact CD1-CG 3.83Å; L151-R155 HydrophobicContact CG-CG 4.31Å; L151-R155 WeakPolarHBondContact O-CB 3.32Å; L151-R155 VanDerWaalsContact O-CG 3.28Å; L151-R155 WeakPolarHBondContact O-CG 3.29Å; L151-R155 PolarHBondContact O-N 2.87Å; L151-R155 VanDerWaalsContact O-N 3.13Å; L151-M158 VanDerWaalsContact C-CE 3.5Å; L151-M158 HydrophobicContact CB-CE 3.58Å; L151-M158 HydrophobicContact CD2-CE 3.84Å; L151-M158 HydrophobicContact CD2-SD 3.89Å; L151-M158 HydrophobicContact CG-CE 3.57Å; L151-M158 HydrophobicContact CG-SD 4.03Å; L151-I207 HydrophobicContact CD2-CG2 3.7Å; L151-M211 HydrophobicContact CD1-CG 4.32Å; L151-M211 HydrophobicContact CD2-CG 4.21Å
152	S	95.5	Very high	96.1	Very high	28 Å²	28	67 Å²	67	20%	0.196	33%	0.334	C	S	.	.	H	α-helix	trans	-72.4	-37.2	-179.2	69.2	0	0	0	0	111.5	L148 D149 Q150 M154 R155	L148-S152 WeakPolarHBondContact O-CB 3.5Å; L148-S152 PolarHBondContact O-N 2.9Å; L148-S152 PolarHBondContact O-OG 2.88Å; D149-S152 PolarHBondContact O-N 2.82Å; D149-S152 PolarHBondContact O-OG 3.43Å; Q150-S152 VanDerWaalsContact C-N 3.32Å; Q150-S152 PolarHBondContact O-N 2.95Å; S152-M154 PolarHBondContact O-N 2.83Å; S152-R155 PolarHBondContact O-N 2.86Å
153	Q	94.8	Very high	96.1	Very high	164 Å²	164	63.5 Å²	63.5	77%	0.766	31%	0.314	S	S	*	.	H	α-helix	trans	-60.3	-33.4	171.7	-69.5	171.8	3.3	0	0	112.5	D149	D149-Q153 VanDerWaalsContact O-CG 3.31Å; D149-Q153 WeakPolarHBondContact O-CG 3.36Å; D149-Q153 PolarHBondContact O-N 3.02Å
154	M	93	Very high	96.1	Very high	129 Å²	129	62.9 Å²	62.9	64%	0.635	31%	0.314	S	S	*	.	H	α-helix	trans	-86.5	-15.1	-180	-67.6	-173.6	-69.5	0	0	114.2	Q150 L151 S152	Q150-M154 WeakPolarHBondContact O-CE 3.33Å; Q150-M154 WeakPolarHBondContact O-CG 3.49Å; Q150-M154 PolarHBondContact O-N 3.01Å; L151-M154 HydrophobicContact CD1-CE 4.19Å; L151-M154 PolarHBondContact O-N 3.29Å; S152-M154 PolarHBondContact O-N 2.83Å
155	R	92	Very high	96.1	Very high	108 Å²	108	69 Å²	69	41%	0.408	34%	0.338	S	S	.	.			trans	-133.2	95.5	-168.1	-58.5	-66.4	-178	-171.7	0.3	110.1	L151 S152 H157 M158 M211	L151-R155 HydrophobicContact CD1-CG 3.83Å; L151-R155 HydrophobicContact CG-CG 4.31Å; L151-R155 WeakPolarHBondContact O-CB 3.32Å; L151-R155 VanDerWaalsContact O-CG 3.28Å; L151-R155 WeakPolarHBondContact O-CG 3.29Å; L151-R155 PolarHBondContact O-N 2.87Å; L151-R155 VanDerWaalsContact O-N 3.13Å; S152-R155 PolarHBondContact O-N 2.86Å; R155-H157 PolarHBondContact O-N 2.98Å; R155-M158 HydrophobicContact CB-CB 4.14Å; R155-M158 PolarHBondContact O-N 2.84Å; R155-M211 HydrophobicContact CB-SD 3.99Å; R155-M211 HydrophobicContact CG-SD 3.68Å
156	S	90.3	Very high	96.1	Very high	119 Å²	119	68.1 Å²	68.1	83%	0.832	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.6	-175.7	55.8	0	0	0	0	115.9	M158	S156-M158 VanDerWaalsContact C-N 3.32Å
157	H	93	Very high	96.1	Very high	40 Å²	40	64.8 Å²	64.8	19%	0.185	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	6.6	176.4	59.5	-83.3	0	0	0	113.2	R155 I177 S178 M211	R155-H157 PolarHBondContact O-N 2.98Å; H157-I177 CarbonylContact O-C 3.5Å; H157-I177 WeakPolarHBondContact O-CA 3.22Å; H157-S178 VanDerWaalsContact CB-O 3.26Å; H157-S178 WeakPolarHBondContact CB-O 3.48Å; H157-S178 PolarHBondContact O-N 2.71Å; H157-M211 WeakPolarHBondContact NE2-CE 3.45Å
158	M	97	Very high	96.2	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.025	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.5	175.7	-172.2	174.3	96.2	0	0	110.5	L148 L151 R155 S156 V160 V175 M176 I177 I207	L148-M158 VanDerWaalsContact O-CE 3.32Å; L148-M158 WeakPolarHBondContact O-CE 3.46Å; L151-M158 VanDerWaalsContact C-CE 3.5Å; L151-M158 HydrophobicContact CB-CE 3.58Å; L151-M158 HydrophobicContact CD2-CE 3.84Å; L151-M158 HydrophobicContact CD2-SD 3.89Å; L151-M158 HydrophobicContact CG-CE 3.57Å; L151-M158 HydrophobicContact CG-SD 4.03Å; R155-M158 HydrophobicContact CB-CB 4.14Å; R155-M158 PolarHBondContact O-N 2.84Å; S156-M158 VanDerWaalsContact C-N 3.32Å; M158-V160 HydrophobicContact CE-CG2 4.16Å; M158-V175 HydrophobicContact CE-CG1 4.27Å; M158-V175 HydrophobicContact CG-CG1 3.55Å; M158-V175 HydrophobicContact SD-CG1 3.56Å; M158-V175 VanDerWaalsContact SD-CG1 3.56Å; M158-M176 CarbonylContact C-O 3.55Å; M158-M176 WeakPolarHBondContact CA-O 3.45Å; M158-I177 HydrophobicContact CB-CG1 4.39Å; M158-I177 HydrophobicContact CG-CG1 3.86Å; M158-I177 HydrophobicContact SD-CD1 4.39Å; M158-I177 HydrophobicContact SD-CG1 4.2Å; M158-I207 HydrophobicContact SD-CG2 4.13Å
159	K	97.4	Very high	96.3	Very high	151 Å²	151	69 Å²	69	66%	0.657	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	133.3	174.8	-64	-178.3	-179.9	179.8	0	109.4	V175 M176	K159-V175 CarbonylContact O-C 3.6Å; K159-V175 WeakPolarHBondContact O-CA 3.35Å; K159-M176 PolarHBondContact N-O 2.91Å; K159-M176 PolarHBondContact O-N 3.39Å
160	V	98.1	Very high	96.4	Very high	33 Å²	33	69.4 Å²	69.4	20%	0.2	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.2	172.4	179.3	0	0	0	0	107.2	L148 M158 K173 G174 V175	L148-V160 HydrophobicContact CB-CG2 3.9Å; M158-V160 HydrophobicContact CE-CG2 4.16Å; V160-K173 HydrophobicContact CG1-CD 4.24Å; V160-G174 WeakPolarHBondContact CA-O 3.17Å; V160-V175 HydrophobicContact CG2-CG2 4.43Å
161	E	97.8	Very high	96.5	Very high	63 Å²	63	65.4 Å²	65.4	29%	0.294	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.9	179.6	57	166.6	-132.4	0	0	111.7	K173 G174 F225 K302	E161-K173 WeakPolarHBondContact O-CA 3.43Å; E161-G174 PolarHBondContact N-O 2.87Å; E161-G174 PolarHBondContact O-N 2.79Å; E161-F225 HydrophobicContact CG-CE2 4.22Å; E161-F225 WeakPolarHBondContact OE1-CE2 3.45Å; E161-F225 WeakPolarHBondContact OE1-CZ 3.26Å; E161-K302 VanDerWaalsContact CD-NZ 3.27Å; E161-K302 WeakPolarHBondContact OE1-CE 3.44Å; E161-K302 IonicContact OE1-NZ 2.88Å; E161-K302 PolarHBondContact OE1-NZ 2.84Å; E161-K302 IonicContact OE2-NZ 3.22Å; E161-K302 PolarHBondContact OE2-NZ 3.23Å; E161-K302 VanDerWaalsContact OE2-NZ 3.14Å
162	D	98.3	Very high	96.7	Very high	70 Å²	70	64.8 Å²	64.8	37%	0.374	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	111.6	173	-63	13.6	0	0	0	105.8	P171 M172 K173	D162-P171 HydrophobicContact CB-CB 4.38Å; D162-P171 VanDerWaalsContact OD2-CB 3.28Å; D162-P171 WeakPolarHBondContact OD2-CB 3.45Å; D162-M172 WeakPolarHBondContact CA-O 3.4Å; D162-K173 WeakPolarHBondContact OD1-CD 3.5Å; D162-K173 VanDerWaalsContact OD1-CE 3.26Å; D162-K173 WeakPolarHBondContact OD1-CE 3.18Å; D162-K173 IonicContact OD1-NZ 3.77Å; D162-K173 PolarHBondContact OD1-NZ 2.96Å; D162-K173 IonicContact OD2-NZ 3.5Å; D162-K173 PolarHBondContact OD2-NZ 3.34Å
163	F	97.8	Very high	96.8	Very high	24 Å²	24	64.7 Å²	64.7	11%	0.105	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	4.2	-175.9	71.5	-87.4	0	0	0	113.1	M172 F225 V227 I299 K302	F163-M172 HydrophobicContact CD1-CB 4.2Å; F163-M172 WeakPolarHBondContact CD1-O 3.37Å; F163-M172 HydrophobicContact CE1-CB 3.74Å; F163-M172 WeakPolarHBondContact CE1-O 3.39Å; F163-M172 HydrophobicContact CE2-CB 4.26Å; F163-M172 HydrophobicContact CE2-CE 3.92Å; F163-M172 HydrophobicContact CE2-SD 4.33Å; F163-M172 HydrophobicContact CZ-CB 3.77Å; F163-M172 HydrophobicContact CZ-CE 3.71Å; F163-M172 HydrophobicContact CZ-SD 4.42Å; F163-M172 PolarHBondContact N-O 3.09Å; F163-M172 VanDerWaalsContact N-O 3.12Å; F163-F225 HydrophobicContact CD1-CZ 4.42Å; F163-V227 HydrophobicContact CE1-CG1 3.92Å; F163-V227 HydrophobicContact CE1-CG2 3.83Å; F163-V227 HydrophobicContact CZ-CG1 3.9Å; F163-V227 HydrophobicContact CZ-CG2 3.93Å; F163-I299 HydrophobicContact CE2-CG1 4.16Å; F163-K302 HydrophobicContact CB-CB 4.47Å; F163-K302 HydrophobicContact CB-CD 4.25Å; F163-K302 HydrophobicContact CB-CG 4.41Å; F163-K302 HydrophobicContact CD2-CB 3.83Å; F163-K302 HydrophobicContact CD2-CG 4.31Å; F163-K302 HydrophobicContact CE2-CB 4.44Å; F163-K302 HydrophobicContact CG-CB 4.35Å; F163-K302 HydrophobicContact CG-CG 4.39Å
164	G	98.4	Very high	97	Very high	12 Å²	12	56.9 Å²	56.9	12%	0.124	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	179.2	-178	0	0	0	0	0	112.3	M172 S298	G164-M172 PolarHBondContact O-N 3.32Å; G164-S298 WeakPolarHBondContact CA-OG 3.29Å
165	Y	98.6	Very high	97.3	Very high	133 Å²	133	50.7 Å²	50.7	52%	0.522	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.8	175.2	-68	-91.3	0	0	0	110	R170 P171 L294	Y165-R170 WeakPolarHBondContact CA-O 3.21Å; Y165-P171 HydrophobicContact CD1-CB 4.31Å; Y165-P171 HydrophobicContact CE1-CB 4Å; Y165-L294 WeakPolarHBondContact O-CB 2.95Å
166	T	98.7	Very high	97.6	Very high	3 Å²	3	47 Å²	47	2%	0.018	25%	0.254	C	S	.	.			trans	-80	173.2	175.8	64.1	0	0	0	0	112	E168 G169 R170 M172 P232 D233 E295	T166-E168 VanDerWaalsContact C-N 3.3Å; T166-E168 PolarHBondContact O-N 2.61Å; T166-G169 PolarHBondContact O-N 2.93Å; T166-G169 PolarHBondContact OG1-N 3.05Å; T166-R170 HydrophobicContact CG2-CB 4.3Å; T166-R170 PolarHBondContact N-O 3.14Å; T166-R170 WeakPolarHBondContact OG1-CB 3.43Å; T166-R170 PolarHBondContact OG1-N 3.46Å; T166-R170 PolarHBondContact OG1-O 2.9Å; T166-M172 HydrophobicContact CG2-CG 4.07Å; T166-P232 HydrophobicContact CG2-CB 4.09Å; T166-P232 HydrophobicContact CG2-CG 3.8Å; T166-D233 VanDerWaalsContact CB-CG 3.44Å; T166-D233 WeakPolarHBondContact CB-OD1 3.42Å; T166-D233 WeakPolarHBondContact CB-OD2 3.36Å; T166-D233 PolarHBondContact OG1-OD1 3.39Å; T166-D233 PolarHBondContact OG1-OD2 3.39Å; T166-E295 WeakPolarHBondContact CA-OE1 3.5Å; T166-E295 VanDerWaalsContact CB-OE1 3.22Å; T166-E295 WeakPolarHBondContact CB-OE1 3.26Å; T166-E295 HydrophobicContact CG2-CG 3.89Å
167	A	97.9	Very high	98	Very high	46 Å²	46	41.4 Å²	41.4	38%	0.38	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35	176.4	0	0	0	0	0	114	G169 D233 A250 E295	A167-G169 VanDerWaalsContact C-N 3.27Å; A167-G169 PolarHBondContact O-N 2.95Å; A167-D233 PolarHBondContact N-OD2 2.83Å; A167-A250 HydrophobicContact CB-CB 3.64Å; A167-E295 PolarHBondContact N-OE1 2.65Å
168	E	98.3	Very high	98.2	Very high	93 Å²	93	40.5 Å²	40.5	44%	0.435	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	12.2	173.8	-56.8	-176	169	0	0	112.7	T166 R170 D233 R249	T166-E168 VanDerWaalsContact C-N 3.3Å; T166-E168 PolarHBondContact O-N 2.61Å; E168-R170 IonicContact OE2-CZ 3.49Å; E168-R170 IonicContact OE2-NH1 2.72Å; E168-R170 PolarHBondContact OE2-NH1 3.49Å; E168-R170 IonicContact OE2-NH2 3.36Å; E168-R170 PolarHBondContact OE2-NH2 3.07Å; E168-D233 HydrophobicContact CB-CB 4.46Å; E168-D233 VanDerWaalsContact CB-OD2 3.28Å; E168-D233 WeakPolarHBondContact CB-OD2 3.22Å; E168-D233 HydrophobicContact CG-CB 4.24Å; E168-D233 WeakPolarHBondContact CG-OD2 3.34Å; E168-D233 PolarHBondContact N-OD2 3.5Å; E168-R249 HydrophobicContact CG-CB 4.09Å; E168-R249 WeakPolarHBondContact OE1-CB 3.32Å; E168-R249 IonicContact OE1-NE 2.88Å
169	G	98.3	Very high	98	Very high	47 Å²	47	43.7 Å²	43.7	49%	0.485	24%	0.235	S	C	.	.			trans	78.5	17.3	172.6	0	0	0	0	0	115.5	T166 A167	T166-G169 PolarHBondContact O-N 2.93Å; T166-G169 PolarHBondContact OG1-N 3.05Å; A167-G169 VanDerWaalsContact C-N 3.27Å; A167-G169 PolarHBondContact O-N 2.95Å
170	R	98.5	Very high	97.9	Very high	65 Å²	65	39.1 Å²	39.1	25%	0.245	22%	0.218	C	C	.	.			trans	-79.1	139.7	173.6	-65.7	-174.3	-176.6	75.4	1	110.4	F141 Y165 T166 E168 P232 D233	F141-R170 HydrophobicContact CE1-CB 4.22Å; Y165-R170 WeakPolarHBondContact CA-O 3.21Å; T166-R170 HydrophobicContact CG2-CB 4.3Å; T166-R170 PolarHBondContact N-O 3.14Å; T166-R170 WeakPolarHBondContact OG1-CB 3.43Å; T166-R170 PolarHBondContact OG1-N 3.46Å; T166-R170 PolarHBondContact OG1-O 2.9Å; E168-R170 IonicContact OE2-CZ 3.49Å; E168-R170 IonicContact OE2-NH1 2.72Å; E168-R170 PolarHBondContact OE2-NH1 3.49Å; E168-R170 IonicContact OE2-NH2 3.36Å; E168-R170 PolarHBondContact OE2-NH2 3.07Å; R170-P232 HydrophobicContact CB-CB 3.9Å; R170-D233 WeakPolarHBondContact CD-OD1 3.5Å; R170-D233 WeakPolarHBondContact CG-OD1 2.93Å; R170-D233 IonicContact CZ-OD1 3.08Å; R170-D233 IonicContact NE-OD1 2.64Å; R170-D233 VanDerWaalsContact NH1-CG 3.31Å; R170-D233 IonicContact NH1-OD1 3.99Å; R170-D233 PolarHBondContact NH1-OD1 3.01Å
171	P	98.3	Very high	97.8	Very high	28 Å²	28	41.9 Å²	41.9	18%	0.182	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.1	177.6	27.8	-34.6	0	0	0	111.2	F141 D162 Y165 K173	F141-P171 HydrophobicContact CZ-CG 4.47Å; F141-P171 VanDerWaalsContact CZ-O 3.22Å; F141-P171 WeakPolarHBondContact CZ-O 3.41Å; D162-P171 HydrophobicContact CB-CB 4.38Å; D162-P171 VanDerWaalsContact OD2-CB 3.28Å; D162-P171 WeakPolarHBondContact OD2-CB 3.45Å; Y165-P171 HydrophobicContact CD1-CB 4.31Å; Y165-P171 HydrophobicContact CE1-CB 4Å; P171-K173 HydrophobicContact CB-CD 4.41Å; P171-K173 PolarHBondContact O-N 3.03Å
172	M	98.6	Very high	97.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111.4	169.8	-63.3	-179.1	74.7	0	0	109.6	D162 F163 G164 T166 V230 E295 I299	D162-M172 WeakPolarHBondContact CA-O 3.4Å; F163-M172 HydrophobicContact CD1-CB 4.2Å; F163-M172 WeakPolarHBondContact CD1-O 3.37Å; F163-M172 HydrophobicContact CE1-CB 3.74Å; F163-M172 WeakPolarHBondContact CE1-O 3.39Å; F163-M172 HydrophobicContact CE2-CB 4.26Å; F163-M172 HydrophobicContact CE2-CE 3.92Å; F163-M172 HydrophobicContact CE2-SD 4.33Å; F163-M172 HydrophobicContact CZ-CB 3.77Å; F163-M172 HydrophobicContact CZ-CE 3.71Å; F163-M172 HydrophobicContact CZ-SD 4.42Å; F163-M172 PolarHBondContact N-O 3.09Å; F163-M172 VanDerWaalsContact N-O 3.12Å; G164-M172 PolarHBondContact O-N 3.32Å; T166-M172 HydrophobicContact CG2-CG 4.07Å; M172-V230 HydrophobicContact CE-CG1 4.22Å; M172-V230 VanDerWaalsContact CE-O 3.24Å; M172-V230 WeakPolarHBondContact CE-O 3.25Å; M172-E295 HydrophobicContact CE-CB 3.97Å; M172-E295 HydrophobicContact CE-CG 4.31Å; M172-E295 HydrophobicContact SD-CB 3.94Å; M172-E295 HydrophobicContact SD-CG 3.96Å; M172-I299 HydrophobicContact CE-CD1 4.12Å; M172-I299 HydrophobicContact CE-CG1 3.87Å
173	K	98.6	Very high	97.7	Very high	25 Å²	25	43.5 Å²	43.5	11%	0.109	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120	-176	-60.3	-59	-176.3	173.9	0	112.1	F141 V145 L148 V160 E161 D162 P171	F141-K173 HydrophobicContact CZ-CG 4.45Å; V145-K173 HydrophobicContact CG2-CG 3.96Å; L148-K173 HydrophobicContact CD1-CB 4.43Å; V160-K173 HydrophobicContact CG1-CD 4.24Å; E161-K173 WeakPolarHBondContact O-CA 3.43Å; D162-K173 WeakPolarHBondContact OD1-CD 3.5Å; D162-K173 VanDerWaalsContact OD1-CE 3.26Å; D162-K173 WeakPolarHBondContact OD1-CE 3.18Å; D162-K173 IonicContact OD1-NZ 3.77Å; D162-K173 PolarHBondContact OD1-NZ 2.96Å; D162-K173 IonicContact OD2-NZ 3.5Å; D162-K173 PolarHBondContact OD2-NZ 3.34Å; P171-K173 HydrophobicContact CB-CD 4.41Å; P171-K173 PolarHBondContact O-N 3.03Å
174	G	98.6	Very high	97.7	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	147.1	167.3	0	0	0	0	0	111.4	V160 E161	V160-G174 WeakPolarHBondContact CA-O 3.17Å; E161-G174 PolarHBondContact N-O 2.87Å; E161-G174 PolarHBondContact O-N 2.79Å
175	V	98.6	Very high	97.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	108.8	179.7	-171	0	0	0	0	108.9	L148 M158 K159 V160 I177 I207 F225 I226	L148-V175 HydrophobicContact CD1-CG2 3.8Å; L148-V175 HydrophobicContact CD2-CG2 3.8Å; L148-V175 HydrophobicContact CG-CG2 4.31Å; M158-V175 HydrophobicContact CE-CG1 4.27Å; M158-V175 HydrophobicContact CG-CG1 3.55Å; M158-V175 HydrophobicContact SD-CG1 3.56Å; M158-V175 VanDerWaalsContact SD-CG1 3.56Å; K159-V175 CarbonylContact O-C 3.6Å; K159-V175 WeakPolarHBondContact O-CA 3.35Å; V160-V175 HydrophobicContact CG2-CG2 4.43Å; V175-I177 HydrophobicContact CG1-CD1 4.32Å; V175-I177 HydrophobicContact CG1-CG1 3.97Å; V175-I207 HydrophobicContact CB-CD1 4.36Å; V175-I207 HydrophobicContact CG2-CD1 4.08Å; V175-F225 WeakPolarHBondContact O-CA 3.46Å; V175-I226 PolarHBondContact N-O 3.46Å; V175-I226 PolarHBondContact O-N 3.01Å
176	M	98.4	Very high	97.7	Very high	31 Å²	31	38.1 Å²	38.1	15%	0.153	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120.4	170.9	-177.4	60.8	80.6	0	0	109.4	M158 K159 I185 Q223 F224 F225 L306	M158-M176 CarbonylContact C-O 3.55Å; M158-M176 WeakPolarHBondContact CA-O 3.45Å; K159-M176 PolarHBondContact N-O 2.91Å; K159-M176 PolarHBondContact O-N 3.39Å; M176-I185 HydrophobicContact CE-CD1 4.27Å; M176-Q223 HydrophobicContact SD-CB 4.31Å; M176-F224 CarbonylContact C-O 3.58Å; M176-F224 WeakPolarHBondContact CA-O 3.35Å; M176-F225 HydrophobicContact CB-CD2 4.26Å; M176-F225 HydrophobicContact CE-CB 4.28Å; M176-F225 HydrophobicContact CE-CD2 3.75Å; M176-F225 HydrophobicContact CE-CG 4.45Å; M176-F225 HydrophobicContact SD-CD2 4.42Å; M176-L306 HydrophobicContact CE-CD1 4.19Å; M176-L306 HydrophobicContact CE-CD2 4.41Å
177	I	98.2	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111.4	173.8	-54.1	168.2	0	0	0	108	H157 M158 V175 I207 L210 M211 L219 Q223 F224 I226	H157-I177 CarbonylContact O-C 3.5Å; H157-I177 WeakPolarHBondContact O-CA 3.22Å; M158-I177 HydrophobicContact CB-CG1 4.39Å; M158-I177 HydrophobicContact CG-CG1 3.86Å; M158-I177 HydrophobicContact SD-CD1 4.39Å; M158-I177 HydrophobicContact SD-CG1 4.2Å; V175-I177 HydrophobicContact CG1-CD1 4.32Å; V175-I177 HydrophobicContact CG1-CG1 3.97Å; I177-I207 HydrophobicContact CD1-CG1 4.31Å; I177-I207 HydrophobicContact CD1-CG2 4.28Å; I177-L210 HydrophobicContact CD1-CB 4.17Å; I177-L210 HydrophobicContact CD1-CD1 3.74Å; I177-M211 HydrophobicContact CD1-CE 4.03Å; I177-M211 HydrophobicContact CG1-CE 4.33Å; I177-M211 HydrophobicContact CG2-CE 3.5Å; I177-M211 VanDerWaalsContact CG2-CE 3.5Å; I177-L219 HydrophobicContact CB-CD2 4.41Å; I177-L219 HydrophobicContact CG2-CD1 3.83Å; I177-L219 HydrophobicContact CG2-CD2 3.69Å; I177-L219 HydrophobicContact CG2-CG 4.44Å; I177-Q223 WeakPolarHBondContact O-CA 3.47Å; I177-F224 HydrophobicContact CB-CB 4.29Å; I177-F224 PolarHBondContact N-O 3.21Å; I177-F224 PolarHBondContact O-N 2.85Å; I177-I226 HydrophobicContact CD1-CD1 4.37Å
178	S	97.2	Very high	97.8	Very high	21 Å²	21	35.9 Å²	35.9	15%	0.147	21%	0.212	C	C	.	.			trans	-153.5	134.7	-173.4	-179.6	0	0	0	0	111.9	H157 D180 Q223	H157-S178 VanDerWaalsContact CB-O 3.26Å; H157-S178 WeakPolarHBondContact CB-O 3.48Å; H157-S178 PolarHBondContact O-N 2.71Å; S178-D180 VanDerWaalsContact OG-C 3.25Å; S178-D180 PolarHBondContact OG-N 2.58Å; S178-D180 PolarHBondContact OG-O 3.07Å; S178-D180 VanDerWaalsContact OG-O 3.05Å; S178-Q223 VanDerWaalsContact OG-CD 3.29Å; S178-Q223 WeakPolarHBondContact OG-CG 3.46Å; S178-Q223 PolarHBondContact OG-OE1 3.33Å
179	S	93.6	Very high	97.8	Very high	72 Å²	72	31.6 Å²	31.6	50%	0.503	19%	0.192	S	C	.	.	S	Bend	trans	-99.7	-7.7	168	56.1	0	0	0	0	112.9	R183 L219	S179-R183 PolarHBondContact OG-NH1 3.47Å; S179-L219 PolarHBondContact OG-O 2.81Å
180	D	95.1	Very high	97.8	Very high	55 Å²	55	29.3 Å²	29.3	29%	0.294	17%	0.169	S	C	.	.			trans	-162.2	114.9	-175.1	176.7	-8.2	0	0	0	108.2	S178 T182 R183 Q223	S178-D180 VanDerWaalsContact OG-C 3.25Å; S178-D180 PolarHBondContact OG-N 2.58Å; S178-D180 PolarHBondContact OG-O 3.07Å; S178-D180 VanDerWaalsContact OG-O 3.05Å; D180-T182 VanDerWaalsContact CG-OG1 3.3Å; D180-T182 PolarHBondContact O-N 3.07Å; D180-T182 WeakPolarHBondContact OD1-CB 3.34Å; D180-T182 PolarHBondContact OD1-N 2.86Å; D180-T182 PolarHBondContact OD1-OG1 3.44Å; D180-T182 PolarHBondContact OD2-OG1 2.86Å; D180-R183 HydrophobicContact CB-CG 4.11Å; D180-R183 VanDerWaalsContact CB-CZ 3.42Å; D180-R183 PolarHBondContact O-N 3.46Å; D180-R183 IonicContact OD2-CZ 3.55Å; D180-R183 IonicContact OD2-NE 3.27Å; D180-R183 PolarHBondContact OD2-NE 3.05Å; D180-R183 IonicContact OD2-NH2 3.23Å; D180-R183 PolarHBondContact OD2-NH2 3.39Å; D180-Q223 WeakPolarHBondContact O-CG 3.33Å
181	S	95.9	Very high	97.9	Very high	91 Å²	91	26.3 Å²	26.3	64%	0.636	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-4.8	-174.2	57.6	0	0	0	0	114.4	Q223 Q309	S181-Q223 VanDerWaalsContact C-NE2 3.3Å; S181-Q223 PolarHBondContact O-NE2 2.76Å; S181-Q309 PolarHBondContact O-OE1 3.4Å
182	T	96.3	Very high	97.9	Very high	111 Å²	111	25.1 Å²	25.1	68%	0.681	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.4	179.4	68.1	0	0	0	0	113.3	D180	D180-T182 VanDerWaalsContact CG-OG1 3.3Å; D180-T182 PolarHBondContact O-N 3.07Å; D180-T182 WeakPolarHBondContact OD1-CB 3.34Å; D180-T182 PolarHBondContact OD1-N 2.86Å; D180-T182 PolarHBondContact OD1-OG1 3.44Å; D180-T182 PolarHBondContact OD2-OG1 2.86Å
183	R	97.3	Very high	97.9	Very high	56 Å²	56	25.6 Å²	25.6	21%	0.211	15%	0.153	C	C	.	.	S	Bend	trans	-78.5	152.4	-173.4	-68.4	178.3	-173.5	154.7	11.2	112.7	S179 D180 L219 K220 Q223	S179-R183 PolarHBondContact OG-NH1 3.47Å; D180-R183 HydrophobicContact CB-CG 4.11Å; D180-R183 VanDerWaalsContact CB-CZ 3.42Å; D180-R183 PolarHBondContact O-N 3.46Å; D180-R183 IonicContact OD2-CZ 3.55Å; D180-R183 IonicContact OD2-NE 3.27Å; D180-R183 PolarHBondContact OD2-NE 3.05Å; D180-R183 IonicContact OD2-NH2 3.23Å; D180-R183 PolarHBondContact OD2-NH2 3.39Å; R183-L219 PolarHBondContact NH1-O 2.72Å; R183-K220 WeakPolarHBondContact CD-O 3.27Å; R183-K220 PolarHBondContact NE-O 3.39Å; R183-K220 VanDerWaalsContact NH1-CA 3.28Å; R183-K220 PolarHBondContact NH1-O 3.04Å; R183-Q223 HydrophobicContact CB-CG 3.83Å; R183-Q223 PolarHBondContact O-NE2 3.03Å
184	P	98.2	Very high	97.9	Very high	57 Å²	57	24.5 Å²	24.5	37%	0.37	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-58	147.9	172.1	-22	32.2	0	0	0	112.5	F222 Q223 Q309 I311	P184-F222 HydrophobicContact CB-CD1 4.11Å; P184-F222 HydrophobicContact CB-CE1 4.4Å; P184-F222 CarbonylContact O-C 3.53Å; P184-F222 VanDerWaalsContact O-CA 3.28Å; P184-F222 WeakPolarHBondContact O-CA 3.18Å; P184-Q223 PolarHBondContact O-N 3.01Å; P184-Q309 CarbonylContact C-O 3.54Å; P184-Q309 WeakPolarHBondContact CA-O 3.21Å; P184-I311 HydrophobicContact CB-CB 4.04Å; P184-I311 HydrophobicContact CB-CG2 3.71Å
185	I	98.7	Very high	97.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.8	-177.7	-63.9	169.3	0	0	0	110	M176 Q223 F225 L306 Q309 I310 I311	M176-I185 HydrophobicContact CE-CD1 4.27Å; I185-Q223 WeakPolarHBondContact CA-O 3.3Å; I185-Q223 HydrophobicContact CG1-CB 3.97Å; I185-Q223 HydrophobicContact CG1-CG 4.5Å; I185-F225 HydrophobicContact CG2-CB 3.97Å; I185-L306 HydrophobicContact CD1-CB 4.09Å; I185-L306 HydrophobicContact CD1-CD1 4.07Å; I185-L306 HydrophobicContact CD1-CD2 3.79Å; I185-L306 HydrophobicContact CD1-CG 4.2Å; I185-Q309 HydrophobicContact CB-CB 4.48Å; I185-Q309 HydrophobicContact CD1-CB 3.66Å; I185-Q309 HydrophobicContact CG1-CB 3.92Å; I185-Q309 PolarHBondContact N-O 2.92Å; I185-I310 HydrophobicContact CB-CG1 4.13Å; I185-I310 HydrophobicContact CG2-CG1 4.06Å; I185-I310 WeakPolarHBondContact O-CA 3.45Å; I185-I311 PolarHBondContact O-N 2.83Å
186	I	98.8	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	115.9	161.2	-59.2	-178.2	0	0	0	107.9	I188 F222 Q223 F224 F225 L312 L420 A424	I186-I188 HydrophobicContact CG2-CD1 4.42Å; I186-I188 HydrophobicContact CG2-CG1 4.09Å; I186-F222 HydrophobicContact CD1-CB 4.08Å; I186-F222 HydrophobicContact CD1-CD1 4.02Å; I186-F222 HydrophobicContact CD1-CD2 3.96Å; I186-F222 HydrophobicContact CD1-CE1 4.49Å; I186-F222 HydrophobicContact CD1-CE2 4.43Å; I186-F222 HydrophobicContact CD1-CG 3.74Å; I186-F222 HydrophobicContact CG1-CB 4.14Å; I186-F222 HydrophobicContact CG1-CD1 3.97Å; I186-F222 HydrophobicContact CG1-CG 4.03Å; I186-Q223 PolarHBondContact N-O 3.27Å; I186-F224 HydrophobicContact CB-CD1 3.85Å; I186-F224 HydrophobicContact CB-CE1 3.8Å; I186-F224 HydrophobicContact CB-CZ 4.49Å; I186-F224 HydrophobicContact CD1-CE1 3.84Å; I186-F224 HydrophobicContact CD1-CZ 3.88Å; I186-F224 HydrophobicContact CG1-CE1 4.3Å; I186-F224 HydrophobicContact CG2-CD1 4.12Å; I186-F224 HydrophobicContact CG2-CE1 3.97Å; I186-F224 WeakPolarHBondContact O-CA 3.33Å; I186-F225 PolarHBondContact O-N 3.26Å; I186-L312 CarbonylContact C-O 3.55Å; I186-L312 WeakPolarHBondContact CA-O 3.25Å; I186-L312 HydrophobicContact CD1-CD2 4.26Å; I186-L312 HydrophobicContact CG1-CB 4.19Å; I186-L312 HydrophobicContact CG1-CD2 4.44Å; I186-L312 HydrophobicContact CG2-CB 4.23Å; I186-L312 HydrophobicContact CG2-CD2 3.94Å; I186-L312 HydrophobicContact CG2-CG 4.16Å; I186-L420 HydrophobicContact CD1-CD1 4.11Å; I186-L420 HydrophobicContact CG2-CD1 4.01Å; I186-A424 HydrophobicContact CD1-CB 4.15Å
187	W	98.9	Very high	97.9	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.5	173	-178	-71.7	0	0	0	110.2	D189 F225 V227 I299 K302 L303 L306 I310 L312 Y313 L314	W187-D189 PolarHBondContact NE1-OD2 3.42Å; W187-F225 WeakPolarHBondContact CA-O 3.36Å; W187-F225 HydrophobicContact CD2-CD1 4.04Å; W187-F225 HydrophobicContact CE3-CB 4.33Å; W187-F225 AromaticContact CE3-CD1 3.49Å; W187-F225 HydrophobicContact CE3-CD1 3.49Å; W187-F225 VanDerWaalsContact CE3-CD1 3.49Å; W187-F225 HydrophobicContact CE3-CE1 4.24Å; W187-F225 HydrophobicContact CE3-CG 4.25Å; W187-F225 AromaticContact CH2-CD1 3.76Å; W187-F225 HydrophobicContact CH2-CD1 3.76Å; W187-F225 AromaticContact CH2-CE1 3.65Å; W187-F225 HydrophobicContact CH2-CE1 3.65Å; W187-F225 HydrophobicContact CZ2-CD1 4.26Å; W187-F225 HydrophobicContact CZ2-CE1 4.28Å; W187-F225 AromaticContact CZ3-CD1 3.35Å; W187-F225 HydrophobicContact CZ3-CD1 3.35Å; W187-F225 AromaticContact CZ3-CE1 3.63Å; W187-F225 HydrophobicContact CZ3-CE1 3.63Å; W187-F225 HydrophobicContact CZ3-CG 4.31Å; W187-V227 HydrophobicContact CH2-CG2 4.45Å; W187-V227 HydrophobicContact CZ2-CG2 3.97Å; W187-I299 HydrophobicContact CZ2-CG2 4.36Å; W187-K302 HydrophobicContact CH2-CB 4.12Å; W187-K302 HydrophobicContact CH2-CG 3.89Å; W187-K302 HydrophobicContact CZ3-CB 4.41Å; W187-K302 HydrophobicContact CZ3-CG 3.87Å; W187-L303 HydrophobicContact CD2-CD2 3.73Å; W187-L303 HydrophobicContact CE3-CD2 3.59Å; W187-L303 HydrophobicContact CE3-CG 4.44Å; W187-L303 HydrophobicContact CG-CD2 4.41Å; W187-L303 HydrophobicContact CH2-CD2 3.9Å; W187-L303 HydrophobicContact CH2-CG 3.89Å; W187-L303 HydrophobicContact CZ2-CD2 4.02Å; W187-L303 HydrophobicContact CZ2-CG 4.18Å; W187-L303 HydrophobicContact CZ3-CD2 3.67Å; W187-L303 HydrophobicContact CZ3-CG 4.02Å; W187-L306 HydrophobicContact CZ3-CD1 4.34Å; W187-I310 HydrophobicContact CB-CG2 4.21Å; W187-I310 HydrophobicContact CE3-CD1 3.94Å; W187-L312 PolarHBondContact N-O 3.43Å; W187-Y313 HydrophobicContact CB-CD2 3.94Å; W187-Y313 AromaticContact CD1-CD2 3.24Å; W187-Y313 AromaticContact CD1-CE2 3.2Å; W187-Y313 HydrophobicContact CD2-CD2 4.38Å; W187-Y313 HydrophobicContact CD2-CE2 4.42Å; W187-Y313 AromaticContact CG-CD2 3.61Å; W187-Y313 HydrophobicContact CG-CD2 3.61Å; W187-Y313 AromaticContact CG-CE2 3.93Å; W187-Y313 HydrophobicContact CG-CE2 3.93Å; W187-Y313 AromaticContact NE1-CD2 3.84Å; W187-Y313 AromaticContact NE1-CE2 3.32Å; W187-Y313 VanDerWaalsContact NE1-CE2 3.32Å; W187-L314 PolarHBondContact O-N 3.15Å
188	I	98.9	Very high	97.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	122.9	171.6	-50.4	178.2	0	0	0	109	I186 I206 F224 F225 I226 V227 L314 L316 L420	I186-I188 HydrophobicContact CG2-CD1 4.42Å; I186-I188 HydrophobicContact CG2-CG1 4.09Å; I188-I206 HydrophobicContact CD1-CG2 3.97Å; I188-F224 HydrophobicContact CD1-CD1 4.32Å; I188-F225 PolarHBondContact N-O 2.64Å; I188-I226 HydrophobicContact CB-CG1 4.19Å; I188-I226 HydrophobicContact CB-CG2 4.31Å; I188-I226 HydrophobicContact CD1-CD1 4.3Å; I188-I226 HydrophobicContact CD1-CG1 4.45Å; I188-I226 HydrophobicContact CG1-CG1 4.49Å; I188-I226 CarbonylContact O-C 3.55Å; I188-I226 WeakPolarHBondContact O-CA 3.37Å; I188-V227 PolarHBondContact O-N 3.33Å; I188-L314 VanDerWaalsContact CA-O 3.3Å; I188-L314 WeakPolarHBondContact CA-O 3.33Å; I188-L314 HydrophobicContact CD1-CD1 4.46Å; I188-L314 HydrophobicContact CG1-CB 4.32Å; I188-L314 HydrophobicContact CG1-CD1 4.33Å; I188-L314 HydrophobicContact CG2-CB 4.42Å; I188-L316 HydrophobicContact CG2-CD1 3.79Å; I188-L316 HydrophobicContact CG2-CG 3.98Å; I188-L420 HydrophobicContact CD1-CD1 4.4Å; I188-L420 HydrophobicContact CD1-CD2 4.28Å
189	D	98.9	Very high	98	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	160	170.1	62.7	51.6	0	0	0	112.8	W187 V227 V230 Y313 L314 S315 L316	W187-D189 PolarHBondContact NE1-OD2 3.42Å; D189-V227 WeakPolarHBondContact CA-O 3.38Å; D189-V227 HydrophobicContact CB-CB 4.03Å; D189-V230 HydrophobicContact CB-CG2 3.72Å; D189-Y313 PolarHBondContact OD1-OH 2.86Å; D189-Y313 VanDerWaalsContact OD2-CE2 3.28Å; D189-Y313 WeakPolarHBondContact OD2-CE2 3.36Å; D189-Y313 PolarHBondContact OD2-OH 3.05Å; D189-L314 PolarHBondContact N-O 3.48Å; D189-S315 WeakPolarHBondContact OD1-CA 3.39Å; D189-S315 VanDerWaalsContact OD1-CB 3.32Å; D189-S315 WeakPolarHBondContact OD1-CB 3.43Å; D189-S315 PolarHBondContact OD1-OG 2.98Å; D189-L316 WeakPolarHBondContact O-CB 3.37Å; D189-L316 WeakPolarHBondContact O-CG 3.24Å; D189-L316 PolarHBondContact O-N 3.1Å
190	A	98.9	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	160.2	-176.3	0	0	0	0	0	111.5	I192 A199 A203 V227 P228 V229 V230 L316	A190-I192 VanDerWaalsContact C-N 3.29Å; A190-I192 PolarHBondContact O-N 2.81Å; A190-A199 HydrophobicContact CB-CB 4.02Å; A190-A203 HydrophobicContact CB-CB 3.88Å; A190-V227 PolarHBondContact N-O 3.42Å; A190-P228 WeakPolarHBondContact CB-O 3.19Å; A190-V229 CarbonylContact O-C 3.57Å; A190-V229 WeakPolarHBondContact O-CA 3Å; A190-V230 PolarHBondContact O-N 3Å; A190-L316 HydrophobicContact CB-CB 4.04Å; A190-L316 HydrophobicContact CB-CD1 4.25Å
191	G	98.8	Very high	98.4	Very high	2 Å²	2	17.9 Å²	17.9	2%	0.021	11%	0.106	C	C	.	.			trans	66.1	32.5	173.3	0	0	0	0	0	113.1	N231	G191-N231 VanDerWaalsContact O-CB 3.28Å; G191-N231 WeakPolarHBondContact O-CB 3.38Å; G191-N231 PolarHBondContact O-N 2.85Å
192	I	98.9	Very high	98.6	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	8%	0.075	C	C	.	.	S	Bend	trans	-68.9	-38.9	167.9	-169.2	165.8	0	0	0	110.2	A190 V230 N231 L262 N263 F266 H317 T376	A190-I192 VanDerWaalsContact C-N 3.29Å; A190-I192 PolarHBondContact O-N 2.81Å; I192-V230 HydrophobicContact CB-CB 4.05Å; I192-V230 HydrophobicContact CB-CG1 4.02Å; I192-V230 HydrophobicContact CD1-CG1 4.24Å; I192-V230 HydrophobicContact CG1-CB 4.46Å; I192-V230 HydrophobicContact CG1-CG1 3.87Å; I192-N231 WeakPolarHBondContact O-CB 3.43Å; I192-N231 PolarHBondContact O-ND2 3.05Å; I192-L262 HydrophobicContact CD1-CB 3.9Å; I192-L262 HydrophobicContact CG1-CB 3.61Å; I192-L262 HydrophobicContact CG1-CD1 4.32Å; I192-N263 HydrophobicContact CD1-CB 3.92Å; I192-N263 HydrophobicContact CG1-CB 4.38Å; I192-N263 HydrophobicContact CG2-CB 4.46Å; I192-F266 HydrophobicContact CD1-CE2 4.33Å; I192-H317 WeakPolarHBondContact CG2-CE1 3.23Å; I192-H317 WeakPolarHBondContact CG2-NE2 3.39Å; I192-T376 HydrophobicContact CD1-CG2 3.69Å
193	H	98.8	Very high	98.7	Very high	11 Å²	11	8.2 Å²	8.2	5%	0.051	4%	0.043	C	C	.	.	S	Bend	trans	-91.4	125	164	-57.9	160.9	0	0	0	110.1	R195 E196 R246 D261 N263 H317	H193-R195 PolarHBondContact O-N 2.83Å; H193-E196 HydrophobicContact CB-CG 3.99Å; H193-E196 VanDerWaalsContact CB-OE1 3.27Å; H193-E196 WeakPolarHBondContact CB-OE1 3.23Å; H193-E196 IonicContact CE1-OE1 2.97Å; H193-E196 IonicContact CG-OE1 3.89Å; H193-E196 IonicContact ND1-OE1 2.65Å; H193-E196 PolarHBondContact ND1-OE1 2.91Å; H193-E196 IonicContact ND1-OE2 3.72Å; H193-E196 PolarHBondContact O-N 3.4Å; H193-R246 WeakPolarHBondContact CA-O 3.32Å; H193-R246 HydrophobicContact CB-CG 4.24Å; H193-R246 PolarHBondContact CD2-NH1 2.71Å; H193-R246 PolarHBondContact CE1-NH2 3.2Å; H193-R246 PolarHBondContact NE2-NH2 2.97Å; H193-D261 IonicContact CD2-OD1 3.17Å; H193-D261 IonicContact NE2-OD1 2.71Å; H193-D261 PolarHBondContact NE2-OD1 2.52Å; H193-N263 WeakPolarHBondContact NE2-CB 3.5Å; H193-H317 AromaticContact CE1-CE1 3.24Å; H193-H317 PolarHBondContact CE1-CE1 3.27Å; H193-H317 AromaticContact CE1-ND1 3.35Å; H193-H317 PolarHBondContact CE1-ND1 2.77Å; H193-H317 AromaticContact CG-CE1 3.96Å; H193-H317 AromaticContact CG-ND1 3.97Å; H193-H317 AromaticContact ND1-CE1 3.5Å; H193-H317 AromaticContact ND1-ND1 3.25Å; H193-H317 PolarHBondContact ND1-ND1 3.32Å; H193-H317 AromaticContact NE2-CE1 3.57Å
194	A	98.8	Very high	98.7	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.008	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-35.6	-169.3	0	0	0	0	0	114.8	E196 G234 T238 W245 R246	A194-E196 PolarHBondContact O-N 3.07Å; A194-G234 WeakPolarHBondContact CB-O 3.23Å; A194-T238 HydrophobicContact CB-CG2 3.77Å; A194-W245 WeakPolarHBondContact CB-O 3.36Å; A194-R246 PolarHBondContact N-O 2.81Å
195	R	98.5	Very high	98.7	Very high	9 Å²	9	4.9 Å²	4.9	3%	0.034	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-10.3	-176.4	59.3	-165.6	-170.6	-178.6	2.7	114.8	D67 I68 H193 W197 R243 L244 W245 D283 F402	D67-R195 IonicContact OD1-CZ 3.78Å; D67-R195 IonicContact OD1-NH1 3.52Å; D67-R195 PolarHBondContact OD1-NH1 2.98Å; D67-R195 IonicContact OD1-NH2 3.96Å; D67-R195 IonicContact OD2-NH1 3.5Å; I68-R195 PolarHBondContact O-NH2 3.33Å; H193-R195 PolarHBondContact O-N 2.83Å; R195-W197 PolarHBondContact O-N 3.4Å; R195-R243 PolarHBondContact O-NH1 3.33Å; R195-L244 WeakPolarHBondContact CD-O 3.32Å; R195-L244 PolarHBondContact NH1-O 3.36Å; R195-W245 VanDerWaalsContact CB-O 3.3Å; R195-W245 WeakPolarHBondContact CB-O 3.14Å; R195-W245 PolarHBondContact N-O 3.24Å; R195-D283 IonicContact CZ-OD2 3.24Å; R195-D283 IonicContact NH1-OD2 3.98Å; R195-D283 PolarHBondContact NH1-OD2 3.17Å; R195-D283 IonicContact NH2-OD2 3.6Å; R195-F402 HydrophobicContact CB-CG 4.5Å; R195-F402 HydrophobicContact CG-CD1 3.95Å; R195-F402 HydrophobicContact CG-CD2 4.34Å; R195-F402 HydrophobicContact CG-CE1 4.14Å; R195-F402 HydrophobicContact CG-CG 4.06Å; R195-F402 HydrophobicContact CG-CZ 4.45Å; R195-F402 VanDerWaalsContact CZ-CE2 3.46Å; R195-F402 VanDerWaalsContact NE-CE2 3.3Å; R195-F402 VanDerWaalsContact NE-CZ 3.31Å
196	E	98.7	Very high	98.7	Very high	8 Å²	8	4.9 Å²	4.9	4%	0.037	3%	0.028	C	C	.	.			trans	-93.3	59.7	-170	-62.7	179.8	-162.8	0	0	112.4	H193 A194 I198 A199 P200 H317 S318 F402	H193-E196 HydrophobicContact CB-CG 3.99Å; H193-E196 VanDerWaalsContact CB-OE1 3.27Å; H193-E196 WeakPolarHBondContact CB-OE1 3.23Å; H193-E196 IonicContact CE1-OE1 2.97Å; H193-E196 IonicContact CG-OE1 3.89Å; H193-E196 IonicContact ND1-OE1 2.65Å; H193-E196 PolarHBondContact ND1-OE1 2.91Å; H193-E196 IonicContact ND1-OE2 3.72Å; H193-E196 PolarHBondContact O-N 3.4Å; A194-E196 PolarHBondContact O-N 3.07Å; E196-I198 PolarHBondContact O-N 3.33Å; E196-A199 PolarHBondContact O-N 3.44Å; E196-P200 WeakPolarHBondContact O-CD 3.37Å; E196-H317 IonicContact OE1-ND1 2.71Å; E196-H317 WeakPolarHBondContact OE2-CA 3.34Å; E196-H317 WeakPolarHBondContact OE2-CB 3.36Å; E196-H317 IonicContact OE2-CG 3.58Å; E196-H317 IonicContact OE2-ND1 3.56Å; E196-H317 PolarHBondContact OE2-ND1 2.97Å; E196-S318 VanDerWaalsContact CB-OG 3.28Å; E196-S318 WeakPolarHBondContact CB-OG 3.3Å; E196-S318 WeakPolarHBondContact CG-O 3.1Å; E196-S318 WeakPolarHBondContact CG-OG 3.35Å; E196-S318 PolarHBondContact OE2-N 3.47Å; E196-F402 HydrophobicContact CG-CD1 3.95Å; E196-F402 HydrophobicContact CG-CE1 3.96Å
197	W	98.7	Very high	98.6	Very high	8 Å²	8	4.9 Å²	4.9	3%	0.03	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.8	-170.7	-70.5	9.1	0	0	0	115.1	E116 Y138 R195 A199 A201 Y235 T238 R239 R243	E116-W197 WeakPolarHBondContact OE2-CZ3 3.39Å; Y138-W197 HydrophobicContact CD1-CB 3.68Å; Y138-W197 WeakPolarHBondContact CD1-O 3.3Å; Y138-W197 HydrophobicContact CD2-CB 4.49Å; Y138-W197 AromaticContact CD2-CE3 3.7Å; Y138-W197 HydrophobicContact CD2-CE3 3.7Å; Y138-W197 HydrophobicContact CD2-CZ3 4.41Å; Y138-W197 VanDerWaalsContact CE1-C 3.47Å; Y138-W197 HydrophobicContact CE1-CB 3.81Å; Y138-W197 VanDerWaalsContact CE1-O 3.28Å; Y138-W197 WeakPolarHBondContact CE1-O 3.39Å; Y138-W197 HydrophobicContact CE2-CE3 4.43Å; Y138-W197 HydrophobicContact CG-CB 4.05Å; Y138-W197 HydrophobicContact CG-CD2 4.48Å; Y138-W197 AromaticContact CG-CE3 3.77Å; Y138-W197 HydrophobicContact CG-CE3 3.77Å; R195-W197 PolarHBondContact O-N 3.4Å; W197-A199 VanDerWaalsContact C-N 3.29Å; W197-A199 PolarHBondContact O-N 2.91Å; W197-A201 PolarHBondContact O-N 3.07Å; W197-Y235 HydrophobicContact CB-CE2 4.43Å; W197-Y235 AromaticContact CD1-CD2 3.87Å; W197-Y235 AromaticContact CD1-CE2 3.48Å; W197-Y235 VanDerWaalsContact CD1-CE2 3.48Å; W197-Y235 HydrophobicContact CD2-CE2 4.49Å; W197-Y235 AromaticContact CG-CE2 3.91Å; W197-Y235 HydrophobicContact CG-CE2 3.91Å; W197-Y235 AromaticContact NE1-CE2 3.82Å; W197-T238 PolarHBondContact NE1-OG1 3.05Å; W197-R239 HydrophobicContact CH2-CG 3.89Å; W197-R239 HydrophobicContact CZ2-CB 4.12Å; W197-R239 HydrophobicContact CZ2-CG 3.38Å; W197-R243 VanDerWaalsContact CZ2-CD 3.48Å
198	I	98.8	Very high	98.5	Very high	4 Å²	4	7.5 Å²	7.5	2%	0.021	4%	0.042	C	C	.	.	H	α-helix	trans	-66.3	-29.8	176.1	-168.9	60.1	0	0	0	112.8	Y138 E196 A201 T202 S318 L394 L404 I409 V412	Y138-I198 HydrophobicContact CE1-CB 4.5Å; Y138-I198 HydrophobicContact CE1-CD1 4.38Å; E196-I198 PolarHBondContact O-N 3.33Å; I198-A201 PolarHBondContact O-N 2.96Å; I198-T202 VanDerWaalsContact O-CB 3.25Å; I198-T202 WeakPolarHBondContact O-CB 3.21Å; I198-T202 PolarHBondContact O-N 3.13Å; I198-T202 PolarHBondContact O-OG1 3.15Å; I198-S318 WeakPolarHBondContact CG2-OG 3.3Å; I198-L394 HydrophobicContact CG1-CD1 4.44Å; I198-L394 HydrophobicContact CG2-CB 4.29Å; I198-L394 HydrophobicContact CG2-CD1 4.27Å; I198-L404 HydrophobicContact CB-CD2 4.18Å; I198-L404 HydrophobicContact CD1-CD2 3.97Å; I198-L404 HydrophobicContact CG1-CD2 3.77Å; I198-I409 HydrophobicContact CD1-CB 4.38Å; I198-I409 HydrophobicContact CD1-CG1 3.9Å; I198-V412 HydrophobicContact CD1-CB 3.98Å; I198-V412 HydrophobicContact CD1-CG1 4.22Å; I198-V412 HydrophobicContact CD1-CG2 4.02Å; I198-V412 HydrophobicContact CG1-CB 4.14Å; I198-V412 HydrophobicContact CG1-CG1 3.87Å; I198-V412 HydrophobicContact CG1-CG2 4.1Å
199	A	98.8	Very high	98.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.2	-55.7	-179.9	0	0	0	0	0	111.8	A190 E196 W197 A201 T202 A203 L316 L394	A190-A199 HydrophobicContact CB-CB 4.02Å; E196-A199 PolarHBondContact O-N 3.44Å; W197-A199 VanDerWaalsContact C-N 3.29Å; W197-A199 PolarHBondContact O-N 2.91Å; A199-A201 VanDerWaalsContact C-N 3.32Å; A199-A201 PolarHBondContact O-N 3.08Å; A199-T202 PolarHBondContact O-N 3.47Å; A199-T202 VanDerWaalsContact O-N 3.09Å; A199-A203 PolarHBondContact O-N 2.59Å; A199-L316 HydrophobicContact CB-CB 4Å; A199-L316 VanDerWaalsContact CB-O 3.28Å; A199-L316 WeakPolarHBondContact CB-O 3.11Å; A199-L394 HydrophobicContact CB-CD1 4.24Å
200	P	98.9	Very high	98.2	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-56.2	-42.7	173.8	-29.6	36.6	0	0	0	113.8	I144 E196 T202 A203 L204 P228 V229 Y235	I144-P200 HydrophobicContact CD1-CB 4.5Å; E196-P200 WeakPolarHBondContact O-CD 3.37Å; P200-T202 VanDerWaalsContact C-N 3.26Å; P200-T202 PolarHBondContact O-N 2.94Å; P200-A203 PolarHBondContact O-N 2.84Å; P200-L204 WeakPolarHBondContact O-CG 3.22Å; P200-L204 PolarHBondContact O-N 3.14Å; P200-P228 VanDerWaalsContact CA-O 3.28Å; P200-P228 WeakPolarHBondContact CA-O 3.33Å; P200-P228 VanDerWaalsContact CB-O 3.27Å; P200-P228 WeakPolarHBondContact CB-O 3.35Å; P200-P228 WeakPolarHBondContact CG-O 3.46Å; P200-V229 HydrophobicContact CB-CG2 3.97Å; P200-V229 HydrophobicContact CG-CG2 4.2Å; P200-Y235 HydrophobicContact CG-CD2 4.48Å; P200-Y235 HydrophobicContact CG-CE2 4.3Å
201	A	98.7	Very high	97.9	Very high	10 Å²	10	11.3 Å²	11.3	8%	0.083	6%	0.059	C	C	.	.	H	α-helix	trans	-62.2	-36.2	178.7	0	0	0	0	0	112.2	Y138 W197 I198 A199 S205 I409	Y138-A201 HydrophobicContact CD1-CB 3.83Å; Y138-A201 HydrophobicContact CE1-CB 3.82Å; W197-A201 PolarHBondContact O-N 3.07Å; I198-A201 PolarHBondContact O-N 2.96Å; A199-A201 VanDerWaalsContact C-N 3.32Å; A199-A201 PolarHBondContact O-N 3.08Å; A201-S205 PolarHBondContact O-N 3.37Å; A201-S205 VanDerWaalsContact O-N 3.12Å; A201-I409 HydrophobicContact CB-CD1 4.01Å; A201-I409 HydrophobicContact CB-CG1 3.97Å; A201-I409 HydrophobicContact CB-CG2 3.93Å
202	T	98.7	Very high	97.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-73.6	-40.8	177.8	-55.1	0	0	0	0	111	I198 A199 P200 L204 S205 I206 L394 V412 L416	I198-T202 VanDerWaalsContact O-CB 3.25Å; I198-T202 WeakPolarHBondContact O-CB 3.21Å; I198-T202 PolarHBondContact O-N 3.13Å; I198-T202 PolarHBondContact O-OG1 3.15Å; A199-T202 PolarHBondContact O-N 3.47Å; A199-T202 VanDerWaalsContact O-N 3.09Å; P200-T202 VanDerWaalsContact C-N 3.26Å; P200-T202 PolarHBondContact O-N 2.94Å; T202-L204 VanDerWaalsContact C-N 3.31Å; T202-L204 PolarHBondContact O-N 3.23Å; T202-S205 WeakPolarHBondContact O-CA 3.35Å; T202-S205 WeakPolarHBondContact O-CB 3.4Å; T202-S205 PolarHBondContact O-N 2.85Å; T202-I206 WeakPolarHBondContact O-CG1 3.44Å; T202-I206 PolarHBondContact O-N 3.1Å; T202-L394 HydrophobicContact CG2-CD1 4.24Å; T202-L394 HydrophobicContact CG2-CD2 4.46Å; T202-V412 HydrophobicContact CG2-CG1 4.12Å; T202-V412 WeakPolarHBondContact OG1-CG1 3.42Å; T202-L416 HydrophobicContact CG2-CB 3.65Å; T202-L416 HydrophobicContact CG2-CD2 3.4Å; T202-L416 HydrophobicContact CG2-CG 4.15Å
203	A	98.8	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56.5	-43.7	172.8	0	0	0	0	0	112	A190 A199 P200 S205 I206 I207 I226 P228 L316	A190-A203 HydrophobicContact CB-CB 3.88Å; A199-A203 PolarHBondContact O-N 2.59Å; P200-A203 PolarHBondContact O-N 2.84Å; A203-S205 VanDerWaalsContact C-N 3.3Å; A203-S205 PolarHBondContact O-N 2.88Å; A203-I206 WeakPolarHBondContact O-CB 3.34Å; A203-I206 PolarHBondContact O-N 3.23Å; A203-I206 VanDerWaalsContact O-N 3.17Å; A203-I207 PolarHBondContact O-N 3.09Å; A203-I226 HydrophobicContact CB-CG2 4.3Å; A203-P228 HydrophobicContact CB-CB 4.21Å; A203-L316 HydrophobicContact CB-CD1 4.29Å
204	L	98.4	Very high	97	Very high	15 Å²	15	24 Å²	24	8%	0.079	13%	0.129	C	C	.	.	H	α-helix	trans	-65.2	-33.7	174.7	-63.4	168.9	0	0	0	112.9	K139 I144 Y147 L148 P200 T202 I206 I207 N208 P228	K139-L204 HydrophobicContact CD-CD1 4.42Å; I144-L204 HydrophobicContact CD1-CD1 4Å; I144-L204 HydrophobicContact CG1-CD1 3.75Å; I144-L204 HydrophobicContact CG2-CD1 4.39Å; I144-L204 HydrophobicContact CG2-CD2 4Å; Y147-L204 HydrophobicContact CD1-CD2 4.01Å; Y147-L204 HydrophobicContact CE1-CD2 4.08Å; L148-L204 HydrophobicContact CD2-CD2 4.04Å; P200-L204 WeakPolarHBondContact O-CG 3.22Å; P200-L204 PolarHBondContact O-N 3.14Å; T202-L204 VanDerWaalsContact C-N 3.31Å; T202-L204 PolarHBondContact O-N 3.23Å; L204-I206 VanDerWaalsContact C-N 3.34Å; L204-I207 HydrophobicContact CD2-CD1 4.35Å; L204-I207 PolarHBondContact O-N 3.2Å; L204-N208 PolarHBondContact O-N 2.71Å; L204-P228 HydrophobicContact CD2-CB 4.08Å; L204-P228 HydrophobicContact CD2-CG 4.14Å; L204-P228 HydrophobicContact CG-CB 4.38Å
205	S	97.3	Very high	96.8	Very high	28 Å²	28	24 Å²	24	20%	0.196	13%	0.128	C	C	.	.	H	α-helix	trans	-63.4	-40.7	173.2	-165.3	0	0	0	0	111.3	A201 T202 A203 N208 K209	A201-S205 PolarHBondContact O-N 3.37Å; A201-S205 VanDerWaalsContact O-N 3.12Å; T202-S205 WeakPolarHBondContact O-CA 3.35Å; T202-S205 WeakPolarHBondContact O-CB 3.4Å; T202-S205 PolarHBondContact O-N 2.85Å; A203-S205 VanDerWaalsContact C-N 3.3Å; A203-S205 PolarHBondContact O-N 2.88Å; S205-N208 PolarHBondContact O-N 2.79Å; S205-K209 WeakPolarHBondContact O-CG 3.47Å; S205-K209 PolarHBondContact O-N 3.22Å
206	I	98.2	Very high	96.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64	-47.9	174.3	-62	-58.6	0	0	0	111.1	I188 T202 A203 L204 N208 K209 L210 I226 L416 W417 L420	I188-I206 HydrophobicContact CD1-CG2 3.97Å; T202-I206 WeakPolarHBondContact O-CG1 3.44Å; T202-I206 PolarHBondContact O-N 3.1Å; A203-I206 WeakPolarHBondContact O-CB 3.34Å; A203-I206 PolarHBondContact O-N 3.23Å; A203-I206 VanDerWaalsContact O-N 3.17Å; L204-I206 VanDerWaalsContact C-N 3.34Å; I206-N208 VanDerWaalsContact C-N 3.27Å; I206-N208 PolarHBondContact O-N 3.36Å; I206-K209 PolarHBondContact O-N 3.48Å; I206-L210 HydrophobicContact CG2-CD1 3.95Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CG 3.45Å; I206-L210 PolarHBondContact O-N 3.14Å; I206-I226 HydrophobicContact CG2-CD1 4.08Å; I206-L416 HydrophobicContact CD1-CB 4.17Å; I206-L416 HydrophobicContact CD1-CD2 3.98Å; I206-L416 HydrophobicContact CD1-CG 3.92Å; I206-L416 HydrophobicContact CG1-CD2 3.63Å; I206-L416 HydrophobicContact CG1-CG 4.15Å; I206-W417 HydrophobicContact CD1-CB 4.2Å; I206-W417 HydrophobicContact CD1-CE3 3.96Å; I206-L420 HydrophobicContact CG2-CD2 3.83Å
207	I	98	Very high	96.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-53.4	-47.5	174.1	-69.3	167.5	0	0	0	110.2	L148 L151 M158 V175 I177 A203 L204 K209 L210 M211 I226 P228	L148-I207 HydrophobicContact CD2-CD1 3.86Å; L151-I207 HydrophobicContact CD2-CG2 3.7Å; M158-I207 HydrophobicContact SD-CG2 4.13Å; V175-I207 HydrophobicContact CB-CD1 4.36Å; V175-I207 HydrophobicContact CG2-CD1 4.08Å; I177-I207 HydrophobicContact CD1-CG1 4.31Å; I177-I207 HydrophobicContact CD1-CG2 4.28Å; A203-I207 PolarHBondContact O-N 3.09Å; L204-I207 HydrophobicContact CD2-CD1 4.35Å; L204-I207 PolarHBondContact O-N 3.2Å; I207-K209 VanDerWaalsContact C-N 3.33Å; I207-K209 PolarHBondContact O-N 2.96Å; I207-L210 PolarHBondContact O-N 2.97Å; I207-M211 WeakPolarHBondContact O-CG 3.43Å; I207-M211 PolarHBondContact O-N 3.4Å; I207-I226 HydrophobicContact CD1-CB 4.24Å; I207-I226 HydrophobicContact CD1-CG2 3.88Å; I207-I226 HydrophobicContact CG1-CB 4.26Å; I207-I226 HydrophobicContact CG1-CD1 3.68Å; I207-I226 HydrophobicContact CG1-CG2 4.07Å; I207-P228 HydrophobicContact CD1-CG 3.74Å
208	N	95	Very high	96.1	Very high	55 Å²	55	31 Å²	31	29%	0.294	17%	0.167	S	C	.	.	H	α-helix	trans	-62	-38.1	177.5	-169.1	-89.8	0	0	0	113	Y147 L204 S205 I206 M211 R212	Y147-N208 PolarHBondContact OH-ND2 2.93Å; L204-N208 PolarHBondContact O-N 2.71Å; S205-N208 PolarHBondContact O-N 2.79Å; I206-N208 VanDerWaalsContact C-N 3.27Å; I206-N208 PolarHBondContact O-N 3.36Å; N208-M211 PolarHBondContact O-N 2.84Å; N208-R212 PolarHBondContact OD1-NE 3.46Å; N208-R212 VanDerWaalsContact OD1-NE 3.16Å; N208-R212 PolarHBondContact OD1-NH2 3.24Å
209	K	95.7	Very high	95.9	Very high	59 Å²	59	30.9 Å²	30.9	26%	0.257	17%	0.167	S	C	.	.	H	α-helix	trans	-70.1	-33.8	177.7	-76.4	-62.7	-169.6	174.5	0	112.8	S205 I206 I207 M211 R212 W417	S205-K209 WeakPolarHBondContact O-CG 3.47Å; S205-K209 PolarHBondContact O-N 3.22Å; I206-K209 PolarHBondContact O-N 3.48Å; I207-K209 VanDerWaalsContact C-N 3.33Å; I207-K209 PolarHBondContact O-N 2.96Å; K209-M211 PolarHBondContact O-N 3.35Å; K209-R212 WeakPolarHBondContact O-CB 3.41Å; K209-R212 PolarHBondContact O-N 3.2Å; K209-R212 VanDerWaalsContact O-N 3.11Å; K209-W417 HydrophobicContact CB-CD2 3.88Å; K209-W417 HydrophobicContact CB-CE3 3.45Å; K209-W417 VanDerWaalsContact CB-CE3 3.45Å; K209-W417 HydrophobicContact CB-CH2 4.12Å; K209-W417 HydrophobicContact CB-CZ2 4.49Å; K209-W417 HydrophobicContact CB-CZ3 3.58Å; K209-W417 HydrophobicContact CG-CD2 4.15Å; K209-W417 HydrophobicContact CG-CE3 4.09Å; K209-W417 HydrophobicContact CG-CG 4.44Å
210	L	96.9	Very high	95.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-27.9	175.5	-71.5	166.4	0	0	0	112.2	I177 I206 I207 R212 G215 L218 F224 I226 W417	I177-L210 HydrophobicContact CD1-CB 4.17Å; I177-L210 HydrophobicContact CD1-CD1 3.74Å; I206-L210 HydrophobicContact CG2-CD1 3.95Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CG 3.45Å; I206-L210 PolarHBondContact O-N 3.14Å; I207-L210 PolarHBondContact O-N 2.97Å; L210-R212 PolarHBondContact O-N 3.28Å; L210-G215 WeakPolarHBondContact O-CA 3.33Å; L210-L218 HydrophobicContact CD2-CD1 4.49Å; L210-F224 HydrophobicContact CD1-CB 4.04Å; L210-F224 HydrophobicContact CD1-CD1 3.83Å; L210-F224 HydrophobicContact CD1-CD2 4Å; L210-F224 HydrophobicContact CD1-CE1 4.29Å; L210-F224 HydrophobicContact CD1-CE2 4.46Å; L210-F224 HydrophobicContact CD1-CG 3.66Å; L210-F224 HydrophobicContact CD2-CD1 4.37Å; L210-F224 HydrophobicContact CD2-CD2 3.81Å; L210-F224 HydrophobicContact CD2-CE1 4.1Å; L210-F224 HydrophobicContact CD2-CE2 3.51Å; L210-F224 HydrophobicContact CD2-CG 4.23Å; L210-F224 HydrophobicContact CD2-CZ 3.67Å; L210-I226 HydrophobicContact CD1-CD1 3.7Å; L210-W417 HydrophobicContact CD2-CH2 4.09Å; L210-W417 HydrophobicContact CD2-CZ3 4.01Å; L210-W417 HydrophobicContact CG-CZ3 4.14Å
211	M	93.2	Very high	95.6	Very high	24 Å²	24	41.1 Å²	41.1	12%	0.118	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-1.3	175.8	-57.7	-61.6	95.1	0	0	114.5	L151 R155 H157 I177 I207 N208 K209	L151-M211 HydrophobicContact CD1-CG 4.32Å; L151-M211 HydrophobicContact CD2-CG 4.21Å; R155-M211 HydrophobicContact CB-SD 3.99Å; R155-M211 HydrophobicContact CG-SD 3.68Å; H157-M211 WeakPolarHBondContact NE2-CE 3.45Å; I177-M211 HydrophobicContact CD1-CE 4.03Å; I177-M211 HydrophobicContact CG1-CE 4.33Å; I177-M211 HydrophobicContact CG2-CE 3.5Å; I177-M211 VanDerWaalsContact CG2-CE 3.5Å; I207-M211 WeakPolarHBondContact O-CG 3.43Å; I207-M211 PolarHBondContact O-N 3.4Å; N208-M211 PolarHBondContact O-N 2.84Å; K209-M211 PolarHBondContact O-N 3.35Å
212	R	92.7	Very high	95.6	Very high	120 Å²	120	40.9 Å²	40.9	45%	0.453	21%	0.209	S	C	.	.	S	Bend	trans	-101	166	-179.3	-63.7	179.2	-173.7	-105.5	-2	110.6	N208 K209 L210 S214 G215 Q216	N208-R212 PolarHBondContact OD1-NE 3.46Å; N208-R212 VanDerWaalsContact OD1-NE 3.16Å; N208-R212 PolarHBondContact OD1-NH2 3.24Å; K209-R212 WeakPolarHBondContact O-CB 3.41Å; K209-R212 PolarHBondContact O-N 3.2Å; K209-R212 VanDerWaalsContact O-N 3.11Å; L210-R212 PolarHBondContact O-N 3.28Å; R212-S214 PolarHBondContact O-N 2.67Å; R212-S214 VanDerWaalsContact O-N 3.11Å; R212-G215 WeakPolarHBondContact O-CA 3.28Å; R212-G215 PolarHBondContact O-N 3.44Å; R212-Q216 PolarHBondContact O-N 2.57Å
213	P	92.4	Very high	95.6	Very high	111 Å²	111	41.2 Å²	41.2	72%	0.721	21%	0.211	S	C	*	.	H	α-helix	trans	-52	-36.9	178.3	-30.2	36.6	0	0	0	114.5	G215 Q216 T217	P213-G215 VanDerWaalsContact C-N 3.25Å; P213-G215 PolarHBondContact O-N 3.35Å; P213-Q216 WeakPolarHBondContact O-CB 3.33Å; P213-Q216 PolarHBondContact O-N 3.25Å; P213-T217 PolarHBondContact O-N 3.24Å
214	S	91.4	Very high	95.6	Very high	52 Å²	52	41.2 Å²	41.2	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-62.7	-31.5	174.5	57.6	0	0	0	0	113.5	R212	R212-S214 PolarHBondContact O-N 2.67Å; R212-S214 VanDerWaalsContact O-N 3.11Å
215	G	94.2	Very high	95.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-71.7	-37.2	174.5	0	0	0	0	0	113	L210 R212 P213 T217 L218 L219	L210-G215 WeakPolarHBondContact O-CA 3.33Å; R212-G215 WeakPolarHBondContact O-CA 3.28Å; R212-G215 PolarHBondContact O-N 3.44Å; P213-G215 VanDerWaalsContact C-N 3.25Å; P213-G215 PolarHBondContact O-N 3.35Å; G215-T217 PolarHBondContact O-N 2.8Å; G215-L218 PolarHBondContact O-N 2.69Å; G215-L219 WeakPolarHBondContact O-CG 3.34Å; G215-L219 PolarHBondContact O-N 3.22Å
216	Q	92.1	Very high	95.7	Very high	89 Å²	89	39.2 Å²	39.2	42%	0.416	20%	0.198	S	C	.	.	H	α-helix	trans	-58.9	-33.8	176.9	-61.8	-66.4	57.4	0	0	112.4	R212 P213 L219 K220	R212-Q216 PolarHBondContact O-N 2.57Å; P213-Q216 WeakPolarHBondContact O-CB 3.33Å; P213-Q216 PolarHBondContact O-N 3.25Å; Q216-L219 PolarHBondContact O-N 3.26Å; Q216-L219 VanDerWaalsContact OE1-CD1 3.28Å; Q216-K220 WeakPolarHBondContact O-CG 3.28Å; Q216-K220 PolarHBondContact O-N 3.39Å; Q216-K220 VanDerWaalsContact O-N 3.1Å
217	T	93.4	Very high	95.7	Very high	79 Å²	79	39.2 Å²	39.2	49%	0.485	20%	0.198	S	C	.	.	H	α-helix	trans	-61.9	-43.1	173.6	-55.9	0	0	0	0	112.2	P213 G215 K220 H221	P213-T217 PolarHBondContact O-N 3.24Å; G215-T217 PolarHBondContact O-N 2.8Å; T217-K220 WeakPolarHBondContact O-CB 3.49Å; T217-H221 PolarHBondContact O-CD2 2.92Å
218	L	95.9	Very high	95.7	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-70.3	-39.4	175.7	-63.8	-175.2	0	0	0	111.4	L210 G215 K220 H221 F222 F224 W417 L420 T421 A424	L210-L218 HydrophobicContact CD2-CD1 4.49Å; G215-L218 PolarHBondContact O-N 2.69Å; L218-K220 PolarHBondContact O-N 3.44Å; L218-H221 PolarHBondContact O-N 2.89Å; L218-F222 PolarHBondContact O-N 2.83Å; L218-F224 HydrophobicContact CB-CE2 4.08Å; L218-F224 HydrophobicContact CB-CZ 4.03Å; L218-F224 HydrophobicContact CD1-CZ 4.07Å; L218-W417 HydrophobicContact CD1-CH2 3.63Å; L218-W417 HydrophobicContact CD1-CZ2 4.12Å; L218-W417 HydrophobicContact CD1-CZ3 4.15Å; L218-W417 HydrophobicContact CG-CH2 4.44Å; L218-L420 HydrophobicContact CD1-CD2 4.25Å; L218-L420 HydrophobicContact CD1-CG 4.26Å; L218-T421 HydrophobicContact CD1-CG2 4.11Å; L218-A424 HydrophobicContact CD2-CB 3.81Å
219	L	95.8	Very high	95.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-22.1	-179.5	-70.7	174.5	0	0	0	112.9	I177 S179 R183 G215 Q216 H221 F222 F224	I177-L219 HydrophobicContact CB-CD2 4.41Å; I177-L219 HydrophobicContact CG2-CD1 3.83Å; I177-L219 HydrophobicContact CG2-CD2 3.69Å; I177-L219 HydrophobicContact CG2-CG 4.44Å; S179-L219 PolarHBondContact OG-O 2.81Å; R183-L219 PolarHBondContact NH1-O 2.72Å; G215-L219 WeakPolarHBondContact O-CG 3.34Å; G215-L219 PolarHBondContact O-N 3.22Å; Q216-L219 PolarHBondContact O-N 3.26Å; Q216-L219 VanDerWaalsContact OE1-CD1 3.28Å; L219-H221 PolarHBondContact O-N 3.34Å; L219-F222 WeakPolarHBondContact CA-O 3.4Å; L219-F224 HydrophobicContact CD2-CD2 3.6Å; L219-F224 HydrophobicContact CD2-CE2 3.94Å
220	K	94.9	Very high	96.1	Very high	136 Å²	136	34.1 Å²	34.1	59%	0.591	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-25	169.8	-75.3	176.9	-178.5	-174.2	0	113.9	R183 Q216 T217 L218	R183-K220 WeakPolarHBondContact CD-O 3.27Å; R183-K220 PolarHBondContact NE-O 3.39Å; R183-K220 VanDerWaalsContact NH1-CA 3.28Å; R183-K220 PolarHBondContact NH1-O 3.04Å; Q216-K220 WeakPolarHBondContact O-CG 3.28Å; Q216-K220 PolarHBondContact O-N 3.39Å; Q216-K220 VanDerWaalsContact O-N 3.1Å; T217-K220 WeakPolarHBondContact O-CB 3.49Å; L218-K220 PolarHBondContact O-N 3.44Å
221	H	96.4	Very high	96.1	Very high	80 Å²	80	34.1 Å²	34.1	37%	0.37	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-26.5	-175.2	-62.5	-78.4	0	0	0	112.9	T217 L218 L219 I428	T217-H221 PolarHBondContact O-CD2 2.92Å; L218-H221 PolarHBondContact O-N 2.89Å; L219-H221 PolarHBondContact O-N 3.34Å; H221-I428 HydrophobicContact CB-CD1 3.98Å; H221-I428 HydrophobicContact CB-CG1 3.95Å
222	F	98	Very high	96.4	Very high	4 Å²	4	33 Å²	33	2%	0.018	17%	0.168	C	C	.	.			trans	-134.1	153.8	-172.6	-57.1	-75.3	0	0	0	112.6	P184 I186 L218 L219 F224 I311 A424 I427 I428	P184-F222 HydrophobicContact CB-CD1 4.11Å; P184-F222 HydrophobicContact CB-CE1 4.4Å; P184-F222 CarbonylContact O-C 3.53Å; P184-F222 VanDerWaalsContact O-CA 3.28Å; P184-F222 WeakPolarHBondContact O-CA 3.18Å; I186-F222 HydrophobicContact CD1-CB 4.08Å; I186-F222 HydrophobicContact CD1-CD1 4.02Å; I186-F222 HydrophobicContact CD1-CD2 3.96Å; I186-F222 HydrophobicContact CD1-CE1 4.49Å; I186-F222 HydrophobicContact CD1-CE2 4.43Å; I186-F222 HydrophobicContact CD1-CG 3.74Å; I186-F222 HydrophobicContact CG1-CB 4.14Å; I186-F222 HydrophobicContact CG1-CD1 3.97Å; I186-F222 HydrophobicContact CG1-CG 4.03Å; L218-F222 PolarHBondContact O-N 2.83Å; L219-F222 WeakPolarHBondContact CA-O 3.4Å; F222-F224 HydrophobicContact CB-CE2 4.05Å; F222-F224 HydrophobicContact CB-CZ 4.41Å; F222-I311 HydrophobicContact CD1-CG2 4.15Å; F222-I311 HydrophobicContact CE1-CG2 3.96Å; F222-A424 HydrophobicContact CD2-CB 4.26Å; F222-A424 HydrophobicContact CE2-CB 3.78Å; F222-A424 HydrophobicContact CZ-CB 4.48Å; F222-I427 HydrophobicContact CE1-CG2 3.85Å; F222-I427 HydrophobicContact CZ-CB 4.1Å; F222-I427 HydrophobicContact CZ-CG2 3.89Å; F222-I428 HydrophobicContact CE2-CD1 3.95Å; F222-I428 HydrophobicContact CE2-CG1 3.56Å; F222-I428 HydrophobicContact CZ-CG1 3.68Å
223	Q	98.2	Very high	96.7	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	159.5	157.3	-46.8	-174.2	70.7	0	0	108.7	M176 I177 S178 D180 S181 R183 P184 I185 I186	M176-Q223 HydrophobicContact SD-CB 4.31Å; I177-Q223 WeakPolarHBondContact O-CA 3.47Å; S178-Q223 VanDerWaalsContact OG-CD 3.29Å; S178-Q223 WeakPolarHBondContact OG-CG 3.46Å; S178-Q223 PolarHBondContact OG-OE1 3.33Å; D180-Q223 WeakPolarHBondContact O-CG 3.33Å; S181-Q223 VanDerWaalsContact C-NE2 3.3Å; S181-Q223 PolarHBondContact O-NE2 2.76Å; R183-Q223 HydrophobicContact CB-CG 3.83Å; R183-Q223 PolarHBondContact O-NE2 3.03Å; P184-Q223 PolarHBondContact O-N 3.01Å; I185-Q223 WeakPolarHBondContact CA-O 3.3Å; I185-Q223 HydrophobicContact CG1-CB 3.97Å; I185-Q223 HydrophobicContact CG1-CG 4.5Å; I186-Q223 PolarHBondContact N-O 3.27Å
224	F	98.7	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130	174.2	-69.1	-98.4	0	0	0	110	M176 I177 I186 I188 L210 L218 L219 F222 I226 L420	M176-F224 CarbonylContact C-O 3.58Å; M176-F224 WeakPolarHBondContact CA-O 3.35Å; I177-F224 HydrophobicContact CB-CB 4.29Å; I177-F224 PolarHBondContact N-O 3.21Å; I177-F224 PolarHBondContact O-N 2.85Å; I186-F224 HydrophobicContact CB-CD1 3.85Å; I186-F224 HydrophobicContact CB-CE1 3.8Å; I186-F224 HydrophobicContact CB-CZ 4.49Å; I186-F224 HydrophobicContact CD1-CE1 3.84Å; I186-F224 HydrophobicContact CD1-CZ 3.88Å; I186-F224 HydrophobicContact CG1-CE1 4.3Å; I186-F224 HydrophobicContact CG2-CD1 4.12Å; I186-F224 HydrophobicContact CG2-CE1 3.97Å; I186-F224 WeakPolarHBondContact O-CA 3.33Å; I188-F224 HydrophobicContact CD1-CD1 4.32Å; L210-F224 HydrophobicContact CD1-CB 4.04Å; L210-F224 HydrophobicContact CD1-CD1 3.83Å; L210-F224 HydrophobicContact CD1-CD2 4Å; L210-F224 HydrophobicContact CD1-CE1 4.29Å; L210-F224 HydrophobicContact CD1-CE2 4.46Å; L210-F224 HydrophobicContact CD1-CG 3.66Å; L210-F224 HydrophobicContact CD2-CD1 4.37Å; L210-F224 HydrophobicContact CD2-CD2 3.81Å; L210-F224 HydrophobicContact CD2-CE1 4.1Å; L210-F224 HydrophobicContact CD2-CE2 3.51Å; L210-F224 HydrophobicContact CD2-CG 4.23Å; L210-F224 HydrophobicContact CD2-CZ 3.67Å; L218-F224 HydrophobicContact CB-CE2 4.08Å; L218-F224 HydrophobicContact CB-CZ 4.03Å; L218-F224 HydrophobicContact CD1-CZ 4.07Å; L219-F224 HydrophobicContact CD2-CD2 3.6Å; L219-F224 HydrophobicContact CD2-CE2 3.94Å; F222-F224 HydrophobicContact CB-CE2 4.05Å; F222-F224 HydrophobicContact CB-CZ 4.41Å; F224-I226 HydrophobicContact CB-CD1 4.18Å; F224-I226 HydrophobicContact CB-CG1 4.14Å; F224-L420 HydrophobicContact CE1-CD1 3.93Å; F224-L420 HydrophobicContact CE1-CD2 3.78Å; F224-L420 HydrophobicContact CE1-CG 4.33Å; F224-L420 HydrophobicContact CZ-CD2 4.35Å
225	F	98.8	Very high	97.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.3	165.3	-168.6	-95.2	0	0	0	108.5	E161 F163 V175 M176 I185 I186 W187 I188 V227 K302 L306	E161-F225 HydrophobicContact CG-CE2 4.22Å; E161-F225 WeakPolarHBondContact OE1-CE2 3.45Å; E161-F225 WeakPolarHBondContact OE1-CZ 3.26Å; F163-F225 HydrophobicContact CD1-CZ 4.42Å; V175-F225 WeakPolarHBondContact O-CA 3.46Å; M176-F225 HydrophobicContact CB-CD2 4.26Å; M176-F225 HydrophobicContact CE-CB 4.28Å; M176-F225 HydrophobicContact CE-CD2 3.75Å; M176-F225 HydrophobicContact CE-CG 4.45Å; M176-F225 HydrophobicContact SD-CD2 4.42Å; I185-F225 HydrophobicContact CG2-CB 3.97Å; I186-F225 PolarHBondContact O-N 3.26Å; W187-F225 WeakPolarHBondContact CA-O 3.36Å; W187-F225 HydrophobicContact CD2-CD1 4.04Å; W187-F225 HydrophobicContact CE3-CB 4.33Å; W187-F225 AromaticContact CE3-CD1 3.49Å; W187-F225 HydrophobicContact CE3-CD1 3.49Å; W187-F225 VanDerWaalsContact CE3-CD1 3.49Å; W187-F225 HydrophobicContact CE3-CE1 4.24Å; W187-F225 HydrophobicContact CE3-CG 4.25Å; W187-F225 AromaticContact CH2-CD1 3.76Å; W187-F225 HydrophobicContact CH2-CD1 3.76Å; W187-F225 AromaticContact CH2-CE1 3.65Å; W187-F225 HydrophobicContact CH2-CE1 3.65Å; W187-F225 HydrophobicContact CZ2-CD1 4.26Å; W187-F225 HydrophobicContact CZ2-CE1 4.28Å; W187-F225 AromaticContact CZ3-CD1 3.35Å; W187-F225 HydrophobicContact CZ3-CD1 3.35Å; W187-F225 AromaticContact CZ3-CE1 3.63Å; W187-F225 HydrophobicContact CZ3-CE1 3.63Å; W187-F225 HydrophobicContact CZ3-CG 4.31Å; I188-F225 PolarHBondContact N-O 2.64Å; F225-V227 HydrophobicContact CD1-CG2 4.12Å; F225-V227 HydrophobicContact CE1-CG2 3.59Å; F225-V227 HydrophobicContact CZ-CG2 4.49Å; F225-K302 HydrophobicContact CE1-CD 4.49Å; F225-K302 HydrophobicContact CE1-CG 3.78Å; F225-K302 HydrophobicContact CE2-CD 4.45Å; F225-K302 HydrophobicContact CZ-CD 4Å; F225-K302 HydrophobicContact CZ-CG 3.77Å; F225-L306 HydrophobicContact CB-CD1 4.14Å; F225-L306 HydrophobicContact CD1-CD1 4.38Å; F225-L306 HydrophobicContact CD2-CD1 4.08Å; F225-L306 HydrophobicContact CG-CD1 3.92Å
226	I	98.9	Very high	97.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.3	-172.7	-54.5	-179.7	0	0	0	109.8	V175 I177 I188 A203 I206 I207 L210 F224 P228	V175-I226 PolarHBondContact N-O 3.46Å; V175-I226 PolarHBondContact O-N 3.01Å; I177-I226 HydrophobicContact CD1-CD1 4.37Å; I188-I226 HydrophobicContact CB-CG1 4.19Å; I188-I226 HydrophobicContact CB-CG2 4.31Å; I188-I226 HydrophobicContact CD1-CD1 4.3Å; I188-I226 HydrophobicContact CD1-CG1 4.45Å; I188-I226 HydrophobicContact CG1-CG1 4.49Å; I188-I226 CarbonylContact O-C 3.55Å; I188-I226 WeakPolarHBondContact O-CA 3.37Å; A203-I226 HydrophobicContact CB-CG2 4.3Å; I206-I226 HydrophobicContact CG2-CD1 4.08Å; I207-I226 HydrophobicContact CD1-CB 4.24Å; I207-I226 HydrophobicContact CD1-CG2 3.88Å; I207-I226 HydrophobicContact CG1-CB 4.26Å; I207-I226 HydrophobicContact CG1-CD1 3.68Å; I207-I226 HydrophobicContact CG1-CG2 4.07Å; L210-I226 HydrophobicContact CD1-CD1 3.7Å; F224-I226 HydrophobicContact CB-CD1 4.18Å; F224-I226 HydrophobicContact CB-CG1 4.14Å; I226-P228 HydrophobicContact CG2-CG 4.29Å; I226-P228 WeakPolarHBondContact O-CD 3.28Å
227	V	98.9	Very high	97.9	Very high	1 Å²	1	19 Å²	19	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	95.1	173.6	-175.5	0	0	0	0	108.7	F163 W187 I188 D189 A190 F225 V229 V230	F163-V227 HydrophobicContact CE1-CG1 3.92Å; F163-V227 HydrophobicContact CE1-CG2 3.83Å; F163-V227 HydrophobicContact CZ-CG1 3.9Å; F163-V227 HydrophobicContact CZ-CG2 3.93Å; W187-V227 HydrophobicContact CH2-CG2 4.45Å; W187-V227 HydrophobicContact CZ2-CG2 3.97Å; I188-V227 PolarHBondContact O-N 3.33Å; D189-V227 WeakPolarHBondContact CA-O 3.38Å; D189-V227 HydrophobicContact CB-CB 4.03Å; A190-V227 PolarHBondContact N-O 3.42Å; F225-V227 HydrophobicContact CD1-CG2 4.12Å; F225-V227 HydrophobicContact CE1-CG2 3.59Å; F225-V227 HydrophobicContact CZ-CG2 4.49Å; V227-V229 VanDerWaalsContact C-N 3.31Å; V227-V229 PolarHBondContact O-N 3.12Å; V227-V230 HydrophobicContact CB-CG2 4.33Å; V227-V230 HydrophobicContact CG1-CG2 3.75Å
228	P	98.8	Very high	98.1	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.006	7%	0.067	C	C	.	.	S	Bend	trans	-67.7	-27.4	-173	-25.5	37.5	0	0	0	114.8	I144 L148 A190 P200 A203 L204 I207 I226	I144-P228 HydrophobicContact CG2-CB 4.44Å; L148-P228 HydrophobicContact CD1-CG 4.16Å; A190-P228 WeakPolarHBondContact CB-O 3.19Å; P200-P228 VanDerWaalsContact CA-O 3.28Å; P200-P228 WeakPolarHBondContact CA-O 3.33Å; P200-P228 VanDerWaalsContact CB-O 3.27Å; P200-P228 WeakPolarHBondContact CB-O 3.35Å; P200-P228 WeakPolarHBondContact CG-O 3.46Å; A203-P228 HydrophobicContact CB-CB 4.21Å; L204-P228 HydrophobicContact CD2-CB 4.08Å; L204-P228 HydrophobicContact CD2-CG 4.14Å; L204-P228 HydrophobicContact CG-CB 4.38Å; I207-P228 HydrophobicContact CD1-CG 3.74Å; I226-P228 HydrophobicContact CG2-CG 4.29Å; I226-P228 WeakPolarHBondContact O-CD 3.28Å
229	V	98.9	Very high	98.2	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.024	8%	0.075	C	C	.	.			trans	-141.3	102.2	178.9	-171.2	0	0	0	0	108.6	F141 I144 A190 P200 V227 P232 Y235	F141-V229 HydrophobicContact CD2-CB 4.29Å; F141-V229 HydrophobicContact CD2-CG1 4.4Å; F141-V229 HydrophobicContact CD2-CG2 4.42Å; I144-V229 HydrophobicContact CD1-CG2 3.68Å; A190-V229 CarbonylContact O-C 3.57Å; A190-V229 WeakPolarHBondContact O-CA 3Å; P200-V229 HydrophobicContact CB-CG2 3.97Å; P200-V229 HydrophobicContact CG-CG2 4.2Å; V227-V229 VanDerWaalsContact C-N 3.31Å; V227-V229 PolarHBondContact O-N 3.12Å; V229-P232 HydrophobicContact CG1-CG 4.26Å; V229-Y235 HydrophobicContact CG1-CD1 4.36Å; V229-Y235 HydrophobicContact CG1-CG 4.17Å
230	V	98.8	Very high	98.2	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	9%	0.093	C	C	.	.	S	Bend	trans	-73.1	-36.3	176.1	169.5	0	0	0	0	111.9	M172 D189 A190 I192 V227 P232 L262 I299	M172-V230 HydrophobicContact CE-CG1 4.22Å; M172-V230 VanDerWaalsContact CE-O 3.24Å; M172-V230 WeakPolarHBondContact CE-O 3.25Å; D189-V230 HydrophobicContact CB-CG2 3.72Å; A190-V230 PolarHBondContact O-N 3Å; I192-V230 HydrophobicContact CB-CB 4.05Å; I192-V230 HydrophobicContact CB-CG1 4.02Å; I192-V230 HydrophobicContact CD1-CG1 4.24Å; I192-V230 HydrophobicContact CG1-CB 4.46Å; I192-V230 HydrophobicContact CG1-CG1 3.87Å; V227-V230 HydrophobicContact CB-CG2 4.33Å; V227-V230 HydrophobicContact CG1-CG2 3.75Å; V230-P232 WeakPolarHBondContact O-CD 3.28Å; V230-L262 HydrophobicContact CG1-CD1 4.32Å; V230-I299 HydrophobicContact CG1-CD1 3.4Å; V230-I299 VanDerWaalsContact CG1-CD1 3.4Å; V230-I299 HydrophobicContact CG1-CG1 4.38Å
231	N	98.8	Very high	98.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.			trans	-114.3	72	-179.9	180	4.5	0	0	0	111.6	G191 I192 D233 G234 Y235 K247 N248 L262	G191-N231 VanDerWaalsContact O-CB 3.28Å; G191-N231 WeakPolarHBondContact O-CB 3.38Å; G191-N231 PolarHBondContact O-N 2.85Å; I192-N231 WeakPolarHBondContact O-CB 3.43Å; I192-N231 PolarHBondContact O-ND2 3.05Å; N231-D233 VanDerWaalsContact C-N 3.25Å; N231-D233 PolarHBondContact O-N 2.59Å; N231-G234 WeakPolarHBondContact OD1-CA 3.41Å; N231-G234 PolarHBondContact OD1-N 3.37Å; N231-Y235 VanDerWaalsContact O-CB 3.31Å; N231-Y235 WeakPolarHBondContact O-CB 3.02Å; N231-Y235 PolarHBondContact O-N 3.13Å; N231-K247 VanDerWaalsContact ND2-C 3.29Å; N231-K247 PolarHBondContact ND2-O 3.3Å; N231-N248 WeakPolarHBondContact ND2-CA 3.41Å; N231-N248 PolarHBondContact ND2-N 2.99Å; N231-N248 WeakPolarHBondContact OD1-CA 3.44Å; N231-L262 HydrophobicContact CB-CD1 3.97Å
232	P	98.9	Very high	98.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-52.7	-39.5	177.7	-29.5	33.1	0	0	0	114.5	F141 T166 R170 V229 V230 Y235 E236	F141-P232 HydrophobicContact CD1-CB 4.29Å; F141-P232 HydrophobicContact CD2-CB 3.79Å; F141-P232 HydrophobicContact CD2-CG 4.1Å; F141-P232 HydrophobicContact CE1-CB 4.21Å; F141-P232 HydrophobicContact CE2-CB 3.72Å; F141-P232 HydrophobicContact CE2-CG 3.62Å; F141-P232 HydrophobicContact CG-CB 4.09Å; F141-P232 HydrophobicContact CZ-CB 3.95Å; F141-P232 HydrophobicContact CZ-CG 3.96Å; T166-P232 HydrophobicContact CG2-CB 4.09Å; T166-P232 HydrophobicContact CG2-CG 3.8Å; R170-P232 HydrophobicContact CB-CB 3.9Å; V229-P232 HydrophobicContact CG1-CG 4.26Å; V230-P232 WeakPolarHBondContact O-CD 3.28Å; P232-Y235 PolarHBondContact O-N 2.69Å; P232-E236 PolarHBondContact O-N 2.98Å
233	D	98.8	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.6	-52.7	-175.4	-62.4	-7.8	0	0	0	111.3	T166 A167 E168 R170 N231 Y235 E236 Y237 R249	T166-D233 VanDerWaalsContact CB-CG 3.44Å; T166-D233 WeakPolarHBondContact CB-OD1 3.42Å; T166-D233 WeakPolarHBondContact CB-OD2 3.36Å; T166-D233 PolarHBondContact OG1-OD1 3.39Å; T166-D233 PolarHBondContact OG1-OD2 3.39Å; A167-D233 PolarHBondContact N-OD2 2.83Å; E168-D233 HydrophobicContact CB-CB 4.46Å; E168-D233 VanDerWaalsContact CB-OD2 3.28Å; E168-D233 WeakPolarHBondContact CB-OD2 3.22Å; E168-D233 HydrophobicContact CG-CB 4.24Å; E168-D233 WeakPolarHBondContact CG-OD2 3.34Å; E168-D233 PolarHBondContact N-OD2 3.5Å; R170-D233 WeakPolarHBondContact CD-OD1 3.5Å; R170-D233 WeakPolarHBondContact CG-OD1 2.93Å; R170-D233 IonicContact CZ-OD1 3.08Å; R170-D233 IonicContact NE-OD1 2.64Å; R170-D233 VanDerWaalsContact NH1-CG 3.31Å; R170-D233 IonicContact NH1-OD1 3.99Å; R170-D233 PolarHBondContact NH1-OD1 3.01Å; N231-D233 VanDerWaalsContact C-N 3.25Å; N231-D233 PolarHBondContact O-N 2.59Å; D233-Y235 VanDerWaalsContact C-N 3.29Å; D233-Y235 PolarHBondContact O-N 2.89Å; D233-E236 PolarHBondContact O-N 3.07Å; D233-Y237 WeakPolarHBondContact O-CB 3.28Å; D233-Y237 PolarHBondContact O-N 3.46Å; D233-R249 HydrophobicContact CB-CB 3.82Å; D233-R249 HydrophobicContact CB-CG 3.72Å
234	G	98.8	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.1	-43.2	175.3	0	0	0	0	0	110.8	A194 N231 E236 Y237 T238	A194-G234 WeakPolarHBondContact CB-O 3.23Å; N231-G234 WeakPolarHBondContact OD1-CA 3.41Å; N231-G234 PolarHBondContact OD1-N 3.37Å; G234-E236 PolarHBondContact O-N 2.88Å; G234-Y237 WeakPolarHBondContact O-CB 3.39Å; G234-Y237 PolarHBondContact O-N 2.81Å; G234-T238 WeakPolarHBondContact O-CG2 3.36Å; G234-T238 PolarHBondContact O-N 3.4Å
235	Y	98.9	Very high	98.1	Very high	3 Å²	3	16.7 Å²	16.7	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-58.5	-48.5	178.7	-177.1	-109.2	0	0	0	112.1	K139 F141 I144 W197 P200 V229 N231 P232 D233 Y237 T238 R239	K139-Y235 WeakPolarHBondContact O-CE1 3.39Å; K139-Y235 PolarHBondContact O-OH 2.91Å; F141-Y235 HydrophobicContact CB-CD1 4.29Å; I144-Y235 HydrophobicContact CD1-CE1 4.21Å; W197-Y235 HydrophobicContact CB-CE2 4.43Å; W197-Y235 AromaticContact CD1-CD2 3.87Å; W197-Y235 AromaticContact CD1-CE2 3.48Å; W197-Y235 VanDerWaalsContact CD1-CE2 3.48Å; W197-Y235 HydrophobicContact CD2-CE2 4.49Å; W197-Y235 AromaticContact CG-CE2 3.91Å; W197-Y235 HydrophobicContact CG-CE2 3.91Å; W197-Y235 AromaticContact NE1-CE2 3.82Å; P200-Y235 HydrophobicContact CG-CD2 4.48Å; P200-Y235 HydrophobicContact CG-CE2 4.3Å; V229-Y235 HydrophobicContact CG1-CD1 4.36Å; V229-Y235 HydrophobicContact CG1-CG 4.17Å; N231-Y235 VanDerWaalsContact O-CB 3.31Å; N231-Y235 WeakPolarHBondContact O-CB 3.02Å; N231-Y235 PolarHBondContact O-N 3.13Å; P232-Y235 PolarHBondContact O-N 2.69Å; D233-Y235 VanDerWaalsContact C-N 3.29Å; D233-Y235 PolarHBondContact O-N 2.89Å; Y235-Y237 VanDerWaalsContact C-N 3.33Å; Y235-Y237 PolarHBondContact O-N 3.13Å; Y235-T238 PolarHBondContact O-N 3.08Å; Y235-T238 PolarHBondContact O-OG1 3.34Å; Y235-R239 WeakPolarHBondContact O-CG 3.45Å; Y235-R239 PolarHBondContact O-N 2.69Å
236	E	98.7	Very high	98.1	Very high	24 Å²	24	17.2 Å²	17.2	11%	0.112	8%	0.076	C	C	.	.	H	α-helix	trans	-66.7	-35	175.9	-76.5	-59	119.2	0	0	112.6	S140 F141 P232 D233 G234 T238 R239 T240	S140-E236 WeakPolarHBondContact CA-OE1 3.14Å; S140-E236 WeakPolarHBondContact CB-OE1 3.34Å; F141-E236 HydrophobicContact CB-CG 3.66Å; F141-E236 VanDerWaalsContact CB-OE1 3.3Å; F141-E236 WeakPolarHBondContact CB-OE1 3.49Å; F141-E236 PolarHBondContact N-OE1 3.15Å; P232-E236 PolarHBondContact O-N 2.98Å; D233-E236 PolarHBondContact O-N 3.07Å; G234-E236 PolarHBondContact O-N 2.88Å; E236-T238 VanDerWaalsContact C-N 3.3Å; E236-T238 PolarHBondContact O-N 3.34Å; E236-R239 PolarHBondContact O-N 2.76Å; E236-R239 VanDerWaalsContact O-N 3.14Å; E236-R239 WeakPolarHBondContact OE1-CD 3.46Å; E236-R239 IonicContact OE1-NE 3.4Å; E236-T240 WeakPolarHBondContact O-CB 3.49Å; E236-T240 WeakPolarHBondContact O-CG2 3.35Å; E236-T240 PolarHBondContact O-N 3.41Å; E236-T240 PolarHBondContact O-OG1 2.78Å
237	Y	98.4	Very high	98.1	Very high	50 Å²	50	17.6 Å²	17.6	20%	0.196	8%	0.078	C	C	.	.	H	α-helix	trans	-62	-38.2	175.4	-167.9	-110.3	0	0	0	112	D233 G234 Y235 R239 T240 K241 Y242 W245 R249	D233-Y237 WeakPolarHBondContact O-CB 3.28Å; D233-Y237 PolarHBondContact O-N 3.46Å; G234-Y237 WeakPolarHBondContact O-CB 3.39Å; G234-Y237 PolarHBondContact O-N 2.81Å; Y235-Y237 VanDerWaalsContact C-N 3.33Å; Y235-Y237 PolarHBondContact O-N 3.13Å; Y237-R239 VanDerWaalsContact C-N 3.31Å; Y237-R239 PolarHBondContact O-N 2.81Å; Y237-T240 PolarHBondContact O-N 3.33Å; Y237-K241 HydrophobicContact CD2-CB 3.67Å; Y237-K241 HydrophobicContact CD2-CG 3.83Å; Y237-K241 HydrophobicContact CE1-CB 4.43Å; Y237-K241 HydrophobicContact CE2-CB 3.4Å; Y237-K241 VanDerWaalsContact CE2-CB 3.4Å; Y237-K241 HydrophobicContact CE2-CG 3.66Å; Y237-K241 HydrophobicContact CG-CB 4.27Å; Y237-K241 WeakPolarHBondContact O-CA 3.22Å; Y237-K241 PolarHBondContact O-N 3.05Å; Y237-Y242 HydrophobicContact CE1-CD1 4.25Å; Y237-Y242 HydrophobicContact CE1-CG 4.23Å; Y237-Y242 PolarHBondContact O-N 2.9Å; Y237-W245 HydrophobicContact CD1-CB 3.81Å; Y237-W245 AromaticContact CD1-CD1 3.99Å; Y237-W245 AromaticContact CD1-CD2 3.83Å; Y237-W245 HydrophobicContact CD1-CD2 3.83Å; Y237-W245 HydrophobicContact CD1-CE3 4.3Å; Y237-W245 AromaticContact CD1-CG 3.58Å; Y237-W245 HydrophobicContact CD1-CG 3.58Å; Y237-W245 HydrophobicContact CE1-CB 4.25Å; Y237-W245 AromaticContact CE1-CD2 3.82Å; Y237-W245 HydrophobicContact CE1-CD2 3.82Å; Y237-W245 AromaticContact CE1-CE3 3.81Å; Y237-W245 HydrophobicContact CE1-CE3 3.81Å; Y237-W245 HydrophobicContact CE1-CG 4.02Å; Y237-W245 HydrophobicContact CE1-CZ3 4.48Å; Y237-R249 VanDerWaalsContact CE1-NH1 3.33Å
238	T	98.5	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.2	-31.3	174.4	63.9	0	0	0	0	113.9	A194 W197 G234 Y235 E236 Y242 R243 W245	A194-T238 HydrophobicContact CB-CG2 3.77Å; W197-T238 PolarHBondContact NE1-OG1 3.05Å; G234-T238 WeakPolarHBondContact O-CG2 3.36Å; G234-T238 PolarHBondContact O-N 3.4Å; Y235-T238 PolarHBondContact O-N 3.08Å; Y235-T238 PolarHBondContact O-OG1 3.34Å; E236-T238 VanDerWaalsContact C-N 3.3Å; E236-T238 PolarHBondContact O-N 3.34Å; T238-Y242 WeakPolarHBondContact CA-O 3.12Å; T238-R243 WeakPolarHBondContact CB-O 3.49Å; T238-R243 WeakPolarHBondContact CG2-O 3.41Å; T238-R243 VanDerWaalsContact O-CA 3.3Å; T238-R243 WeakPolarHBondContact O-CA 3.43Å; T238-W245 HydrophobicContact CG2-CB 3.77Å; T238-W245 WeakPolarHBondContact CG2-O 3.38Å
239	R	96.8	Very high	98.1	Very high	47 Å²	47	19 Å²	19	18%	0.177	8%	0.083	C	C	.	.	H	α-helix	trans	-74	-37.3	177.3	-67.3	178.3	63.3	93.8	0.1	112	Y138 K139 S140 W197 Y235 E236 Y237	Y138-R239 PolarHBondContact O-NH1 2.88Å; K139-R239 PolarHBondContact O-NH1 3.22Å; K139-R239 VanDerWaalsContact O-NH1 3.07Å; S140-R239 VanDerWaalsContact N-CZ 3.26Å; W197-R239 HydrophobicContact CH2-CG 3.89Å; W197-R239 HydrophobicContact CZ2-CB 4.12Å; W197-R239 HydrophobicContact CZ2-CG 3.38Å; Y235-R239 WeakPolarHBondContact O-CG 3.45Å; Y235-R239 PolarHBondContact O-N 2.69Å; E236-R239 PolarHBondContact O-N 2.76Å; E236-R239 VanDerWaalsContact O-N 3.14Å; E236-R239 WeakPolarHBondContact OE1-CD 3.46Å; E236-R239 IonicContact OE1-NE 3.4Å; Y237-R239 VanDerWaalsContact C-N 3.31Å; Y237-R239 PolarHBondContact O-N 2.81Å
240	T	96.1	Very high	98	Very high	62 Å²	62	19.3 Å²	19.3	38%	0.38	9%	0.086	S	C	.	.	H	α-helix	trans	-110.8	-15.2	-164.6	60.6	0	0	0	0	115.1	H33 E236 Y237	H33-T240 PolarHBondContact CE1-O 2.9Å; H33-T240 PolarHBondContact ND1-O 3.38Å; H33-T240 PolarHBondContact NE2-O 2.78Å; E236-T240 WeakPolarHBondContact O-CB 3.49Å; E236-T240 WeakPolarHBondContact O-CG2 3.35Å; E236-T240 PolarHBondContact O-N 3.41Å; E236-T240 PolarHBondContact O-OG1 2.78Å; Y237-T240 PolarHBondContact O-N 3.33Å
241	K	96.2	Very high	97.9	Very high	62 Å²	62	25 Å²	25	27%	0.27	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.6	-63.3	-174.6	-62.5	-65.7	177.8	-176.6	0	113.1	A31 V34 Y237	A31-K241 HydrophobicContact CB-CD 4.48Å; A31-K241 PolarHBondContact O-NZ 2.86Å; V34-K241 PolarHBondContact N-O 3.49Å; Y237-K241 HydrophobicContact CD2-CB 3.67Å; Y237-K241 HydrophobicContact CD2-CG 3.83Å; Y237-K241 HydrophobicContact CE1-CB 4.43Å; Y237-K241 HydrophobicContact CE2-CB 3.4Å; Y237-K241 VanDerWaalsContact CE2-CB 3.4Å; Y237-K241 HydrophobicContact CE2-CG 3.66Å; Y237-K241 HydrophobicContact CG-CB 4.27Å; Y237-K241 WeakPolarHBondContact O-CA 3.22Å; Y237-K241 PolarHBondContact O-N 3.05Å
242	Y	96.7	Very high	97.7	Very high	54 Å²	54	26 Å²	26	21%	0.212	12%	0.119	C	C	.	.			trans	-127.8	96.6	-171.6	-173.3	155.2	0	0	0	110.6	V34 Y36 Y237 T238 L244 W245	V34-Y242 HydrophobicContact CB-CD1 4.36Å; V34-Y242 HydrophobicContact CB-CD2 4.49Å; V34-Y242 HydrophobicContact CB-CG 4.08Å; V34-Y242 HydrophobicContact CG1-CD1 4.47Å; V34-Y242 HydrophobicContact CG1-CD2 4.43Å; V34-Y242 HydrophobicContact CG1-CG 4.37Å; V34-Y242 HydrophobicContact CG2-CD1 3.7Å; V34-Y242 HydrophobicContact CG2-CE1 4.39Å; V34-Y242 HydrophobicContact CG2-CG 3.82Å; Y36-Y242 WeakPolarHBondContact OH-CD2 3.35Å; Y36-Y242 WeakPolarHBondContact OH-CE2 3.32Å; Y237-Y242 HydrophobicContact CE1-CD1 4.25Å; Y237-Y242 HydrophobicContact CE1-CG 4.23Å; Y237-Y242 PolarHBondContact O-N 2.9Å; T238-Y242 WeakPolarHBondContact CA-O 3.12Å; Y242-L244 VanDerWaalsContact C-N 3.34Å; Y242-L244 HydrophobicContact CE2-CB 4.08Å; Y242-L244 PolarHBondContact O-N 3.09Å; Y242-W245 AromaticContact CD1-CE3 3.68Å; Y242-W245 HydrophobicContact CD1-CE3 3.68Å; Y242-W245 HydrophobicContact CD1-CZ3 4.35Å; Y242-W245 HydrophobicContact CD2-CB 4.11Å; Y242-W245 AromaticContact CE1-CE3 3.93Å; Y242-W245 HydrophobicContact CE1-CE3 3.93Å; Y242-W245 HydrophobicContact CE1-CZ3 4.4Å; Y242-W245 HydrophobicContact CG-CB 4.05Å; Y242-W245 HydrophobicContact CG-CE3 4.28Å; Y242-W245 VanDerWaalsContact O-CB 3.28Å; Y242-W245 WeakPolarHBondContact O-CB 3.21Å; Y242-W245 PolarHBondContact O-N 3.27Å; Y242-W245 VanDerWaalsContact O-N 3.07Å
243	R	97.2	Very high	97.3	Very high	4 Å²	4	35 Å²	35	2%	0.015	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.7	-171.5	-179.8	58.2	-172.3	85.4	-1.7	115.6	I113 E116 R195 W197 T238 F402 L403	I113-R243 HydrophobicContact CD1-CB 4.17Å; I113-R243 HydrophobicContact CD1-CG 4.26Å; I113-R243 HydrophobicContact CG1-CG 4.13Å; I113-R243 HydrophobicContact CG2-CB 4.23Å; I113-R243 HydrophobicContact CG2-CG 4.08Å; E116-R243 IonicContact OE1-CZ 3.88Å; E116-R243 IonicContact OE1-NE 3.83Å; E116-R243 IonicContact OE1-NH2 3.72Å; E116-R243 PolarHBondContact OE1-NH2 2.82Å; E116-R243 IonicContact OE2-CZ 2.64Å; E116-R243 IonicContact OE2-NE 3.86Å; E116-R243 PolarHBondContact OE2-NE 2.93Å; E116-R243 IonicContact OE2-NH2 3.7Å; E116-R243 PolarHBondContact OE2-NH2 3.23Å; R195-R243 PolarHBondContact O-NH1 3.33Å; W197-R243 VanDerWaalsContact CZ2-CD 3.48Å; T238-R243 WeakPolarHBondContact CB-O 3.49Å; T238-R243 WeakPolarHBondContact CG2-O 3.41Å; T238-R243 VanDerWaalsContact O-CA 3.3Å; T238-R243 WeakPolarHBondContact O-CA 3.43Å; R243-F402 PolarHBondContact NH2-O 2.82Å; R243-L403 HydrophobicContact CG-CD2 3.93Å
244	L	97.3	Very high	97.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	15.4	-178	-54.7	173.2	0	0	0	113.8	Y36 W69 L109 R195 Y242 R246 F402 L403	Y36-L244 HydrophobicContact CE1-CD1 3.81Å; Y36-L244 HydrophobicContact CE1-CG 4.49Å; Y36-L244 WeakPolarHBondContact OH-CB 3.28Å; Y36-L244 PolarHBondContact OH-N 3.2Å; W69-L244 HydrophobicContact CZ2-CD1 3.56Å; W69-L244 HydrophobicContact CZ2-CD2 3.95Å; W69-L244 HydrophobicContact CZ2-CG 4.42Å; L109-L244 HydrophobicContact CD2-CD1 3.94Å; R195-L244 WeakPolarHBondContact CD-O 3.32Å; R195-L244 PolarHBondContact NH1-O 3.36Å; Y242-L244 VanDerWaalsContact C-N 3.34Å; Y242-L244 HydrophobicContact CE2-CB 4.08Å; Y242-L244 PolarHBondContact O-N 3.09Å; L244-R246 PolarHBondContact O-N 2.85Å; L244-F402 HydrophobicContact CD2-CB 4.18Å; L244-L403 HydrophobicContact CD2-CD2 4.17Å
245	W	97.7	Very high	96.8	Very high	35 Å²	35	41.9 Å²	41.9	13%	0.133	22%	0.215	C	C	.	.			trans	-61.6	135.1	173.9	-176	-91.7	0	0	0	111.8	A194 R195 Y237 T238 Y242 K247 N248 R249 I258	A194-W245 WeakPolarHBondContact CB-O 3.36Å; R195-W245 VanDerWaalsContact CB-O 3.3Å; R195-W245 WeakPolarHBondContact CB-O 3.14Å; R195-W245 PolarHBondContact N-O 3.24Å; Y237-W245 HydrophobicContact CD1-CB 3.81Å; Y237-W245 AromaticContact CD1-CD1 3.99Å; Y237-W245 AromaticContact CD1-CD2 3.83Å; Y237-W245 HydrophobicContact CD1-CD2 3.83Å; Y237-W245 HydrophobicContact CD1-CE3 4.3Å; Y237-W245 AromaticContact CD1-CG 3.58Å; Y237-W245 HydrophobicContact CD1-CG 3.58Å; Y237-W245 HydrophobicContact CE1-CB 4.25Å; Y237-W245 AromaticContact CE1-CD2 3.82Å; Y237-W245 HydrophobicContact CE1-CD2 3.82Å; Y237-W245 AromaticContact CE1-CE3 3.81Å; Y237-W245 HydrophobicContact CE1-CE3 3.81Å; Y237-W245 HydrophobicContact CE1-CG 4.02Å; Y237-W245 HydrophobicContact CE1-CZ3 4.48Å; T238-W245 HydrophobicContact CG2-CB 3.77Å; T238-W245 WeakPolarHBondContact CG2-O 3.38Å; Y242-W245 AromaticContact CD1-CE3 3.68Å; Y242-W245 HydrophobicContact CD1-CE3 3.68Å; Y242-W245 HydrophobicContact CD1-CZ3 4.35Å; Y242-W245 HydrophobicContact CD2-CB 4.11Å; Y242-W245 AromaticContact CE1-CE3 3.93Å; Y242-W245 HydrophobicContact CE1-CE3 3.93Å; Y242-W245 HydrophobicContact CE1-CZ3 4.4Å; Y242-W245 HydrophobicContact CG-CB 4.05Å; Y242-W245 HydrophobicContact CG-CE3 4.28Å; Y242-W245 VanDerWaalsContact O-CB 3.28Å; Y242-W245 WeakPolarHBondContact O-CB 3.21Å; Y242-W245 PolarHBondContact O-N 3.27Å; Y242-W245 VanDerWaalsContact O-N 3.07Å; W245-K247 HydrophobicContact CZ2-CB 4.25Å; W245-K247 PolarHBondContact NE1-O 2.85Å; W245-N248 WeakPolarHBondContact CZ2-O 3.05Å; W245-N248 PolarHBondContact NE1-O 3.37Å; W245-R249 VanDerWaalsContact CE2-NH1 3.29Å; W245-I258 HydrophobicContact CH2-CB 4.3Å; W245-I258 WeakPolarHBondContact CH2-O 3.36Å; W245-I258 HydrophobicContact CZ2-CG2 4.43Å; W245-I258 VanDerWaalsContact CZ2-O 3.31Å; W245-I258 WeakPolarHBondContact CZ2-O 2.97Å
246	R	98.1	Very high	96.5	Very high	12 Å²	12	48.9 Å²	48.9	5%	0.045	25%	0.252	C	S	.	.			trans	-105.8	-49.2	-172.2	-168.8	-168.8	169.6	-67.7	2.7	113.8	H193 A194 L244 D261 D283	H193-R246 WeakPolarHBondContact CA-O 3.32Å; H193-R246 HydrophobicContact CB-CG 4.24Å; H193-R246 PolarHBondContact CD2-NH1 2.71Å; H193-R246 PolarHBondContact CE1-NH2 3.2Å; H193-R246 PolarHBondContact NE2-NH2 2.97Å; A194-R246 PolarHBondContact N-O 2.81Å; L244-R246 PolarHBondContact O-N 2.85Å; R246-D261 VanDerWaalsContact CZ-CG 3.47Å; R246-D261 IonicContact CZ-OD1 3.69Å; R246-D261 IonicContact CZ-OD2 3.33Å; R246-D261 IonicContact NH1-OD1 2.85Å; R246-D261 PolarHBondContact NH1-OD1 3.2Å; R246-D261 IonicContact NH1-OD2 3.5Å; R246-D261 PolarHBondContact NH1-OD2 2.99Å; R246-D261 VanDerWaalsContact NH2-CG 3.3Å; R246-D261 IonicContact NH2-OD1 2.77Å; R246-D261 PolarHBondContact NH2-OD1 3.42Å; R246-D261 IonicContact NH2-OD2 2.9Å; R246-D261 PolarHBondContact NH2-OD2 3.02Å; R246-D283 WeakPolarHBondContact CD-O 3.27Å; R246-D283 PolarHBondContact NH1-O 3.35Å
247	K	98.5	Very high	96.3	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.03	26%	0.258	C	S	.	.	S	Bend	trans	-73.7	178.7	-169.2	-65.2	-171.7	-63.3	165.5	0	113.3	N231 W245 I258 G259 I260 D261 S280 S282	N231-K247 VanDerWaalsContact ND2-C 3.29Å; N231-K247 PolarHBondContact ND2-O 3.3Å; W245-K247 HydrophobicContact CZ2-CB 4.25Å; W245-K247 PolarHBondContact NE1-O 2.85Å; K247-I258 VanDerWaalsContact CE-O 3.3Å; K247-I258 WeakPolarHBondContact CE-O 3.19Å; K247-I258 PolarHBondContact NZ-O 3.38Å; K247-G259 WeakPolarHBondContact CD-O 3.39Å; K247-G259 VanDerWaalsContact CE-O 3.3Å; K247-G259 WeakPolarHBondContact CE-O 3.37Å; K247-G259 PolarHBondContact NZ-O 3.38Å; K247-I260 WeakPolarHBondContact CB-O 3.46Å; K247-D261 HydrophobicContact CG-CB 4.5Å; K247-S280 PolarHBondContact NZ-O 2.97Å; K247-S282 WeakPolarHBondContact CD-O 3.44Å
248	N	98.7	Very high	96.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.			trans	-69.5	-166.3	163	79.7	-5.9	0	0	0	110.8	N231 W245 A250 G259 I260 L262 E293 E295	N231-N248 WeakPolarHBondContact ND2-CA 3.41Å; N231-N248 PolarHBondContact ND2-N 2.99Å; N231-N248 WeakPolarHBondContact OD1-CA 3.44Å; W245-N248 WeakPolarHBondContact CZ2-O 3.05Å; W245-N248 PolarHBondContact NE1-O 3.37Å; N248-A250 PolarHBondContact OD1-N 2.8Å; N248-G259 WeakPolarHBondContact O-CA 3.28Å; N248-G259 VanDerWaalsContact OD1-CA 3.24Å; N248-G259 WeakPolarHBondContact OD1-CA 3.48Å; N248-I260 PolarHBondContact N-O 2.91Å; N248-I260 PolarHBondContact OD1-N 3.07Å; N248-I260 PolarHBondContact OD1-O 3.43Å; N248-L262 HydrophobicContact CB-CD1 4.14Å; N248-L262 HydrophobicContact CB-CD2 4.33Å; N248-L262 HydrophobicContact CB-CG 4.1Å; N248-E293 PolarHBondContact ND2-OE2 2.79Å; N248-E295 PolarHBondContact ND2-OE2 3.33Å
249	R	98.4	Very high	96.2	Very high	32 Å²	32	49.7 Å²	49.7	12%	0.121	26%	0.263	C	S	.	.			trans	-120.9	17	-179.3	-63.2	-60.1	-57.2	164.9	4.1	113.8	E168 D233 Y237 W245	E168-R249 HydrophobicContact CG-CB 4.09Å; E168-R249 WeakPolarHBondContact OE1-CB 3.32Å; E168-R249 IonicContact OE1-NE 2.88Å; D233-R249 HydrophobicContact CB-CB 3.82Å; D233-R249 HydrophobicContact CB-CG 3.72Å; Y237-R249 VanDerWaalsContact CE1-NH1 3.33Å; W245-R249 VanDerWaalsContact CE2-NH1 3.29Å
250	A	98	Very high	96.3	Very high	11 Å²	11	47.4 Å²	47.4	9%	0.091	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-68.3	141	177.6	0	0	0	0	0	111.6	A167 N248 G259 I260 E293	A167-A250 HydrophobicContact CB-CB 3.64Å; N248-A250 PolarHBondContact OD1-N 2.8Å; A250-G259 WeakPolarHBondContact O-CA 3.35Å; A250-G259 PolarHBondContact O-N 2.91Å; A250-I260 HydrophobicContact CB-CD1 4.04Å; A250-E293 WeakPolarHBondContact CB-OE2 3.29Å
251	Q	96	Very high	96.4	Very high	121 Å²	121	44.5 Å²	44.5	57%	0.565	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-91.1	128.9	169	-179	68.7	45.3	0	0	108.4	E255 I258	Q251-E255 PolarHBondContact NE2-O 2.98Å; Q251-I258 VanDerWaalsContact OE1-CG1 3.3Å
252	T	93.9	Very high	96.5	Very high	21 Å²	21	41.6 Å²	41.6	13%	0.129	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-100.7	132.1	168.1	-50.8	0	0	0	0	108.2	E255	T252-E255 HydrophobicContact CG2-CB 4.44Å; T252-E255 HydrophobicContact CG2-CG 3.64Å; T252-E255 PolarHBondContact O-N 3.46Å
253	E	92.3	Very high	96.6	Very high	190 Å²	190	39.5 Å²	39.5	89%	0.888	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	137	177.2	-173.4	175.7	-178	0	0	110.4	E255	E253-E255 PolarHBondContact O-N 3.3Å
254	G	93.1	Very high	96.7	Very high	83 Å²	83	39.7 Å²	39.7	86%	0.856	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	-11.1	-178.1	0	0	0	0	0	115.3
255	E	93.8	Very high	96.8	Very high	61 Å²	61	39.6 Å²	39.6	29%	0.285	22%	0.216	S	C	.	.			trans	-87.2	136.9	177.9	-67.5	-61	162.1	0	0	112.4	Q251 T252 E253 S280 Y285	Q251-E255 PolarHBondContact NE2-O 2.98Å; T252-E255 HydrophobicContact CG2-CB 4.44Å; T252-E255 HydrophobicContact CG2-CG 3.64Å; T252-E255 PolarHBondContact O-N 3.46Å; E253-E255 PolarHBondContact O-N 3.3Å; E255-S280 WeakPolarHBondContact OE2-CB 3.48Å; E255-S280 PolarHBondContact OE2-OG 3.29Å; E255-Y285 PolarHBondContact OE1-OH 3.3Å
256	L	92.5	Very high	96.8	Very high	150 Å²	150	38 Å²	38	79%	0.785	21%	0.21	S	C	*	.	S	Bend	trans	-69.2	-41.5	-179.7	177.6	62.3	0	0	0	112.4
257	C	94	Very high	96.8	Very high	36 Å²	36	40.1 Å²	40.1	24%	0.243	23%	0.226	C	C	.	.	S	Bend	trans	-109.9	137	-170.4	-75	0	0	0	0	111.9	S280 C281	C257-S280 WeakPolarHBondContact CB-O 3.3Å; C257-C281 VanDerWaalsContact CB-CA 3.46Å; C257-C281 HydrophobicContact CB-CB 3.83Å; C257-C281 WeakPolarHBondContact CB-SG 3.29Å; C257-C281 WeakPolarHBondContact SG-CA 3.28Å; C257-C281 WeakPolarHBondContact SG-CB 3.49Å; C257-C281 CovalentContact SG-SG 2.05Å; C257-C281 PolarHBondContact SG-SG 3Å
258	I	96.6	Very high	96.8	Very high	53 Å²	53	41.3 Å²	41.3	27%	0.272	23%	0.231	S	C	.	.			trans	-72.4	145.6	-178.8	-63.9	176.9	0	0	0	111.2	W245 K247 Q251	W245-I258 HydrophobicContact CH2-CB 4.3Å; W245-I258 WeakPolarHBondContact CH2-O 3.36Å; W245-I258 HydrophobicContact CZ2-CG2 4.43Å; W245-I258 VanDerWaalsContact CZ2-O 3.31Å; W245-I258 WeakPolarHBondContact CZ2-O 2.97Å; K247-I258 VanDerWaalsContact CE-O 3.3Å; K247-I258 WeakPolarHBondContact CE-O 3.19Å; K247-I258 PolarHBondContact NZ-O 3.38Å; Q251-I258 VanDerWaalsContact OE1-CG1 3.3Å
259	G	98.4	Very high	96.8	Very high	1 Å²	1	46 Å²	46	1%	0.01	25%	0.251	C	S	.	.			trans	89.8	153.4	164.1	0	0	0	0	0	114.3	K247 N248 A250 Y285	K247-G259 WeakPolarHBondContact CD-O 3.39Å; K247-G259 VanDerWaalsContact CE-O 3.3Å; K247-G259 WeakPolarHBondContact CE-O 3.37Å; K247-G259 PolarHBondContact NZ-O 3.38Å; N248-G259 WeakPolarHBondContact O-CA 3.28Å; N248-G259 VanDerWaalsContact OD1-CA 3.24Å; N248-G259 WeakPolarHBondContact OD1-CA 3.48Å; A250-G259 WeakPolarHBondContact O-CA 3.35Å; A250-G259 PolarHBondContact O-N 2.91Å; G259-Y285 WeakPolarHBondContact O-CD1 3.2Å
260	I	98.7	Very high	96.8	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.			trans	-121.9	143.4	180	-65.3	75.8	0	0	0	108.2	K247 N248 A250 L262 N265 Y285 E293	K247-I260 WeakPolarHBondContact CB-O 3.46Å; N248-I260 PolarHBondContact N-O 2.91Å; N248-I260 PolarHBondContact OD1-N 3.07Å; N248-I260 PolarHBondContact OD1-O 3.43Å; A250-I260 HydrophobicContact CB-CD1 4.04Å; I260-L262 PolarHBondContact O-N 3.46Å; I260-L262 VanDerWaalsContact O-N 3.15Å; I260-N265 HydrophobicContact CG2-CB 4.12Å; I260-Y285 HydrophobicContact CD1-CE1 4.41Å; I260-Y285 HydrophobicContact CG1-CD1 3.89Å; I260-Y285 HydrophobicContact CG1-CE1 3.86Å; I260-E293 HydrophobicContact CB-CG 3.77Å; I260-E293 VanDerWaalsContact CD1-CD 3.46Å; I260-E293 WeakPolarHBondContact CD1-OE1 3.28Å; I260-E293 WeakPolarHBondContact CD1-OE2 3.33Å; I260-E293 VanDerWaalsContact CG1-CD 3.44Å; I260-E293 HydrophobicContact CG1-CG 4.15Å; I260-E293 WeakPolarHBondContact CG1-OE1 3.44Å; I260-E293 HydrophobicContact CG2-CG 3.72Å
261	D	98.7	Very high	96.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.26	C	S	.	.			trans	-72.5	100.1	166.2	-177.5	6	0	0	0	109.6	H193 R246 K247 N263 R264 N265 Y285	H193-D261 IonicContact CD2-OD1 3.17Å; H193-D261 IonicContact NE2-OD1 2.71Å; H193-D261 PolarHBondContact NE2-OD1 2.52Å; R246-D261 VanDerWaalsContact CZ-CG 3.47Å; R246-D261 IonicContact CZ-OD1 3.69Å; R246-D261 IonicContact CZ-OD2 3.33Å; R246-D261 IonicContact NH1-OD1 2.85Å; R246-D261 PolarHBondContact NH1-OD1 3.2Å; R246-D261 IonicContact NH1-OD2 3.5Å; R246-D261 PolarHBondContact NH1-OD2 2.99Å; R246-D261 VanDerWaalsContact NH2-CG 3.3Å; R246-D261 IonicContact NH2-OD1 2.77Å; R246-D261 PolarHBondContact NH2-OD1 3.42Å; R246-D261 IonicContact NH2-OD2 2.9Å; R246-D261 PolarHBondContact NH2-OD2 3.02Å; K247-D261 HydrophobicContact CG-CB 4.5Å; D261-N263 PolarHBondContact O-N 2.91Å; D261-N263 VanDerWaalsContact O-N 3.14Å; D261-N263 PolarHBondContact OD1-N 3.29Å; D261-R264 HydrophobicContact CB-CB 3.99Å; D261-R264 HydrophobicContact CB-CG 3.88Å; D261-R264 WeakPolarHBondContact O-CA 3.39Å; D261-R264 WeakPolarHBondContact O-CB 3.44Å; D261-R264 PolarHBondContact O-N 2.8Å; D261-R264 WeakPolarHBondContact OD2-CG 3.15Å; D261-R264 IonicContact OD2-CZ 3.38Å; D261-R264 IonicContact OD2-NE 3.64Å; D261-R264 IonicContact OD2-NH1 2.59Å; D261-N265 PolarHBondContact O-N 3.01Å; D261-Y285 WeakPolarHBondContact CB-O 3.27Å; D261-Y285 PolarHBondContact N-O 2.71Å
262	L	98.9	Very high	96.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-55.9	-32.6	178.8	-66.1	177.1	0	0	0	112	I192 V230 N231 N248 I260 R264 N265 F266 E293 E295	I192-L262 HydrophobicContact CD1-CB 3.9Å; I192-L262 HydrophobicContact CG1-CB 3.61Å; I192-L262 HydrophobicContact CG1-CD1 4.32Å; V230-L262 HydrophobicContact CG1-CD1 4.32Å; N231-L262 HydrophobicContact CB-CD1 3.97Å; N248-L262 HydrophobicContact CB-CD1 4.14Å; N248-L262 HydrophobicContact CB-CD2 4.33Å; N248-L262 HydrophobicContact CB-CG 4.1Å; I260-L262 PolarHBondContact O-N 3.46Å; I260-L262 VanDerWaalsContact O-N 3.15Å; L262-R264 PolarHBondContact O-N 3.37Å; L262-N265 PolarHBondContact O-N 2.83Å; L262-F266 VanDerWaalsContact O-CD2 3.26Å; L262-F266 WeakPolarHBondContact O-CD2 3.28Å; L262-F266 WeakPolarHBondContact O-CE2 3.26Å; L262-E293 HydrophobicContact CD2-CB 3.55Å; L262-E293 HydrophobicContact CD2-CG 3.75Å; L262-E295 HydrophobicContact CD1-CB 3.78Å; L262-E295 HydrophobicContact CD1-CG 4.17Å; L262-E295 HydrophobicContact CD2-CB 3.92Å
263	N	98.6	Very high	96.6	Very high	10 Å²	10	46 Å²	46	5%	0.053	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-83.4	19.7	176.6	-157.6	28.7	0	0	0	113.2	I192 H193 D261 G374 A375 T376	I192-N263 HydrophobicContact CD1-CB 3.92Å; I192-N263 HydrophobicContact CG1-CB 4.38Å; I192-N263 HydrophobicContact CG2-CB 4.46Å; H193-N263 WeakPolarHBondContact NE2-CB 3.5Å; D261-N263 PolarHBondContact O-N 2.91Å; D261-N263 VanDerWaalsContact O-N 3.14Å; D261-N263 PolarHBondContact OD1-N 3.29Å; N263-G374 CarbonylContact C-O 3.6Å; N263-A375 WeakPolarHBondContact O-CA 3.45Å; N263-A375 WeakPolarHBondContact OD1-CA 3.28Å; N263-T376 PolarHBondContact OD1-N 3.43Å; N263-T376 PolarHBondContact OD1-OG1 3.15Å
264	R	98.5	Very high	96.4	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.026	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-130.5	3.6	167.7	-63.6	-65.7	-177	-79.1	1.8	112.1	D261 L262 W270 G275 A276 R286 A373 G374	D261-R264 HydrophobicContact CB-CB 3.99Å; D261-R264 HydrophobicContact CB-CG 3.88Å; D261-R264 WeakPolarHBondContact O-CA 3.39Å; D261-R264 WeakPolarHBondContact O-CB 3.44Å; D261-R264 PolarHBondContact O-N 2.8Å; D261-R264 WeakPolarHBondContact OD2-CG 3.15Å; D261-R264 IonicContact OD2-CZ 3.38Å; D261-R264 IonicContact OD2-NE 3.64Å; D261-R264 IonicContact OD2-NH1 2.59Å; L262-R264 PolarHBondContact O-N 3.37Å; R264-W270 PolarHBondContact O-NE1 2.83Å; R264-G275 VanDerWaalsContact CD-O 3.28Å; R264-G275 WeakPolarHBondContact CD-O 3.36Å; R264-G275 PolarHBondContact NE-O 3.4Å; R264-A276 HydrophobicContact CB-CB 4.01Å; R264-A276 HydrophobicContact CG-CB 4.13Å; R264-R286 HydrophobicContact CB-CB 4.15Å; R264-A373 WeakPolarHBondContact CA-O 3.44Å; R264-A373 WeakPolarHBondContact CD-O 3.35Å; R264-G374 CarbonylContact C-O 3.44Å; R264-G374 VanDerWaalsContact CA-O 3.24Å; R264-G374 WeakPolarHBondContact CA-O 3.08Å; R264-G374 PolarHBondContact N-O 2.91Å
265	N	98.7	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.233	C	C	.	.			trans	-103.4	-4.4	-171.1	-169.1	-115	0	0	0	113.2	I260 D261 L262 R286 E289 A291 S292 E293 T296 G374	I260-N265 HydrophobicContact CG2-CB 4.12Å; D261-N265 PolarHBondContact O-N 3.01Å; L262-N265 PolarHBondContact O-N 2.83Å; N265-R286 PolarHBondContact ND2-O 2.82Å; N265-E289 PolarHBondContact ND2-O 3.46Å; N265-E289 VanDerWaalsContact ND2-O 3.15Å; N265-A291 PolarHBondContact O-N 2.79Å; N265-A291 WeakPolarHBondContact OD1-CA 3.46Å; N265-S292 PolarHBondContact ND2-OG 3.41Å; N265-S292 PolarHBondContact OD1-N 3.37Å; N265-E293 HydrophobicContact CB-CG 4.46Å; N265-E293 WeakPolarHBondContact OD1-CG 3.46Å; N265-E293 PolarHBondContact OD1-N 3.36Å; N265-T296 HydrophobicContact CB-CG2 4.45Å; N265-T296 WeakPolarHBondContact OD1-CB 3.46Å; N265-T296 PolarHBondContact OD1-OG1 3.4Å; N265-G374 PolarHBondContact N-O 3.25Å
266	F	98.8	Very high	96.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.22	C	C	.	.			trans	-74.9	146.7	180	-72.6	-100.7	0	0	0	111.9	I192 L262 F268 W270 T296 I299 I300 G374 T376 Y379	I192-F266 HydrophobicContact CD1-CE2 4.33Å; L262-F266 VanDerWaalsContact O-CD2 3.26Å; L262-F266 WeakPolarHBondContact O-CD2 3.28Å; L262-F266 WeakPolarHBondContact O-CE2 3.26Å; F266-F268 PolarHBondContact O-N 2.9Å; F266-W270 WeakPolarHBondContact O-CB 3.22Å; F266-T296 HydrophobicContact CD1-CG2 4.04Å; F266-T296 HydrophobicContact CD2-CG2 4.04Å; F266-T296 HydrophobicContact CE1-CG2 3.96Å; F266-T296 HydrophobicContact CE2-CG2 3.92Å; F266-T296 HydrophobicContact CG-CG2 4.07Å; F266-T296 HydrophobicContact CZ-CG2 3.88Å; F266-I299 HydrophobicContact CE1-CB 4.37Å; F266-I299 HydrophobicContact CE1-CG2 3.96Å; F266-I299 HydrophobicContact CZ-CB 4.21Å; F266-I299 HydrophobicContact CZ-CD1 3.98Å; F266-I299 HydrophobicContact CZ-CG2 3.93Å; F266-I300 HydrophobicContact CD1-CD1 4.22Å; F266-I300 HydrophobicContact CD1-CG1 3.99Å; F266-I300 HydrophobicContact CE1-CD1 4.47Å; F266-I300 HydrophobicContact CE1-CG1 3.91Å; F266-G374 WeakPolarHBondContact CB-O 3.32Å; F266-G374 PolarHBondContact N-O 3.35Å; F266-G374 VanDerWaalsContact O-CA 3.23Å; F266-G374 WeakPolarHBondContact O-CA 2.83Å; F266-T376 HydrophobicContact CD2-CG2 3.67Å; F266-T376 HydrophobicContact CE1-CG2 4.08Å; F266-T376 HydrophobicContact CE2-CG2 3.15Å; F266-T376 HydrophobicContact CG-CG2 4.35Å; F266-T376 HydrophobicContact CZ-CG2 3.4Å; F266-Y379 HydrophobicContact CB-CG 4.19Å; F266-Y379 AromaticContact CD1-CD1 3.67Å; F266-Y379 HydrophobicContact CD1-CD1 3.67Å; F266-Y379 HydrophobicContact CD1-CE1 4.3Å; F266-Y379 AromaticContact CD1-CG 3.84Å; F266-Y379 HydrophobicContact CD1-CG 3.84Å; F266-Y379 HydrophobicContact CE1-CD1 4.26Å; F266-Y379 HydrophobicContact CG-CG 4.43Å
267	P	98.3	Very high	96.6	Very high	58 Å²	58	31.8 Å²	31.8	38%	0.377	19%	0.188	S	C	.	.	S	Bend	trans	-72.3	-25.2	-167.1	26.5	-35.6	0	0	0	115.1	K269 W270 A290 I300 Y379	P267-K269 PolarHBondContact O-N 3.2Å; P267-K269 VanDerWaalsContact O-N 3.13Å; P267-W270 PolarHBondContact O-N 2.89Å; P267-A290 HydrophobicContact CB-CB 3.97Å; P267-I300 HydrophobicContact CG-CD1 4.19Å; P267-Y379 HydrophobicContact CG-CD2 3.79Å; P267-Y379 HydrophobicContact CG-CE2 3.58Å
268	F	98.2	Very high	96.6	Very high	32 Å²	32	33.2 Å²	33.2	14%	0.14	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	115.8	-178.7	-175.5	-96.1	0	0	0	110.3	F266 W270 F327 F329 D378 Y379 E383	F266-F268 PolarHBondContact O-N 2.9Å; F268-W270 PolarHBondContact O-N 3.47Å; F268-F327 HydrophobicContact CD1-CE1 4.39Å; F268-F327 AromaticContact CE1-CD1 3.77Å; F268-F327 HydrophobicContact CE1-CD1 3.77Å; F268-F327 AromaticContact CE1-CE1 3.47Å; F268-F327 HydrophobicContact CE1-CE1 3.47Å; F268-F327 VanDerWaalsContact CE1-CE1 3.47Å; F268-F327 HydrophobicContact CE1-CZ 4.13Å; F268-F327 HydrophobicContact CZ-CD1 4.47Å; F268-F327 AromaticContact CZ-CE1 3.83Å; F268-F327 HydrophobicContact CZ-CE1 3.83Å; F268-F327 HydrophobicContact CZ-CZ 4.03Å; F268-F329 HydrophobicContact CE1-CD1 4.09Å; F268-F329 HydrophobicContact CE1-CE1 4.02Å; F268-D378 HydrophobicContact CD1-CB 4.07Å; F268-D378 WeakPolarHBondContact CD1-O 3.48Å; F268-Y379 HydrophobicContact CB-CD2 3.97Å; F268-E383 HydrophobicContact CB-CB 4.45Å; F268-E383 HydrophobicContact CD2-CB 4.24Å
269	K	97.7	Very high	96.6	Very high	98 Å²	98	36.4 Å²	36.4	43%	0.426	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	37.1	-177.6	-59.4	-66.8	-177.4	-176.6	0	112.1	P267 G271 V272 F329 A373 G374	P267-K269 PolarHBondContact O-N 3.2Å; P267-K269 VanDerWaalsContact O-N 3.13Å; K269-G271 PolarHBondContact O-N 2.77Å; K269-V272 HydrophobicContact CB-CG1 4.26Å; K269-V272 HydrophobicContact CB-CG2 3.98Å; K269-V272 HydrophobicContact CD-CG1 4.36Å; K269-V272 WeakPolarHBondContact O-CG2 3.39Å; K269-F329 HydrophobicContact CB-CB 3.85Å; K269-F329 HydrophobicContact CB-CD1 3.94Å; K269-F329 HydrophobicContact CB-CD2 4.04Å; K269-F329 HydrophobicContact CB-CG 3.67Å; K269-F329 HydrophobicContact CD-CD2 4.32Å; K269-F329 HydrophobicContact CD-CE2 4.18Å; K269-F329 HydrophobicContact CD-CZ 4.32Å; K269-F329 HydrophobicContact CG-CD1 3.7Å; K269-F329 HydrophobicContact CG-CD2 4Å; K269-F329 HydrophobicContact CG-CE1 3.85Å; K269-F329 HydrophobicContact CG-CE2 4.14Å; K269-F329 HydrophobicContact CG-CG 3.81Å; K269-F329 HydrophobicContact CG-CZ 4.08Å; K269-A373 WeakPolarHBondContact O-CB 3.36Å; K269-G374 PolarHBondContact O-N 3.25Å
270	W	98.1	Very high	96.4	Very high	54 Å²	54	36.7 Å²	36.7	21%	0.205	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	132.2	176.6	-174.6	77.2	0	0	0	111.3	R264 F266 P267 F268 V272 R286 G287 E289 A290	R264-W270 PolarHBondContact O-NE1 2.83Å; F266-W270 WeakPolarHBondContact O-CB 3.22Å; P267-W270 PolarHBondContact O-N 2.89Å; F268-W270 PolarHBondContact O-N 3.47Å; W270-V272 PolarHBondContact O-N 3.05Å; W270-V272 VanDerWaalsContact O-N 3.13Å; W270-R286 HydrophobicContact CH2-CG 4.25Å; W270-R286 HydrophobicContact CZ2-CB 4.19Å; W270-R286 HydrophobicContact CZ2-CG 3.55Å; W270-R286 PolarHBondContact NE1-O 3.1Å; W270-R286 VanDerWaalsContact NE1-O 3.1Å; W270-G287 WeakPolarHBondContact CZ2-O 3Å; W270-E289 VanDerWaalsContact CZ2-CA 3.49Å; W270-A290 HydrophobicContact CB-CB 3.96Å; W270-A290 HydrophobicContact CD2-CB 3.87Å; W270-A290 HydrophobicContact CE3-CB 4.21Å; W270-A290 HydrophobicContact CG-CB 3.76Å
271	G	96.6	Very high	96.1	Very high	18 Å²	18	38.3 Å²	38.3	19%	0.186	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	13.3	173.4	0	0	0	0	0	116.6	K269 R286	K269-G271 PolarHBondContact O-N 2.77Å; G271-R286 PolarHBondContact O-NH1 3.25Å; G271-R286 VanDerWaalsContact O-NH1 3.09Å
272	V	96.4	Very high	95.9	Very high	53 Å²	53	38.6 Å²	38.6	32%	0.321	23%	0.225	S	C	.	.			trans	-75.4	143.1	174.7	-55.1	0	0	0	0	111.3	K269 W270 F329 A373	K269-V272 HydrophobicContact CB-CG1 4.26Å; K269-V272 HydrophobicContact CB-CG2 3.98Å; K269-V272 HydrophobicContact CD-CG1 4.36Å; K269-V272 WeakPolarHBondContact O-CG2 3.39Å; W270-V272 PolarHBondContact O-N 3.05Å; W270-V272 VanDerWaalsContact O-N 3.13Å; V272-F329 HydrophobicContact CG2-CB 3.96Å; V272-F329 HydrophobicContact CG2-CD2 3.78Å; V272-F329 HydrophobicContact CG2-CG 4.25Å; V272-A373 HydrophobicContact CG2-CB 3.97Å; V272-A373 WeakPolarHBondContact O-CB 3.38Å
273	G	92.5	Very high	95.7	Very high	59 Å²	59	40.3 Å²	40.3	61%	0.608	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	-145.2	-179.8	0	0	0	0	0	112.3
274	N	88.1	Confident	95.5	Very high	162 Å²	162	41.4 Å²	41.4	87%	0.866	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.6	12.9	-178.5	-64.9	-34.1	0	0	0	112.8	A276	N274-A276 PolarHBondContact O-N 2.88Å
275	G	91.6	Very high	95.5	Very high	7 Å²	7	41.2 Å²	41.2	7%	0.072	24%	0.241	C	C	.	.	S	Bend	trans	-73.6	-7.4	-175.2	0	0	0	0	0	114.9	R264 E371 A373	R264-G275 VanDerWaalsContact CD-O 3.28Å; R264-G275 WeakPolarHBondContact CD-O 3.36Å; R264-G275 PolarHBondContact NE-O 3.4Å; G275-E371 WeakPolarHBondContact CA-O 3.17Å; G275-A373 PolarHBondContact O-N 3.31Å
276	A	95.8	Very high	95.4	Very high	3 Å²	3	44 Å²	44	3%	0.025	25%	0.251	C	S	.	.	S	Bend	trans	-148.9	127.4	-179.6	0	0	0	0	0	110.3	R264 N274 R286 A373	R264-A276 HydrophobicContact CB-CB 4.01Å; R264-A276 HydrophobicContact CG-CB 4.13Å; N274-A276 PolarHBondContact O-N 2.88Å; A276-R286 HydrophobicContact CB-CB 3.74Å; A276-A373 HydrophobicContact CB-CB 4.06Å
277	S	95.1	Very high	95.4	Very high	14 Å²	14	44.1 Å²	44.1	10%	0.098	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-78.6	139.5	-174.9	-178.8	0	0	0	0	112	H279 S282 T284 Y285 R286	S277-H279 VanDerWaalsContact C-N 3.29Å; S277-H279 PolarHBondContact OG-N 2.97Å; S277-H279 VanDerWaalsContact OG-N 3.1Å; S277-S282 VanDerWaalsContact CB-CB 3.45Å; S277-S282 WeakPolarHBondContact CB-OG 3.36Å; S277-S282 WeakPolarHBondContact OG-CB 3.35Å; S277-T284 PolarHBondContact N-O 2.91Å; S277-Y285 WeakPolarHBondContact O-CA 3.2Å; S277-Y285 WeakPolarHBondContact O-CD2 3.27Å; S277-R286 WeakPolarHBondContact O-CG 3.39Å; S277-R286 PolarHBondContact O-N 2.92Å
278	P	95.3	Very high	95.3	Very high	67 Å²	67	45 Å²	45	44%	0.435	26%	0.26	S	S	.	.	S	Bend	trans	-82.9	-2.2	168.8	35.9	-35.8	0	0	0	113.2	Y285	P278-Y285 WeakPolarHBondContact O-CE2 3.42Å
279	H	94.6	Very high	95.3	Very high	119 Å²	119	49.5 Å²	49.5	55%	0.551	28%	0.281	S	S	*	.	S	Bend	trans	-98.6	123.8	-175.8	-58	-64.4	0	0	0	111.6	S277 C281 S282 Y285	S277-H279 VanDerWaalsContact C-N 3.29Å; S277-H279 PolarHBondContact OG-N 2.97Å; S277-H279 VanDerWaalsContact OG-N 3.1Å; H279-C281 VanDerWaalsContact C-N 3.26Å; H279-C281 PolarHBondContact O-N 2.87Å; H279-C281 VanDerWaalsContact O-N 3.16Å; H279-S282 VanDerWaalsContact O-CB 3.24Å; H279-S282 WeakPolarHBondContact O-CB 3.45Å; H279-S282 PolarHBondContact O-N 2.91Å; H279-Y285 VanDerWaalsContact C-CD2 3.47Å; H279-Y285 WeakPolarHBondContact O-CB 3.19Å
280	S	95.2	Very high	95.3	Very high	7 Å²	7	46.5 Å²	46.5	5%	0.049	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.5	-174.8	51	0	0	0	0	115.4	K247 E255 C257 S282 Y285	K247-S280 PolarHBondContact NZ-O 2.97Å; E255-S280 WeakPolarHBondContact OE2-CB 3.48Å; E255-S280 PolarHBondContact OE2-OG 3.29Å; C257-S280 WeakPolarHBondContact CB-O 3.3Å; S280-S282 PolarHBondContact O-N 3.18Å; S280-Y285 VanDerWaalsContact CA-CG 3.49Å
281	C	92.8	Very high	95.3	Very high	34 Å²	34	44.9 Å²	44.9	23%	0.23	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.5	178.3	-59	0	0	0	0	113.9	C257 H279	C257-C281 VanDerWaalsContact CB-CA 3.46Å; C257-C281 HydrophobicContact CB-CB 3.83Å; C257-C281 WeakPolarHBondContact CB-SG 3.29Å; C257-C281 WeakPolarHBondContact SG-CA 3.28Å; C257-C281 WeakPolarHBondContact SG-CB 3.49Å; C257-C281 CovalentContact SG-SG 2.05Å; C257-C281 PolarHBondContact SG-SG 3Å; H279-C281 VanDerWaalsContact C-N 3.26Å; H279-C281 PolarHBondContact O-N 2.87Å; H279-C281 VanDerWaalsContact O-N 3.16Å
282	S	93.7	Very high	95.4	Very high	8 Å²	8	45.2 Å²	45.2	6%	0.056	27%	0.273	C	S	.	.	S	Bend	trans	-71.5	142.4	172.1	-172.8	0	0	0	0	111.7	K247 S277 H279 S280 T284 Y285	K247-S282 WeakPolarHBondContact CD-O 3.44Å; S277-S282 VanDerWaalsContact CB-CB 3.45Å; S277-S282 WeakPolarHBondContact CB-OG 3.36Å; S277-S282 WeakPolarHBondContact OG-CB 3.35Å; H279-S282 VanDerWaalsContact O-CB 3.24Å; H279-S282 WeakPolarHBondContact O-CB 3.45Å; H279-S282 PolarHBondContact O-N 2.91Å; S280-S282 PolarHBondContact O-N 3.18Å; S282-T284 PolarHBondContact O-N 3.44Å; S282-T284 PolarHBondContact OG-N 3.42Å; S282-T284 PolarHBondContact OG-OG1 3.3Å; S282-T284 VanDerWaalsContact OG-OG1 3.12Å; S282-Y285 WeakPolarHBondContact O-CB 3.49Å; S282-Y285 PolarHBondContact O-N 3.14Å; S282-Y285 VanDerWaalsContact O-N 3.16Å
283	D	94.3	Very high	95.5	Very high	37 Å²	37	43.2 Å²	43.2	20%	0.198	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-20	169.4	-102.5	-9.8	0	0	0	113.8	R195 R246	R195-D283 IonicContact CZ-OD2 3.24Å; R195-D283 IonicContact NH1-OD2 3.98Å; R195-D283 PolarHBondContact NH1-OD2 3.17Å; R195-D283 IonicContact NH2-OD2 3.6Å; R246-D283 WeakPolarHBondContact CD-O 3.27Å; R246-D283 PolarHBondContact NH1-O 3.35Å
284	T	95.6	Very high	95.8	Very high	32 Å²	32	44.4 Å²	44.4	20%	0.196	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	22.1	178.9	62.8	0	0	0	0	112.4	S277 S282 R286	S277-T284 PolarHBondContact N-O 2.91Å; S282-T284 PolarHBondContact O-N 3.44Å; S282-T284 PolarHBondContact OG-N 3.42Å; S282-T284 PolarHBondContact OG-OG1 3.3Å; S282-T284 VanDerWaalsContact OG-OG1 3.12Å; T284-R286 PolarHBondContact O-N 3.41Å
285	Y	97.1	Very high	96.3	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.016	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-56.5	122.4	177	177.5	-132.1	0	0	0	111	E255 G259 I260 D261 S277 P278 H279 S280 S282 G287 S288	E255-Y285 PolarHBondContact OE1-OH 3.3Å; G259-Y285 WeakPolarHBondContact O-CD1 3.2Å; I260-Y285 HydrophobicContact CD1-CE1 4.41Å; I260-Y285 HydrophobicContact CG1-CD1 3.89Å; I260-Y285 HydrophobicContact CG1-CE1 3.86Å; D261-Y285 WeakPolarHBondContact CB-O 3.27Å; D261-Y285 PolarHBondContact N-O 2.71Å; S277-Y285 WeakPolarHBondContact O-CA 3.2Å; S277-Y285 WeakPolarHBondContact O-CD2 3.27Å; P278-Y285 WeakPolarHBondContact O-CE2 3.42Å; H279-Y285 VanDerWaalsContact C-CD2 3.47Å; H279-Y285 WeakPolarHBondContact O-CB 3.19Å; S280-Y285 VanDerWaalsContact CA-CG 3.49Å; S282-Y285 WeakPolarHBondContact O-CB 3.49Å; S282-Y285 PolarHBondContact O-N 3.14Å; S282-Y285 VanDerWaalsContact O-N 3.16Å; Y285-G287 VanDerWaalsContact C-N 3.35Å; Y285-G287 PolarHBondContact O-N 3.38Å; Y285-S288 PolarHBondContact OH-N 2.98Å
286	R	98	Very high	96.6	Very high	58 Å²	58	36.4 Å²	36.4	22%	0.219	21%	0.207	C	C	.	.			trans	-81.6	-9.1	-169.9	70.6	-173.1	-173.6	-174.6	7	115.6	R264 N265 W270 G271 A276 S277 T284	R264-R286 HydrophobicContact CB-CB 4.15Å; N265-R286 PolarHBondContact ND2-O 2.82Å; W270-R286 HydrophobicContact CH2-CG 4.25Å; W270-R286 HydrophobicContact CZ2-CB 4.19Å; W270-R286 HydrophobicContact CZ2-CG 3.55Å; W270-R286 PolarHBondContact NE1-O 3.1Å; W270-R286 VanDerWaalsContact NE1-O 3.1Å; G271-R286 PolarHBondContact O-NH1 3.25Å; G271-R286 VanDerWaalsContact O-NH1 3.09Å; A276-R286 HydrophobicContact CB-CB 3.74Å; S277-R286 WeakPolarHBondContact O-CG 3.39Å; S277-R286 PolarHBondContact O-N 2.92Å; T284-R286 PolarHBondContact O-N 3.41Å
287	G	98	Very high	96.8	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.031	23%	0.226	C	C	.	.			trans	90.7	172.9	-169.6	0	0	0	0	0	112.5	W270 Y285	W270-G287 WeakPolarHBondContact CZ2-O 3Å; Y285-G287 VanDerWaalsContact C-N 3.35Å; Y285-G287 PolarHBondContact O-N 3.38Å
288	S	96.3	Very high	96.9	Very high	76 Å²	76	40.6 Å²	40.6	53%	0.531	23%	0.226	S	C	.	.	S	Bend	trans	-70.3	-35.3	-179.9	50.3	0	0	0	0	112.4	Y285	Y285-S288 PolarHBondContact OH-N 2.98Å
289	E	97.6	Very high	97.1	Very high	126 Å²	126	37.5 Å²	37.5	59%	0.589	21%	0.206	S	C	*	.	S	Bend	trans	-150.1	166.9	176.4	61.8	-179.2	-167.8	0	0	111.2	N265 W270 A291 S292	N265-E289 PolarHBondContact ND2-O 3.46Å; N265-E289 VanDerWaalsContact ND2-O 3.15Å; W270-E289 VanDerWaalsContact CZ2-CA 3.49Å; E289-A291 PolarHBondContact O-N 3.46Å; E289-S292 WeakPolarHBondContact O-CB 3.42Å; E289-S292 PolarHBondContact O-N 2.95Å; E289-S292 PolarHBondContact O-OG 3.44Å
290	A	98.3	Very high	97.3	Very high	35 Å²	35	33.1 Å²	33.1	29%	0.289	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	133.5	173.4	0	0	0	0	0	111.1	P267 W270 S292	P267-A290 HydrophobicContact CB-CB 3.97Å; W270-A290 HydrophobicContact CB-CB 3.96Å; W270-A290 HydrophobicContact CD2-CB 3.87Å; W270-A290 HydrophobicContact CE3-CB 4.21Å; W270-A290 HydrophobicContact CG-CB 3.76Å; A290-S292 PolarHBondContact O-N 3.18Å
291	A	98.3	Very high	97.5	Very high	20 Å²	20	40.3 Å²	40.3	17%	0.165	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	30	-177.4	0	0	0	0	0	114.3	N265 E289 E293 T296 Q297 I300	N265-A291 PolarHBondContact O-N 2.79Å; N265-A291 WeakPolarHBondContact OD1-CA 3.46Å; E289-A291 PolarHBondContact O-N 3.46Å; A291-E293 PolarHBondContact O-N 2.91Å; A291-T296 HydrophobicContact CB-CG2 4.25Å; A291-Q297 VanDerWaalsContact O-CG 3.26Å; A291-Q297 WeakPolarHBondContact O-CG 3.43Å; A291-Q297 PolarHBondContact O-NE2 2.72Å; A291-I300 HydrophobicContact CB-CD1 3.85Å
292	S	98.1	Very high	97.7	Very high	26 Å²	26	40.1 Å²	40.1	18%	0.182	21%	0.212	C	C	.	.			trans	-60.7	-29.1	173.7	61.6	0	0	0	0	113.3	N265 E289 A290	N265-S292 PolarHBondContact ND2-OG 3.41Å; N265-S292 PolarHBondContact OD1-N 3.37Å; E289-S292 WeakPolarHBondContact O-CB 3.42Å; E289-S292 PolarHBondContact O-N 2.95Å; E289-S292 PolarHBondContact O-OG 3.44Å; A290-S292 PolarHBondContact O-N 3.18Å
293	E	98.7	Very high	98	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.047	21%	0.21	C	C	.	.	S	Bend	trans	-89.2	138.1	-171.5	-52.3	-52.6	110.9	0	0	113	N248 A250 I260 L262 N265 A291 E295 T296 Q297	N248-E293 PolarHBondContact ND2-OE2 2.79Å; A250-E293 WeakPolarHBondContact CB-OE2 3.29Å; I260-E293 HydrophobicContact CB-CG 3.77Å; I260-E293 VanDerWaalsContact CD1-CD 3.46Å; I260-E293 WeakPolarHBondContact CD1-OE1 3.28Å; I260-E293 WeakPolarHBondContact CD1-OE2 3.33Å; I260-E293 VanDerWaalsContact CG1-CD 3.44Å; I260-E293 HydrophobicContact CG1-CG 4.15Å; I260-E293 WeakPolarHBondContact CG1-OE1 3.44Å; I260-E293 HydrophobicContact CG2-CG 3.72Å; L262-E293 HydrophobicContact CD2-CB 3.55Å; L262-E293 HydrophobicContact CD2-CG 3.75Å; N265-E293 HydrophobicContact CB-CG 4.46Å; N265-E293 WeakPolarHBondContact OD1-CG 3.46Å; N265-E293 PolarHBondContact OD1-N 3.36Å; A291-E293 PolarHBondContact O-N 2.91Å; E293-E295 PolarHBondContact O-N 2.7Å; E293-T296 WeakPolarHBondContact O-CB 3.36Å; E293-T296 PolarHBondContact O-N 2.9Å; E293-T296 VanDerWaalsContact O-N 3.1Å; E293-Q297 WeakPolarHBondContact O-CG 3.26Å; E293-Q297 PolarHBondContact O-N 3.11Å
294	L	98.6	Very high	98.2	Very high	85 Å²	85	41.4 Å²	41.4	45%	0.445	22%	0.219	S	C	.	.	H	α-helix	trans	-58.2	-37.4	178.2	-65.5	178.4	0	0	0	112.2	Y165 Q297 S298	Y165-L294 WeakPolarHBondContact O-CB 2.95Å; L294-Q297 PolarHBondContact O-N 2.73Å; L294-S298 WeakPolarHBondContact O-CB 3.32Å; L294-S298 PolarHBondContact O-N 3.23Å; L294-S298 PolarHBondContact O-OG 2.99Å
295	E	98.8	Very high	98.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-47.6	176	-62	89.9	161.2	0	0	111.2	T166 A167 M172 N248 L262 E293 Q297 S298 I299	T166-E295 WeakPolarHBondContact CA-OE1 3.5Å; T166-E295 VanDerWaalsContact CB-OE1 3.22Å; T166-E295 WeakPolarHBondContact CB-OE1 3.26Å; T166-E295 HydrophobicContact CG2-CG 3.89Å; A167-E295 PolarHBondContact N-OE1 2.65Å; M172-E295 HydrophobicContact CE-CB 3.97Å; M172-E295 HydrophobicContact CE-CG 4.31Å; M172-E295 HydrophobicContact SD-CB 3.94Å; M172-E295 HydrophobicContact SD-CG 3.96Å; N248-E295 PolarHBondContact ND2-OE2 3.33Å; L262-E295 HydrophobicContact CD1-CB 3.78Å; L262-E295 HydrophobicContact CD1-CG 4.17Å; L262-E295 HydrophobicContact CD2-CB 3.92Å; E293-E295 PolarHBondContact O-N 2.7Å; E295-Q297 VanDerWaalsContact C-N 3.35Å; E295-Q297 PolarHBondContact O-N 3.3Å; E295-S298 PolarHBondContact O-N 2.67Å; E295-I299 VanDerWaalsContact O-CD1 3.31Å; E295-I299 WeakPolarHBondContact O-CD1 3.34Å; E295-I299 WeakPolarHBondContact O-CG1 3.25Å; E295-I299 PolarHBondContact O-N 3.33Å
296	T	98.8	Very high	98.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-47.1	176.7	-54.5	0	0	0	0	110.7	N265 F266 A291 E293 S298 I299 I300	N265-T296 HydrophobicContact CB-CG2 4.45Å; N265-T296 WeakPolarHBondContact OD1-CB 3.46Å; N265-T296 PolarHBondContact OD1-OG1 3.4Å; F266-T296 HydrophobicContact CD1-CG2 4.04Å; F266-T296 HydrophobicContact CD2-CG2 4.04Å; F266-T296 HydrophobicContact CE1-CG2 3.96Å; F266-T296 HydrophobicContact CE2-CG2 3.92Å; F266-T296 HydrophobicContact CG-CG2 4.07Å; F266-T296 HydrophobicContact CZ-CG2 3.88Å; A291-T296 HydrophobicContact CB-CG2 4.25Å; E293-T296 WeakPolarHBondContact O-CB 3.36Å; E293-T296 PolarHBondContact O-N 2.9Å; E293-T296 VanDerWaalsContact O-N 3.1Å; T296-S298 VanDerWaalsContact C-N 3.33Å; T296-S298 PolarHBondContact O-N 3.32Å; T296-I299 PolarHBondContact O-N 3.37Å; T296-I300 HydrophobicContact CG2-CD1 3.85Å; T296-I300 HydrophobicContact CG2-CG1 4.46Å; T296-I300 WeakPolarHBondContact O-CB 3.35Å; T296-I300 VanDerWaalsContact O-CG1 3.3Å; T296-I300 WeakPolarHBondContact O-CG1 3.5Å; T296-I300 PolarHBondContact O-N 3.2Å
297	Q	98.8	Very high	98.3	Very high	89 Å²	89	44.6 Å²	44.6	42%	0.416	24%	0.243	S	C	.	.	H	α-helix	trans	-59.6	-42.7	178	-68.2	170.2	9.6	0	0	112.1	A291 E293 L294 E295 I300 K301	A291-Q297 VanDerWaalsContact O-CG 3.26Å; A291-Q297 WeakPolarHBondContact O-CG 3.43Å; A291-Q297 PolarHBondContact O-NE2 2.72Å; E293-Q297 WeakPolarHBondContact O-CG 3.26Å; E293-Q297 PolarHBondContact O-N 3.11Å; L294-Q297 PolarHBondContact O-N 2.73Å; E295-Q297 VanDerWaalsContact C-N 3.35Å; E295-Q297 PolarHBondContact O-N 3.3Å; Q297-I300 PolarHBondContact O-N 2.83Å; Q297-K301 WeakPolarHBondContact O-CB 3.39Å; Q297-K301 PolarHBondContact O-N 3.37Å
298	S	98.8	Very high	98.3	Very high	16 Å²	16	54.6 Å²	54.6	11%	0.112	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-42.4	178.9	-60.3	0	0	0	0	111.9	G164 L294 E295 T296 K301 K302	G164-S298 WeakPolarHBondContact CA-OG 3.29Å; L294-S298 WeakPolarHBondContact O-CB 3.32Å; L294-S298 PolarHBondContact O-N 3.23Å; L294-S298 PolarHBondContact O-OG 2.99Å; E295-S298 PolarHBondContact O-N 2.67Å; T296-S298 VanDerWaalsContact C-N 3.33Å; T296-S298 PolarHBondContact O-N 3.32Å; S298-K301 PolarHBondContact O-N 3.24Å; S298-K302 PolarHBondContact O-N 3.47Å
299	I	98.8	Very high	98.4	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-48.7	175.7	-63.3	156.9	0	0	0	110.4	F163 M172 W187 V230 F266 E295 T296 K301 K302 L303	F163-I299 HydrophobicContact CE2-CG1 4.16Å; M172-I299 HydrophobicContact CE-CD1 4.12Å; M172-I299 HydrophobicContact CE-CG1 3.87Å; W187-I299 HydrophobicContact CZ2-CG2 4.36Å; V230-I299 HydrophobicContact CG1-CD1 3.4Å; V230-I299 VanDerWaalsContact CG1-CD1 3.4Å; V230-I299 HydrophobicContact CG1-CG1 4.38Å; F266-I299 HydrophobicContact CE1-CB 4.37Å; F266-I299 HydrophobicContact CE1-CG2 3.96Å; F266-I299 HydrophobicContact CZ-CB 4.21Å; F266-I299 HydrophobicContact CZ-CD1 3.98Å; F266-I299 HydrophobicContact CZ-CG2 3.93Å; E295-I299 VanDerWaalsContact O-CD1 3.31Å; E295-I299 WeakPolarHBondContact O-CD1 3.34Å; E295-I299 WeakPolarHBondContact O-CG1 3.25Å; E295-I299 PolarHBondContact O-N 3.33Å; T296-I299 PolarHBondContact O-N 3.37Å; I299-K301 VanDerWaalsContact C-N 3.34Å; I299-K301 PolarHBondContact O-N 3.08Å; I299-K302 PolarHBondContact O-N 3.32Å; I299-L303 HydrophobicContact CG2-CD1 3.63Å; I299-L303 HydrophobicContact CG2-CG 4.15Å; I299-L303 WeakPolarHBondContact O-CB 3.33Å; I299-L303 WeakPolarHBondContact O-CG 3.39Å; I299-L303 PolarHBondContact O-N 3.42Å
300	I	98.8	Very high	98.5	Very high	27 Å²	27	48.8 Å²	48.8	14%	0.138	25%	0.25	C	S	.	.	H	α-helix	trans	-55.6	-50	177.1	-74.7	171.5	0	0	0	110.3	F266 P267 A291 T296 Q297 K302 L303 N304 Y379	F266-I300 HydrophobicContact CD1-CD1 4.22Å; F266-I300 HydrophobicContact CD1-CG1 3.99Å; F266-I300 HydrophobicContact CE1-CD1 4.47Å; F266-I300 HydrophobicContact CE1-CG1 3.91Å; P267-I300 HydrophobicContact CG-CD1 4.19Å; A291-I300 HydrophobicContact CB-CD1 3.85Å; T296-I300 HydrophobicContact CG2-CD1 3.85Å; T296-I300 HydrophobicContact CG2-CG1 4.46Å; T296-I300 WeakPolarHBondContact O-CB 3.35Å; T296-I300 VanDerWaalsContact O-CG1 3.3Å; T296-I300 WeakPolarHBondContact O-CG1 3.5Å; T296-I300 PolarHBondContact O-N 3.2Å; Q297-I300 PolarHBondContact O-N 2.83Å; I300-K302 VanDerWaalsContact C-N 3.32Å; I300-K302 PolarHBondContact O-N 3.2Å; I300-L303 PolarHBondContact O-N 3.13Å; I300-N304 WeakPolarHBondContact CG2-ND2 3.38Å; I300-N304 WeakPolarHBondContact O-CB 3.3Å; I300-N304 PolarHBondContact O-N 2.96Å; I300-N304 PolarHBondContact O-ND2 2.64Å; I300-Y379 HydrophobicContact CG1-CE1 3.96Å
301	K	98.7	Very high	98.4	Very high	159 Å²	159	49 Å²	49	69%	0.691	25%	0.246	S	C	*	.	H	α-helix	trans	-57.4	-45.9	179	-178.4	-179.3	178.2	-179	0	111.4	Q297 S298 I299 S305	Q297-K301 WeakPolarHBondContact O-CB 3.39Å; Q297-K301 PolarHBondContact O-N 3.37Å; S298-K301 PolarHBondContact O-N 3.24Å; I299-K301 VanDerWaalsContact C-N 3.34Å; I299-K301 PolarHBondContact O-N 3.08Å; K301-S305 PolarHBondContact O-N 2.9Å; K301-S305 VanDerWaalsContact O-N 3.09Å
302	K	98.8	Very high	98.5	Very high	30 Å²	30	48 Å²	48	13%	0.13	24%	0.238	C	C	.	.	H	α-helix	trans	-69.6	-43.1	-179	-172.4	64.6	-172.1	-173	0	112.4	E161 F163 W187 F225 S298 I299 I300 N304 S305 L306	E161-K302 VanDerWaalsContact CD-NZ 3.27Å; E161-K302 WeakPolarHBondContact OE1-CE 3.44Å; E161-K302 IonicContact OE1-NZ 2.88Å; E161-K302 PolarHBondContact OE1-NZ 2.84Å; E161-K302 IonicContact OE2-NZ 3.22Å; E161-K302 PolarHBondContact OE2-NZ 3.23Å; E161-K302 VanDerWaalsContact OE2-NZ 3.14Å; F163-K302 HydrophobicContact CB-CB 4.47Å; F163-K302 HydrophobicContact CB-CD 4.25Å; F163-K302 HydrophobicContact CB-CG 4.41Å; F163-K302 HydrophobicContact CD2-CB 3.83Å; F163-K302 HydrophobicContact CD2-CG 4.31Å; F163-K302 HydrophobicContact CE2-CB 4.44Å; F163-K302 HydrophobicContact CG-CB 4.35Å; F163-K302 HydrophobicContact CG-CG 4.39Å; W187-K302 HydrophobicContact CH2-CB 4.12Å; W187-K302 HydrophobicContact CH2-CG 3.89Å; W187-K302 HydrophobicContact CZ3-CB 4.41Å; W187-K302 HydrophobicContact CZ3-CG 3.87Å; F225-K302 HydrophobicContact CE1-CD 4.49Å; F225-K302 HydrophobicContact CE1-CG 3.78Å; F225-K302 HydrophobicContact CE2-CD 4.45Å; F225-K302 HydrophobicContact CZ-CD 4Å; F225-K302 HydrophobicContact CZ-CG 3.77Å; S298-K302 PolarHBondContact O-N 3.47Å; I299-K302 PolarHBondContact O-N 3.32Å; I300-K302 VanDerWaalsContact C-N 3.32Å; I300-K302 PolarHBondContact O-N 3.2Å; K302-N304 PolarHBondContact O-N 2.85Å; K302-S305 PolarHBondContact O-N 3.33Å; K302-S305 PolarHBondContact O-OG 3.06Å; K302-L306 PolarHBondContact O-N 3.24Å
303	L	98.8	Very high	98.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.9	-48.1	175.2	-77.2	169.2	0	0	0	111	W187 I299 I300 S305 L306 Q307 I310 Y313 Y379 V380 L384	W187-L303 HydrophobicContact CD2-CD2 3.73Å; W187-L303 HydrophobicContact CE3-CD2 3.59Å; W187-L303 HydrophobicContact CE3-CG 4.44Å; W187-L303 HydrophobicContact CG-CD2 4.41Å; W187-L303 HydrophobicContact CH2-CD2 3.9Å; W187-L303 HydrophobicContact CH2-CG 3.89Å; W187-L303 HydrophobicContact CZ2-CD2 4.02Å; W187-L303 HydrophobicContact CZ2-CG 4.18Å; W187-L303 HydrophobicContact CZ3-CD2 3.67Å; W187-L303 HydrophobicContact CZ3-CG 4.02Å; I299-L303 HydrophobicContact CG2-CD1 3.63Å; I299-L303 HydrophobicContact CG2-CG 4.15Å; I299-L303 WeakPolarHBondContact O-CB 3.33Å; I299-L303 WeakPolarHBondContact O-CG 3.39Å; I299-L303 PolarHBondContact O-N 3.42Å; I300-L303 PolarHBondContact O-N 3.13Å; L303-S305 VanDerWaalsContact C-N 3.31Å; L303-S305 PolarHBondContact O-N 2.77Å; L303-L306 CarbonylContact O-C 3.52Å; L303-L306 PolarHBondContact O-N 3.39Å; L303-L306 VanDerWaalsContact O-N 3.1Å; L303-Q307 WeakPolarHBondContact O-CA 3.44Å; L303-Q307 WeakPolarHBondContact O-CB 3.31Å; L303-Q307 PolarHBondContact O-N 2.86Å; L303-I310 HydrophobicContact CD2-CD1 3.93Å; L303-Y313 HydrophobicContact CD2-CD2 4.27Å; L303-Y313 HydrophobicContact CD2-CE2 4.27Å; L303-Y379 HydrophobicContact CD1-CD1 4.3Å; L303-Y379 HydrophobicContact CD1-CE1 4.13Å; L303-V380 HydrophobicContact CD1-CG1 3.83Å; L303-V380 HydrophobicContact CD2-CG1 4.16Å; L303-L384 HydrophobicContact CB-CD1 3.61Å; L303-L384 HydrophobicContact CD1-CD1 4.25Å; L303-L384 HydrophobicContact CG-CD1 4.4Å
304	N	98.4	Very high	98.5	Very high	72 Å²	72	46.3 Å²	46.3	39%	0.385	23%	0.228	S	C	.	.	H	α-helix	trans	-59	-41.3	176.6	-80.9	-72.1	0	0	0	112.3	I300 K302 L306 Q307 Y379 L384	I300-N304 WeakPolarHBondContact CG2-ND2 3.38Å; I300-N304 WeakPolarHBondContact O-CB 3.3Å; I300-N304 PolarHBondContact O-N 2.96Å; I300-N304 PolarHBondContact O-ND2 2.64Å; K302-N304 PolarHBondContact O-N 2.85Å; N304-L306 PolarHBondContact O-N 3.18Å; N304-Q307 PolarHBondContact O-N 3.14Å; N304-Y379 PolarHBondContact ND2-OH 3.25Å; N304-L384 WeakPolarHBondContact OD1-CD2 3.35Å
305	S	98.3	Very high	98.5	Very high	80 Å²	80	42.3 Å²	42.3	56%	0.559	21%	0.206	S	C	*	.	H	α-helix	trans	-63.5	-25.1	178.3	78.8	0	0	0	0	113.9	K301 K302 L303	K301-S305 PolarHBondContact O-N 2.9Å; K301-S305 VanDerWaalsContact O-N 3.09Å; K302-S305 PolarHBondContact O-N 3.33Å; K302-S305 PolarHBondContact O-OG 3.06Å; L303-S305 VanDerWaalsContact C-N 3.31Å; L303-S305 PolarHBondContact O-N 2.77Å
306	L	98.3	Very high	98.5	Very high	16 Å²	16	42.3 Å²	42.3	8%	0.084	21%	0.206	C	C	.	.	H	α-helix	trans	-109.5	-5	-177.9	-63.6	-176.7	0	0	0	113.4	M176 I185 W187 F225 K302 L303 N304 K308 Q309 I310	M176-L306 HydrophobicContact CE-CD1 4.19Å; M176-L306 HydrophobicContact CE-CD2 4.41Å; I185-L306 HydrophobicContact CD1-CB 4.09Å; I185-L306 HydrophobicContact CD1-CD1 4.07Å; I185-L306 HydrophobicContact CD1-CD2 3.79Å; I185-L306 HydrophobicContact CD1-CG 4.2Å; W187-L306 HydrophobicContact CZ3-CD1 4.34Å; F225-L306 HydrophobicContact CB-CD1 4.14Å; F225-L306 HydrophobicContact CD1-CD1 4.38Å; F225-L306 HydrophobicContact CD2-CD1 4.08Å; F225-L306 HydrophobicContact CG-CD1 3.92Å; K302-L306 PolarHBondContact O-N 3.24Å; L303-L306 CarbonylContact O-C 3.52Å; L303-L306 PolarHBondContact O-N 3.39Å; L303-L306 VanDerWaalsContact O-N 3.1Å; N304-L306 PolarHBondContact O-N 3.18Å; L306-K308 VanDerWaalsContact C-N 3.28Å; L306-K308 PolarHBondContact O-N 2.9Å; L306-K308 VanDerWaalsContact O-N 3.09Å; L306-Q309 PolarHBondContact O-N 2.78Å; L306-I310 HydrophobicContact CB-CD1 3.76Å; L306-I310 HydrophobicContact CB-CG1 3.97Å; L306-I310 WeakPolarHBondContact O-CG1 3.2Å; L306-I310 PolarHBondContact O-N 2.85Å
307	Q	97.7	Very high	98.5	Very high	65 Å²	65	42.4 Å²	42.4	30%	0.304	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-46.3	-167	177.2	-174.5	3.6	0	0	113.2	L303 N304 Q309 I310 L384	L303-Q307 WeakPolarHBondContact O-CA 3.44Å; L303-Q307 WeakPolarHBondContact O-CB 3.31Å; L303-Q307 PolarHBondContact O-N 2.86Å; N304-Q307 PolarHBondContact O-N 3.14Å; Q307-Q309 PolarHBondContact O-N 3.49Å; Q307-Q309 VanDerWaalsContact O-N 3.13Å; Q307-I310 PolarHBondContact O-N 3.44Å; Q307-L384 HydrophobicContact CG-CB 4.14Å; Q307-L384 PolarHBondContact NE2-O 2.89Å
308	K	97.5	Very high	98.5	Very high	212 Å²	212	38.3 Å²	38.3	92%	0.922	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.3	-177.2	-64.7	-174.3	179.5	-179.9	0	114	L306	L306-K308 VanDerWaalsContact C-N 3.28Å; L306-K308 PolarHBondContact O-N 2.9Å; L306-K308 VanDerWaalsContact O-N 3.09Å
309	Q	98	Very high	98.3	Very high	73 Å²	73	37.7 Å²	37.7	34%	0.341	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-21.9	-178.9	-69	-179.9	74.9	0	0	112.8	S181 P184 I185 L306 Q307 I311	S181-Q309 PolarHBondContact O-OE1 3.4Å; P184-Q309 CarbonylContact C-O 3.54Å; P184-Q309 WeakPolarHBondContact CA-O 3.21Å; I185-Q309 HydrophobicContact CB-CB 4.48Å; I185-Q309 HydrophobicContact CD1-CB 3.66Å; I185-Q309 HydrophobicContact CG1-CB 3.92Å; I185-Q309 PolarHBondContact N-O 2.92Å; L306-Q309 PolarHBondContact O-N 2.78Å; Q307-Q309 PolarHBondContact O-N 3.49Å; Q307-Q309 VanDerWaalsContact O-N 3.13Å; Q309-I311 PolarHBondContact O-N 3.45Å
310	I	98.6	Very high	98.1	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.036	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	119.1	-178.1	-61.6	165.2	0	0	0	109.6	I185 W187 L303 L306 Q307 I386	I185-I310 HydrophobicContact CB-CG1 4.13Å; I185-I310 HydrophobicContact CG2-CG1 4.06Å; I185-I310 WeakPolarHBondContact O-CA 3.45Å; W187-I310 HydrophobicContact CB-CG2 4.21Å; W187-I310 HydrophobicContact CE3-CD1 3.94Å; L303-I310 HydrophobicContact CD2-CD1 3.93Å; L306-I310 HydrophobicContact CB-CD1 3.76Å; L306-I310 HydrophobicContact CB-CG1 3.97Å; L306-I310 WeakPolarHBondContact O-CG1 3.2Å; L306-I310 PolarHBondContact O-N 2.85Å; Q307-I310 PolarHBondContact O-N 3.44Å; I310-I386 HydrophobicContact CB-CD1 3.93Å; I310-I386 HydrophobicContact CB-CG1 4.17Å; I310-I386 HydrophobicContact CD1-CD1 4.06Å; I310-I386 HydrophobicContact CG2-CD1 3.66Å; I310-I386 HydrophobicContact CG2-CG1 4.04Å; I310-I386 HydrophobicContact CG2-CG2 3.84Å
311	I	98	Very high	98	Very high	40 Å²	40	36.8 Å²	36.8	21%	0.205	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-30.2	177.8	-168.1	59.8	0	0	0	112.4	P184 I185 F222 Q309 P387 Y388 I427	P184-I311 HydrophobicContact CB-CB 4.04Å; P184-I311 HydrophobicContact CB-CG2 3.71Å; I185-I311 PolarHBondContact O-N 2.83Å; F222-I311 HydrophobicContact CD1-CG2 4.15Å; F222-I311 HydrophobicContact CE1-CG2 3.96Å; Q309-I311 PolarHBondContact O-N 3.45Å; I311-P387 HydrophobicContact CD1-CB 4.3Å; I311-P387 HydrophobicContact CD1-CG 3.89Å; I311-Y388 HydrophobicContact CD1-CE2 4.34Å; I311-Y388 HydrophobicContact CG1-CD2 4.29Å; I311-Y388 HydrophobicContact CG1-CE2 4.36Å; I311-Y388 VanDerWaalsContact O-CD2 3.29Å; I311-Y388 WeakPolarHBondContact O-CD2 3.4Å; I311-Y388 PolarHBondContact O-N 3.17Å; I311-I427 HydrophobicContact CG1-CG2 3.63Å; I311-I427 HydrophobicContact CG2-CG2 4.22Å
312	L	98.6	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	132.6	180	176.1	64.6	0	0	0	109.9	I186 W187 L314 Y388 Y390 L423 I427	I186-L312 CarbonylContact C-O 3.55Å; I186-L312 WeakPolarHBondContact CA-O 3.25Å; I186-L312 HydrophobicContact CD1-CD2 4.26Å; I186-L312 HydrophobicContact CG1-CB 4.19Å; I186-L312 HydrophobicContact CG1-CD2 4.44Å; I186-L312 HydrophobicContact CG2-CB 4.23Å; I186-L312 HydrophobicContact CG2-CD2 3.94Å; I186-L312 HydrophobicContact CG2-CG 4.16Å; W187-L312 PolarHBondContact N-O 3.43Å; L312-L314 HydrophobicContact CD1-CD2 3.97Å; L312-L314 HydrophobicContact CD1-CG 4.4Å; L312-L314 HydrophobicContact CD2-CD1 4.3Å; L312-L314 HydrophobicContact CD2-CD2 4.45Å; L312-L314 HydrophobicContact CD2-CG 4.31Å; L312-L314 HydrophobicContact CG-CD2 4.25Å; L312-L314 HydrophobicContact CG-CG 4.15Å; L312-Y388 CarbonylContact C-O 3.58Å; L312-Y388 VanDerWaalsContact CA-O 3.3Å; L312-Y388 WeakPolarHBondContact CA-O 3.36Å; L312-Y390 HydrophobicContact CD1-CD2 4.05Å; L312-Y390 HydrophobicContact CD1-CE2 4.15Å; L312-L423 HydrophobicContact CD1-CD1 4.44Å; L312-L423 HydrophobicContact CD2-CB 3.85Å; L312-L423 HydrophobicContact CD2-CD1 4.19Å; L312-I427 HydrophobicContact CB-CD1 3.89Å; L312-I427 HydrophobicContact CD1-CD1 4.49Å; L312-I427 HydrophobicContact CD2-CD1 4.04Å; L312-I427 HydrophobicContact CG-CD1 4.36Å
313	Y	98.8	Very high	97.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.2	173.7	175.9	-86.2	0	0	0	110	W187 D189 L303 T376 V380 Y388 A389 Y390	W187-Y313 HydrophobicContact CB-CD2 3.94Å; W187-Y313 AromaticContact CD1-CD2 3.24Å; W187-Y313 AromaticContact CD1-CE2 3.2Å; W187-Y313 HydrophobicContact CD2-CD2 4.38Å; W187-Y313 HydrophobicContact CD2-CE2 4.42Å; W187-Y313 AromaticContact CG-CD2 3.61Å; W187-Y313 HydrophobicContact CG-CD2 3.61Å; W187-Y313 AromaticContact CG-CE2 3.93Å; W187-Y313 HydrophobicContact CG-CE2 3.93Å; W187-Y313 AromaticContact NE1-CD2 3.84Å; W187-Y313 AromaticContact NE1-CE2 3.32Å; W187-Y313 VanDerWaalsContact NE1-CE2 3.32Å; D189-Y313 PolarHBondContact OD1-OH 2.86Å; D189-Y313 VanDerWaalsContact OD2-CE2 3.28Å; D189-Y313 WeakPolarHBondContact OD2-CE2 3.36Å; D189-Y313 PolarHBondContact OD2-OH 3.05Å; L303-Y313 HydrophobicContact CD2-CD2 4.27Å; L303-Y313 HydrophobicContact CD2-CE2 4.27Å; Y313-T376 VanDerWaalsContact OH-CB 3.25Å; Y313-T376 WeakPolarHBondContact OH-CB 3.39Å; Y313-T376 PolarHBondContact OH-OG1 3.22Å; Y313-V380 HydrophobicContact CD1-CG2 3.65Å; Y313-V380 HydrophobicContact CD2-CB 4.5Å; Y313-V380 HydrophobicContact CD2-CG1 3.89Å; Y313-V380 HydrophobicContact CD2-CG2 4.29Å; Y313-V380 HydrophobicContact CE1-CG2 4.07Å; Y313-V380 HydrophobicContact CE2-CG1 3.94Å; Y313-V380 HydrophobicContact CG-CB 4.39Å; Y313-V380 HydrophobicContact CG-CG1 4.24Å; Y313-V380 HydrophobicContact CG-CG2 3.78Å; Y313-Y388 PolarHBondContact N-O 3.47Å; Y313-A389 HydrophobicContact CD1-CB 4.34Å; Y313-A389 WeakPolarHBondContact O-CA 3.45Å; Y313-Y390 PolarHBondContact O-N 3.01Å
314	L	98.9	Very high	97.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.4	175.8	-59.2	179.3	0	0	0	109.8	W187 I188 D189 L312 Y390 I392 L420 L423	W187-L314 PolarHBondContact O-N 3.15Å; I188-L314 VanDerWaalsContact CA-O 3.3Å; I188-L314 WeakPolarHBondContact CA-O 3.33Å; I188-L314 HydrophobicContact CD1-CD1 4.46Å; I188-L314 HydrophobicContact CG1-CB 4.32Å; I188-L314 HydrophobicContact CG1-CD1 4.33Å; I188-L314 HydrophobicContact CG2-CB 4.42Å; D189-L314 PolarHBondContact N-O 3.48Å; L312-L314 HydrophobicContact CD1-CD2 3.97Å; L312-L314 HydrophobicContact CD1-CG 4.4Å; L312-L314 HydrophobicContact CD2-CD1 4.3Å; L312-L314 HydrophobicContact CD2-CD2 4.45Å; L312-L314 HydrophobicContact CD2-CG 4.31Å; L312-L314 HydrophobicContact CG-CD2 4.25Å; L312-L314 HydrophobicContact CG-CG 4.15Å; L314-Y390 WeakPolarHBondContact CA-O 3.35Å; L314-Y390 HydrophobicContact CD2-CD2 3.98Å; L314-Y390 HydrophobicContact CD2-CG 4.42Å; L314-I392 HydrophobicContact CD2-CD1 4.18Å; L314-L420 HydrophobicContact CD1-CD1 4.19Å; L314-L423 HydrophobicContact CD1-CD1 4.36Å; L314-L423 HydrophobicContact CD2-CD1 3.8Å
315	S	98.9	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.1	167.3	-163.4	0	0	0	0	110.1	D189 H317 Y390 T391 I392	D189-S315 WeakPolarHBondContact OD1-CA 3.39Å; D189-S315 VanDerWaalsContact OD1-CB 3.32Å; D189-S315 WeakPolarHBondContact OD1-CB 3.43Å; D189-S315 PolarHBondContact OD1-OG 2.98Å; S315-H317 PolarHBondContact OG-NE2 2.99Å; S315-Y390 PolarHBondContact N-O 3.1Å; S315-T391 CarbonylContact O-C 3.59Å; S315-T391 WeakPolarHBondContact O-CA 3.45Å; S315-I392 PolarHBondContact O-N 3.27Å
316	L	98.9	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.6	-176.7	-55.2	-178.5	0	0	0	110.5	I188 D189 A190 A199 A203 I392 L394 L416	I188-L316 HydrophobicContact CG2-CD1 3.79Å; I188-L316 HydrophobicContact CG2-CG 3.98Å; D189-L316 WeakPolarHBondContact O-CB 3.37Å; D189-L316 WeakPolarHBondContact O-CG 3.24Å; D189-L316 PolarHBondContact O-N 3.1Å; A190-L316 HydrophobicContact CB-CB 4.04Å; A190-L316 HydrophobicContact CB-CD1 4.25Å; A199-L316 HydrophobicContact CB-CB 4Å; A199-L316 VanDerWaalsContact CB-O 3.28Å; A199-L316 WeakPolarHBondContact CB-O 3.11Å; A203-L316 HydrophobicContact CB-CD1 4.29Å; L316-I392 HydrophobicContact CD2-CB 4.21Å; L316-I392 HydrophobicContact CD2-CD1 4.39Å; L316-L394 HydrophobicContact CB-CD1 4.46Å; L316-L416 HydrophobicContact CD1-CD2 3.41Å; L316-L416 VanDerWaalsContact CD1-CD2 3.41Å; L316-L416 HydrophobicContact CD2-CD1 3.71Å; L316-L416 HydrophobicContact CD2-CD2 3.63Å; L316-L416 HydrophobicContact CD2-CG 4.36Å; L316-L416 HydrophobicContact CG-CD2 4.18Å
317	H	98.6	Very high	97.8	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.009	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	175	177.5	-77.2	-95.6	0	0	0	111.3	I192 H193 E196 S315 T391 I392 E393 L394	I192-H317 WeakPolarHBondContact CG2-CE1 3.23Å; I192-H317 WeakPolarHBondContact CG2-NE2 3.39Å; H193-H317 AromaticContact CE1-CE1 3.24Å; H193-H317 PolarHBondContact CE1-CE1 3.27Å; H193-H317 AromaticContact CE1-ND1 3.35Å; H193-H317 PolarHBondContact CE1-ND1 2.77Å; H193-H317 AromaticContact CG-CE1 3.96Å; H193-H317 AromaticContact CG-ND1 3.97Å; H193-H317 AromaticContact ND1-CE1 3.5Å; H193-H317 AromaticContact ND1-ND1 3.25Å; H193-H317 PolarHBondContact ND1-ND1 3.32Å; H193-H317 AromaticContact NE2-CE1 3.57Å; E196-H317 IonicContact OE1-ND1 2.71Å; E196-H317 WeakPolarHBondContact OE2-CA 3.34Å; E196-H317 WeakPolarHBondContact OE2-CB 3.36Å; E196-H317 IonicContact OE2-CG 3.58Å; E196-H317 IonicContact OE2-ND1 3.56Å; E196-H317 PolarHBondContact OE2-ND1 2.97Å; S315-H317 PolarHBondContact OG-NE2 2.99Å; H317-T391 HydrophobicContact CB-CG2 4.33Å; H317-I392 CarbonylContact C-O 3.58Å; H317-I392 PolarHBondContact N-O 3.34Å; H317-I392 VanDerWaalsContact O-O 3.08Å; H317-E393 WeakPolarHBondContact CB-OE2 3.42Å; H317-L394 VanDerWaalsContact O-CB 3.3Å; H317-L394 WeakPolarHBondContact O-CB 3.22Å; H317-L394 VanDerWaalsContact O-CG 3.23Å; H317-L394 WeakPolarHBondContact O-CG 3.49Å; H317-L394 PolarHBondContact O-N 3.35Å
318	S	97.9	Very high	97.7	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.021	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.6	164.4	65.9	0	0	0	0	110.3	E196 I198 E393 F402	E196-S318 VanDerWaalsContact CB-OG 3.28Å; E196-S318 WeakPolarHBondContact CB-OG 3.3Å; E196-S318 WeakPolarHBondContact CG-O 3.1Å; E196-S318 WeakPolarHBondContact CG-OG 3.35Å; E196-S318 PolarHBondContact OE2-N 3.47Å; I198-S318 WeakPolarHBondContact CG2-OG 3.3Å; S318-E393 VanDerWaalsContact CA-OE2 3.27Å; S318-E393 WeakPolarHBondContact CA-OE2 3.42Å; S318-E393 PolarHBondContact N-OE2 3.41Å; S318-F402 WeakPolarHBondContact O-CE1 3.3Å
319	F	96.2	Very high	97.7	Very high	3 Å²	3	9.4 Å²	9.4	1%	0.013	5%	0.046	C	C	.	.	S	Bend	cis	-137.1	165.1	16.2	62.6	-84.6	0	0	0	111.4	W69 R73 E393 L394 G401 F402	W69-F319 HydrophobicContact CB-CE1 4.29Å; W69-F319 HydrophobicContact CB-CZ 4.35Å; W69-F319 HydrophobicContact CE3-CE1 4.5Å; R73-F319 PolarHBondContact NH2-O 2.94Å; F319-E393 PolarHBondContact N-OE2 2.79Å; F319-L394 WeakPolarHBondContact CA-O 3.43Å; F319-G401 VanDerWaalsContact CD1-C 3.47Å; F319-G401 VanDerWaalsContact CE1-CA 3.43Å; F319-F402 AromaticContact CD1-CD1 3.98Å; F319-F402 HydrophobicContact CD1-CD1 3.98Å; F319-F402 AromaticContact CD1-CE1 3.9Å; F319-F402 HydrophobicContact CD1-CE1 3.9Å; F319-F402 HydrophobicContact CD1-CG 4.44Å; F319-F402 HydrophobicContact CD1-CZ 4.28Å; F319-F402 HydrophobicContact CE1-CD1 4.28Å; F319-F402 HydrophobicContact CE1-CD2 4.38Å; F319-F402 HydrophobicContact CE1-CE1 4.06Å; F319-F402 HydrophobicContact CE1-CE2 4.15Å; F319-F402 HydrophobicContact CE1-CG 4.44Å; F319-F402 AromaticContact CE1-CZ 3.96Å; F319-F402 HydrophobicContact CE1-CZ 3.96Å
320	G	94	Very high	97.6	Very high	5 Å²	5	7.8 Å²	7.8	5%	0.052	4%	0.043	C	C	.	.	S	Bend	trans	151.3	-4.9	165.9	0	0	0	0	0	115.8	Y322 L394 D396	G320-Y322 WeakPolarHBondContact O-CD2 3.44Å; G320-Y322 WeakPolarHBondContact O-CE2 3.16Å; G320-L394 PolarHBondContact N-O 3.07Å; G320-D396 VanDerWaalsContact CA-O 3.23Å; G320-D396 WeakPolarHBondContact CA-O 3.3Å; G320-D396 PolarHBondContact N-O 2.89Å
321	Q	96	Very high	97.3	Very high	5 Å²	5	13.1 Å²	13.1	2%	0.023	6%	0.062	C	C	.	.	S	Bend	trans	61.8	54.4	-175.6	-60.9	166.6	-168.7	0	0	112.3	Y358 V359 Y360 Q361 E393 L394 E397	Q321-Y358 VanDerWaalsContact OE1-CD1 3.31Å; Q321-V359 WeakPolarHBondContact CB-O 3.26Å; Q321-V359 PolarHBondContact NE2-O 3.13Å; Q321-Y360 VanDerWaalsContact CA-CD1 3.49Å; Q321-Y360 VanDerWaalsContact CA-CE1 3.42Å; Q321-Y360 HydrophobicContact CB-CD1 3.9Å; Q321-Y360 HydrophobicContact CB-CD2 3.86Å; Q321-Y360 HydrophobicContact CB-CE1 3.93Å; Q321-Y360 HydrophobicContact CB-CE2 3.87Å; Q321-Y360 HydrophobicContact CB-CG 3.87Å; Q321-Y360 HydrophobicContact CG-CD2 4.23Å; Q321-Y360 HydrophobicContact CG-CE1 4.32Å; Q321-Y360 HydrophobicContact CG-CE2 3.78Å; Q321-Y360 CarbonylContact O-C 3.56Å; Q321-Y360 WeakPolarHBondContact O-CA 3.33Å; Q321-Y360 WeakPolarHBondContact O-CD1 3.2Å; Q321-Q361 PolarHBondContact O-N 3.36Å; Q321-E393 CarbonylContact C-O 3.51Å; Q321-E393 WeakPolarHBondContact CA-O 3.35Å; Q321-E393 PolarHBondContact N-O 3.5Å; Q321-L394 PolarHBondContact N-O 3.03Å; Q321-E397 HydrophobicContact CG-CG 4.34Å; Q321-E397 PolarHBondContact NE2-OE2 3.26Å
322	Y	96.9	Very high	97.1	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.016	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.4	175.6	-64.5	-94.1	0	0	0	111.9	R73 G320 L324 Q361 L368 L369 I392 E393	R73-Y322 WeakPolarHBondContact CD-OH 3.47Å; R73-Y322 VanDerWaalsContact NH1-CE2 3.3Å; G320-Y322 WeakPolarHBondContact O-CD2 3.44Å; G320-Y322 WeakPolarHBondContact O-CE2 3.16Å; Y322-L324 HydrophobicContact CD1-CD2 4.09Å; Y322-L324 HydrophobicContact CG-CD2 4.08Å; Y322-Q361 CarbonylContact C-O 3.54Å; Y322-Q361 WeakPolarHBondContact CA-O 3.35Å; Y322-Q361 HydrophobicContact CD1-CB 3.68Å; Y322-Q361 HydrophobicContact CE1-CB 3.67Å; Y322-Q361 HydrophobicContact CE1-CG 4.22Å; Y322-Q361 PolarHBondContact OH-NE2 3.35Å; Y322-L368 HydrophobicContact CD1-CB 4.18Å; Y322-L368 HydrophobicContact CD1-CD1 3.85Å; Y322-L368 HydrophobicContact CE1-CB 4.22Å; Y322-L368 HydrophobicContact CE1-CD1 4.3Å; Y322-L369 HydrophobicContact CD1-CD2 4.21Å; Y322-L369 HydrophobicContact CD2-CD2 4.14Å; Y322-L369 HydrophobicContact CE1-CD2 4.13Å; Y322-L369 HydrophobicContact CE2-CD2 4.1Å; Y322-L369 HydrophobicContact CG-CD2 4.24Å; Y322-I392 CarbonylContact O-C 3.55Å; Y322-I392 WeakPolarHBondContact O-CA 3.43Å; Y322-E393 HydrophobicContact CD2-CB 4.15Å; Y322-E393 HydrophobicContact CD2-CG 4.37Å; Y322-E393 PolarHBondContact N-O 2.87Å; Y322-E393 VanDerWaalsContact N-O 3.08Å; Y322-E393 PolarHBondContact O-N 3.28Å
323	I	98.2	Very high	97	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.015	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	94	169	-53.9	172.6	0	0	0	105.5	V348 K349 Y360 Q361 V362 G363 Y390	I323-V348 HydrophobicContact CD1-CB 3.78Å; I323-V348 HydrophobicContact CD1-CG1 3.38Å; I323-K349 HydrophobicContact CD1-CB 4.36Å; I323-Y360 HydrophobicContact CD1-CD1 4.29Å; I323-Y360 HydrophobicContact CG1-CD1 3.82Å; I323-Y360 HydrophobicContact CG1-CG 4.45Å; I323-Q361 PolarHBondContact N-O 2.91Å; I323-V362 HydrophobicContact CB-CG2 4.06Å; I323-V362 HydrophobicContact CD1-CG2 4.09Å; I323-V362 HydrophobicContact CG1-CG2 4.47Å; I323-V362 WeakPolarHBondContact O-CA 3.46Å; I323-G363 PolarHBondContact O-N 3.31Å; I323-Y390 HydrophobicContact CG2-CD1 3.62Å; I323-Y390 HydrophobicContact CG2-CE1 4.07Å; I323-Y390 HydrophobicContact CG2-CG 4.31Å
324	L	97.9	Very high	96.9	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	139	-170.6	-52.9	175.4	0	0	0	110.4	Y322 G363 L368 L369 Y390 T391 E393	Y322-L324 HydrophobicContact CD1-CD2 4.09Å; Y322-L324 HydrophobicContact CG-CD2 4.08Å; L324-G363 CarbonylContact C-O 3.52Å; L324-G363 WeakPolarHBondContact CA-O 3.31Å; L324-L368 HydrophobicContact CD2-CB 4.27Å; L324-L368 HydrophobicContact CD2-CD1 4.19Å; L324-L369 HydrophobicContact CD1-CD1 3.47Å; L324-L369 VanDerWaalsContact CD1-CD1 3.47Å; L324-L369 HydrophobicContact CD1-CG 4.24Å; L324-L369 HydrophobicContact CD2-CD1 4.27Å; L324-L369 HydrophobicContact CD2-CG 4.18Å; L324-L369 HydrophobicContact CG-CD1 4.49Å; L324-Y390 WeakPolarHBondContact O-CA 3.46Å; L324-T391 WeakPolarHBondContact CB-O 3.34Å; L324-T391 HydrophobicContact CD1-CG2 4.06Å; L324-T391 PolarHBondContact N-O 3.45Å; L324-T391 PolarHBondContact O-N 2.95Å; L324-E393 HydrophobicContact CD1-CG 4.12Å
325	T	98.3	Very high	96.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	150.6	172.9	63	0	0	0	0	110.2	Y338 L341 M342 G363 S364 S365 Y390	T325-Y338 VanDerWaalsContact OG1-CE2 3.28Å; T325-Y338 WeakPolarHBondContact OG1-CE2 3.33Å; T325-L341 HydrophobicContact CG2-CB 3.71Å; T325-L341 HydrophobicContact CG2-CD1 4.33Å; T325-M342 HydrophobicContact CG2-SD 4.33Å; T325-G363 PolarHBondContact N-O 2.9Å; T325-G363 PolarHBondContact OG1-O 3.36Å; T325-S364 WeakPolarHBondContact O-CA 3.27Å; T325-S364 WeakPolarHBondContact OG1-CA 3.23Å; T325-S364 PolarHBondContact OG1-N 3.48Å; T325-S365 PolarHBondContact O-N 2.9Å; T325-S365 VanDerWaalsContact O-N 3.13Å; T325-Y390 HydrophobicContact CG2-CD1 3.95Å; T325-Y390 HydrophobicContact CG2-CE1 3.71Å
326	P	97.9	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-65.8	161.9	165.8	26.5	-30.5	0	0	0	110.8	P335 L341 D378 A381 A389	P326-P335 HydrophobicContact CG-CG 4.26Å; P326-P335 WeakPolarHBondContact O-CD 3.44Å; P326-L341 HydrophobicContact CG-CD1 4.5Å; P326-D378 WeakPolarHBondContact CB-OD1 3.49Å; P326-A381 HydrophobicContact CB-CB 4Å; P326-A381 HydrophobicContact CG-CB 3.54Å; P326-A389 VanDerWaalsContact CD-O 3.25Å; P326-A389 WeakPolarHBondContact CD-O 3.32Å; P326-A389 HydrophobicContact CG-CB 4.24Å
327	F	97.7	Very high	96	Very high	22 Å²	22	38.7 Å²	38.7	10%	0.096	18%	0.182	C	C	.	.			cis	-89.9	141.3	-3.7	-66.5	-64.6	0	0	0	112.4	F268 F329 S333 P335 S364 S366 D378 A381	F268-F327 HydrophobicContact CD1-CE1 4.39Å; F268-F327 AromaticContact CE1-CD1 3.77Å; F268-F327 HydrophobicContact CE1-CD1 3.77Å; F268-F327 AromaticContact CE1-CE1 3.47Å; F268-F327 HydrophobicContact CE1-CE1 3.47Å; F268-F327 VanDerWaalsContact CE1-CE1 3.47Å; F268-F327 HydrophobicContact CE1-CZ 4.13Å; F268-F327 HydrophobicContact CZ-CD1 4.47Å; F268-F327 AromaticContact CZ-CE1 3.83Å; F268-F327 HydrophobicContact CZ-CE1 3.83Å; F268-F327 HydrophobicContact CZ-CZ 4.03Å; F327-F329 HydrophobicContact CB-CD1 3.63Å; F327-F329 HydrophobicContact CB-CE1 3.49Å; F327-F329 VanDerWaalsContact CB-CE1 3.49Å; F327-F329 HydrophobicContact CD1-CD1 4.16Å; F327-F329 AromaticContact CD1-CE1 3.99Å; F327-F329 HydrophobicContact CD1-CE1 3.99Å; F327-F329 AromaticContact CD2-CE1 3.97Å; F327-F329 HydrophobicContact CD2-CE1 3.97Å; F327-F329 AromaticContact CG-CD1 3.99Å; F327-F329 HydrophobicContact CG-CD1 3.99Å; F327-F329 AromaticContact CG-CE1 3.56Å; F327-F329 HydrophobicContact CG-CE1 3.56Å; F327-S333 PolarHBondContact N-O 2.87Å; F327-P335 HydrophobicContact CE2-CB 4.18Å; F327-P335 HydrophobicContact CZ-CB 4.35Å; F327-S364 PolarHBondContact O-OG 3.47Å; F327-S364 VanDerWaalsContact O-OG 3.08Å; F327-S366 PolarHBondContact O-OG 3.21Å; F327-D378 WeakPolarHBondContact CA-OD1 3.3Å; F327-D378 HydrophobicContact CD1-CB 4.1Å; F327-A381 HydrophobicContact CE1-CB 4.26Å
328	G	96.6	Very high	95.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.187	C	C	.	.			trans	-96.5	-19.3	175.7	0	0	0	0	0	114.7	S330 S365 S366 E371 A372 D378	G328-S330 PolarHBondContact O-N 3.05Å; G328-S365 WeakPolarHBondContact CA-OG 3.48Å; G328-S365 PolarHBondContact N-OG 3.47Å; G328-S366 WeakPolarHBondContact O-CB 3.46Å; G328-E371 CarbonylContact O-C 3.45Å; G328-E371 VanDerWaalsContact O-CA 3.25Å; G328-E371 WeakPolarHBondContact O-CA 3.41Å; G328-A372 PolarHBondContact O-N 2.85Å; G328-D378 PolarHBondContact N-OD1 2.92Å; G328-D378 PolarHBondContact N-OD2 3.22Å
329	F	96.7	Very high	95.9	Very high	27 Å²	27	46.6 Å²	46.6	12%	0.118	22%	0.218	C	C	.	.	S	Bend	trans	-64.7	-23.4	-177.4	75.9	-97	0	0	0	113.6	F268 K269 V272 F327 D378	F268-F329 HydrophobicContact CE1-CD1 4.09Å; F268-F329 HydrophobicContact CE1-CE1 4.02Å; K269-F329 HydrophobicContact CB-CB 3.85Å; K269-F329 HydrophobicContact CB-CD1 3.94Å; K269-F329 HydrophobicContact CB-CD2 4.04Å; K269-F329 HydrophobicContact CB-CG 3.67Å; K269-F329 HydrophobicContact CD-CD2 4.32Å; K269-F329 HydrophobicContact CD-CE2 4.18Å; K269-F329 HydrophobicContact CD-CZ 4.32Å; K269-F329 HydrophobicContact CG-CD1 3.7Å; K269-F329 HydrophobicContact CG-CD2 4Å; K269-F329 HydrophobicContact CG-CE1 3.85Å; K269-F329 HydrophobicContact CG-CE2 4.14Å; K269-F329 HydrophobicContact CG-CG 3.81Å; K269-F329 HydrophobicContact CG-CZ 4.08Å; V272-F329 HydrophobicContact CG2-CB 3.96Å; V272-F329 HydrophobicContact CG2-CD2 3.78Å; V272-F329 HydrophobicContact CG2-CG 4.25Å; F327-F329 HydrophobicContact CB-CD1 3.63Å; F327-F329 HydrophobicContact CB-CE1 3.49Å; F327-F329 VanDerWaalsContact CB-CE1 3.49Å; F327-F329 HydrophobicContact CD1-CD1 4.16Å; F327-F329 AromaticContact CD1-CE1 3.99Å; F327-F329 HydrophobicContact CD1-CE1 3.99Å; F327-F329 AromaticContact CD2-CE1 3.97Å; F327-F329 HydrophobicContact CD2-CE1 3.97Å; F327-F329 AromaticContact CG-CD1 3.99Å; F327-F329 HydrophobicContact CG-CD1 3.99Å; F327-F329 AromaticContact CG-CE1 3.56Å; F327-F329 HydrophobicContact CG-CE1 3.56Å; F329-D378 WeakPolarHBondContact CB-OD2 3.36Å; F329-D378 WeakPolarHBondContact CD1-OD2 3.28Å; F329-D378 PolarHBondContact N-OD2 3.04Å
330	S	95.5	Very high	95.9	Very high	39 Å²	39	50.1 Å²	50.1	27%	0.273	23%	0.233	S	C	.	.	S	Bend	trans	-154.5	148.2	179.7	-174.3	0	0	0	0	111.4	G328 S366	G328-S330 PolarHBondContact O-N 3.05Å; S330-S366 PolarHBondContact O-OG 3.12Å
331	R	93.3	Very high	96.1	Very high	118 Å²	118	50 Å²	50	45%	0.445	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	149.9	172.1	-70.5	-174.7	169.4	177.3	1.2	112.3	S333 S366 E371	R331-S333 PolarHBondContact O-N 2.81Å; R331-S366 WeakPolarHBondContact CA-OG 3.5Å; R331-S366 PolarHBondContact NE-O 3.05Å; R331-S366 VanDerWaalsContact NE-O 3.08Å; R331-E371 HydrophobicContact CG-CG 4.49Å; R331-E371 PolarHBondContact N-OE1 2.94Å
332	Y	94.2	Very high	96.2	Very high	171 Å²	171	50.9 Å²	50.9	67%	0.671	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	18.7	177.9	-43.6	-66.2	0	0	0	114.7
333	S	95.5	Very high	96.3	Very high	33 Å²	33	53.2 Å²	53.2	23%	0.231	25%	0.253	C	S	.	.			trans	-104.8	122.5	174.3	-68.4	0	0	0	0	109.3	F327 R331	F327-S333 PolarHBondContact N-O 2.87Å; R331-S333 PolarHBondContact O-N 2.81Å
334	Y	96.4	Very high	96.3	Very high	90 Å²	90	53.1 Å²	53.1	35%	0.353	25%	0.252	S	S	.	.			trans	-128.9	144.5	-171.4	-53.3	-66.9	0	0	0	112.3	Y338 E367	Y334-Y338 AromaticContact CD1-CD1 3.74Å; Y334-Y338 HydrophobicContact CD1-CD1 3.74Å; Y334-Y338 AromaticContact CD1-CD2 3.7Å; Y334-Y338 HydrophobicContact CD1-CD2 3.7Å; Y334-Y338 AromaticContact CD1-CE1 3.66Å; Y334-Y338 HydrophobicContact CD1-CE1 3.66Å; Y334-Y338 AromaticContact CD1-CE2 3.64Å; Y334-Y338 HydrophobicContact CD1-CE2 3.64Å; Y334-Y338 AromaticContact CD1-CG 3.75Å; Y334-Y338 HydrophobicContact CD1-CG 3.75Å; Y334-Y338 AromaticContact CD1-CZ 3.61Å; Y334-Y338 HydrophobicContact CE1-CD1 4.25Å; Y334-Y338 HydrophobicContact CE1-CD2 4.46Å; Y334-Y338 AromaticContact CE1-CE1 3.7Å; Y334-Y338 HydrophobicContact CE1-CE1 3.7Å; Y334-Y338 AromaticContact CE1-CE2 3.96Å; Y334-Y338 HydrophobicContact CE1-CE2 3.96Å; Y334-Y338 AromaticContact CE1-CZ 3.54Å; Y334-Y338 AromaticContact CG-CD1 3.96Å; Y334-Y338 HydrophobicContact CG-CD1 3.96Å; Y334-Y338 HydrophobicContact CG-CD2 4.39Å; Y334-Y338 HydrophobicContact CG-CE1 4.24Å; Y334-Y338 HydrophobicContact CG-CG 4.03Å; Y334-E367 WeakPolarHBondContact CE1-OE1 3.22Å; Y334-E367 PolarHBondContact OH-OE1 3.36Å
335	P	95.4	Very high	96.3	Very high	11 Å²	11	52.9 Å²	52.9	7%	0.071	25%	0.251	C	S	.	.			trans	-69.3	156.2	168.1	31.5	-37.6	0	0	0	110.3	P326 F327 Y337 Y338 L341	P326-P335 HydrophobicContact CG-CG 4.26Å; P326-P335 WeakPolarHBondContact O-CD 3.44Å; F327-P335 HydrophobicContact CE2-CB 4.18Å; F327-P335 HydrophobicContact CZ-CB 4.35Å; P335-Y337 PolarHBondContact O-N 3.46Å; P335-Y338 VanDerWaalsContact O-CB 3.28Å; P335-Y338 WeakPolarHBondContact O-CB 3.43Å; P335-Y338 PolarHBondContact O-N 3.25Å; P335-L341 HydrophobicContact CG-CD1 3.81Å
336	P	92.6	Very high	96.3	Very high	129 Å²	129	58.1 Å²	58.1	84%	0.838	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-30.6	179.5	-28.5	35.5	0	0	0	114.7
337	Y	91	Very high	96.3	Very high	144 Å²	144	62.3 Å²	62.3	57%	0.565	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	15.1	-178.4	-57.3	-75.5	0	0	0	114.3	P335 Q339 K340 L341	P335-Y337 PolarHBondContact O-N 3.46Å; Y337-Q339 VanDerWaalsContact C-N 3.31Å; Y337-Q339 PolarHBondContact O-N 3.38Å; Y337-K340 PolarHBondContact O-N 3.47Å; Y337-L341 PolarHBondContact O-N 3.49Å; Y337-L341 VanDerWaalsContact O-N 3.08Å
338	Y	96.4	Very high	96.4	Very high	27 Å²	27	61.3 Å²	61.3	11%	0.106	29%	0.288	C	S	.	.	H	α-helix	trans	-51.8	-42.5	-174.5	176.4	-112.2	0	0	0	114.4	T325 Y334 P335 K340 L341 M342	T325-Y338 VanDerWaalsContact OG1-CE2 3.28Å; T325-Y338 WeakPolarHBondContact OG1-CE2 3.33Å; Y334-Y338 AromaticContact CD1-CD1 3.74Å; Y334-Y338 HydrophobicContact CD1-CD1 3.74Å; Y334-Y338 AromaticContact CD1-CD2 3.7Å; Y334-Y338 HydrophobicContact CD1-CD2 3.7Å; Y334-Y338 AromaticContact CD1-CE1 3.66Å; Y334-Y338 HydrophobicContact CD1-CE1 3.66Å; Y334-Y338 AromaticContact CD1-CE2 3.64Å; Y334-Y338 HydrophobicContact CD1-CE2 3.64Å; Y334-Y338 AromaticContact CD1-CG 3.75Å; Y334-Y338 HydrophobicContact CD1-CG 3.75Å; Y334-Y338 AromaticContact CD1-CZ 3.61Å; Y334-Y338 HydrophobicContact CE1-CD1 4.25Å; Y334-Y338 HydrophobicContact CE1-CD2 4.46Å; Y334-Y338 AromaticContact CE1-CE1 3.7Å; Y334-Y338 HydrophobicContact CE1-CE1 3.7Å; Y334-Y338 AromaticContact CE1-CE2 3.96Å; Y334-Y338 HydrophobicContact CE1-CE2 3.96Å; Y334-Y338 AromaticContact CE1-CZ 3.54Å; Y334-Y338 AromaticContact CG-CD1 3.96Å; Y334-Y338 HydrophobicContact CG-CD1 3.96Å; Y334-Y338 HydrophobicContact CG-CD2 4.39Å; Y334-Y338 HydrophobicContact CG-CE1 4.24Å; Y334-Y338 HydrophobicContact CG-CG 4.03Å; P335-Y338 VanDerWaalsContact O-CB 3.28Å; P335-Y338 WeakPolarHBondContact O-CB 3.43Å; P335-Y338 PolarHBondContact O-N 3.25Å; Y338-K340 VanDerWaalsContact C-N 3.32Å; Y338-K340 PolarHBondContact O-N 2.98Å; Y338-L341 WeakPolarHBondContact O-CB 3.46Å; Y338-L341 PolarHBondContact O-N 2.97Å; Y338-L341 VanDerWaalsContact O-N 3.15Å; Y338-M342 HydrophobicContact CD1-CG 4.29Å; Y338-M342 HydrophobicContact CD2-CG 4.11Å; Y338-M342 HydrophobicContact CE1-CG 3.88Å; Y338-M342 HydrophobicContact CE2-CG 3.65Å; Y338-M342 HydrophobicContact CE2-SD 3.85Å; Y338-M342 HydrophobicContact CG-CG 4.41Å; Y338-M342 WeakPolarHBondContact O-CG 3.45Å; Y338-M342 PolarHBondContact O-N 3.39Å
339	Q	97	Very high	96.5	Very high	144 Å²	144	64.7 Å²	64.7	67%	0.673	30%	0.302	S	S	*	.	H	α-helix	trans	-63.7	-36.7	179.8	-65.6	-60.1	-21.4	0	0	112.8	Y337 S343	Y337-Q339 VanDerWaalsContact C-N 3.31Å; Y337-Q339 PolarHBondContact O-N 3.38Å; Q339-S343 WeakPolarHBondContact O-CB 3.42Å; Q339-S343 PolarHBondContact O-N 3.23Å
340	K	97.1	Very high	96.6	Very high	77 Å²	77	67.5 Å²	67.5	34%	0.335	32%	0.316	S	S	.	.	H	α-helix	trans	-69.2	-39.9	174.6	178.1	60.8	172.6	173.9	0	110.7	Y337 Y338 S343 M344 Y388 D426	Y337-K340 PolarHBondContact O-N 3.47Å; Y338-K340 VanDerWaalsContact C-N 3.32Å; Y338-K340 PolarHBondContact O-N 2.98Å; K340-S343 PolarHBondContact O-N 2.82Å; K340-M344 HydrophobicContact CD-CG 4.18Å; K340-M344 HydrophobicContact CD-SD 4.06Å; K340-M344 VanDerWaalsContact CE-SD 3.56Å; K340-M344 HydrophobicContact CG-SD 4.01Å; K340-M344 WeakPolarHBondContact O-CG 3.36Å; K340-M344 PolarHBondContact O-N 3.29Å; K340-Y388 HydrophobicContact CG-CE1 3.65Å; K340-D426 IonicContact NZ-OD2 3.88Å
341	L	97.9	Very high	96.7	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-58.4	-49.7	173.7	-64.3	173.4	0	0	0	111.3	T325 P326 P335 Y337 Y338 S343 M344 G345 Y388 Y390	T325-L341 HydrophobicContact CG2-CB 3.71Å; T325-L341 HydrophobicContact CG2-CD1 4.33Å; P326-L341 HydrophobicContact CG-CD1 4.5Å; P335-L341 HydrophobicContact CG-CD1 3.81Å; Y337-L341 PolarHBondContact O-N 3.49Å; Y337-L341 VanDerWaalsContact O-N 3.08Å; Y338-L341 WeakPolarHBondContact O-CB 3.46Å; Y338-L341 PolarHBondContact O-N 2.97Å; Y338-L341 VanDerWaalsContact O-N 3.15Å; L341-S343 VanDerWaalsContact C-N 3.32Å; L341-S343 PolarHBondContact O-N 3.27Å; L341-M344 PolarHBondContact O-N 3.21Å; L341-G345 PolarHBondContact O-N 2.82Å; L341-Y388 HydrophobicContact CD2-CD1 3.88Å; L341-Y390 WeakPolarHBondContact CA-OH 3.37Å; L341-Y390 HydrophobicContact CB-CE1 4.19Å; L341-Y390 HydrophobicContact CD2-CE1 4.25Å; L341-Y390 HydrophobicContact CD2-CE2 3.87Å; L341-Y390 PolarHBondContact O-OH 3.12Å
342	M	98.1	Very high	96.9	Very high	22 Å²	22	62.8 Å²	62.8	11%	0.108	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-42.1	177.7	-72.3	-60	-69.3	0	0	112.4	T325 Y338 K346 V362 G363	T325-M342 HydrophobicContact CG2-SD 4.33Å; Y338-M342 HydrophobicContact CD1-CG 4.29Å; Y338-M342 HydrophobicContact CD2-CG 4.11Å; Y338-M342 HydrophobicContact CE1-CG 3.88Å; Y338-M342 HydrophobicContact CE2-CG 3.65Å; Y338-M342 HydrophobicContact CE2-SD 3.85Å; Y338-M342 HydrophobicContact CG-CG 4.41Å; Y338-M342 WeakPolarHBondContact O-CG 3.45Å; Y338-M342 PolarHBondContact O-N 3.39Å; M342-K346 VanDerWaalsContact O-CB 3.32Å; M342-K346 WeakPolarHBondContact O-CB 3.46Å; M342-K346 WeakPolarHBondContact O-CG 3.33Å; M342-K346 PolarHBondContact O-N 2.94Å; M342-V362 HydrophobicContact CE-CG1 4.26Å; M342-V362 WeakPolarHBondContact CE-O 3.33Å; M342-V362 HydrophobicContact SD-CG1 3.99Å; M342-G363 VanDerWaalsContact SD-CA 3.6Å
343	S	98.2	Very high	97.1	Very high	53 Å²	53	58.6 Å²	58.6	37%	0.371	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-48	176.4	178.3	0	0	0	0	112	Q339 K340 L341 K346 K347	Q339-S343 WeakPolarHBondContact O-CB 3.42Å; Q339-S343 PolarHBondContact O-N 3.23Å; K340-S343 PolarHBondContact O-N 2.82Å; L341-S343 VanDerWaalsContact C-N 3.32Å; L341-S343 PolarHBondContact O-N 3.27Å; S343-K346 PolarHBondContact O-N 3.15Å; S343-K347 PolarHBondContact O-N 3.13Å; S343-K347 VanDerWaalsContact O-N 3.13Å
344	M	98.3	Very high	97.3	Very high	1 Å²	1	62 Å²	62	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-64.6	-46.3	179.1	-74.2	171.7	75.1	0	0	111.5	K340 L341 K346 K347 V348 Y388 Y390 L423 D426 I427	K340-M344 HydrophobicContact CD-CG 4.18Å; K340-M344 HydrophobicContact CD-SD 4.06Å; K340-M344 VanDerWaalsContact CE-SD 3.56Å; K340-M344 HydrophobicContact CG-SD 4.01Å; K340-M344 WeakPolarHBondContact O-CG 3.36Å; K340-M344 PolarHBondContact O-N 3.29Å; L341-M344 PolarHBondContact O-N 3.21Å; M344-K346 VanDerWaalsContact C-N 3.32Å; M344-K346 PolarHBondContact O-N 3.46Å; M344-K347 WeakPolarHBondContact O-CB 3.35Å; M344-K347 PolarHBondContact O-N 3.33Å; M344-K347 VanDerWaalsContact O-N 3.13Å; M344-V348 WeakPolarHBondContact O-CG2 3.08Å; M344-V348 PolarHBondContact O-N 3.5Å; M344-Y388 HydrophobicContact CE-CD1 4.39Å; M344-Y388 HydrophobicContact CE-CG 4.32Å; M344-Y388 HydrophobicContact SD-CD1 3.83Å; M344-Y388 HydrophobicContact SD-CE1 3.76Å; M344-Y388 HydrophobicContact SD-CG 4.35Å; M344-Y390 WeakPolarHBondContact CB-OH 3.44Å; M344-L423 HydrophobicContact CB-CD2 3.91Å; M344-L423 HydrophobicContact CE-CB 4.37Å; M344-L423 HydrophobicContact CE-CD2 3.86Å; M344-D426 HydrophobicContact CE-CB 4.02Å; M344-D426 HydrophobicContact CG-CB 4.11Å; M344-D426 WeakPolarHBondContact CG-OD2 3.1Å; M344-I427 HydrophobicContact CE-CD1 3.97Å; M344-I427 HydrophobicContact CE-CG1 3.68Å
345	G	98.4	Very high	97.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-38.4	175.5	0	0	0	0	0	112.8	L341 K347 V348 K349 V362	L341-G345 PolarHBondContact O-N 2.82Å; G345-K347 VanDerWaalsContact C-N 3.35Å; G345-K347 PolarHBondContact O-N 3.44Å; G345-V348 WeakPolarHBondContact O-CB 3.28Å; G345-V348 PolarHBondContact O-N 3.46Å; G345-V348 VanDerWaalsContact O-N 3.17Å; G345-K349 PolarHBondContact O-N 3.15Å; G345-V362 VanDerWaalsContact O-CG2 3.32Å; G345-V362 WeakPolarHBondContact O-CG2 3.48Å
346	K	98.6	Very high	97.5	Very high	110 Å²	110	66.1 Å²	66.1	48%	0.478	31%	0.313	S	S	.	.	H	α-helix	trans	-62.6	-38.2	173.8	-77.7	172.5	-175	178.2	0	112.5	M342 S343 M344 K349 Q350	M342-K346 VanDerWaalsContact O-CB 3.32Å; M342-K346 WeakPolarHBondContact O-CB 3.46Å; M342-K346 WeakPolarHBondContact O-CG 3.33Å; M342-K346 PolarHBondContact O-N 2.94Å; S343-K346 PolarHBondContact O-N 3.15Å; M344-K346 VanDerWaalsContact C-N 3.32Å; M344-K346 PolarHBondContact O-N 3.46Å; K346-K349 VanDerWaalsContact O-CG 3.25Å; K346-K349 WeakPolarHBondContact O-CG 3.45Å; K346-Q350 WeakPolarHBondContact O-CB 3.4Å; K346-Q350 PolarHBondContact O-N 3.48Å
347	K	98.6	Very high	97.7	Very high	88 Å²	88	62.9 Å²	62.9	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-64.5	-42.6	172.4	-68.8	174.1	176.2	179.2	0	111.1	S343 M344 G345 Q350 M351 V422 D426	S343-K347 PolarHBondContact O-N 3.13Å; S343-K347 VanDerWaalsContact O-N 3.13Å; M344-K347 WeakPolarHBondContact O-CB 3.35Å; M344-K347 PolarHBondContact O-N 3.33Å; M344-K347 VanDerWaalsContact O-N 3.13Å; G345-K347 VanDerWaalsContact C-N 3.35Å; G345-K347 PolarHBondContact O-N 3.44Å; K347-Q350 PolarHBondContact O-N 3.28Å; K347-M351 WeakPolarHBondContact O-CB 3.42Å; K347-M351 VanDerWaalsContact O-CG 3.3Å; K347-M351 WeakPolarHBondContact O-CG 3.38Å; K347-M351 PolarHBondContact O-N 2.94Å; K347-V422 HydrophobicContact CB-CG1 3.74Å; K347-D426 WeakPolarHBondContact CD-OD1 3.25Å; K347-D426 WeakPolarHBondContact CD-OD2 3.16Å; K347-D426 IonicContact NZ-OD1 3.46Å; K347-D426 PolarHBondContact NZ-OD1 3.44Å; K347-D426 IonicContact NZ-OD2 2.89Å; K347-D426 PolarHBondContact NZ-OD2 2.91Å
348	V	98.6	Very high	97.9	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-53	177.2	173.9	0	0	0	0	111.2	I323 M344 G345 Q350 M351 I352 A419 V422 L423	I323-V348 HydrophobicContact CD1-CB 3.78Å; I323-V348 HydrophobicContact CD1-CG1 3.38Å; M344-V348 WeakPolarHBondContact O-CG2 3.08Å; M344-V348 PolarHBondContact O-N 3.5Å; G345-V348 WeakPolarHBondContact O-CB 3.28Å; G345-V348 PolarHBondContact O-N 3.46Å; G345-V348 VanDerWaalsContact O-N 3.17Å; V348-Q350 VanDerWaalsContact C-N 3.25Å; V348-Q350 PolarHBondContact O-N 3.03Å; V348-M351 PolarHBondContact O-N 3.34Å; V348-M351 VanDerWaalsContact O-N 3.15Å; V348-I352 HydrophobicContact CG1-CD1 3.67Å; V348-I352 HydrophobicContact CG1-CG1 4.22Å; V348-I352 WeakPolarHBondContact O-CG1 3.5Å; V348-I352 PolarHBondContact O-N 3.48Å; V348-A419 HydrophobicContact CG1-CB 3.45Å; V348-A419 VanDerWaalsContact CG1-CB 3.45Å; V348-A419 HydrophobicContact CG2-CB 4.47Å; V348-V422 HydrophobicContact CG2-CB 4Å; V348-V422 HydrophobicContact CG2-CG1 3.75Å; V348-L423 HydrophobicContact CG2-CD1 4.4Å; V348-L423 HydrophobicContact CG2-CD2 3.68Å; V348-L423 HydrophobicContact CG2-CG 3.69Å
349	K	97.9	Very high	97.9	Very high	70 Å²	70	60.6 Å²	60.6	30%	0.304	30%	0.301	S	S	.	.	H	α-helix	trans	-57.7	-41.4	-178.6	76.4	173.7	-173.6	172.3	0	111.4	I323 G345 K346 I352 Q353 Y360 V362	I323-K349 HydrophobicContact CD1-CB 4.36Å; G345-K349 PolarHBondContact O-N 3.15Å; K346-K349 VanDerWaalsContact O-CG 3.25Å; K346-K349 WeakPolarHBondContact O-CG 3.45Å; K349-I352 PolarHBondContact O-N 3.13Å; K349-Q353 WeakPolarHBondContact O-CB 3.24Å; K349-Q353 PolarHBondContact O-N 3.11Å; K349-Y360 WeakPolarHBondContact CD-O 3.43Å; K349-V362 HydrophobicContact CB-CG2 3.92Å; K349-V362 HydrophobicContact CD-CG2 3.74Å; K349-V362 HydrophobicContact CG-CG2 4.03Å
350	Q	98.6	Very high	97.8	Very high	87 Å²	87	54 Å²	54	41%	0.407	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-44.7	179.6	-173.5	64.9	51.9	0	0	111	K346 K347 V348 Q353 N354	K346-Q350 WeakPolarHBondContact O-CB 3.4Å; K346-Q350 PolarHBondContact O-N 3.48Å; K347-Q350 PolarHBondContact O-N 3.28Å; V348-Q350 VanDerWaalsContact C-N 3.25Å; V348-Q350 PolarHBondContact O-N 3.03Å; Q350-Q353 PolarHBondContact O-N 3.44Å; Q350-N354 PolarHBondContact NE2-OD1 3.1Å; Q350-N354 WeakPolarHBondContact O-CB 3.23Å; Q350-N354 PolarHBondContact O-N 3.14Å; Q350-N354 PolarHBondContact O-OD1 3.04Å
351	M	98.5	Very high	97.8	Very high	54 Å²	54	52.9 Å²	52.9	27%	0.266	27%	0.267	S	S	.	.	H	α-helix	trans	-69.8	-34	-179.5	-71.4	-55.7	-59.1	0	0	112.8	K347 V348 R355 T418 V422	K347-M351 WeakPolarHBondContact O-CB 3.42Å; K347-M351 VanDerWaalsContact O-CG 3.3Å; K347-M351 WeakPolarHBondContact O-CG 3.38Å; K347-M351 PolarHBondContact O-N 2.94Å; V348-M351 PolarHBondContact O-N 3.34Å; V348-M351 VanDerWaalsContact O-N 3.15Å; M351-R355 HydrophobicContact CE-CG 4.4Å; M351-R355 VanDerWaalsContact CE-CZ 3.47Å; M351-R355 VanDerWaalsContact CE-NE 3.27Å; M351-R355 VanDerWaalsContact O-CB 3.32Å; M351-R355 WeakPolarHBondContact O-CB 2.98Å; M351-R355 WeakPolarHBondContact O-CG 3.32Å; M351-R355 PolarHBondContact O-N 3.32Å; M351-R355 VanDerWaalsContact O-N 3.1Å; M351-T418 HydrophobicContact CB-CG2 3.87Å; M351-V422 HydrophobicContact CB-CG2 3.82Å; M351-V422 HydrophobicContact CG-CG2 3.73Å
352	I	98.4	Very high	97.7	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-47.4	172.7	-70.3	175.2	0	0	0	110.4	V348 K349 N354 R355 H356 Y360 Q415 T418 A419	V348-I352 HydrophobicContact CG1-CD1 3.67Å; V348-I352 HydrophobicContact CG1-CG1 4.22Å; V348-I352 WeakPolarHBondContact O-CG1 3.5Å; V348-I352 PolarHBondContact O-N 3.48Å; K349-I352 PolarHBondContact O-N 3.13Å; I352-N354 PolarHBondContact O-N 2.98Å; I352-R355 PolarHBondContact O-N 3.41Å; I352-H356 WeakPolarHBondContact O-CA 3.3Å; I352-H356 WeakPolarHBondContact O-CB 3.23Å; I352-H356 PolarHBondContact O-N 2.95Å; I352-Y360 HydrophobicContact CD1-CD2 4.26Å; I352-Y360 HydrophobicContact CD1-CE2 4.26Å; I352-Y360 HydrophobicContact CG2-CD2 3.82Å; I352-Y360 HydrophobicContact CG2-CE2 3.83Å; I352-Q415 HydrophobicContact CG2-CB 4.4Å; I352-Q415 HydrophobicContact CG2-CG 4.24Å; I352-T418 HydrophobicContact CG1-CG2 4.23Å; I352-A419 HydrophobicContact CD1-CB 4.28Å
353	Q	98.3	Very high	97.7	Very high	82 Å²	82	52.8 Å²	52.8	38%	0.383	27%	0.268	S	S	.	.	H	α-helix	trans	-58.9	-48.7	178.1	-172.9	177.7	5.7	0	0	111.3	K349 Q350 R355 G357 Y358 V359	K349-Q353 WeakPolarHBondContact O-CB 3.24Å; K349-Q353 PolarHBondContact O-N 3.11Å; Q350-Q353 PolarHBondContact O-N 3.44Å; Q353-R355 PolarHBondContact O-N 3.28Å; Q353-G357 VanDerWaalsContact O-CA 3.25Å; Q353-G357 WeakPolarHBondContact O-CA 3.26Å; Q353-G357 PolarHBondContact O-N 3.24Å; Q353-Y358 WeakPolarHBondContact CA-O 3.26Å; Q353-Y358 WeakPolarHBondContact CB-O 3.33Å; Q353-Y358 PolarHBondContact N-O 3.07Å; Q353-V359 HydrophobicContact CG-CG2 4.33Å
354	N	98.4	Very high	97.5	Very high	104 Å²	104	50.3 Å²	50.3	56%	0.556	25%	0.251	S	S	*	.	H	α-helix	trans	-63.5	-38.2	-179.1	-69.9	-3.9	0	0	0	113.2	Q350 I352	Q350-N354 PolarHBondContact NE2-OD1 3.1Å; Q350-N354 WeakPolarHBondContact O-CB 3.23Å; Q350-N354 PolarHBondContact O-N 3.14Å; Q350-N354 PolarHBondContact O-OD1 3.04Å; I352-N354 PolarHBondContact O-N 2.98Å
355	R	98.2	Very high	97.2	Very high	145 Å²	145	50.6 Å²	50.6	55%	0.547	25%	0.253	S	S	.	.	H	α-helix	trans	-91.6	-28.3	-173.9	-69.5	-176.6	177.1	174.1	2.5	114.2	M351 I352 Q353	M351-R355 HydrophobicContact CE-CG 4.4Å; M351-R355 VanDerWaalsContact CE-CZ 3.47Å; M351-R355 VanDerWaalsContact CE-NE 3.27Å; M351-R355 VanDerWaalsContact O-CB 3.32Å; M351-R355 WeakPolarHBondContact O-CB 2.98Å; M351-R355 WeakPolarHBondContact O-CG 3.32Å; M351-R355 PolarHBondContact O-N 3.32Å; M351-R355 VanDerWaalsContact O-N 3.1Å; I352-R355 PolarHBondContact O-N 3.41Å; Q353-R355 PolarHBondContact O-N 3.28Å
356	H	97.6	Very high	97	Very high	44 Å²	44	50.6 Å²	50.6	20%	0.204	25%	0.253	C	S	.	.	H	α-helix	trans	-128	-12.4	-170.2	-50.8	-72.8	0	0	0	113.6	I352 Y358 R414 Q415 T418	I352-H356 WeakPolarHBondContact O-CA 3.3Å; I352-H356 WeakPolarHBondContact O-CB 3.23Å; I352-H356 PolarHBondContact O-N 2.95Å; H356-Y358 HydrophobicContact CB-CD2 3.82Å; H356-Y358 HydrophobicContact CB-CE2 4.45Å; H356-Y358 WeakPolarHBondContact O-CD2 3.49Å; H356-Y358 WeakPolarHBondContact O-CE2 3.47Å; H356-R414 PolarHBondContact NE2-O 3.39Å; H356-Q415 HydrophobicContact CB-CG 3.9Å; H356-T418 PolarHBondContact NE2-OG1 2.91Å
357	G	96.7	Very high	96.7	Very high	60 Å²	60	47.6 Å²	47.6	62%	0.619	24%	0.241	S	C	*	.			trans	80.4	10.4	-179.1	0	0	0	0	0	115.1	Q353	Q353-G357 VanDerWaalsContact O-CA 3.25Å; Q353-G357 WeakPolarHBondContact O-CA 3.26Å; Q353-G357 PolarHBondContact O-N 3.24Å
358	Y	96.4	Very high	96.4	Very high	45 Å²	45	44.1 Å²	44.1	18%	0.176	23%	0.226	C	C	.	.			trans	-97.3	135.6	-178.4	-72.7	-100.2	0	0	0	111.3	Q321 Q353 H356 C395 Q411 Q415	Q321-Y358 VanDerWaalsContact OE1-CD1 3.31Å; Q353-Y358 WeakPolarHBondContact CA-O 3.26Å; Q353-Y358 WeakPolarHBondContact CB-O 3.33Å; Q353-Y358 PolarHBondContact N-O 3.07Å; H356-Y358 HydrophobicContact CB-CD2 3.82Å; H356-Y358 HydrophobicContact CB-CE2 4.45Å; H356-Y358 WeakPolarHBondContact O-CD2 3.49Å; H356-Y358 WeakPolarHBondContact O-CE2 3.47Å; Y358-C395 WeakPolarHBondContact CD1-SG 3.43Å; Y358-Q411 HydrophobicContact CE2-CG 4.15Å; Y358-Q411 PolarHBondContact OH-NE2 2.87Å; Y358-Q411 PolarHBondContact OH-OE1 3.43Å; Y358-Q415 HydrophobicContact CD2-CG 4.48Å; Y358-Q415 VanDerWaalsContact CG-OE1 3.27Å
359	V	95.2	Very high	95.9	Very high	78 Å²	78	44.6 Å²	44.6	47%	0.473	23%	0.228	S	C	.	.			trans	-100.6	117.8	-179.8	-177.6	0	0	0	0	109.2	Q321 Q353	Q321-V359 WeakPolarHBondContact CB-O 3.26Å; Q321-V359 PolarHBondContact NE2-O 3.13Å; Q353-V359 HydrophobicContact CG-CG2 4.33Å
360	Y	96.6	Very high	95.5	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.027	23%	0.227	C	C	.	.			trans	-106.2	145.4	174.7	-81.6	-113.1	0	0	0	111.2	Q321 I323 K349 I352 I392 E393 C395	Q321-Y360 VanDerWaalsContact CA-CD1 3.49Å; Q321-Y360 VanDerWaalsContact CA-CE1 3.42Å; Q321-Y360 HydrophobicContact CB-CD1 3.9Å; Q321-Y360 HydrophobicContact CB-CD2 3.86Å; Q321-Y360 HydrophobicContact CB-CE1 3.93Å; Q321-Y360 HydrophobicContact CB-CE2 3.87Å; Q321-Y360 HydrophobicContact CB-CG 3.87Å; Q321-Y360 HydrophobicContact CG-CD2 4.23Å; Q321-Y360 HydrophobicContact CG-CE1 4.32Å; Q321-Y360 HydrophobicContact CG-CE2 3.78Å; Q321-Y360 CarbonylContact O-C 3.56Å; Q321-Y360 WeakPolarHBondContact O-CA 3.33Å; Q321-Y360 WeakPolarHBondContact O-CD1 3.2Å; I323-Y360 HydrophobicContact CD1-CD1 4.29Å; I323-Y360 HydrophobicContact CG1-CD1 3.82Å; I323-Y360 HydrophobicContact CG1-CG 4.45Å; K349-Y360 WeakPolarHBondContact CD-O 3.43Å; I352-Y360 HydrophobicContact CD1-CD2 4.26Å; I352-Y360 HydrophobicContact CD1-CE2 4.26Å; I352-Y360 HydrophobicContact CG2-CD2 3.82Å; I352-Y360 HydrophobicContact CG2-CE2 3.83Å; Y360-I392 HydrophobicContact CE1-CG2 4.33Å; Y360-E393 WeakPolarHBondContact CE1-O 3.45Å; Y360-C395 PolarHBondContact OH-SG 3.26Å
361	Q	95.9	Very high	95.3	Very high	53 Å²	53	43.5 Å²	43.5	25%	0.248	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	150	168.4	-67.8	-176.3	68.8	0	0	110.7	N75 Q321 Y322 I323 L368	N75-Q361 PolarHBondContact ND2-OE1 2.99Å; Q321-Q361 PolarHBondContact O-N 3.36Å; Y322-Q361 CarbonylContact C-O 3.54Å; Y322-Q361 WeakPolarHBondContact CA-O 3.35Å; Y322-Q361 HydrophobicContact CD1-CB 3.68Å; Y322-Q361 HydrophobicContact CE1-CB 3.67Å; Y322-Q361 HydrophobicContact CE1-CG 4.22Å; Y322-Q361 PolarHBondContact OH-NE2 3.35Å; I323-Q361 PolarHBondContact N-O 2.91Å; Q361-L368 HydrophobicContact CB-CD1 4.23Å
362	V	97	Very high	95.1	Very high	18 Å²	18	41.5 Å²	41.5	11%	0.109	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.9	-175.9	-176.6	0	0	0	0	108.6	I323 M342 G345 K349	I323-V362 HydrophobicContact CB-CG2 4.06Å; I323-V362 HydrophobicContact CD1-CG2 4.09Å; I323-V362 HydrophobicContact CG1-CG2 4.47Å; I323-V362 WeakPolarHBondContact O-CA 3.46Å; M342-V362 HydrophobicContact CE-CG1 4.26Å; M342-V362 WeakPolarHBondContact CE-O 3.33Å; M342-V362 HydrophobicContact SD-CG1 3.99Å; G345-V362 VanDerWaalsContact O-CG2 3.32Å; G345-V362 WeakPolarHBondContact O-CG2 3.48Å; K349-V362 HydrophobicContact CB-CG2 3.92Å; K349-V362 HydrophobicContact CD-CG2 3.74Å; K349-V362 HydrophobicContact CG-CG2 4.03Å
363	G	96.5	Very high	95.1	Very high	5 Å²	5	41.3 Å²	41.3	5%	0.052	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.8	177.4	-176.3	0	0	0	0	0	112.5	I323 L324 T325 M342	I323-G363 PolarHBondContact O-N 3.31Å; L324-G363 CarbonylContact C-O 3.52Å; L324-G363 WeakPolarHBondContact CA-O 3.31Å; T325-G363 PolarHBondContact N-O 2.9Å; T325-G363 PolarHBondContact OG1-O 3.36Å; M342-G363 VanDerWaalsContact SD-CA 3.6Å
364	S	94.9	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	138.3	169.8	166.6	0	0	0	0	110.8	T325 F327 S366 E367 L368	T325-S364 WeakPolarHBondContact O-CA 3.27Å; T325-S364 WeakPolarHBondContact OG1-CA 3.23Å; T325-S364 PolarHBondContact OG1-N 3.48Å; F327-S364 PolarHBondContact O-OG 3.47Å; F327-S364 VanDerWaalsContact O-OG 3.08Å; S364-S366 VanDerWaalsContact C-N 3.31Å; S364-S366 PolarHBondContact O-N 3.29Å; S364-S366 PolarHBondContact OG-N 2.98Å; S364-S366 PolarHBondContact OG-OG 3.24Å; S364-S366 VanDerWaalsContact OG-OG 3.05Å; S364-E367 PolarHBondContact O-N 3.2Å; S364-L368 PolarHBondContact O-N 2.94Å
365	S	92.7	Very high	95	Very high	8 Å²	8	32.5 Å²	32.5	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-57.2	-42.5	175.5	44.5	0	0	0	0	112.5	T325 G328 E367 L369 Y370	T325-S365 PolarHBondContact O-N 2.9Å; T325-S365 VanDerWaalsContact O-N 3.13Å; G328-S365 WeakPolarHBondContact CA-OG 3.48Å; G328-S365 PolarHBondContact N-OG 3.47Å; S365-E367 VanDerWaalsContact C-N 3.34Å; S365-E367 PolarHBondContact O-N 3.2Å; S365-L369 WeakPolarHBondContact O-CA 3.07Å; S365-L369 VanDerWaalsContact O-CB 3.29Å; S365-L369 WeakPolarHBondContact O-CB 3.37Å; S365-L369 PolarHBondContact O-N 3.16Å; S365-Y370 PolarHBondContact O-N 3.46Å
366	S	93.3	Very high	95	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-71.1	-28.4	-178.8	61.8	0	0	0	0	113.8	F327 G328 S330 R331 S364	F327-S366 PolarHBondContact O-OG 3.21Å; G328-S366 WeakPolarHBondContact O-CB 3.46Å; S330-S366 PolarHBondContact O-OG 3.12Å; R331-S366 WeakPolarHBondContact CA-OG 3.5Å; R331-S366 PolarHBondContact NE-O 3.05Å; R331-S366 VanDerWaalsContact NE-O 3.08Å; S364-S366 VanDerWaalsContact C-N 3.31Å; S364-S366 PolarHBondContact O-N 3.29Å; S364-S366 PolarHBondContact OG-N 2.98Å; S364-S366 PolarHBondContact OG-OG 3.24Å; S364-S366 VanDerWaalsContact OG-OG 3.05Å
367	E	92.2	Very high	95.1	Very high	46 Å²	46	23.8 Å²	23.8	22%	0.215	13%	0.134	C	C	.	.	H	α-helix	trans	-80.8	-47.4	177	-76.8	171.4	-127.8	0	0	112.1	H74 Y334 S364 S365	H74-E367 WeakPolarHBondContact CB-O 3.42Å; Y334-E367 WeakPolarHBondContact CE1-OE1 3.22Å; Y334-E367 PolarHBondContact OH-OE1 3.36Å; S364-E367 PolarHBondContact O-N 3.2Å; S365-E367 VanDerWaalsContact C-N 3.34Å; S365-E367 PolarHBondContact O-N 3.2Å
368	L	91.7	Very high	95.1	Very high	15 Å²	15	20.9 Å²	20.9	8%	0.079	11%	0.105	C	C	.	.	H	α-helix	trans	-75.9	-37.3	-178.2	-68	-172.3	0	0	0	112.4	R73 H74 Y322 L324 Q361 S364	R73-L368 WeakPolarHBondContact CA-O 3.22Å; R73-L368 WeakPolarHBondContact CB-O 3.38Å; H74-L368 HydrophobicContact CB-CD2 4.31Å; H74-L368 PolarHBondContact N-O 3.34Å; Y322-L368 HydrophobicContact CD1-CB 4.18Å; Y322-L368 HydrophobicContact CD1-CD1 3.85Å; Y322-L368 HydrophobicContact CE1-CB 4.22Å; Y322-L368 HydrophobicContact CE1-CD1 4.3Å; L324-L368 HydrophobicContact CD2-CB 4.27Å; L324-L368 HydrophobicContact CD2-CD1 4.19Å; Q361-L368 HydrophobicContact CB-CD1 4.23Å; S364-L368 PolarHBondContact O-N 2.94Å
369	L	89.5	Confident	95.2	Very high	11 Å²	11	19.3 Å²	19.3	6%	0.058	10%	0.098	C	C	.	.	S	Bend	trans	-111	-102.9	-178.3	-50.4	-172.8	0	0	0	109.8	R73 Y322 L324 S365 E393	R73-L369 HydrophobicContact CB-CD2 4.47Å; R73-L369 VanDerWaalsContact CD-CD2 3.42Å; R73-L369 HydrophobicContact CG-CD2 3.7Å; Y322-L369 HydrophobicContact CD1-CD2 4.21Å; Y322-L369 HydrophobicContact CD2-CD2 4.14Å; Y322-L369 HydrophobicContact CE1-CD2 4.13Å; Y322-L369 HydrophobicContact CE2-CD2 4.1Å; Y322-L369 HydrophobicContact CG-CD2 4.24Å; L324-L369 HydrophobicContact CD1-CD1 3.47Å; L324-L369 VanDerWaalsContact CD1-CD1 3.47Å; L324-L369 HydrophobicContact CD1-CG 4.24Å; L324-L369 HydrophobicContact CD2-CD1 4.27Å; L324-L369 HydrophobicContact CD2-CG 4.18Å; L324-L369 HydrophobicContact CG-CD1 4.49Å; S365-L369 WeakPolarHBondContact O-CA 3.07Å; S365-L369 VanDerWaalsContact O-CB 3.29Å; S365-L369 WeakPolarHBondContact O-CB 3.37Å; S365-L369 PolarHBondContact O-N 3.16Å; L369-E393 HydrophobicContact CD1-CG 4.47Å
370	Y	88.8	Confident	95.4	Very high	72 Å²	72	15.6 Å²	15.6	28%	0.282	8%	0.076	S	C	.	.			trans	-156.3	163.9	-173.3	44.9	-94.8	0	0	0	108.7	F71 S365	F71-Y370 HydrophobicContact CB-CD1 3.78Å; F71-Y370 HydrophobicContact CB-CE1 4.09Å; F71-Y370 AromaticContact CD2-CD1 3.78Å; F71-Y370 HydrophobicContact CD2-CD1 3.78Å; F71-Y370 AromaticContact CD2-CE1 3.55Å; F71-Y370 HydrophobicContact CD2-CE1 3.55Å; F71-Y370 HydrophobicContact CD2-CE2 4.49Å; F71-Y370 HydrophobicContact CD2-CG 4.35Å; F71-Y370 AromaticContact CD2-CZ 3.93Å; F71-Y370 HydrophobicContact CG-CD1 4.11Å; F71-Y370 HydrophobicContact CG-CE1 4.25Å; S365-Y370 PolarHBondContact O-N 3.46Å
371	E	93.8	Very high	95.4	Very high	63 Å²	63	15.9 Å²	15.9	29%	0.294	8%	0.08	S	C	.	.			trans	-66	139.1	-179.8	-63.5	179.5	154.5	0	0	111.3	G275 G328 R331	G275-E371 WeakPolarHBondContact CA-O 3.17Å; G328-E371 CarbonylContact O-C 3.45Å; G328-E371 VanDerWaalsContact O-CA 3.25Å; G328-E371 WeakPolarHBondContact O-CA 3.41Å; R331-E371 HydrophobicContact CG-CG 4.49Å; R331-E371 PolarHBondContact N-OE1 2.94Å
372	A	95.5	Very high	95.5	Very high	11 Å²	11	13.4 Å²	13.4	9%	0.091	7%	0.069	C	C	.	.			trans	-137	87.8	-177	0	0	0	0	0	109.5	G328 A375	G328-A372 PolarHBondContact O-N 2.85Å; A372-A375 HydrophobicContact CB-CB 4.35Å
373	A	97.2	Very high	95.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	137.8	179.5	0	0	0	0	0	111	R264 K269 V272 G275 A276	R264-A373 WeakPolarHBondContact CA-O 3.44Å; R264-A373 WeakPolarHBondContact CD-O 3.35Å; K269-A373 WeakPolarHBondContact O-CB 3.36Å; V272-A373 HydrophobicContact CG2-CB 3.97Å; V272-A373 WeakPolarHBondContact O-CB 3.38Å; G275-A373 PolarHBondContact O-N 3.31Å; A276-A373 HydrophobicContact CB-CB 4.06Å
374	G	98.1	Very high	95.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	28.4	-179.1	0	0	0	0	0	115	N263 R264 N265 F266 K269	N263-G374 CarbonylContact C-O 3.6Å; R264-G374 CarbonylContact C-O 3.44Å; R264-G374 VanDerWaalsContact CA-O 3.24Å; R264-G374 WeakPolarHBondContact CA-O 3.08Å; R264-G374 PolarHBondContact N-O 2.91Å; N265-G374 PolarHBondContact N-O 3.25Å; F266-G374 WeakPolarHBondContact CB-O 3.32Å; F266-G374 PolarHBondContact N-O 3.35Å; F266-G374 VanDerWaalsContact O-CA 3.23Å; F266-G374 WeakPolarHBondContact O-CA 2.83Å; K269-G374 PolarHBondContact O-N 3.25Å
375	A	98.3	Very high	95.7	Very high	1 Å²	1	25 Å²	25	1%	0.008	12%	0.118	C	C	.	.			trans	-80.3	156.4	175.2	0	0	0	0	0	113	N263 A372 D377 Y379	N263-A375 WeakPolarHBondContact O-CA 3.45Å; N263-A375 WeakPolarHBondContact OD1-CA 3.28Å; A372-A375 HydrophobicContact CB-CB 4.35Å; A375-D377 VanDerWaalsContact CB-OD1 3.29Å; A375-D377 WeakPolarHBondContact CB-OD1 3.36Å; A375-Y379 PolarHBondContact O-N 3.26Å; A375-Y379 VanDerWaalsContact O-N 3.09Å
376	T	98.3	Very high	96	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-65.2	-44.4	-176.7	52	0	0	0	0	113.1	I192 N263 F266 Y313 D378 Y379 V380	I192-T376 HydrophobicContact CD1-CG2 3.69Å; N263-T376 PolarHBondContact OD1-N 3.43Å; N263-T376 PolarHBondContact OD1-OG1 3.15Å; F266-T376 HydrophobicContact CD2-CG2 3.67Å; F266-T376 HydrophobicContact CE1-CG2 4.08Å; F266-T376 HydrophobicContact CE2-CG2 3.15Å; F266-T376 HydrophobicContact CG-CG2 4.35Å; F266-T376 HydrophobicContact CZ-CG2 3.4Å; Y313-T376 VanDerWaalsContact OH-CB 3.25Å; Y313-T376 WeakPolarHBondContact OH-CB 3.39Å; Y313-T376 PolarHBondContact OH-OG1 3.22Å; T376-D378 VanDerWaalsContact C-N 3.34Å; T376-D378 PolarHBondContact O-N 3.33Å; T376-Y379 WeakPolarHBondContact O-CB 3.41Å; T376-Y379 PolarHBondContact O-N 3.27Å; T376-V380 WeakPolarHBondContact O-CG2 3.34Å; T376-V380 PolarHBondContact O-N 3.31Å
377	D	97.7	Very high	96	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.027	13%	0.129	C	C	.	.	H	α-helix	trans	-61.6	-41.9	-179.9	53	-4.7	0	0	0	111.8	A375 V380 A381 T391	A375-D377 VanDerWaalsContact CB-OD1 3.29Å; A375-D377 WeakPolarHBondContact CB-OD1 3.36Å; D377-V380 VanDerWaalsContact O-CG2 3.22Å; D377-V380 WeakPolarHBondContact O-CG2 3.38Å; D377-A381 WeakPolarHBondContact O-CB 3.36Å; D377-A381 PolarHBondContact O-N 2.88Å; D377-A381 VanDerWaalsContact O-N 3.08Å; D377-T391 VanDerWaalsContact CG-OG1 3.27Å; D377-T391 WeakPolarHBondContact OD2-CB 3.15Å; D377-T391 PolarHBondContact OD2-OG1 3.2Å
378	D	98.2	Very high	96.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-42.8	173	-81.3	16.6	0	0	0	112.2	F268 P326 F327 G328 F329 T376 G382	F268-D378 HydrophobicContact CD1-CB 4.07Å; F268-D378 WeakPolarHBondContact CD1-O 3.48Å; P326-D378 WeakPolarHBondContact CB-OD1 3.49Å; F327-D378 WeakPolarHBondContact CA-OD1 3.3Å; F327-D378 HydrophobicContact CD1-CB 4.1Å; G328-D378 PolarHBondContact N-OD1 2.92Å; G328-D378 PolarHBondContact N-OD2 3.22Å; F329-D378 WeakPolarHBondContact CB-OD2 3.36Å; F329-D378 WeakPolarHBondContact CD1-OD2 3.28Å; F329-D378 PolarHBondContact N-OD2 3.04Å; T376-D378 VanDerWaalsContact C-N 3.34Å; T376-D378 PolarHBondContact O-N 3.33Å; D378-G382 VanDerWaalsContact O-CA 3.27Å; D378-G382 WeakPolarHBondContact O-CA 3.24Å; D378-G382 PolarHBondContact O-N 2.86Å
379	Y	98.6	Very high	96.6	Very high	11 Å²	11	25.9 Å²	25.9	4%	0.043	12%	0.124	C	C	.	.	H	α-helix	trans	-62.7	-47.7	176.2	173.6	-104.6	0	0	0	112.5	F266 P267 F268 I300 L303 N304 A375 T376 A381 E383 L384	F266-Y379 HydrophobicContact CB-CG 4.19Å; F266-Y379 AromaticContact CD1-CD1 3.67Å; F266-Y379 HydrophobicContact CD1-CD1 3.67Å; F266-Y379 HydrophobicContact CD1-CE1 4.3Å; F266-Y379 AromaticContact CD1-CG 3.84Å; F266-Y379 HydrophobicContact CD1-CG 3.84Å; F266-Y379 HydrophobicContact CE1-CD1 4.26Å; F266-Y379 HydrophobicContact CG-CG 4.43Å; P267-Y379 HydrophobicContact CG-CD2 3.79Å; P267-Y379 HydrophobicContact CG-CE2 3.58Å; F268-Y379 HydrophobicContact CB-CD2 3.97Å; I300-Y379 HydrophobicContact CG1-CE1 3.96Å; L303-Y379 HydrophobicContact CD1-CD1 4.3Å; L303-Y379 HydrophobicContact CD1-CE1 4.13Å; N304-Y379 PolarHBondContact ND2-OH 3.25Å; A375-Y379 PolarHBondContact O-N 3.26Å; A375-Y379 VanDerWaalsContact O-N 3.09Å; T376-Y379 WeakPolarHBondContact O-CB 3.41Å; T376-Y379 PolarHBondContact O-N 3.27Å; Y379-A381 PolarHBondContact O-N 3Å; Y379-E383 HydrophobicContact CD2-CB 3.75Å; Y379-E383 HydrophobicContact CD2-CG 4.27Å; Y379-E383 HydrophobicContact CE2-CB 3.7Å; Y379-E383 HydrophobicContact CE2-CG 3.73Å; Y379-E383 WeakPolarHBondContact O-CA 3.34Å; Y379-E383 VanDerWaalsContact O-CB 3.26Å; Y379-E383 WeakPolarHBondContact O-CB 3.47Å; Y379-E383 PolarHBondContact O-N 2.68Å; Y379-L384 HydrophobicContact CD1-CD1 4.37Å; Y379-L384 HydrophobicContact CD1-CG 4.46Å; Y379-L384 HydrophobicContact CE1-CD1 3.71Å; Y379-L384 HydrophobicContact CE1-CD2 4.34Å; Y379-L384 HydrophobicContact CE1-CG 3.86Å; Y379-L384 PolarHBondContact O-N 3.44Å
380	V	98.4	Very high	97	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.3	-36.1	-178.1	-63.2	0	0	0	0	112.7	L303 Y313 T376 D377 L384 K385 I386 A389	L303-V380 HydrophobicContact CD1-CG1 3.83Å; L303-V380 HydrophobicContact CD2-CG1 4.16Å; Y313-V380 HydrophobicContact CD1-CG2 3.65Å; Y313-V380 HydrophobicContact CD2-CB 4.5Å; Y313-V380 HydrophobicContact CD2-CG1 3.89Å; Y313-V380 HydrophobicContact CD2-CG2 4.29Å; Y313-V380 HydrophobicContact CE1-CG2 4.07Å; Y313-V380 HydrophobicContact CE2-CG1 3.94Å; Y313-V380 HydrophobicContact CG-CB 4.39Å; Y313-V380 HydrophobicContact CG-CG1 4.24Å; Y313-V380 HydrophobicContact CG-CG2 3.78Å; T376-V380 WeakPolarHBondContact O-CG2 3.34Å; T376-V380 PolarHBondContact O-N 3.31Å; D377-V380 VanDerWaalsContact O-CG2 3.22Å; D377-V380 WeakPolarHBondContact O-CG2 3.38Å; V380-L384 HydrophobicContact CG1-CD1 4.42Å; V380-L384 CarbonylContact O-C 3.5Å; V380-L384 WeakPolarHBondContact O-CB 3.35Å; V380-K385 PolarHBondContact O-N 2.72Å; V380-I386 HydrophobicContact CB-CB 4.41Å; V380-I386 HydrophobicContact CB-CD1 3.84Å; V380-I386 HydrophobicContact CG1-CD1 4.15Å; V380-I386 PolarHBondContact O-N 3.41Å; V380-A389 HydrophobicContact CG2-CB 3.69Å
381	A	98	Very high	97.5	Very high	14 Å²	14	22.2 Å²	22.2	12%	0.116	11%	0.109	C	C	.	.	H	α-helix	trans	-79.1	-40.9	177.8	0	0	0	0	0	112.1	P326 F327 D377 Y379 K385 A389	P326-A381 HydrophobicContact CB-CB 4Å; P326-A381 HydrophobicContact CG-CB 3.54Å; F327-A381 HydrophobicContact CE1-CB 4.26Å; D377-A381 WeakPolarHBondContact O-CB 3.36Å; D377-A381 PolarHBondContact O-N 2.88Å; D377-A381 VanDerWaalsContact O-N 3.08Å; Y379-A381 PolarHBondContact O-N 3Å; A381-K385 WeakPolarHBondContact O-CA 3.33Å; A381-A389 HydrophobicContact CB-CB 4.3Å
382	G	97.4	Very high	97.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-81.3	-47.7	-172.6	0	0	0	0	0	113.6	D378 K385	D378-G382 VanDerWaalsContact O-CA 3.27Å; D378-G382 WeakPolarHBondContact O-CA 3.24Å; D378-G382 PolarHBondContact O-N 2.86Å; G382-K385 WeakPolarHBondContact O-CD 3.37Å; G382-K385 WeakPolarHBondContact O-CE 3.35Å; G382-K385 PolarHBondContact O-NZ 2.73Å
383	E	97.4	Very high	97.9	Very high	110 Å²	110	19.7 Å²	19.7	51%	0.514	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-56.4	-178.1	-167.9	65.5	-157.6	0	0	110.7	F268 Y379 K385	F268-E383 HydrophobicContact CB-CB 4.45Å; F268-E383 HydrophobicContact CD2-CB 4.24Å; Y379-E383 HydrophobicContact CD2-CB 3.75Å; Y379-E383 HydrophobicContact CD2-CG 4.27Å; Y379-E383 HydrophobicContact CE2-CB 3.7Å; Y379-E383 HydrophobicContact CE2-CG 3.73Å; Y379-E383 WeakPolarHBondContact O-CA 3.34Å; Y379-E383 VanDerWaalsContact O-CB 3.26Å; Y379-E383 WeakPolarHBondContact O-CB 3.47Å; Y379-E383 PolarHBondContact O-N 2.68Å; E383-K385 VanDerWaalsContact C-N 3.27Å; E383-K385 PolarHBondContact O-N 2.77Å
384	L	98	Very high	97.9	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.042	10%	0.096	C	C	.	.	S	Bend	trans	-79.5	-9.5	-173.3	-58	-172.1	0	0	0	114	L303 N304 Q307 Y379 V380 I386	L303-L384 HydrophobicContact CB-CD1 3.61Å; L303-L384 HydrophobicContact CD1-CD1 4.25Å; L303-L384 HydrophobicContact CG-CD1 4.4Å; N304-L384 WeakPolarHBondContact OD1-CD2 3.35Å; Q307-L384 HydrophobicContact CG-CB 4.14Å; Q307-L384 PolarHBondContact NE2-O 2.89Å; Y379-L384 HydrophobicContact CD1-CD1 4.37Å; Y379-L384 HydrophobicContact CD1-CG 4.46Å; Y379-L384 HydrophobicContact CE1-CD1 3.71Å; Y379-L384 HydrophobicContact CE1-CD2 4.34Å; Y379-L384 HydrophobicContact CE1-CG 3.86Å; Y379-L384 PolarHBondContact O-N 3.44Å; V380-L384 HydrophobicContact CG1-CD1 4.42Å; V380-L384 CarbonylContact O-C 3.5Å; V380-L384 WeakPolarHBondContact O-CB 3.35Å; L384-I386 HydrophobicContact CB-CD1 4.27Å; L384-I386 HydrophobicContact CB-CG1 4.28Å; L384-I386 HydrophobicContact CD1-CD1 4.37Å; L384-I386 PolarHBondContact O-N 3.21Å
385	K	97.4	Very high	97.7	Very high	148 Å²	148	19.9 Å²	19.9	64%	0.643	10%	0.097	S	C	*	.			trans	55.4	32.2	179.9	-49.3	-55.9	-174.8	-175.3	0	113.5	V380 A381 G382 E383	V380-K385 PolarHBondContact O-N 2.72Å; A381-K385 WeakPolarHBondContact O-CA 3.33Å; G382-K385 WeakPolarHBondContact O-CD 3.37Å; G382-K385 WeakPolarHBondContact O-CE 3.35Å; G382-K385 PolarHBondContact O-NZ 2.73Å; E383-K385 VanDerWaalsContact C-N 3.27Å; E383-K385 PolarHBondContact O-N 2.77Å
386	I	97.6	Very high	97.4	Very high	6 Å²	6	20.7 Å²	20.7	3%	0.031	10%	0.101	C	C	.	.			trans	-63.7	125.5	173.5	-72	166.1	0	0	0	108.2	I310 V380 L384 Y388	I310-I386 HydrophobicContact CB-CD1 3.93Å; I310-I386 HydrophobicContact CB-CG1 4.17Å; I310-I386 HydrophobicContact CD1-CD1 4.06Å; I310-I386 HydrophobicContact CG2-CD1 3.66Å; I310-I386 HydrophobicContact CG2-CG1 4.04Å; I310-I386 HydrophobicContact CG2-CG2 3.84Å; V380-I386 HydrophobicContact CB-CB 4.41Å; V380-I386 HydrophobicContact CB-CD1 3.84Å; V380-I386 HydrophobicContact CG1-CD1 4.15Å; V380-I386 PolarHBondContact O-N 3.41Å; L384-I386 HydrophobicContact CB-CD1 4.27Å; L384-I386 HydrophobicContact CB-CG1 4.28Å; L384-I386 HydrophobicContact CD1-CD1 4.37Å; L384-I386 PolarHBondContact O-N 3.21Å; I386-Y388 PolarHBondContact O-N 2.7Å
387	P	94.6	Very high	97	Very high	40 Å²	40	26.2 Å²	26.2	26%	0.26	13%	0.127	S	C	.	.	S	Bend	trans	-63.8	-39.6	-167.3	-29.4	39.1	0	0	0	114.6	I311	I311-P387 HydrophobicContact CD1-CB 4.3Å; I311-P387 HydrophobicContact CD1-CG 3.89Å
388	Y	97.8	Very high	96.6	Very high	40 Å²	40	26.1 Å²	26.1	16%	0.157	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.9	-177.8	-50.5	-58.9	0	0	0	110.6	I311 L312 Y313 K340 L341 M344 I386 I427	I311-Y388 HydrophobicContact CD1-CE2 4.34Å; I311-Y388 HydrophobicContact CG1-CD2 4.29Å; I311-Y388 HydrophobicContact CG1-CE2 4.36Å; I311-Y388 VanDerWaalsContact O-CD2 3.29Å; I311-Y388 WeakPolarHBondContact O-CD2 3.4Å; I311-Y388 PolarHBondContact O-N 3.17Å; L312-Y388 CarbonylContact C-O 3.58Å; L312-Y388 VanDerWaalsContact CA-O 3.3Å; L312-Y388 WeakPolarHBondContact CA-O 3.36Å; Y313-Y388 PolarHBondContact N-O 3.47Å; K340-Y388 HydrophobicContact CG-CE1 3.65Å; L341-Y388 HydrophobicContact CD2-CD1 3.88Å; M344-Y388 HydrophobicContact CE-CD1 4.39Å; M344-Y388 HydrophobicContact CE-CG 4.32Å; M344-Y388 HydrophobicContact SD-CD1 3.83Å; M344-Y388 HydrophobicContact SD-CE1 3.76Å; M344-Y388 HydrophobicContact SD-CG 4.35Å; I386-Y388 PolarHBondContact O-N 2.7Å; Y388-I427 HydrophobicContact CD2-CD1 3.65Å; Y388-I427 HydrophobicContact CD2-CG1 3.72Å; Y388-I427 HydrophobicContact CE2-CD1 4.13Å; Y388-I427 HydrophobicContact CE2-CG1 3.67Å; Y388-I427 HydrophobicContact CE2-CG2 4.41Å; Y388-I427 HydrophobicContact CG-CD1 4.44Å
389	A	98.3	Very high	96.3	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.017	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.9	177.8	0	0	0	0	0	109.9	Y313 P326 V380 A381	Y313-A389 HydrophobicContact CD1-CB 4.34Å; Y313-A389 WeakPolarHBondContact O-CA 3.45Å; P326-A389 VanDerWaalsContact CD-O 3.25Å; P326-A389 WeakPolarHBondContact CD-O 3.32Å; P326-A389 HydrophobicContact CG-CB 4.24Å; V380-A389 HydrophobicContact CG2-CB 3.69Å; A381-A389 HydrophobicContact CB-CB 4.3Å
390	Y	98.7	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.5	174.4	-59.8	-91.2	0	0	0	111.8	L312 Y313 L314 S315 I323 L324 T325 L341 M344 L423	L312-Y390 HydrophobicContact CD1-CD2 4.05Å; L312-Y390 HydrophobicContact CD1-CE2 4.15Å; Y313-Y390 PolarHBondContact O-N 3.01Å; L314-Y390 WeakPolarHBondContact CA-O 3.35Å; L314-Y390 HydrophobicContact CD2-CD2 3.98Å; L314-Y390 HydrophobicContact CD2-CG 4.42Å; S315-Y390 PolarHBondContact N-O 3.1Å; I323-Y390 HydrophobicContact CG2-CD1 3.62Å; I323-Y390 HydrophobicContact CG2-CE1 4.07Å; I323-Y390 HydrophobicContact CG2-CG 4.31Å; L324-Y390 WeakPolarHBondContact O-CA 3.46Å; T325-Y390 HydrophobicContact CG2-CD1 3.95Å; T325-Y390 HydrophobicContact CG2-CE1 3.71Å; L341-Y390 WeakPolarHBondContact CA-OH 3.37Å; L341-Y390 HydrophobicContact CB-CE1 4.19Å; L341-Y390 HydrophobicContact CD2-CE1 4.25Å; L341-Y390 HydrophobicContact CD2-CE2 3.87Å; L341-Y390 PolarHBondContact O-OH 3.12Å; M344-Y390 WeakPolarHBondContact CB-OH 3.44Å; Y390-L423 HydrophobicContact CD2-CD1 4.39Å; Y390-L423 HydrophobicContact CE2-CD1 4.44Å; Y390-L423 HydrophobicContact CE2-CD2 3.94Å
391	T	98.7	Very high	95.9	Very high	5 Å²	5	37 Å²	37	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.2	159.2	-67	0	0	0	0	108.5	S315 H317 L324 D377	S315-T391 CarbonylContact O-C 3.59Å; S315-T391 WeakPolarHBondContact O-CA 3.45Å; H317-T391 HydrophobicContact CB-CG2 4.33Å; L324-T391 WeakPolarHBondContact CB-O 3.34Å; L324-T391 HydrophobicContact CD1-CG2 4.06Å; L324-T391 PolarHBondContact N-O 3.45Å; L324-T391 PolarHBondContact O-N 2.95Å; D377-T391 VanDerWaalsContact CG-OG1 3.27Å; D377-T391 WeakPolarHBondContact OD2-CB 3.15Å; D377-T391 PolarHBondContact OD2-OG1 3.2Å
392	I	98.6	Very high	95.9	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	110.8	179.5	-58.7	178.6	0	0	0	109.3	L314 S315 L316 H317 Y322 Y360 L394 L416	L314-I392 HydrophobicContact CD2-CD1 4.18Å; S315-I392 PolarHBondContact O-N 3.27Å; L316-I392 HydrophobicContact CD2-CB 4.21Å; L316-I392 HydrophobicContact CD2-CD1 4.39Å; H317-I392 CarbonylContact C-O 3.58Å; H317-I392 PolarHBondContact N-O 3.34Å; H317-I392 VanDerWaalsContact O-O 3.08Å; Y322-I392 CarbonylContact O-C 3.55Å; Y322-I392 WeakPolarHBondContact O-CA 3.43Å; Y360-I392 HydrophobicContact CE1-CG2 4.33Å; I392-L394 HydrophobicContact CG2-CD2 3.96Å; I392-L394 PolarHBondContact O-N 2.95Å; I392-L416 HydrophobicContact CD1-CD1 3.69Å
393	E	97.9	Very high	95.9	Very high	17 Å²	17	37.3 Å²	37.3	8%	0.079	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	103.4	167.7	-65.4	-65.7	166.8	0	0	108.7	H317 S318 F319 Q321 Y322 L324 Y360 L369	H317-E393 WeakPolarHBondContact CB-OE2 3.42Å; S318-E393 VanDerWaalsContact CA-OE2 3.27Å; S318-E393 WeakPolarHBondContact CA-OE2 3.42Å; S318-E393 PolarHBondContact N-OE2 3.41Å; F319-E393 PolarHBondContact N-OE2 2.79Å; Q321-E393 CarbonylContact C-O 3.51Å; Q321-E393 WeakPolarHBondContact CA-O 3.35Å; Q321-E393 PolarHBondContact N-O 3.5Å; Y322-E393 HydrophobicContact CD2-CB 4.15Å; Y322-E393 HydrophobicContact CD2-CG 4.37Å; Y322-E393 PolarHBondContact N-O 2.87Å; Y322-E393 VanDerWaalsContact N-O 3.08Å; Y322-E393 PolarHBondContact O-N 3.28Å; L324-E393 HydrophobicContact CD1-CG 4.12Å; Y360-E393 WeakPolarHBondContact CE1-O 3.45Å; L369-E393 HydrophobicContact CD1-CG 4.47Å
394	L	98.4	Very high	95.9	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	173.9	-179.8	-62.2	172.3	0	0	0	111.7	I198 A199 T202 L316 H317 F319 G320 Q321 I392 V412	I198-L394 HydrophobicContact CG1-CD1 4.44Å; I198-L394 HydrophobicContact CG2-CB 4.29Å; I198-L394 HydrophobicContact CG2-CD1 4.27Å; A199-L394 HydrophobicContact CB-CD1 4.24Å; T202-L394 HydrophobicContact CG2-CD1 4.24Å; T202-L394 HydrophobicContact CG2-CD2 4.46Å; L316-L394 HydrophobicContact CB-CD1 4.46Å; H317-L394 VanDerWaalsContact O-CB 3.3Å; H317-L394 WeakPolarHBondContact O-CB 3.22Å; H317-L394 VanDerWaalsContact O-CG 3.23Å; H317-L394 WeakPolarHBondContact O-CG 3.49Å; H317-L394 PolarHBondContact O-N 3.35Å; F319-L394 WeakPolarHBondContact CA-O 3.43Å; G320-L394 PolarHBondContact N-O 3.07Å; Q321-L394 PolarHBondContact N-O 3.03Å; I392-L394 HydrophobicContact CG2-CD2 3.96Å; I392-L394 PolarHBondContact O-N 2.95Å; L394-V412 HydrophobicContact CB-CG1 4.04Å; L394-V412 HydrophobicContact CD1-CG1 4.12Å; L394-V412 HydrophobicContact CD2-CG1 3.88Å; L394-V412 HydrophobicContact CG-CG1 4.24Å
395	C	93.8	Very high	95.8	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	15%	0.146	C	C	.	.	S	Bend	trans	-58.2	154.3	175.1	-62.6	0	0	0	0	111.9	Y358 Y360 V412 Q415	Y358-C395 WeakPolarHBondContact CD1-SG 3.43Å; Y360-C395 PolarHBondContact OH-SG 3.26Å; C395-V412 HydrophobicContact CB-CG2 3.92Å; C395-Q415 PolarHBondContact SG-NE2 3.16Å; C395-Q415 PolarHBondContact SG-OE1 2.59Å; C395-Q415 VanDerWaalsContact SG-OE1 3.34Å
396	D	92.6	Very high	95.8	Very high	17 Å²	17	25.5 Å²	25.5	9%	0.091	12%	0.116	C	C	.	.			cis	-104.7	-159.3	4.1	72.4	-19.4	0	0	0	113.3	G320 G398 R399 Y400 G401 L404	G320-D396 VanDerWaalsContact CA-O 3.23Å; G320-D396 WeakPolarHBondContact CA-O 3.3Å; G320-D396 PolarHBondContact N-O 2.89Å; D396-G398 VanDerWaalsContact C-N 3.3Å; D396-G398 PolarHBondContact OD1-N 3.42Å; D396-R399 WeakPolarHBondContact OD2-CA 3.48Å; D396-R399 WeakPolarHBondContact OD2-CB 3.3Å; D396-R399 PolarHBondContact OD2-N 3.4Å; D396-Y400 WeakPolarHBondContact OD2-CD2 3.41Å; D396-Y400 PolarHBondContact OD2-N 2.86Å; D396-G401 PolarHBondContact OD1-N 3.09Å; D396-G401 VanDerWaalsContact OD1-N 3.07Å; D396-L404 HydrophobicContact CB-CD1 4.05Å
397	E	89.4	Confident	95.7	Very high	117 Å²	117	27.7 Å²	27.7	55%	0.547	13%	0.132	S	C	.	.	S	Bend	trans	-89.2	10.1	176.7	-64.2	176	83	0	0	113.2	Q321	Q321-E397 HydrophobicContact CG-CG 4.34Å; Q321-E397 PolarHBondContact NE2-OE2 3.26Å
398	G	89.2	Confident	95.9	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.031	13%	0.129	C	C	.	.	S	Bend	trans	108.5	9.4	177.4	0	0	0	0	0	115.9	Y80 D396 Y400	Y80-G398 WeakPolarHBondContact CE1-O 3.43Å; D396-G398 VanDerWaalsContact C-N 3.3Å; D396-G398 PolarHBondContact OD1-N 3.42Å; G398-Y400 VanDerWaalsContact C-N 3.33Å
399	R	90.7	Very high	95.9	Very high	178 Å²	178	26.8 Å²	26.8	67%	0.672	12%	0.123	S	C	*	.	S	Bend	trans	-65.9	-41.4	170.1	168.2	-175.1	-177.7	179	4	110.3	D396	D396-R399 WeakPolarHBondContact OD2-CA 3.48Å; D396-R399 WeakPolarHBondContact OD2-CB 3.3Å; D396-R399 PolarHBondContact OD2-N 3.4Å
400	Y	94.6	Very high	95.8	Very high	62 Å²	62	27.8 Å²	27.8	24%	0.243	13%	0.134	C	C	.	.	S	Bend	trans	-107.6	-28.1	174	-60	-77.2	0	0	0	112.3	D396 G398 F402 L403 L404 P405 Y408	D396-Y400 WeakPolarHBondContact OD2-CD2 3.41Å; D396-Y400 PolarHBondContact OD2-N 2.86Å; G398-Y400 VanDerWaalsContact C-N 3.33Å; Y400-F402 PolarHBondContact O-N 2.69Å; Y400-L403 PolarHBondContact O-N 2.78Å; Y400-L404 HydrophobicContact CD2-CD1 3.81Å; Y400-L404 HydrophobicContact CG-CD1 4.25Å; Y400-P405 HydrophobicContact CD1-CG 3.83Å; Y400-P405 HydrophobicContact CE1-CG 3.66Å; Y400-P405 HydrophobicContact CE2-CG 4.46Å; Y400-P405 HydrophobicContact CG-CG 4.31Å; Y400-Y408 AromaticContact CE2-CE2 3.91Å; Y400-Y408 HydrophobicContact CE2-CE2 3.91Å; Y400-Y408 AromaticContact CE2-CZ 3.99Å
401	G	94.8	Very high	95.7	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	58.6	-125.2	-177.5	0	0	0	0	0	110.9	F319 D396 L403	F319-G401 VanDerWaalsContact CD1-C 3.47Å; F319-G401 VanDerWaalsContact CE1-CA 3.43Å; D396-G401 PolarHBondContact OD1-N 3.09Å; D396-G401 VanDerWaalsContact OD1-N 3.07Å; G401-L403 PolarHBondContact O-N 2.66Å
402	F	97.1	Very high	95.6	Very high	10 Å²	10	30.1 Å²	30.1	4%	0.044	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-72.3	-8.7	178.5	-55.8	-59	0	0	0	114.6	W69 R195 E196 R243 L244 S318 F319 Y400	W69-F402 HydrophobicContact CB-CD2 4.27Å; W69-F402 HydrophobicContact CB-CE2 3.62Å; W69-F402 HydrophobicContact CB-CZ 4.39Å; W69-F402 AromaticContact CD1-CE2 3.88Å; W69-F402 AromaticContact CD2-CD2 3.72Å; W69-F402 HydrophobicContact CD2-CD2 3.72Å; W69-F402 AromaticContact CD2-CE2 3.97Å; W69-F402 HydrophobicContact CD2-CE2 3.97Å; W69-F402 HydrophobicContact CE3-CD2 4.05Å; W69-F402 AromaticContact CG-CD2 3.81Å; W69-F402 HydrophobicContact CG-CD2 3.81Å; W69-F402 AromaticContact CG-CE2 3.54Å; W69-F402 HydrophobicContact CG-CE2 3.54Å; R195-F402 HydrophobicContact CB-CG 4.5Å; R195-F402 HydrophobicContact CG-CD1 3.95Å; R195-F402 HydrophobicContact CG-CD2 4.34Å; R195-F402 HydrophobicContact CG-CE1 4.14Å; R195-F402 HydrophobicContact CG-CG 4.06Å; R195-F402 HydrophobicContact CG-CZ 4.45Å; R195-F402 VanDerWaalsContact CZ-CE2 3.46Å; R195-F402 VanDerWaalsContact NE-CE2 3.3Å; R195-F402 VanDerWaalsContact NE-CZ 3.31Å; E196-F402 HydrophobicContact CG-CD1 3.95Å; E196-F402 HydrophobicContact CG-CE1 3.96Å; R243-F402 PolarHBondContact NH2-O 2.82Å; L244-F402 HydrophobicContact CD2-CB 4.18Å; S318-F402 WeakPolarHBondContact O-CE1 3.3Å; F319-F402 AromaticContact CD1-CD1 3.98Å; F319-F402 HydrophobicContact CD1-CD1 3.98Å; F319-F402 AromaticContact CD1-CE1 3.9Å; F319-F402 HydrophobicContact CD1-CE1 3.9Å; F319-F402 HydrophobicContact CD1-CG 4.44Å; F319-F402 HydrophobicContact CD1-CZ 4.28Å; F319-F402 HydrophobicContact CE1-CD1 4.28Å; F319-F402 HydrophobicContact CE1-CD2 4.38Å; F319-F402 HydrophobicContact CE1-CE1 4.06Å; F319-F402 HydrophobicContact CE1-CE2 4.15Å; F319-F402 HydrophobicContact CE1-CG 4.44Å; F319-F402 AromaticContact CE1-CZ 3.96Å; F319-F402 HydrophobicContact CE1-CZ 3.96Å; Y400-F402 PolarHBondContact O-N 2.69Å
403	L	97.4	Very high	95.6	Very high	10 Å²	10	29.9 Å²	29.9	5%	0.052	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-103.2	33	-178.2	-57.9	-179.1	0	0	0	112.8	W69 L109 A112 I113 E116 R243 L244 Y400 G401 P405	W69-L403 HydrophobicContact CH2-CD1 4.27Å; W69-L403 HydrophobicContact CH2-CG 4.35Å; L109-L403 HydrophobicContact CD1-CD1 3.59Å; A112-L403 HydrophobicContact CB-CD1 3.94Å; I113-L403 HydrophobicContact CG1-CD1 3.75Å; I113-L403 HydrophobicContact CG1-CD2 3.93Å; E116-L403 WeakPolarHBondContact OE1-CA 3.35Å; R243-L403 HydrophobicContact CG-CD2 3.93Å; L244-L403 HydrophobicContact CD2-CD2 4.17Å; Y400-L403 PolarHBondContact O-N 2.78Å; G401-L403 PolarHBondContact O-N 2.66Å; L403-P405 WeakPolarHBondContact O-CD 3.34Å
404	L	97.4	Very high	95.6	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	16%	0.161	C	C	.	.			trans	-57.1	126.3	-179	-168.2	72	0	0	0	110.3	Y138 I198 D396 Y400 Y408 V412	Y138-L404 WeakPolarHBondContact CE2-O 3.22Å; Y138-L404 PolarHBondContact OH-O 2.72Å; I198-L404 HydrophobicContact CB-CD2 4.18Å; I198-L404 HydrophobicContact CD1-CD2 3.97Å; I198-L404 HydrophobicContact CG1-CD2 3.77Å; D396-L404 HydrophobicContact CB-CD1 4.05Å; Y400-L404 HydrophobicContact CD2-CD1 3.81Å; Y400-L404 HydrophobicContact CG-CD1 4.25Å; L404-Y408 HydrophobicContact CD1-CD1 4.47Å; L404-Y408 HydrophobicContact CD1-CD2 4.07Å; L404-Y408 HydrophobicContact CD1-CG 4.03Å; L404-Y408 HydrophobicContact CD2-CG 4.39Å; L404-Y408 HydrophobicContact CG-CD2 4.25Å; L404-Y408 HydrophobicContact CG-CG 4.15Å; L404-V412 HydrophobicContact CD2-CG2 4.12Å
405	P	97.4	Very high	95.6	Very high	15 Å²	15	34.8 Å²	34.8	10%	0.097	16%	0.161	C	C	.	.			trans	-64.3	145.4	-177.2	-25.4	34.1	0	0	0	112.9	E119 Y400 L403 S407 Y408	E119-P405 WeakPolarHBondContact OE2-CB 3.44Å; Y400-P405 HydrophobicContact CD1-CG 3.83Å; Y400-P405 HydrophobicContact CE1-CG 3.66Å; Y400-P405 HydrophobicContact CE2-CG 4.46Å; Y400-P405 HydrophobicContact CG-CG 4.31Å; L403-P405 WeakPolarHBondContact O-CD 3.34Å; P405-S407 PolarHBondContact O-N 3.39Å; P405-Y408 HydrophobicContact CB-CD2 4.06Å; P405-Y408 HydrophobicContact CB-CE2 4.35Å; P405-Y408 HydrophobicContact CG-CD2 4.21Å; P405-Y408 HydrophobicContact CG-CE2 4.13Å; P405-Y408 WeakPolarHBondContact O-CB 3.31Å; P405-Y408 PolarHBondContact O-N 2.88Å
406	P	97.2	Very high	95.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-61.8	-17.6	-178.5	23.7	-34.1	0	0	0	113.9	E119 N120 Y138 Y408 I409	E119-P406 HydrophobicContact CB-CG 4.12Å; E119-P406 HydrophobicContact CG-CG 3.84Å; N120-P406 HydrophobicContact CB-CG 4.17Å; Y138-P406 HydrophobicContact CD2-CB 3.91Å; Y138-P406 HydrophobicContact CD2-CG 4.5Å; Y138-P406 HydrophobicContact CE2-CB 3.82Å; Y138-P406 HydrophobicContact CE2-CG 4.41Å; P406-Y408 PolarHBondContact O-N 3.09Å; P406-I409 HydrophobicContact CB-CD1 3.88Å; P406-I409 WeakPolarHBondContact O-CB 3.18Å; P406-I409 WeakPolarHBondContact O-CD1 3.49Å; P406-I409 WeakPolarHBondContact O-CG1 3.39Å; P406-I409 PolarHBondContact O-N 3.27Å
407	S	95.9	Very high	96.1	Very high	53 Å²	53	35.5 Å²	35.5	37%	0.371	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-54.6	-31.2	168.7	49.5	0	0	0	0	113.8	E119 P405	E119-S407 VanDerWaalsContact OE1-CB 3.3Å; E119-S407 WeakPolarHBondContact OE1-CB 3.12Å; E119-S407 PolarHBondContact OE1-N 2.83Å; E119-S407 PolarHBondContact OE1-OG 3.33Å; P405-S407 PolarHBondContact O-N 3.39Å
408	Y	97.2	Very high	96.6	Very high	54 Å²	54	30.2 Å²	30.2	21%	0.212	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-79.6	-17.9	-178.1	-73.7	-91.9	0	0	0	113.9	Y400 L404 P405 P406 G410 Q411 V412	Y400-Y408 AromaticContact CE2-CE2 3.91Å; Y400-Y408 HydrophobicContact CE2-CE2 3.91Å; Y400-Y408 AromaticContact CE2-CZ 3.99Å; L404-Y408 HydrophobicContact CD1-CD1 4.47Å; L404-Y408 HydrophobicContact CD1-CD2 4.07Å; L404-Y408 HydrophobicContact CD1-CG 4.03Å; L404-Y408 HydrophobicContact CD2-CG 4.39Å; L404-Y408 HydrophobicContact CG-CD2 4.25Å; L404-Y408 HydrophobicContact CG-CG 4.15Å; P405-Y408 HydrophobicContact CB-CD2 4.06Å; P405-Y408 HydrophobicContact CB-CE2 4.35Å; P405-Y408 HydrophobicContact CG-CD2 4.21Å; P405-Y408 HydrophobicContact CG-CE2 4.13Å; P405-Y408 WeakPolarHBondContact O-CB 3.31Å; P405-Y408 PolarHBondContact O-N 2.88Å; P406-Y408 PolarHBondContact O-N 3.09Å; Y408-G410 PolarHBondContact O-N 2.93Å; Y408-G410 VanDerWaalsContact O-N 3.09Å; Y408-Q411 WeakPolarHBondContact O-CA 3.24Å; Y408-Q411 WeakPolarHBondContact O-CB 3.48Å; Y408-Q411 PolarHBondContact O-N 2.93Å; Y408-V412 WeakPolarHBondContact O-CG2 3.17Å; Y408-V412 PolarHBondContact O-N 3.46Å
409	I	97.9	Very high	97	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-50.4	-44.1	-176.7	-65.3	166.8	0	0	0	111.7	P136 Y138 I198 A201 P406 Q411 G413	P136-I409 HydrophobicContact CB-CB 3.85Å; P136-I409 HydrophobicContact CB-CD1 4.23Å; P136-I409 HydrophobicContact CB-CG2 3.65Å; P136-I409 HydrophobicContact CG-CB 4Å; P136-I409 HydrophobicContact CG-CG2 4.22Å; Y138-I409 HydrophobicContact CD1-CD1 3.83Å; Y138-I409 HydrophobicContact CD1-CG1 4.4Å; Y138-I409 HydrophobicContact CE1-CD1 3.66Å; Y138-I409 HydrophobicContact CE1-CG1 3.75Å; Y138-I409 HydrophobicContact CE2-CD1 4.4Å; Y138-I409 HydrophobicContact CG-CD1 4.24Å; I198-I409 HydrophobicContact CD1-CB 4.38Å; I198-I409 HydrophobicContact CD1-CG1 3.9Å; A201-I409 HydrophobicContact CB-CD1 4.01Å; A201-I409 HydrophobicContact CB-CG1 3.97Å; A201-I409 HydrophobicContact CB-CG2 3.93Å; P406-I409 HydrophobicContact CB-CD1 3.88Å; P406-I409 WeakPolarHBondContact O-CB 3.18Å; P406-I409 WeakPolarHBondContact O-CD1 3.49Å; P406-I409 WeakPolarHBondContact O-CG1 3.39Å; P406-I409 PolarHBondContact O-N 3.27Å; I409-Q411 VanDerWaalsContact C-N 3.31Å; I409-Q411 PolarHBondContact O-N 3.19Å; I409-G413 PolarHBondContact O-N 3.04Å
410	G	95.9	Very high	97.4	Very high	23 Å²	23	21.8 Å²	21.8	24%	0.237	11%	0.106	C	C	.	.	H	α-helix	trans	-64.8	-34.7	-179.5	0	0	0	0	0	113.3	Y408 R414	Y408-G410 PolarHBondContact O-N 2.93Å; Y408-G410 VanDerWaalsContact O-N 3.09Å; G410-R414 VanDerWaalsContact C-NH1 3.33Å; G410-R414 WeakPolarHBondContact O-CG 3.35Å; G410-R414 PolarHBondContact O-N 2.95Å; G410-R414 PolarHBondContact O-NH1 3.35Å
411	Q	96.8	Very high	97.5	Very high	54 Å²	54	19.8 Å²	19.8	25%	0.252	10%	0.101	S	C	.	.	H	α-helix	trans	-77.6	-46.6	179.4	-174.2	174.7	27.7	0	0	111.3	Y358 Y408 I409 G413 R414 Q415	Y358-Q411 HydrophobicContact CE2-CG 4.15Å; Y358-Q411 PolarHBondContact OH-NE2 2.87Å; Y358-Q411 PolarHBondContact OH-OE1 3.43Å; Y408-Q411 WeakPolarHBondContact O-CA 3.24Å; Y408-Q411 WeakPolarHBondContact O-CB 3.48Å; Y408-Q411 PolarHBondContact O-N 2.93Å; I409-Q411 VanDerWaalsContact C-N 3.31Å; I409-Q411 PolarHBondContact O-N 3.19Å; Q411-G413 VanDerWaalsContact C-N 3.3Å; Q411-G413 PolarHBondContact O-N 3.1Å; Q411-R414 WeakPolarHBondContact O-CB 3.42Å; Q411-R414 PolarHBondContact O-N 3.48Å; Q411-Q415 WeakPolarHBondContact O-CG 3.15Å; Q411-Q415 PolarHBondContact O-N 3.39Å; Q411-Q415 VanDerWaalsContact O-N 3.08Å
412	V	98.2	Very high	97.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.7	-40.9	176.9	-177.9	0	0	0	0	110.9	I198 T202 L394 C395 L404 Y408 R414 Q415 L416	I198-V412 HydrophobicContact CD1-CB 3.98Å; I198-V412 HydrophobicContact CD1-CG1 4.22Å; I198-V412 HydrophobicContact CD1-CG2 4.02Å; I198-V412 HydrophobicContact CG1-CB 4.14Å; I198-V412 HydrophobicContact CG1-CG1 3.87Å; I198-V412 HydrophobicContact CG1-CG2 4.1Å; T202-V412 HydrophobicContact CG2-CG1 4.12Å; T202-V412 WeakPolarHBondContact OG1-CG1 3.42Å; L394-V412 HydrophobicContact CB-CG1 4.04Å; L394-V412 HydrophobicContact CD1-CG1 4.12Å; L394-V412 HydrophobicContact CD2-CG1 3.88Å; L394-V412 HydrophobicContact CG-CG1 4.24Å; C395-V412 HydrophobicContact CB-CG2 3.92Å; L404-V412 HydrophobicContact CD2-CG2 4.12Å; Y408-V412 WeakPolarHBondContact O-CG2 3.17Å; Y408-V412 PolarHBondContact O-N 3.46Å; V412-R414 VanDerWaalsContact C-N 3.3Å; V412-R414 PolarHBondContact O-N 3.33Å; V412-Q415 WeakPolarHBondContact O-CB 3.34Å; V412-Q415 PolarHBondContact O-N 2.98Å; V412-Q415 VanDerWaalsContact O-N 3.13Å; V412-L416 PolarHBondContact O-N 3.43Å
413	G	98.1	Very high	97.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.7	-35.5	172.8	0	0	0	0	0	114.4	I409 Q411 W417	I409-G413 PolarHBondContact O-N 3.04Å; Q411-G413 VanDerWaalsContact C-N 3.3Å; Q411-G413 PolarHBondContact O-N 3.1Å; G413-W417 WeakPolarHBondContact O-CB 3.46Å; G413-W417 PolarHBondContact O-N 3.19Å
414	R	98	Very high	97.7	Very high	121 Å²	121	19.8 Å²	19.8	46%	0.457	10%	0.101	S	C	.	.	H	α-helix	trans	-72.8	-34.5	175.6	-71.9	-172	-56.2	-90	11.5	112.5	H356 G410 Q411 V412 T418	H356-R414 PolarHBondContact NE2-O 3.39Å; G410-R414 VanDerWaalsContact C-NH1 3.33Å; G410-R414 WeakPolarHBondContact O-CG 3.35Å; G410-R414 PolarHBondContact O-N 2.95Å; G410-R414 PolarHBondContact O-NH1 3.35Å; Q411-R414 WeakPolarHBondContact O-CB 3.42Å; Q411-R414 PolarHBondContact O-N 3.48Å; V412-R414 VanDerWaalsContact C-N 3.3Å; V412-R414 PolarHBondContact O-N 3.33Å; R414-T418 PolarHBondContact O-N 2.05Å; R414-T418 PolarHBondContact O-OG1 3.35Å
415	Q	98.4	Very high	97.7	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-50.6	174.5	-65	179.8	58.5	0	0	110.3	I352 H356 Y358 C395 Q411 V412 W417 T418 A419	I352-Q415 HydrophobicContact CG2-CB 4.4Å; I352-Q415 HydrophobicContact CG2-CG 4.24Å; H356-Q415 HydrophobicContact CB-CG 3.9Å; Y358-Q415 HydrophobicContact CD2-CG 4.48Å; Y358-Q415 VanDerWaalsContact CG-OE1 3.27Å; C395-Q415 PolarHBondContact SG-NE2 3.16Å; C395-Q415 PolarHBondContact SG-OE1 2.59Å; C395-Q415 VanDerWaalsContact SG-OE1 3.34Å; Q411-Q415 WeakPolarHBondContact O-CG 3.15Å; Q411-Q415 PolarHBondContact O-N 3.39Å; Q411-Q415 VanDerWaalsContact O-N 3.08Å; V412-Q415 WeakPolarHBondContact O-CB 3.34Å; V412-Q415 PolarHBondContact O-N 2.98Å; V412-Q415 VanDerWaalsContact O-N 3.13Å; Q415-W417 VanDerWaalsContact C-N 3.32Å; Q415-W417 PolarHBondContact O-N 2.88Å; Q415-T418 VanDerWaalsContact O-CB 3.27Å; Q415-T418 WeakPolarHBondContact O-CB 3.36Å; Q415-T418 PolarHBondContact O-N 3.44Å; Q415-T418 WeakPolarHBondContact O-CA 3.33Å; Q415-A419 PolarHBondContact O-N 3.1Å
416	L	98.4	Very high	97.6	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-37	177.6	-174	66.2	0	0	0	112.2	T202 I206 L316 I392 V412 T418 A419 L420	T202-L416 HydrophobicContact CG2-CB 3.65Å; T202-L416 HydrophobicContact CG2-CD2 3.4Å; T202-L416 HydrophobicContact CG2-CG 4.15Å; I206-L416 HydrophobicContact CD1-CB 4.17Å; I206-L416 HydrophobicContact CD1-CD2 3.98Å; I206-L416 HydrophobicContact CD1-CG 3.92Å; I206-L416 HydrophobicContact CG1-CD2 3.63Å; I206-L416 HydrophobicContact CG1-CG 4.15Å; L316-L416 HydrophobicContact CD1-CD2 3.41Å; L316-L416 VanDerWaalsContact CD1-CD2 3.41Å; L316-L416 HydrophobicContact CD2-CD1 3.71Å; L316-L416 HydrophobicContact CD2-CD2 3.63Å; L316-L416 HydrophobicContact CD2-CG 4.36Å; L316-L416 HydrophobicContact CG-CD2 4.18Å; I392-L416 HydrophobicContact CD1-CD1 3.69Å; V412-L416 PolarHBondContact O-N 3.43Å; L416-T418 PolarHBondContact O-N 3.41Å; L416-A419 VanDerWaalsContact O-N 3.17Å; L416-A419 PolarHBondContact O-N 3.48Å; L416-A419 WeakPolarHBondContact O-CB 3.37Å; L416-A419 HydrophobicContact CD1-CB 4.31Å; L416-L420 WeakPolarHBondContact O-CB 3.46Å; L416-L420 PolarHBondContact O-N 3.1Å
417	W	98.4	Very high	97.5	Very high	31 Å²	31	26.8 Å²	26.8	12%	0.117	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-36.9	172.1	-176.2	-102.3	0	0	0	112.1	I206 K209 L210 L218 G413 Q415 L420 T421	I206-W417 HydrophobicContact CD1-CB 4.2Å; I206-W417 HydrophobicContact CD1-CE3 3.96Å; K209-W417 HydrophobicContact CB-CD2 3.88Å; K209-W417 HydrophobicContact CB-CE3 3.45Å; K209-W417 VanDerWaalsContact CB-CE3 3.45Å; K209-W417 HydrophobicContact CB-CH2 4.12Å; K209-W417 HydrophobicContact CB-CZ2 4.49Å; K209-W417 HydrophobicContact CB-CZ3 3.58Å; K209-W417 HydrophobicContact CG-CD2 4.15Å; K209-W417 HydrophobicContact CG-CE3 4.09Å; K209-W417 HydrophobicContact CG-CG 4.44Å; L210-W417 HydrophobicContact CD2-CH2 4.09Å; L210-W417 HydrophobicContact CD2-CZ3 4.01Å; L210-W417 HydrophobicContact CG-CZ3 4.14Å; L218-W417 HydrophobicContact CD1-CH2 3.63Å; L218-W417 HydrophobicContact CD1-CZ2 4.12Å; L218-W417 HydrophobicContact CD1-CZ3 4.15Å; L218-W417 HydrophobicContact CG-CH2 4.44Å; G413-W417 WeakPolarHBondContact O-CB 3.46Å; G413-W417 PolarHBondContact O-N 3.19Å; Q415-W417 VanDerWaalsContact C-N 3.32Å; Q415-W417 PolarHBondContact O-N 2.88Å; W417-L420 HydrophobicContact CE3-CD2 4.19Å; W417-L420 HydrophobicContact CZ3-CD2 4.02Å; W417-T421 WeakPolarHBondContact O-CB 3.35Å; W417-T421 PolarHBondContact O-OG1 3.04Å; W417-T421 PolarHBondContact O-N 2.91Å; W417-T421 WeakPolarHBondContact O-CG2 3.16Å; W417-T421 VanDerWaalsContact O-CG2 3.32Å; W417-T421 HydrophobicContact CZ2-CG2 3.97Å; W417-T421 HydrophobicContact CD2-CG2 4.31Å
418	T	98.5	Very high	97.3	Very high	5 Å²	5	26 Å²	26	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-66.7	-44.1	174.5	-59.8	0	0	0	0	110.9	M351 I352 H356 R414 Q415 L416 T421 V422	M351-T418 HydrophobicContact CB-CG2 3.87Å; I352-T418 HydrophobicContact CG1-CG2 4.23Å; H356-T418 PolarHBondContact NE2-OG1 2.91Å; R414-T418 PolarHBondContact O-N 2.05Å; R414-T418 PolarHBondContact O-OG1 3.35Å; Q415-T418 VanDerWaalsContact O-CB 3.27Å; Q415-T418 WeakPolarHBondContact O-CB 3.36Å; Q415-T418 PolarHBondContact O-N 3.44Å; Q415-T418 WeakPolarHBondContact O-CA 3.33Å; L416-T418 PolarHBondContact O-N 3.41Å; T418-T421 WeakPolarHBondContact CA-OG1 3.34Å; T418-T421 PolarHBondContact O-N 3.35Å; T418-T421 PolarHBondContact O-OG1 2.86Å; T418-V422 VanDerWaalsContact O-CG2 3.27Å; T418-V422 WeakPolarHBondContact O-CG2 3.06Å; T418-V422 PolarHBondContact O-N 3.06Å
419	A	98.5	Very high	96.3	Very high	3 Å²	3	29 Å²	29	3%	0.025	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-52.5	174.3	0	0	0	0	0	111.9	V348 I352 Q415 L416 T421 V422 L423	V348-A419 HydrophobicContact CG1-CB 3.45Å; V348-A419 VanDerWaalsContact CG1-CB 3.45Å; V348-A419 HydrophobicContact CG2-CB 4.47Å; I352-A419 HydrophobicContact CD1-CB 4.28Å; Q415-A419 PolarHBondContact O-N 3.1Å; L416-A419 VanDerWaalsContact O-N 3.17Å; L416-A419 PolarHBondContact O-N 3.48Å; L416-A419 WeakPolarHBondContact O-CB 3.37Å; L416-A419 HydrophobicContact CD1-CB 4.31Å; A419-T421 VanDerWaalsContact C-N 3.35Å; A419-T421 PolarHBondContact O-N 3.22Å; A419-V422 PolarHBondContact O-N 2.96Å; A419-L423 VanDerWaalsContact O-CG 3.3Å; A419-L423 PolarHBondContact O-N 3.32Å; A419-L423 WeakPolarHBondContact O-CG 3.4Å
420	L	98.5	Very high	94.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-45.4	-178.3	176.2	61.4	0	0	0	112	I186 I188 I206 L218 F224 L314 L416 W417 L423 A424	I186-L420 HydrophobicContact CD1-CD1 4.11Å; I186-L420 HydrophobicContact CG2-CD1 4.01Å; I188-L420 HydrophobicContact CD1-CD1 4.4Å; I188-L420 HydrophobicContact CD1-CD2 4.28Å; I206-L420 HydrophobicContact CG2-CD2 3.83Å; L218-L420 HydrophobicContact CD1-CD2 4.25Å; L218-L420 HydrophobicContact CD1-CG 4.26Å; F224-L420 HydrophobicContact CE1-CD1 3.93Å; F224-L420 HydrophobicContact CE1-CD2 3.78Å; F224-L420 HydrophobicContact CE1-CG 4.33Å; F224-L420 HydrophobicContact CZ-CD2 4.35Å; L314-L420 HydrophobicContact CD1-CD1 4.19Å; L416-L420 WeakPolarHBondContact O-CB 3.46Å; L416-L420 PolarHBondContact O-N 3.1Å; W417-L420 HydrophobicContact CE3-CD2 4.19Å; W417-L420 HydrophobicContact CZ3-CD2 4.02Å; L420-L423 PolarHBondContact O-N 3.49Å; L420-A424 WeakPolarHBondContact O-CB 3.48Å; L420-A424 PolarHBondContact O-N 3.05Å
421	T	97.9	Very high	94.6	Very high	21 Å²	21	41 Å²	41	13%	0.129	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-38.7	179.6	48.5	0	0	0	0	112.5	L218 W417 T418 A419 N425	L218-T421 HydrophobicContact CD1-CG2 4.11Å; W417-T421 WeakPolarHBondContact O-CB 3.35Å; W417-T421 PolarHBondContact O-OG1 3.04Å; W417-T421 PolarHBondContact O-N 2.91Å; W417-T421 WeakPolarHBondContact O-CG2 3.16Å; W417-T421 VanDerWaalsContact O-CG2 3.32Å; W417-T421 HydrophobicContact CZ2-CG2 3.97Å; W417-T421 HydrophobicContact CD2-CG2 4.31Å; T418-T421 WeakPolarHBondContact CA-OG1 3.34Å; T418-T421 PolarHBondContact O-N 3.35Å; T418-T421 PolarHBondContact O-OG1 2.86Å; A419-T421 VanDerWaalsContact C-N 3.35Å; A419-T421 PolarHBondContact O-N 3.22Å; T421-N425 VanDerWaalsContact O-CB 3.3Å; T421-N425 WeakPolarHBondContact O-CB 3Å; T421-N425 PolarHBondContact O-N 2.98Å; T421-N425 PolarHBondContact O-ND2 3.3Å
422	V	98.2	Very high	94.5	Very high	20 Å²	20	40.3 Å²	40.3	12%	0.121	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-48.2	174.9	170.6	0	0	0	0	110.9	K347 V348 M351 T418 A419 N425 D426	K347-V422 HydrophobicContact CB-CG1 3.74Å; V348-V422 HydrophobicContact CG2-CB 4Å; V348-V422 HydrophobicContact CG2-CG1 3.75Å; M351-V422 HydrophobicContact CB-CG2 3.82Å; M351-V422 HydrophobicContact CG-CG2 3.73Å; T418-V422 VanDerWaalsContact O-CG2 3.27Å; T418-V422 WeakPolarHBondContact O-CG2 3.06Å; T418-V422 PolarHBondContact O-N 3.06Å; A419-V422 PolarHBondContact O-N 2.96Å; V422-N425 PolarHBondContact O-N 3.31Å; V422-D426 WeakPolarHBondContact O-CB 3.44Å; V422-D426 PolarHBondContact O-N 3.39Å; V422-D426 VanDerWaalsContact O-N 3.12Å
423	L	98.3	Very high	94.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-47.2	179.2	-65.5	172.7	0	0	0	111.4	L312 L314 M344 V348 Y390 A419 L420 N425 D426 I427	L312-L423 HydrophobicContact CD1-CD1 4.44Å; L312-L423 HydrophobicContact CD2-CB 3.85Å; L312-L423 HydrophobicContact CD2-CD1 4.19Å; L314-L423 HydrophobicContact CD1-CD1 4.36Å; L314-L423 HydrophobicContact CD2-CD1 3.8Å; M344-L423 HydrophobicContact CB-CD2 3.91Å; M344-L423 HydrophobicContact CE-CB 4.37Å; M344-L423 HydrophobicContact CE-CD2 3.86Å; V348-L423 HydrophobicContact CG2-CD1 4.4Å; V348-L423 HydrophobicContact CG2-CD2 3.68Å; V348-L423 HydrophobicContact CG2-CG 3.69Å; Y390-L423 HydrophobicContact CD2-CD1 4.39Å; Y390-L423 HydrophobicContact CE2-CD1 4.44Å; Y390-L423 HydrophobicContact CE2-CD2 3.94Å; A419-L423 VanDerWaalsContact O-CG 3.3Å; A419-L423 PolarHBondContact O-N 3.32Å; A419-L423 WeakPolarHBondContact O-CG 3.4Å; L420-L423 PolarHBondContact O-N 3.49Å; L423-N425 PolarHBondContact O-N 3.26Å; L423-D426 PolarHBondContact O-N 3.27Å; L423-I427 WeakPolarHBondContact O-CD1 3.41Å; L423-I427 PolarHBondContact O-N 3.05Å; L423-I427 WeakPolarHBondContact O-CG1 3.29Å; L423-I427 VanDerWaalsContact O-CG1 3.23Å
424	A	97.4	Very high	94.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-45.7	179.7	0	0	0	0	0	111.9	I186 L218 F222 L420 D426 I427 I428	I186-A424 HydrophobicContact CD1-CB 4.15Å; L218-A424 HydrophobicContact CD2-CB 3.81Å; F222-A424 HydrophobicContact CD2-CB 4.26Å; F222-A424 HydrophobicContact CE2-CB 3.78Å; F222-A424 HydrophobicContact CZ-CB 4.48Å; L420-A424 WeakPolarHBondContact O-CB 3.48Å; L420-A424 PolarHBondContact O-N 3.05Å; A424-D426 VanDerWaalsContact C-N 3.28Å; A424-D426 PolarHBondContact O-N 3.23Å; A424-I427 PolarHBondContact O-N 3.13Å; A424-I427 VanDerWaalsContact O-N 3.09Å; A424-I428 WeakPolarHBondContact O-CG1 3.45Å; A424-I428 PolarHBondContact O-N 3.21Å; A424-I428 VanDerWaalsContact O-N 3.1Å
425	N	96	Very high	93.8	Very high	100 Å²	100	40.3 Å²	40.3	54%	0.535	22%	0.222	S	C	.	.	H	α-helix	trans	-64.2	-32.2	178.3	-71.6	-12	0	0	0	112.8	T421 V422 L423 I427	T421-N425 VanDerWaalsContact O-CB 3.3Å; T421-N425 WeakPolarHBondContact O-CB 3Å; T421-N425 PolarHBondContact O-N 2.98Å; T421-N425 PolarHBondContact O-ND2 3.3Å; V422-N425 PolarHBondContact O-N 3.31Å; L423-N425 PolarHBondContact O-N 3.26Å; N425-I427 PolarHBondContact O-N 3.31Å
426	D	95.5	Very high	93.5	Very high	40 Å²	40	42.9 Å²	42.9	21%	0.214	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-12.2	176.5	-107.5	44.2	0	0	0	113.7	K340 M344 K347 V422 L423 A424	K340-D426 IonicContact NZ-OD2 3.88Å; M344-D426 HydrophobicContact CE-CB 4.02Å; M344-D426 HydrophobicContact CG-CB 4.11Å; M344-D426 WeakPolarHBondContact CG-OD2 3.1Å; K347-D426 WeakPolarHBondContact CD-OD1 3.25Å; K347-D426 WeakPolarHBondContact CD-OD2 3.16Å; K347-D426 IonicContact NZ-OD1 3.46Å; K347-D426 PolarHBondContact NZ-OD1 3.44Å; K347-D426 IonicContact NZ-OD2 2.89Å; K347-D426 PolarHBondContact NZ-OD2 2.91Å; V422-D426 WeakPolarHBondContact O-CB 3.44Å; V422-D426 PolarHBondContact O-N 3.39Å; V422-D426 VanDerWaalsContact O-N 3.12Å; L423-D426 PolarHBondContact O-N 3.27Å; A424-D426 VanDerWaalsContact C-N 3.28Å; A424-D426 PolarHBondContact O-N 3.23Å
427	I	96	Very high	93.2	Very high	25 Å²	25	45.6 Å²	45.6	13%	0.128	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-33.3	179.9	-66.3	167.2	0	0	0	111.6	F222 I311 L312 M344 Y388 L423 A424 N425 P429	F222-I427 HydrophobicContact CE1-CG2 3.85Å; F222-I427 HydrophobicContact CZ-CB 4.1Å; F222-I427 HydrophobicContact CZ-CG2 3.89Å; I311-I427 HydrophobicContact CG1-CG2 3.63Å; I311-I427 HydrophobicContact CG2-CG2 4.22Å; L312-I427 HydrophobicContact CB-CD1 3.89Å; L312-I427 HydrophobicContact CD1-CD1 4.49Å; L312-I427 HydrophobicContact CD2-CD1 4.04Å; L312-I427 HydrophobicContact CG-CD1 4.36Å; M344-I427 HydrophobicContact CE-CD1 3.97Å; M344-I427 HydrophobicContact CE-CG1 3.68Å; Y388-I427 HydrophobicContact CD2-CD1 3.65Å; Y388-I427 HydrophobicContact CD2-CG1 3.72Å; Y388-I427 HydrophobicContact CE2-CD1 4.13Å; Y388-I427 HydrophobicContact CE2-CG1 3.67Å; Y388-I427 HydrophobicContact CE2-CG2 4.41Å; Y388-I427 HydrophobicContact CG-CD1 4.44Å; L423-I427 WeakPolarHBondContact O-CD1 3.41Å; L423-I427 PolarHBondContact O-N 3.05Å; L423-I427 WeakPolarHBondContact O-CG1 3.29Å; L423-I427 VanDerWaalsContact O-CG1 3.23Å; A424-I427 PolarHBondContact O-N 3.13Å; A424-I427 VanDerWaalsContact O-N 3.09Å; N425-I427 PolarHBondContact O-N 3.31Å; I427-P429 WeakPolarHBondContact O-CD 3.39Å
428	I	91.5	Very high	92.8	Very high	37 Å²	37	46.8 Å²	46.8	19%	0.19	26%	0.263	C	S	.	.	S	Bend	trans	-56.7	123.3	177.6	-66.4	166.7	0	0	0	108.3	H221 F222 A424 N430	H221-I428 HydrophobicContact CB-CD1 3.98Å; H221-I428 HydrophobicContact CB-CG1 3.95Å; F222-I428 HydrophobicContact CE2-CD1 3.95Å; F222-I428 HydrophobicContact CE2-CG1 3.56Å; F222-I428 HydrophobicContact CZ-CG1 3.68Å; A424-I428 WeakPolarHBondContact O-CG1 3.45Å; A424-I428 PolarHBondContact O-N 3.21Å; A424-I428 VanDerWaalsContact O-N 3.1Å; I428-N430 PolarHBondContact O-N 3.27Å
429	P	76.7	Confident	92.3	Very high	116 Å²	116	50.3 Å²	50.3	75%	0.753	28%	0.282	S	S	*	.			trans	-56.8	136.1	173.6	-22.5	33	0	0	0	110.3	I427	I427-P429 WeakPolarHBondContact O-CD 3.39Å
430	N	63	Low	91.7	Very high	239 Å²	239	54.5 Å²	54.5	100%	1.278	31%	0.305	S	S	*	.			trans	-59.2	0	176	-75.8	-27.2	0	0	0	112.6	I428	I428-N430 PolarHBondContact O-N 3.27Å

Retrieved 430 of 430 residues in 134.5 ms (Link to these results)

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