A0A3Q0KMV7_SCHMA Loading...

Fucosyltransferase

AlphaFold DB (A0A5K4ENB3), UniProt , Accession A0A3Q0KMV7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 428 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	39.2	Very low	46.3	Very low	242 Å²	242	164 Å²	164	100%	1.192	79%	0.789	S	S	*	*				0	89.5	0	-79.8	167.4	59.8	0	0	109.5
2	I	39.2	Very low	47.5	Very low	167 Å²	167	159.2 Å²	159.2	86%	0.856	77%	0.769	S	S	*	*			trans	-133.3	64.9	-175.7	-54.7	168	0	0	0	108.8
3	V	40.5	Very low	48.6	Very low	143 Å²	143	158.6 Å²	158.6	87%	0.867	76%	0.761	S	S	*	*			trans	-159.1	70.6	165.6	-168	0	0	0	0	110.2
4	Q	43.5	Very low	49.7	Very low	174 Å²	174	151.4 Å²	151.4	81%	0.813	74%	0.741	S	S	*	*			trans	-146.6	-0.6	163.6	-84.3	-142.9	-7.9	0	0	116.4	G6	Q4-G6 PolarHBondContact O-N 3.39Å
5	R	44	Very low	51.1	Low	237 Å²	237	148.2 Å²	148.2	89%	0.894	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-14.5	-177.7	-91.2	-177.7	173.9	179.3	-1.6	115.8
6	G	47	Very low	52.3	Low	58 Å²	58	140.8 Å²	140.8	60%	0.598	70%	0.7	S	S	*	*	H	α-helix	trans	-81.5	-26.8	-172.6	0	0	0	0	0	116.5	Q4 T9	Q4-G6 PolarHBondContact O-N 3.39Å; G6-T9 PolarHBondContact O-OG1 3.17Å
7	K	44.7	Very low	53.5	Low	183 Å²	183	141.9 Å²	141.9	80%	0.796	70%	0.7	S	S	*	*	H	α-helix	trans	-82.4	-25.8	-176.3	-80.7	-175	175.9	179.6	0	113.6
8	W	47	Very low	54.9	Low	185 Å²	185	138.9 Å²	138.9	70%	0.701	69%	0.691	S	S	*	*	H	α-helix	trans	-73.2	-35.9	-179.4	-91.2	86.3	0	0	0	112.9	L10 R11 I12	W8-L10 VanDerWaalsContact C-N 3.34Å; W8-L10 PolarHBondContact O-N 3.43Å; W8-R11 PolarHBondContact O-N 3.42Å; W8-I12 HydrophobicContact CE3-CD1 4.29Å; W8-I12 WeakPolarHBondContact O-CG1 3.33Å; W8-I12 PolarHBondContact O-N 3.09Å
9	T	53.6	Low	56.3	Low	86 Å²	86	137.4 Å²	137.4	53%	0.528	69%	0.685	S	S	.	*	H	α-helix	trans	-67.6	-32.8	-179.7	49	0	0	0	0	112.8	G6 K13	G6-T9 PolarHBondContact O-OG1 3.17Å; T9-K13 PolarHBondContact O-N 3.17Å
10	L	53.6	Low	57.6	Low	135 Å²	135	135.5 Å²	135.5	71%	0.707	68%	0.676	S	S	*	*	H	α-helix	trans	-72.6	-39.8	178.2	-145.2	80.2	0	0	0	112.2	W8 K13 A14	W8-L10 VanDerWaalsContact C-N 3.34Å; W8-L10 PolarHBondContact O-N 3.43Å; L10-K13 PolarHBondContact O-N 3.42Å; L10-A14 PolarHBondContact O-N 3.1Å; L10-A14 VanDerWaalsContact O-N 3.1Å
11	R	57.1	Low	58.6	Low	194 Å²	194	131.6 Å²	131.6	73%	0.732	67%	0.665	S	S	*	*	H	α-helix	trans	-66.3	-39.7	177.1	-80.4	-172.9	171.9	-176	-3	112.4	W8 K13 A14 I15	W8-R11 PolarHBondContact O-N 3.42Å; R11-K13 VanDerWaalsContact C-N 3.35Å; R11-K13 PolarHBondContact O-N 3.27Å; R11-A14 PolarHBondContact O-N 3.07Å; R11-I15 WeakPolarHBondContact O-CG1 3.34Å; R11-I15 PolarHBondContact O-N 3.44Å; R11-I15 VanDerWaalsContact O-N 3.09Å
12	I	60.2	Low	60.5	Low	106 Å²	106	125.3 Å²	125.3	54%	0.544	64%	0.636	S	S	.	*	H	α-helix	trans	-65.1	-39.8	177.9	-65.2	167.7	0	0	0	110.8	W8 I15 G16	W8-I12 HydrophobicContact CE3-CD1 4.29Å; W8-I12 WeakPolarHBondContact O-CG1 3.33Å; W8-I12 PolarHBondContact O-N 3.09Å; I12-I15 PolarHBondContact O-N 3.49Å; I12-G16 PolarHBondContact O-N 3.33Å; I12-G16 VanDerWaalsContact O-N 3.07Å
13	K	61.7	Low	62.3	Low	152 Å²	152	123 Å²	123	66%	0.661	62%	0.62	S	S	*	*	H	α-helix	trans	-64.2	-42.1	175.2	-75.8	-174.3	175.5	-173.1	0	112.5	T9 L10 R11 I15 G16 F17	T9-K13 PolarHBondContact O-N 3.17Å; L10-K13 PolarHBondContact O-N 3.42Å; R11-K13 VanDerWaalsContact C-N 3.35Å; R11-K13 PolarHBondContact O-N 3.27Å; K13-I15 PolarHBondContact O-N 3.31Å; K13-G16 PolarHBondContact O-N 3.15Å; K13-F17 WeakPolarHBondContact O-CD2 3.36Å; K13-F17 PolarHBondContact O-N 3.42Å; K13-F17 VanDerWaalsContact O-N 3.11Å
14	A	64.8	Low	64	Low	58 Å²	58	120.4 Å²	120.4	48%	0.479	60%	0.6	S	S	.	*	H	α-helix	trans	-63.1	-41	178.2	0	0	0	0	0	112.3	L10 R11 G16 F17 V18	L10-A14 PolarHBondContact O-N 3.1Å; L10-A14 VanDerWaalsContact O-N 3.1Å; R11-A14 PolarHBondContact O-N 3.07Å; A14-G16 VanDerWaalsContact C-N 3.34Å; A14-G16 PolarHBondContact O-N 3.33Å; A14-F17 PolarHBondContact O-N 3.5Å; A14-V18 WeakPolarHBondContact O-CG2 3.47Å; A14-V18 PolarHBondContact O-N 3.28Å; A14-V18 VanDerWaalsContact O-N 3.15Å
15	I	69.8	Low	65.4	Low	103 Å²	103	115.8 Å²	115.8	53%	0.528	58%	0.583	S	S	.	*	H	α-helix	trans	-65.4	-39.5	176.7	-65.2	163.5	0	0	0	110.8	R11 I12 K13 F17 V18 L19	R11-I15 WeakPolarHBondContact O-CG1 3.34Å; R11-I15 PolarHBondContact O-N 3.44Å; R11-I15 VanDerWaalsContact O-N 3.09Å; I12-I15 PolarHBondContact O-N 3.49Å; K13-I15 PolarHBondContact O-N 3.31Å; I15-F17 PolarHBondContact O-N 3.03Å; I15-V18 PolarHBondContact O-N 3.45Å; I15-L19 HydrophobicContact CG2-CD1 3.96Å; I15-L19 HydrophobicContact CG2-CG 4.5Å; I15-L19 WeakPolarHBondContact O-CG 3.44Å; I15-L19 PolarHBondContact O-N 3.48Å
16	G	71.6	Confident	66.8	Low	30 Å²	30	111.6 Å²	111.6	31%	0.309	57%	0.568	S	S	.	*	H	α-helix	trans	-59.2	-43.2	174.8	0	0	0	0	0	112.9	I12 K13 A14 L19 I20	I12-G16 PolarHBondContact O-N 3.33Å; I12-G16 VanDerWaalsContact O-N 3.07Å; K13-G16 PolarHBondContact O-N 3.15Å; A14-G16 VanDerWaalsContact C-N 3.34Å; A14-G16 PolarHBondContact O-N 3.33Å; G16-L19 PolarHBondContact O-N 3.11Å; G16-I20 VanDerWaalsContact O-CG1 3.28Å; G16-I20 WeakPolarHBondContact O-CG1 3.46Å; G16-I20 PolarHBondContact O-N 3.05Å
17	F	71.9	Confident	67.6	Low	159 Å²	159	113.1 Å²	113.1	70%	0.697	56%	0.561	S	S	*	*	H	α-helix	trans	-65.2	-39.9	177.1	-93.5	-82.4	0	0	0	113	K13 A14 I15 I20 A21	K13-F17 WeakPolarHBondContact O-CD2 3.36Å; K13-F17 PolarHBondContact O-N 3.42Å; K13-F17 VanDerWaalsContact O-N 3.11Å; A14-F17 PolarHBondContact O-N 3.5Å; I15-F17 PolarHBondContact O-N 3.03Å; F17-I20 PolarHBondContact O-N 3.38Å; F17-A21 WeakPolarHBondContact O-CB 3.28Å; F17-A21 PolarHBondContact O-N 3.26Å
18	V	78.4	Confident	68.5	Low	88 Å²	88	110 Å²	110	53%	0.533	55%	0.552	S	S	.	*	H	α-helix	trans	-66.5	-40.3	177.7	175.4	0	0	0	0	111.2	A14 I15 A21 L22	A14-V18 WeakPolarHBondContact O-CG2 3.47Å; A14-V18 PolarHBondContact O-N 3.28Å; A14-V18 VanDerWaalsContact O-N 3.15Å; I15-V18 PolarHBondContact O-N 3.45Å; V18-A21 PolarHBondContact O-N 3.44Å; V18-L22 HydrophobicContact CG1-CD1 4.01Å; V18-L22 HydrophobicContact CG1-CG 4.48Å; V18-L22 WeakPolarHBondContact O-CB 3.35Å; V18-L22 WeakPolarHBondContact O-CG 3.49Å; V18-L22 PolarHBondContact O-N 3.47Å
19	L	81.4	Confident	69.4	Low	110 Å²	110	106.7 Å²	106.7	58%	0.576	55%	0.549	S	S	*	.	H	α-helix	trans	-66.1	-39.5	177	-74.4	167.9	0	0	0	112.4	I15 G16 L22 F23	I15-L19 HydrophobicContact CG2-CD1 3.96Å; I15-L19 HydrophobicContact CG2-CG 4.5Å; I15-L19 WeakPolarHBondContact O-CG 3.44Å; I15-L19 PolarHBondContact O-N 3.48Å; G16-L19 PolarHBondContact O-N 3.11Å; L19-L22 PolarHBondContact O-N 2.94Å; L19-F23 WeakPolarHBondContact O-CB 3.45Å; L19-F23 PolarHBondContact O-N 2.96Å
20	I	82.2	Confident	69.3	Low	100 Å²	100	105.6 Å²	105.6	51%	0.513	54%	0.539	S	S	.	.	H	α-helix	trans	-65	-43.6	175.2	-68	165.6	0	0	0	110.6	G16 F17 L22 F23 I24	G16-I20 VanDerWaalsContact O-CG1 3.28Å; G16-I20 WeakPolarHBondContact O-CG1 3.46Å; G16-I20 PolarHBondContact O-N 3.05Å; F17-I20 PolarHBondContact O-N 3.38Å; I20-L22 PolarHBondContact O-N 3.49Å; I20-F23 PolarHBondContact O-N 3Å; I20-I24 HydrophobicContact CG2-CD1 3.88Å; I20-I24 HydrophobicContact CG2-CG1 4.5Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 2.95Å
21	A	79.8	Confident	69.1	Low	53 Å²	53	102.1 Å²	102.1	44%	0.438	53%	0.526	S	S	.	.	H	α-helix	trans	-62.3	-43.5	177.6	0	0	0	0	0	112	F17 V18 F23 I24 V25	F17-A21 WeakPolarHBondContact O-CB 3.28Å; F17-A21 PolarHBondContact O-N 3.26Å; V18-A21 PolarHBondContact O-N 3.44Å; A21-F23 VanDerWaalsContact C-N 3.34Å; A21-F23 PolarHBondContact O-N 3.49Å; A21-I24 PolarHBondContact O-N 3.01Å; A21-V25 WeakPolarHBondContact O-CG2 3.32Å; A21-V25 PolarHBondContact O-N 3.35Å
22	L	79.4	Confident	68.6	Low	110 Å²	110	97.5 Å²	97.5	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-65.3	-36.8	175.9	-71.9	171.6	0	0	0	112.2	V18 L19 I20 V25 W26	V18-L22 HydrophobicContact CG1-CD1 4.01Å; V18-L22 HydrophobicContact CG1-CG 4.48Å; V18-L22 WeakPolarHBondContact O-CB 3.35Å; V18-L22 WeakPolarHBondContact O-CG 3.49Å; V18-L22 PolarHBondContact O-N 3.47Å; L19-L22 PolarHBondContact O-N 2.94Å; I20-L22 PolarHBondContact O-N 3.49Å; L22-V25 PolarHBondContact O-N 3.37Å; L22-W26 VanDerWaalsContact O-CB 3.27Å; L22-W26 WeakPolarHBondContact O-CB 3.46Å; L22-W26 PolarHBondContact O-N 2.95Å
23	F	77.2	Confident	68	Low	120 Å²	120	96.8 Å²	96.8	53%	0.526	53%	0.525	S	S	.	.	H	α-helix	trans	-67.3	-37.6	175.9	-172.6	-106.6	0	0	0	112.5	L19 I20 A21 W26 L27	L19-F23 WeakPolarHBondContact O-CB 3.45Å; L19-F23 PolarHBondContact O-N 2.96Å; I20-F23 PolarHBondContact O-N 3Å; A21-F23 VanDerWaalsContact C-N 3.34Å; A21-F23 PolarHBondContact O-N 3.49Å; F23-W26 HydrophobicContact CD2-CE3 4.22Å; F23-W26 HydrophobicContact CE2-CE3 4.03Å; F23-W26 HydrophobicContact CE2-CZ3 4.09Å; F23-W26 PolarHBondContact O-N 3.28Å; F23-L27 HydrophobicContact CD1-CD1 3.74Å; F23-L27 HydrophobicContact CD1-CG 4.41Å; F23-L27 HydrophobicContact CE1-CD1 3.41Å; F23-L27 VanDerWaalsContact CE1-CD1 3.41Å; F23-L27 HydrophobicContact CE1-CG 4.11Å; F23-L27 HydrophobicContact CZ-CD1 4.05Å; F23-L27 HydrophobicContact CZ-CG 4.31Å; F23-L27 WeakPolarHBondContact O-CB 3.35Å; F23-L27 WeakPolarHBondContact O-CG 3.27Å; F23-L27 PolarHBondContact O-N 2.9Å
24	I	75.1	Confident	67	Low	87 Å²	87	96.2 Å²	96.2	45%	0.446	53%	0.529	S	S	.	.	H	α-helix	trans	-66.3	-44.5	174.2	-67.7	167.1	0	0	0	110.7	I20 A21 W26 L27 I28	I20-I24 HydrophobicContact CG2-CD1 3.88Å; I20-I24 HydrophobicContact CG2-CG1 4.5Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 2.95Å; A21-I24 PolarHBondContact O-N 3.01Å; I24-W26 VanDerWaalsContact C-N 3.27Å; I24-W26 PolarHBondContact O-N 2.94Å; I24-L27 PolarHBondContact O-N 3.4Å; I24-I28 HydrophobicContact CG2-CD1 3.8Å; I24-I28 HydrophobicContact CG2-CG1 4.46Å; I24-I28 VanDerWaalsContact O-CG1 3.27Å; I24-I28 WeakPolarHBondContact O-CG1 3.48Å; I24-I28 PolarHBondContact O-N 2.88Å
25	V	73.5	Confident	65.7	Low	77 Å²	77	100.4 Å²	100.4	47%	0.467	54%	0.542	S	S	.	.	H	α-helix	trans	-62.8	-36.6	175.6	172.8	0	0	0	0	111.3	A21 L22 N29	A21-V25 WeakPolarHBondContact O-CG2 3.32Å; A21-V25 PolarHBondContact O-N 3.35Å; L22-V25 PolarHBondContact O-N 3.37Å; V25-N29 WeakPolarHBondContact O-CB 3.27Å; V25-N29 PolarHBondContact O-N 3.43Å; V25-N29 VanDerWaalsContact O-N 3.12Å; V25-N29 PolarHBondContact O-ND2 3.29Å
26	W	72.2	Confident	64.1	Low	150 Å²	150	105.5 Å²	105.5	57%	0.568	56%	0.556	S	S	*	*	H	α-helix	trans	-67.4	-43.2	175.3	-174.2	80.9	0	0	0	112.2	L22 F23 I24 N29 I30	L22-W26 VanDerWaalsContact O-CB 3.27Å; L22-W26 WeakPolarHBondContact O-CB 3.46Å; L22-W26 PolarHBondContact O-N 2.95Å; F23-W26 HydrophobicContact CD2-CE3 4.22Å; F23-W26 HydrophobicContact CE2-CE3 4.03Å; F23-W26 HydrophobicContact CE2-CZ3 4.09Å; F23-W26 PolarHBondContact O-N 3.28Å; I24-W26 VanDerWaalsContact C-N 3.27Å; I24-W26 PolarHBondContact O-N 2.94Å; W26-N29 PolarHBondContact O-N 3.12Å; W26-I30 HydrophobicContact CD2-CD1 3.71Å; W26-I30 HydrophobicContact CE3-CD1 4.31Å; W26-I30 HydrophobicContact CG-CD1 4.2Å; W26-I30 HydrophobicContact CH2-CD1 3.92Å; W26-I30 HydrophobicContact CZ2-CD1 3.26Å; W26-I30 HydrophobicContact CZ3-CD1 4.4Å; W26-I30 VanDerWaalsContact NE1-CD1 3.31Å; W26-I30 WeakPolarHBondContact O-CG1 3.49Å; W26-I30 PolarHBondContact O-N 3.45Å; W26-I30 VanDerWaalsContact O-N 3.09Å
27	L	63.6	Low	62.2	Low	89 Å²	89	110.8 Å²	110.8	47%	0.466	58%	0.582	S	S	.	*	H	α-helix	trans	-62	-42.5	174.6	-83.3	168.5	0	0	0	112.5	F23 I24 N29 I30 S31	F23-L27 HydrophobicContact CD1-CD1 3.74Å; F23-L27 HydrophobicContact CD1-CG 4.41Å; F23-L27 HydrophobicContact CE1-CD1 3.41Å; F23-L27 VanDerWaalsContact CE1-CD1 3.41Å; F23-L27 HydrophobicContact CE1-CG 4.11Å; F23-L27 HydrophobicContact CZ-CD1 4.05Å; F23-L27 HydrophobicContact CZ-CG 4.31Å; F23-L27 WeakPolarHBondContact O-CB 3.35Å; F23-L27 WeakPolarHBondContact O-CG 3.27Å; F23-L27 PolarHBondContact O-N 2.9Å; I24-L27 PolarHBondContact O-N 3.4Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.45Å; L27-I30 PolarHBondContact O-N 3.36Å; L27-S31 PolarHBondContact O-N 3.09Å
28	I	65.1	Low	60.2	Low	118 Å²	118	106.3 Å²	106.3	61%	0.605	58%	0.581	S	S	*	*	H	α-helix	trans	-64	-38.6	178.1	-67.5	166.4	0	0	0	110.6	I24	I24-I28 HydrophobicContact CG2-CD1 3.8Å; I24-I28 HydrophobicContact CG2-CG1 4.46Å; I24-I28 VanDerWaalsContact O-CG1 3.27Å; I24-I28 WeakPolarHBondContact O-CG1 3.48Å; I24-I28 PolarHBondContact O-N 2.88Å
29	N	64.4	Low	57.9	Low	116 Å²	116	110.4 Å²	110.4	62%	0.62	60%	0.598	S	S	*	*	H	α-helix	trans	-80.1	-18.6	-178	-78.2	-52	0	0	0	114.8	V25 W26 L27 P32	V25-N29 WeakPolarHBondContact O-CB 3.27Å; V25-N29 PolarHBondContact O-N 3.43Å; V25-N29 VanDerWaalsContact O-N 3.12Å; V25-N29 PolarHBondContact O-ND2 3.29Å; W26-N29 PolarHBondContact O-N 3.12Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.45Å; N29-P32 WeakPolarHBondContact O-CD 3.48Å
30	I	52.3	Low	55.4	Low	62 Å²	62	113.6 Å²	113.6	32%	0.318	61%	0.61	S	S	.	*	H	α-helix	trans	-94.9	-11	178.9	-68.4	-177.8	0	0	0	112.8	W26 L27 S33 L34	W26-I30 HydrophobicContact CD2-CD1 3.71Å; W26-I30 HydrophobicContact CE3-CD1 4.31Å; W26-I30 HydrophobicContact CG-CD1 4.2Å; W26-I30 HydrophobicContact CH2-CD1 3.92Å; W26-I30 HydrophobicContact CZ2-CD1 3.26Å; W26-I30 HydrophobicContact CZ3-CD1 4.4Å; W26-I30 VanDerWaalsContact NE1-CD1 3.31Å; W26-I30 WeakPolarHBondContact O-CG1 3.49Å; W26-I30 PolarHBondContact O-N 3.45Å; W26-I30 VanDerWaalsContact O-N 3.09Å; L27-I30 PolarHBondContact O-N 3.36Å; I30-S33 PolarHBondContact O-N 3.21Å; I30-S33 PolarHBondContact O-OG 3.47Å; I30-L34 HydrophobicContact CG2-CD1 4.47Å
31	S	50	Low	52.8	Low	62 Å²	62	115.6 Å²	115.6	43%	0.434	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.5	-9.9	-176.8	-154.7	0	0	0	0	117.8	L27	L27-S31 PolarHBondContact O-N 3.09Å
32	P	45.7	Very low	50.4	Low	98 Å²	98	121.5 Å²	121.5	64%	0.636	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-24.2	172.7	-17.1	31.1	0	0	0	114.1	N29	N29-P32 WeakPolarHBondContact O-CD 3.48Å
33	S	47.6	Very low	47.9	Very low	91 Å²	91	120.7 Å²	120.7	64%	0.636	64%	0.644	S	S	*	*	S	Bend	trans	-89.7	-12.8	-173.9	49.7	0	0	0	0	115	I30	I30-S33 PolarHBondContact O-N 3.21Å; I30-S33 PolarHBondContact O-OG 3.47Å
34	L	40.6	Very low	45.7	Very low	139 Å²	139	123.9 Å²	123.9	73%	0.728	66%	0.66	S	S	*	*	S	Bend	trans	-103.4	-7.6	-176.7	-86.6	158.2	0	0	0	114.9	I30	I30-L34 HydrophobicContact CG2-CD1 4.47Å
35	L	38.9	Very low	43.4	Very low	146 Å²	146	125 Å²	125	76%	0.764	67%	0.671	S	S	*	*	S	Bend	trans	-94.8	8.3	175.5	-78.1	163.1	0	0	0	113.7	V37	L35-V37 VanDerWaalsContact C-N 3.32Å; L35-V37 PolarHBondContact O-N 3.46Å
36	Y	34.4	Very low	41.2	Very low	211 Å²	211	131.5 Å²	131.5	83%	0.827	69%	0.688	S	S	*	*			trans	-91.8	51.1	179.7	-120.7	-85.3	0	0	0	112.4
37	V	32.9	Very low	39.1	Very low	141 Å²	141	132 Å²	132	86%	0.855	70%	0.701	S	S	*	*	S	Bend	trans	-140.7	105	170.3	-174.8	0	0	0	0	109.5	L35	L35-V37 VanDerWaalsContact C-N 3.32Å; L35-V37 PolarHBondContact O-N 3.46Å
38	G	30.4	Very low	37.5	Very low	65 Å²	65	131.3 Å²	131.3	67%	0.67	70%	0.704	S	S	*	*			trans	107.7	59.7	151.4	0	0	0	0	0	117.3
39	I	30.1	Very low	36	Very low	174 Å²	174	130.9 Å²	130.9	89%	0.892	70%	0.703	S	S	*	*			trans	-137.1	80.9	141.7	-52.9	-179.5	0	0	0	107.4
40	H	28.2	Very low	34.4	Very low	177 Å²	177	130.9 Å²	130.9	82%	0.819	70%	0.703	S	S	*	*			trans	-85.4	151.2	158.1	-94.2	-76	0	0	0	108.4
41	N	28.3	Very low	33.4	Very low	141 Å²	141	134.4 Å²	134.4	75%	0.754	72%	0.72	S	S	*	*			trans	84.1	92.1	173.3	-60.6	-10.7	0	0	0	115.6
42	E	28.9	Very low	32.4	Very low	177 Å²	177	133.7 Å²	133.7	83%	0.827	72%	0.722	S	S	*	*				171	129.4	103.3	-91.1	173	-174.6	0	0	111.2
43	S	26.8	Very low	31.7	Very low	94 Å²	94	134.9 Å²	134.9	66%	0.657	72%	0.722	S	S	*	*			trans	55.9	80.8	150.9	65.5	0	0	0	0	120.7
44	H	30	Very low	31.2	Very low	187 Å²	187	134.5 Å²	134.5	87%	0.866	71%	0.712	S	S	*	*			trans	-148.7	56.9	148.2	-79.3	-63.7	0	0	0	111.7
45	T	26.6	Very low	30.9	Very low	111 Å²	111	133.2 Å²	133.2	68%	0.681	70%	0.702	S	S	*	*			trans	-97.6	18.8	-178.6	37.4	0	0	0	0	115.3
46	Y	28.2	Very low	30.9	Very low	212 Å²	212	135 Å²	135	83%	0.831	70%	0.704	S	S	*	*	S	Bend	trans	-121.2	1.8	-174.4	-85.7	-77.8	0	0	0	117.5
47	L	28.3	Very low	31.2	Very low	161 Å²	161	130.9 Å²	130.9	84%	0.843	70%	0.696	S	S	*	*	S	Bend	trans	-124.1	-14.6	-178	-87.9	151.6	0	0	0	116.4
48	S	30.8	Very low	31.8	Very low	74 Å²	74	125.3 Å²	125.3	52%	0.517	66%	0.662	S	S	.	*	S	Bend	trans	-83.3	-33.3	-179.9	57.7	0	0	0	0	114.7	N50 M51 G52	S48-N50 PolarHBondContact O-N 2.79Å; S48-M51 PolarHBondContact O-N 2.71Å; S48-G52 PolarHBondContact O-N 2.9Å
49	D	31.9	Very low	32.6	Very low	109 Å²	109	130 Å²	130	58%	0.583	66%	0.664	S	S	*	*	H	α-helix	trans	-76.4	-28.7	-162.2	-69.3	-0.9	0	0	0	113.2	L53	D49-L53 PolarHBondContact O-N 3.44Å
50	N	31.8	Very low	33.5	Very low	117 Å²	117	127.7 Å²	127.7	63%	0.626	65%	0.653	S	S	*	*	H	α-helix	trans	-80.8	-20.2	179.1	-76.9	-33.6	0	0	0	114	S48	S48-N50 PolarHBondContact O-N 2.79Å
51	M	30.3	Very low	34.6	Very low	136 Å²	136	124 Å²	124	67%	0.67	65%	0.648	S	S	*	*	H	α-helix	trans	-83.2	-34.8	170	-100.7	166.1	66.8	0	0	111.5	S48 L53 I54 H55	S48-M51 PolarHBondContact O-N 2.71Å; M51-L53 PolarHBondContact O-N 3.24Å; M51-I54 PolarHBondContact O-N 2.8Å; M51-H55 PolarHBondContact O-N 3.11Å
52	G	29	Very low	36.2	Very low	46 Å²	46	124.5 Å²	124.5	47%	0.474	65%	0.65	S	S	.	*	H	α-helix	trans	-64.3	-36.8	177.5	0	0	0	0	0	113.7	S48 I54 H55	S48-G52 PolarHBondContact O-N 2.9Å; G52-I54 PolarHBondContact O-N 3.2Å; G52-H55 PolarHBondContact O-N 3.22Å
53	L	32.8	Very low	38.1	Very low	124 Å²	124	118 Å²	118	65%	0.649	62%	0.624	S	S	*	*	H	α-helix	trans	-69.9	-29.5	179.5	-92.7	150.6	0	0	0	113.5	D49 M51	D49-L53 PolarHBondContact O-N 3.44Å; M51-L53 PolarHBondContact O-N 3.24Å
54	I	36.4	Very low	40.9	Very low	82 Å²	82	116.6 Å²	116.6	42%	0.421	61%	0.614	S	S	.	*	H	α-helix	trans	-78.6	-29.7	178.1	-60.5	173.6	0	0	0	111	M51 G52 K56 I58	M51-I54 PolarHBondContact O-N 2.8Å; G52-I54 PolarHBondContact O-N 3.2Å; I54-K56 VanDerWaalsContact C-N 3.31Å; I54-K56 PolarHBondContact O-N 3.23Å; I54-I58 WeakPolarHBondContact O-CG1 3.37Å
55	H	33.3	Very low	43.6	Very low	113 Å²	113	111.9 Å²	111.9	52%	0.523	59%	0.593	S	S	.	*	H	α-helix	trans	-68.9	-24	-178	-93	-62.6	0	0	0	114.8	M51 G52	M51-H55 PolarHBondContact O-N 3.11Å; G52-H55 PolarHBondContact O-N 3.22Å
56	K	39.1	Very low	46.6	Very low	182 Å²	182	112.6 Å²	112.6	79%	0.791	59%	0.591	S	S	*	*	H	α-helix	trans	-74.5	-31.4	-175.8	-118.1	177.4	179.8	173.3	0	113.5	I54 I58	I54-K56 VanDerWaalsContact C-N 3.31Å; I54-K56 PolarHBondContact O-N 3.23Å; K56-I58 VanDerWaalsContact C-N 3.26Å; K56-I58 PolarHBondContact O-N 3.27Å
57	D	41.1	Very low	49.6	Very low	126 Å²	126	106.9 Å²	106.9	67%	0.674	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	4.5	179.5	-66.1	-14	0	0	0	113.3
58	I	46.8	Very low	52.4	Low	24 Å²	24	99.6 Å²	99.6	12%	0.123	53%	0.534	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-23	-175	-65.6	178.3	0	0	0	112.4	I54 K56 R100	I54-I58 WeakPolarHBondContact O-CG1 3.37Å; K56-I58 VanDerWaalsContact C-N 3.26Å; K56-I58 PolarHBondContact O-N 3.27Å; I58-R100 PolarHBondContact O-NH1 3.03Å; I58-R100 PolarHBondContact O-NH2 3.11Å
59	F	46	Very low	55.2	Low	163 Å²	163	96.2 Å²	96.2	72%	0.715	51%	0.511	S	S	*	.			trans	-108.1	13.1	-165.4	-70.9	-77.7	0	0	0	116.4	S61	F59-S61 PolarHBondContact O-N 2.88Å
60	D	48.9	Very low	58	Low	126 Å²	126	97.1 Å²	97.1	67%	0.674	51%	0.513	S	S	*	.			trans	-70.8	116.8	166.1	-96.1	-27	0	0	0	109.8	N62 R100	D60-N62 VanDerWaalsContact C-N 3.33Å; D60-R100 PolarHBondContact O-NH1 3.15Å; D60-R100 VanDerWaalsContact O-NH1 3.08Å
61	S	52.5	Low	60.6	Low	100 Å²	100	93.9 Å²	93.9	70%	0.699	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.8	-170	50.1	0	0	0	0	113.8	F59	F59-S61 PolarHBondContact O-N 2.88Å
62	N	60.1	Low	63.4	Low	151 Å²	151	87.4 Å²	87.4	81%	0.807	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	15.4	-170.5	-77	-14	0	0	0	114.8	D60 S64	D60-N62 VanDerWaalsContact C-N 3.33Å; N62-S64 PolarHBondContact O-N 3.32Å
63	S	69.7	Low	66.1	Low	39 Å²	39	88.7 Å²	88.7	27%	0.273	46%	0.457	S	S	.	.			trans	-60.5	130.7	175.3	-59.9	0	0	0	0	110.6	E67	S63-E67 WeakPolarHBondContact CA-OE2 3.39Å; S63-E67 WeakPolarHBondContact CB-OE2 3.36Å
64	S	86.4	Confident	68.5	Low	65 Å²	65	89.8 Å²	89.8	46%	0.455	46%	0.457	S	S	.	.			trans	-62.9	156.4	174.5	68.9	0	0	0	0	110.9	N62 L66 E67 L68	N62-S64 PolarHBondContact O-N 3.32Å; S64-L66 PolarHBondContact O-N 3.23Å; S64-E67 WeakPolarHBondContact O-CB 3.45Å; S64-E67 PolarHBondContact O-N 3.08Å; S64-E67 VanDerWaalsContact O-N 3.08Å; S64-E67 WeakPolarHBondContact OG-CB 3.39Å; S64-E67 PolarHBondContact OG-N 3.09Å; S64-L68 PolarHBondContact O-N 2.93Å
65	E	86	Confident	70.6	Confident	89 Å²	89	87.2 Å²	87.2	42%	0.416	45%	0.446	S	S	.	.	H	α-helix	trans	-50.8	-44.2	174.3	-179.2	-174.9	133.3	0	0	111.7	E67 L68 A69 L101 L105	E65-E67 PolarHBondContact O-N 3.23Å; E65-L68 PolarHBondContact O-N 3.02Å; E65-A69 WeakPolarHBondContact O-CB 3.28Å; E65-A69 PolarHBondContact O-N 3.25Å; E65-L101 HydrophobicContact CG-CD1 3.62Å; E65-L105 VanDerWaalsContact CD-CD2 3.45Å; E65-L105 HydrophobicContact CG-CD2 4.3Å; E65-L105 WeakPolarHBondContact OE1-CD2 3.43Å
66	L	88.8	Confident	72.9	Confident	125 Å²	125	81.9 Å²	81.9	65%	0.654	42%	0.421	S	S	*	.	H	α-helix	trans	-62.2	-43.1	179.3	-177.3	65.6	0	0	0	112	S64 A69 M70	S64-L66 PolarHBondContact O-N 3.23Å; L66-A69 PolarHBondContact O-N 3.23Å; L66-M70 HydrophobicContact CG-SD 4.39Å; L66-M70 WeakPolarHBondContact O-CB 3.48Å; L66-M70 VanDerWaalsContact O-CG 3.26Å; L66-M70 WeakPolarHBondContact O-CG 3.44Å; L66-M70 PolarHBondContact O-N 3.3Å
67	E	91	Very high	74.4	Confident	92 Å²	92	75.6 Å²	75.6	43%	0.43	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	-46.2	178.7	-175.5	-176.2	178.5	0	0	111.3	S63 S64 E65 A69 M70 I71	S63-E67 WeakPolarHBondContact CA-OE2 3.39Å; S63-E67 WeakPolarHBondContact CB-OE2 3.36Å; S64-E67 WeakPolarHBondContact O-CB 3.45Å; S64-E67 PolarHBondContact O-N 3.08Å; S64-E67 VanDerWaalsContact O-N 3.08Å; S64-E67 WeakPolarHBondContact OG-CB 3.39Å; S64-E67 PolarHBondContact OG-N 3.09Å; E65-E67 PolarHBondContact O-N 3.23Å; E67-A69 VanDerWaalsContact C-N 3.3Å; E67-A69 PolarHBondContact O-N 3.42Å; E67-M70 PolarHBondContact O-N 3.37Å; E67-I71 HydrophobicContact CG-CD1 4.16Å; E67-I71 VanDerWaalsContact O-CG1 3.31Å; E67-I71 WeakPolarHBondContact O-CG1 3.39Å; E67-I71 PolarHBondContact O-N 3.13Å
68	L	89	Confident	75.2	Confident	8 Å²	8	73.1 Å²	73.1	4%	0.042	39%	0.389	C	S	.	.	H	α-helix	trans	-62.1	-41.2	177.6	-172.3	58	0	0	0	111.3	S64 E65 I71 L72 R97 R100 L101	S64-L68 PolarHBondContact O-N 2.93Å; E65-L68 PolarHBondContact O-N 3.02Å; L68-I71 PolarHBondContact O-N 3.32Å; L68-L72 HydrophobicContact CD1-CD1 4.49Å; L68-L72 HydrophobicContact CG-CD1 4.15Å; L68-L72 WeakPolarHBondContact O-CB 3.34Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 2.82Å; L68-L72 PolarHBondContact O-N 3.17Å; L68-R97 HydrophobicContact CD1-CB 3.63Å; L68-R97 HydrophobicContact CD1-CG 3.68Å; L68-R97 WeakPolarHBondContact CD2-O 3.47Å; L68-R100 HydrophobicContact CD2-CB 3.63Å; L68-L101 HydrophobicContact CD2-CB 3.66Å; L68-L101 HydrophobicContact CD2-CD1 4.46Å; L68-L101 VanDerWaalsContact CD2-N 3.28Å; L68-L101 HydrophobicContact CG-CB 4.09Å
69	A	89.4	Confident	75.6	Confident	4 Å²	4	74.2 Å²	74.2	3%	0.033	40%	0.395	C	S	.	.	H	α-helix	trans	-62.7	-45	173.7	0	0	0	0	0	112	E65 L66 E67 I71 L72 H73 A402 F403	E65-A69 WeakPolarHBondContact O-CB 3.28Å; E65-A69 PolarHBondContact O-N 3.25Å; L66-A69 PolarHBondContact O-N 3.23Å; E67-A69 VanDerWaalsContact C-N 3.3Å; E67-A69 PolarHBondContact O-N 3.42Å; A69-I71 VanDerWaalsContact C-N 3.33Å; A69-I71 PolarHBondContact O-N 3.42Å; A69-L72 PolarHBondContact O-N 3.27Å; A69-H73 WeakPolarHBondContact O-CB 3.18Å; A69-H73 PolarHBondContact O-N 2.79Å; A69-A402 WeakPolarHBondContact CB-O 3.5Å; A69-F403 HydrophobicContact CB-CB 3.88Å; A69-F403 WeakPolarHBondContact O-CB 3.37Å
70	M	89	Confident	75.7	Confident	128 Å²	128	75.9 Å²	75.9	63%	0.631	40%	0.398	S	S	*	.	H	α-helix	trans	-61.4	-40.7	176	-74.8	177.5	68	0	0	112.5	L66 E67 K74	L66-M70 HydrophobicContact CG-SD 4.39Å; L66-M70 WeakPolarHBondContact O-CB 3.48Å; L66-M70 VanDerWaalsContact O-CG 3.26Å; L66-M70 WeakPolarHBondContact O-CG 3.44Å; L66-M70 PolarHBondContact O-N 3.3Å; E67-M70 PolarHBondContact O-N 3.37Å; M70-K74 WeakPolarHBondContact O-CB 3.47Å; M70-K74 PolarHBondContact O-N 3.25Å
71	I	87.5	Confident	75.6	Confident	48 Å²	48	75.2 Å²	75.2	25%	0.246	39%	0.391	C	S	.	.	H	α-helix	trans	-62.7	-50.7	176.1	-69.2	166.4	0	0	0	110.1	E67 L68 A69 H73 K74 S75 R97	E67-I71 HydrophobicContact CG-CD1 4.16Å; E67-I71 VanDerWaalsContact O-CG1 3.31Å; E67-I71 WeakPolarHBondContact O-CG1 3.39Å; E67-I71 PolarHBondContact O-N 3.13Å; L68-I71 PolarHBondContact O-N 3.32Å; A69-I71 VanDerWaalsContact C-N 3.33Å; A69-I71 PolarHBondContact O-N 3.42Å; I71-H73 PolarHBondContact O-N 2.67Å; I71-K74 WeakPolarHBondContact O-CB 3.26Å; I71-K74 PolarHBondContact O-N 2.82Å; I71-S75 WeakPolarHBondContact O-CB 3.48Å; I71-S75 PolarHBondContact O-N 3.37Å; I71-S75 PolarHBondContact O-OG 3.28Å; I71-S75 VanDerWaalsContact O-OG 3.12Å; I71-R97 VanDerWaalsContact CG2-CZ 3.45Å; I71-R97 VanDerWaalsContact CG2-NH1 3.34Å
72	L	88.1	Confident	75.2	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-61.7	-43.1	178.8	-73.8	165.3	0	0	0	111.5	L68 A69 K74 S75 Y76 E94 R97 L98 L101 F403	L68-L72 HydrophobicContact CD1-CD1 4.49Å; L68-L72 HydrophobicContact CG-CD1 4.15Å; L68-L72 WeakPolarHBondContact O-CB 3.34Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 2.82Å; L68-L72 PolarHBondContact O-N 3.17Å; A69-L72 PolarHBondContact O-N 3.27Å; L72-K74 VanDerWaalsContact C-N 3.3Å; L72-K74 PolarHBondContact O-N 3.34Å; L72-S75 CarbonylContact O-C 3.41Å; L72-S75 PolarHBondContact O-N 2.74Å; L72-S75 VanDerWaalsContact O-N 3.15Å; L72-Y76 HydrophobicContact CD2-CE2 4Å; L72-Y76 WeakPolarHBondContact O-CD2 3.27Å; L72-Y76 PolarHBondContact O-N 3.22Å; L72-E94 HydrophobicContact CD2-CB 3.9Å; L72-R97 HydrophobicContact CD1-CB 4.42Å; L72-R97 HydrophobicContact CD2-CB 3.81Å; L72-R97 HydrophobicContact CG-CB 4.22Å; L72-L98 HydrophobicContact CD1-CD2 3.89Å; L72-L98 HydrophobicContact CD1-CG 4.4Å; L72-L98 HydrophobicContact CD2-CD2 3.97Å; L72-L98 HydrophobicContact CD2-CG 3.9Å; L72-L101 HydrophobicContact CD1-CB 4.06Å; L72-L101 HydrophobicContact CD1-CD2 3.47Å; L72-L101 VanDerWaalsContact CD1-CD2 3.47Å; L72-L101 HydrophobicContact CD1-CG 4.39Å; L72-F403 HydrophobicContact CB-CB 4.1Å; L72-F403 HydrophobicContact CB-CD1 4.1Å; L72-F403 HydrophobicContact CB-CD2 4.31Å; L72-F403 HydrophobicContact CB-CG 3.95Å; L72-F403 HydrophobicContact CD1-CD1 4.32Å
73	H	85.6	Confident	74.4	Confident	73 Å²	73	69.6 Å²	69.6	34%	0.338	36%	0.359	S	S	.	.	H	α-helix	trans	-54.3	-49.8	174.9	-173.9	68.8	0	0	0	110.7	A69 I71 Y76 S77 F403	A69-H73 WeakPolarHBondContact O-CB 3.18Å; A69-H73 PolarHBondContact O-N 2.79Å; I71-H73 PolarHBondContact O-N 2.67Å; H73-Y76 PolarHBondContact O-N 3.17Å; H73-S77 VanDerWaalsContact O-CB 3.22Å; H73-S77 WeakPolarHBondContact O-CB 3.23Å; H73-S77 PolarHBondContact O-N 2.98Å; H73-S77 PolarHBondContact O-OG 2.82Å; H73-F403 HydrophobicContact CB-CB 4.27Å; H73-F403 WeakPolarHBondContact CB-O 3.48Å; H73-F403 PolarHBondContact ND1-O 3.46Å
74	K	83.6	Confident	73	Confident	148 Å²	148	69 Å²	69	64%	0.643	35%	0.354	S	S	*	.	H	α-helix	trans	-62.6	-43.7	177.8	-174.3	-179.2	179.8	-177.6	0	111.7	M70 I71 L72 Y76 T78	M70-K74 WeakPolarHBondContact O-CB 3.47Å; M70-K74 PolarHBondContact O-N 3.25Å; I71-K74 WeakPolarHBondContact O-CB 3.26Å; I71-K74 PolarHBondContact O-N 2.82Å; L72-K74 VanDerWaalsContact C-N 3.3Å; L72-K74 PolarHBondContact O-N 3.34Å; K74-Y76 PolarHBondContact O-N 3.49Å; K74-T78 HydrophobicContact CG-CG2 4.33Å; K74-T78 PolarHBondContact O-N 3.27Å; K74-T78 PolarHBondContact O-OG1 3.39Å
75	S	80.3	Confident	71	Confident	28 Å²	28	73 Å²	73	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-63.2	-26.1	178.6	-67.6	0	0	0	0	112.9	I71 L72 R90 E94	I71-S75 WeakPolarHBondContact O-CB 3.48Å; I71-S75 PolarHBondContact O-N 3.37Å; I71-S75 PolarHBondContact O-OG 3.28Å; I71-S75 VanDerWaalsContact O-OG 3.12Å; L72-S75 CarbonylContact O-C 3.41Å; L72-S75 PolarHBondContact O-N 2.74Å; L72-S75 VanDerWaalsContact O-N 3.15Å; S75-R90 PolarHBondContact O-NH1 3.42Å; S75-E94 PolarHBondContact OG-OE2 3.16Å
76	Y	81.6	Confident	69	Low	0 Å²	0	76.8 Å²	76.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-97	-49.6	175.5	-71.3	-69	0	0	0	112.2	L72 H73 K74 T78 R90 L98 F192 T201 L396 F403 Y406	L72-Y76 HydrophobicContact CD2-CE2 4Å; L72-Y76 WeakPolarHBondContact O-CD2 3.27Å; L72-Y76 PolarHBondContact O-N 3.22Å; H73-Y76 PolarHBondContact O-N 3.17Å; K74-Y76 PolarHBondContact O-N 3.49Å; Y76-T78 VanDerWaalsContact C-N 3.34Å; Y76-T78 PolarHBondContact O-N 3.36Å; Y76-R90 HydrophobicContact CE1-CB 4.42Å; Y76-R90 PolarHBondContact O-NH1 3.12Å; Y76-L98 HydrophobicContact CE2-CD1 4.46Å; Y76-L98 HydrophobicContact CE2-CD2 4.42Å; Y76-L98 VanDerWaalsContact OH-CD1 3.31Å; Y76-L98 WeakPolarHBondContact OH-CD1 3.16Å; Y76-F192 HydrophobicContact CD1-CE1 4.27Å; Y76-T201 HydrophobicContact CD1-CG2 4.39Å; Y76-T201 HydrophobicContact CE1-CG2 3.91Å; Y76-L396 HydrophobicContact CE2-CD2 4.46Å; Y76-F403 HydrophobicContact CD2-CD2 4.43Å; Y76-F403 AromaticContact CD2-CE2 3.67Å; Y76-F403 HydrophobicContact CD2-CE2 3.67Å; Y76-F403 AromaticContact CD2-CZ 3.92Å; Y76-F403 HydrophobicContact CD2-CZ 3.92Å; Y76-F403 HydrophobicContact CE2-CE2 4.33Å; Y76-F403 HydrophobicContact CE2-CZ 4.11Å; Y76-F403 HydrophobicContact CG-CE2 4.37Å; Y76-Y406 HydrophobicContact CD1-CD1 4.11Å; Y76-Y406 HydrophobicContact CD1-CE1 4.37Å; Y76-Y406 HydrophobicContact CG-CD1 4.36Å; Y76-Y406 HydrophobicContact CG-CG 4.49Å; Y76-Y406 WeakPolarHBondContact O-CD2 3.23Å; Y76-Y406 WeakPolarHBondContact O-CE2 3.18Å
77	S	71.9	Confident	66.9	Low	50 Å²	50	76 Å²	76	35%	0.35	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-23.3	-173.1	70.4	0	0	0	0	116.2	H73 I79	H73-S77 VanDerWaalsContact O-CB 3.22Å; H73-S77 WeakPolarHBondContact O-CB 3.23Å; H73-S77 PolarHBondContact O-N 2.98Å; H73-S77 PolarHBondContact O-OG 2.82Å; S77-I79 PolarHBondContact O-N 2.85Å
78	T	57	Low	64.9	Low	74 Å²	74	73.3 Å²	73.3	45%	0.454	36%	0.361	S	S	.	.			trans	-85.5	103.8	-178.7	51.6	0	0	0	0	112.1	K74 Y76 R90	K74-T78 HydrophobicContact CG-CG2 4.33Å; K74-T78 PolarHBondContact O-N 3.27Å; K74-T78 PolarHBondContact O-OG1 3.39Å; Y76-T78 VanDerWaalsContact C-N 3.34Å; Y76-T78 PolarHBondContact O-N 3.36Å; T78-R90 PolarHBondContact O-NH1 3.21Å; T78-R90 PolarHBondContact O-NH2 2.72Å
79	I	54.8	Low	63.4	Low	47 Å²	47	76 Å²	76	24%	0.241	38%	0.375	C	S	.	.			trans	-127	115.7	163.7	-63.8	176.6	0	0	0	110.2	S77 V84 Y406	S77-I79 PolarHBondContact O-N 2.85Å; I79-V84 HydrophobicContact CG2-CG2 3.9Å; I79-Y406 HydrophobicContact CD1-CE2 3.89Å; I79-Y406 WeakPolarHBondContact CD1-OH 3.49Å; I79-Y406 HydrophobicContact CG1-CE2 4.45Å
80	Y	48.6	Very low	62.3	Low	198 Å²	198	76.9 Å²	76.9	78%	0.776	38%	0.377	S	S	*	.			trans	-101.9	149.5	144.4	-72.6	-80.4	0	0	0	108.8	T82 S83	Y80-T82 PolarHBondContact O-N 2.95Å; Y80-S83 PolarHBondContact N-OG 3.01Å; Y80-S83 WeakPolarHBondContact O-CB 3.13Å; Y80-S83 PolarHBondContact O-N 2.92Å; Y80-S83 PolarHBondContact O-OG 3.42Å
81	E	47.8	Very low	61.6	Low	113 Å²	113	71.3 Å²	71.3	53%	0.528	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-30.5	-176.9	-76.1	174.7	-178.2	0	0	113.4	K410 R413	E81-K410 IonicContact OE1-NZ 2.81Å; E81-K410 PolarHBondContact OE1-NZ 3.39Å; E81-K410 VanDerWaalsContact OE1-NZ 3.08Å; E81-R413 IonicContact OE1-CZ 3.35Å; E81-R413 IonicContact OE1-NH1 3.79Å; E81-R413 PolarHBondContact OE1-NH1 3.03Å; E81-R413 IonicContact OE2-NH1 3.99Å
82	T	43.9	Very low	61	Low	111 Å²	111	73 Å²	73	68%	0.681	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.6	177.7	55.9	0	0	0	0	114.3	Y80	Y80-T82 PolarHBondContact O-N 2.95Å
83	S	43.6	Very low	60.3	Low	21 Å²	21	76 Å²	76	15%	0.147	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-28.8	-175.7	64.9	0	0	0	0	113.5	Y80 Q85 K86 Y87	Y80-S83 PolarHBondContact N-OG 3.01Å; Y80-S83 WeakPolarHBondContact O-CB 3.13Å; Y80-S83 PolarHBondContact O-N 2.92Å; Y80-S83 PolarHBondContact O-OG 3.42Å; S83-Q85 PolarHBondContact O-N 3.14Å; S83-K86 PolarHBondContact O-N 3.36Å; S83-Y87 WeakPolarHBondContact O-CD2 3.37Å; S83-Y87 PolarHBondContact O-N 2.89Å; S83-Y87 VanDerWaalsContact O-N 3.14Å
84	V	40.1	Very low	60.3	Low	28 Å²	28	73.2 Å²	73.2	17%	0.17	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.3	178.8	-179	0	0	0	0	111.1	I79 K86 D199	I79-V84 HydrophobicContact CG2-CG2 3.9Å; V84-K86 VanDerWaalsContact C-N 3.31Å; V84-K86 PolarHBondContact O-N 2.91Å; V84-D199 HydrophobicContact CG1-CB 3.46Å; V84-D199 VanDerWaalsContact CG1-CB 3.46Å; V84-D199 WeakPolarHBondContact CG1-OD2 3.43Å
85	Q	42.6	Very low	60.5	Low	149 Å²	149	68.9 Å²	68.9	70%	0.696	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-21.4	174.7	-68.1	-176.9	-13.3	0	0	113.7	S83	S83-Q85 PolarHBondContact O-N 3.14Å
86	K	45	Very low	61	Low	167 Å²	167	71.8 Å²	71.8	73%	0.726	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-29	179.9	-92.4	-172.5	174.5	-176.1	0	113.9	S83 V84	S83-K86 PolarHBondContact O-N 3.36Å; V84-K86 VanDerWaalsContact C-N 3.31Å; V84-K86 PolarHBondContact O-N 2.91Å
87	Y	43.8	Very low	61.4	Low	110 Å²	110	73.6 Å²	73.6	43%	0.431	37%	0.366	S	S	.	.			trans	-113.8	71.3	-175.1	-62.2	-78.1	0	0	0	110.9	S83 L89	S83-Y87 WeakPolarHBondContact O-CD2 3.37Å; S83-Y87 PolarHBondContact O-N 2.89Å; S83-Y87 VanDerWaalsContact O-N 3.14Å; Y87-L89 PolarHBondContact O-N 3.37Å
88	S	50.6	Low	62.3	Low	35 Å²	35	71.2 Å²	71.2	25%	0.245	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	6.1	-177.1	80.2	0	0	0	0	113.8	L198	S88-L198 CarbonylContact C-O 3.6Å
89	L	56.1	Low	63.9	Low	64 Å²	64	70.1 Å²	70.1	34%	0.335	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.2	45.2	-173.3	-69.8	173.5	0	0	0	110	Y87 F91 D92 V93 L198 Y203	Y87-L89 PolarHBondContact O-N 3.37Å; L89-F91 VanDerWaalsContact C-N 3.32Å; L89-F91 PolarHBondContact O-N 2.97Å; L89-D92 HydrophobicContact CB-CB 4.17Å; L89-D92 WeakPolarHBondContact CD2-OD2 3.48Å; L89-D92 PolarHBondContact O-N 3.34Å; L89-D92 VanDerWaalsContact O-N 3.14Å; L89-V93 HydrophobicContact CB-CG2 4.24Å; L89-V93 WeakPolarHBondContact O-CB 3.34Å; L89-V93 WeakPolarHBondContact O-CG2 3.24Å; L89-V93 PolarHBondContact O-N 3.44Å; L89-L198 HydrophobicContact CD2-CD1 4.15Å; L89-Y203 HydrophobicContact CD2-CD1 4.47Å
90	R	67	Low	65.6	Low	23 Å²	23	71.4 Å²	71.4	9%	0.087	34%	0.341	C	S	.	.	H	α-helix	trans	-54.4	-47	-172.2	-78.5	-164.2	-160.6	-143.7	2.2	112.2	S75 Y76 T78 V93 E94	S75-R90 PolarHBondContact O-NH1 3.42Å; Y76-R90 HydrophobicContact CE1-CB 4.42Å; Y76-R90 PolarHBondContact O-NH1 3.12Å; T78-R90 PolarHBondContact O-NH1 3.21Å; T78-R90 PolarHBondContact O-NH2 2.72Å; R90-V93 PolarHBondContact O-N 2.92Å; R90-E94 VanDerWaalsContact O-CB 3.3Å; R90-E94 WeakPolarHBondContact O-CB 3.45Å; R90-E94 WeakPolarHBondContact O-CG 2.83Å; R90-E94 PolarHBondContact O-N 2.82Å
91	F	75.3	Confident	67.7	Low	10 Å²	10	62 Å²	62	4%	0.044	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-52.2	176.7	-174.3	-88.7	0	0	0	110.8	L89 V93 E94 E95 L98 T201 A392 L395 L396	L89-F91 VanDerWaalsContact C-N 3.32Å; L89-F91 PolarHBondContact O-N 2.97Å; F91-V93 VanDerWaalsContact C-N 3.25Å; F91-V93 PolarHBondContact O-N 3.34Å; F91-E94 CarbonylContact O-C 3.53Å; F91-E94 PolarHBondContact O-N 2.73Å; F91-E95 HydrophobicContact CD1-CB 4.08Å; F91-E95 HydrophobicContact CD1-CG 4.24Å; F91-E95 HydrophobicContact CE1-CB 3.81Å; F91-E95 HydrophobicContact CE1-CG 3.47Å; F91-E95 VanDerWaalsContact CE1-CG 3.47Å; F91-E95 HydrophobicContact CZ-CB 4.32Å; F91-E95 HydrophobicContact CZ-CG 3.84Å; F91-E95 VanDerWaalsContact O-CA 3.26Å; F91-E95 WeakPolarHBondContact O-CA 3.41Å; F91-E95 WeakPolarHBondContact O-CB 3.43Å; F91-E95 PolarHBondContact O-N 3.18Å; F91-L98 HydrophobicContact CD2-CD1 3.61Å; F91-L98 HydrophobicContact CE2-CD1 3.36Å; F91-L98 HydrophobicContact CZ-CD1 4.28Å; F91-T201 WeakPolarHBondContact CB-O 3.46Å; F91-A392 HydrophobicContact CD1-CB 3.91Å; F91-A392 HydrophobicContact CD2-CB 3.96Å; F91-A392 HydrophobicContact CE1-CB 3.54Å; F91-A392 HydrophobicContact CE2-CB 3.58Å; F91-A392 HydrophobicContact CG-CB 4.11Å; F91-A392 VanDerWaalsContact CZ-CA 3.45Å; F91-A392 HydrophobicContact CZ-CB 3.37Å; F91-L395 HydrophobicContact CE2-CD2 4.16Å; F91-L395 HydrophobicContact CZ-CB 4.44Å; F91-L395 HydrophobicContact CZ-CD2 3.75Å; F91-L396 HydrophobicContact CD2-CD1 4.2Å; F91-L396 HydrophobicContact CD2-CG 4.27Å; F91-L396 HydrophobicContact CE2-CD1 4.41Å; F91-L396 HydrophobicContact CE2-CG 4.1Å
92	D	74	Confident	69.7	Low	83 Å²	83	57.2 Å²	57.2	44%	0.444	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-35.2	-178.3	-55.4	-4.9	0	0	0	112.7	L89	L89-D92 HydrophobicContact CB-CB 4.17Å; L89-D92 WeakPolarHBondContact CD2-OD2 3.48Å; L89-D92 PolarHBondContact O-N 3.34Å; L89-D92 VanDerWaalsContact O-N 3.14Å
93	V	72.4	Confident	72	Confident	65 Å²	65	54.8 Å²	54.8	39%	0.394	26%	0.264	S	S	.	.	H	α-helix	trans	-66.8	-40.6	175.2	173.9	0	0	0	0	111.2	L89 R90 F91	L89-V93 HydrophobicContact CB-CG2 4.24Å; L89-V93 WeakPolarHBondContact O-CB 3.34Å; L89-V93 WeakPolarHBondContact O-CG2 3.24Å; L89-V93 PolarHBondContact O-N 3.44Å; R90-V93 PolarHBondContact O-N 2.92Å; F91-V93 VanDerWaalsContact C-N 3.25Å; F91-V93 PolarHBondContact O-N 3.34Å
94	E	86.3	Confident	74.1	Confident	14 Å²	14	56.2 Å²	56.2	7%	0.065	27%	0.274	C	S	.	.	H	α-helix	trans	-99.8	2.1	-175.8	-58	-62.9	133.2	0	0	113.3	L72 S75 R90 F91 N96 R97 L98	L72-E94 HydrophobicContact CD2-CB 3.9Å; S75-E94 PolarHBondContact OG-OE2 3.16Å; R90-E94 VanDerWaalsContact O-CB 3.3Å; R90-E94 WeakPolarHBondContact O-CB 3.45Å; R90-E94 WeakPolarHBondContact O-CG 2.83Å; R90-E94 PolarHBondContact O-N 2.82Å; F91-E94 CarbonylContact O-C 3.53Å; F91-E94 PolarHBondContact O-N 2.73Å; E94-N96 VanDerWaalsContact C-N 3.32Å; E94-N96 PolarHBondContact O-N 2.84Å; E94-R97 CarbonylContact O-C 3.56Å; E94-R97 WeakPolarHBondContact O-CA 2.85Å; E94-R97 WeakPolarHBondContact O-CB 3.31Å; E94-R97 PolarHBondContact O-N 2.84Å; E94-R97 IonicContact OE1-NH1 3.81Å; E94-R97 PolarHBondContact OE1-NH1 2.94Å; E94-R97 WeakPolarHBondContact OE2-CD 3.22Å; E94-R97 IonicContact OE2-CZ 3.24Å; E94-R97 IonicContact OE2-NE 2.63Å; E94-R97 IonicContact OE2-NH1 3.93Å; E94-R97 PolarHBondContact OE2-NH1 3.25Å; E94-L98 PolarHBondContact O-N 2.91Å
95	E	87.8	Confident	76.2	Confident	56 Å²	56	56.9 Å²	56.9	26%	0.262	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-42.7	-172.3	-178.2	-177.3	-175.6	0	0	109.7	F91 R97 L98 K99 L395	F91-E95 HydrophobicContact CD1-CB 4.08Å; F91-E95 HydrophobicContact CD1-CG 4.24Å; F91-E95 HydrophobicContact CE1-CB 3.81Å; F91-E95 HydrophobicContact CE1-CG 3.47Å; F91-E95 VanDerWaalsContact CE1-CG 3.47Å; F91-E95 HydrophobicContact CZ-CB 4.32Å; F91-E95 HydrophobicContact CZ-CG 3.84Å; F91-E95 VanDerWaalsContact O-CA 3.26Å; F91-E95 WeakPolarHBondContact O-CA 3.41Å; F91-E95 WeakPolarHBondContact O-CB 3.43Å; F91-E95 PolarHBondContact O-N 3.18Å; E95-R97 PolarHBondContact O-N 3.45Å; E95-L98 PolarHBondContact O-N 3.36Å; E95-K99 HydrophobicContact CG-CD 4.18Å; E95-K99 HydrophobicContact CG-CG 4.43Å; E95-K99 WeakPolarHBondContact O-CB 3.37Å; E95-K99 WeakPolarHBondContact O-CG 3.35Å; E95-K99 PolarHBondContact O-N 2.69Å; E95-K99 WeakPolarHBondContact OE1-CE 3.32Å; E95-K99 IonicContact OE1-NZ 3.34Å; E95-K99 PolarHBondContact OE1-NZ 3.43Å; E95-K99 IonicContact OE2-NZ 3.16Å; E95-L395 HydrophobicContact CG-CD2 4.45Å
96	N	90.1	Very high	77.5	Confident	89 Å²	89	54.7 Å²	54.7	48%	0.476	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-29.2	176.3	-71.3	-31.1	0	0	0	112.5	E94 R100	E94-N96 VanDerWaalsContact C-N 3.32Å; E94-N96 PolarHBondContact O-N 2.84Å; N96-R100 WeakPolarHBondContact O-CG 3.42Å; N96-R100 PolarHBondContact O-N 3.1Å; N96-R100 PolarHBondContact O-NE 3.38Å
97	R	90.2	Very high	78.4	Confident	38 Å²	38	52 Å²	52	14%	0.143	27%	0.266	C	S	.	.	H	α-helix	trans	-76.6	-42.1	174.1	-77.4	171.3	167.4	166.1	1.2	110.7	L68 I71 L72 E94 E95 K99 R100 L101	L68-R97 HydrophobicContact CD1-CB 3.63Å; L68-R97 HydrophobicContact CD1-CG 3.68Å; L68-R97 WeakPolarHBondContact CD2-O 3.47Å; I71-R97 VanDerWaalsContact CG2-CZ 3.45Å; I71-R97 VanDerWaalsContact CG2-NH1 3.34Å; L72-R97 HydrophobicContact CD1-CB 4.42Å; L72-R97 HydrophobicContact CD2-CB 3.81Å; L72-R97 HydrophobicContact CG-CB 4.22Å; E94-R97 CarbonylContact O-C 3.56Å; E94-R97 WeakPolarHBondContact O-CA 2.85Å; E94-R97 WeakPolarHBondContact O-CB 3.31Å; E94-R97 PolarHBondContact O-N 2.84Å; E94-R97 IonicContact OE1-NH1 3.81Å; E94-R97 PolarHBondContact OE1-NH1 2.94Å; E94-R97 WeakPolarHBondContact OE2-CD 3.22Å; E94-R97 IonicContact OE2-CZ 3.24Å; E94-R97 IonicContact OE2-NE 2.63Å; E94-R97 IonicContact OE2-NH1 3.93Å; E94-R97 PolarHBondContact OE2-NH1 3.25Å; E95-R97 PolarHBondContact O-N 3.45Å; R97-K99 PolarHBondContact O-N 3.48Å; R97-R100 PolarHBondContact O-N 3.38Å; R97-L101 PolarHBondContact O-N 2.65Å
98	L	90.5	Very high	79.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-40.9	173.5	-74.2	172.8	0	0	0	112.7	L72 Y76 F91 E94 E95 L101 F102 L395 L396 T399 F403	L72-L98 HydrophobicContact CD1-CD2 3.89Å; L72-L98 HydrophobicContact CD1-CG 4.4Å; L72-L98 HydrophobicContact CD2-CD2 3.97Å; L72-L98 HydrophobicContact CD2-CG 3.9Å; Y76-L98 HydrophobicContact CE2-CD1 4.46Å; Y76-L98 HydrophobicContact CE2-CD2 4.42Å; Y76-L98 VanDerWaalsContact OH-CD1 3.31Å; Y76-L98 WeakPolarHBondContact OH-CD1 3.16Å; F91-L98 HydrophobicContact CD2-CD1 3.61Å; F91-L98 HydrophobicContact CE2-CD1 3.36Å; F91-L98 HydrophobicContact CZ-CD1 4.28Å; E94-L98 PolarHBondContact O-N 2.91Å; E95-L98 PolarHBondContact O-N 3.36Å; L98-L101 PolarHBondContact O-N 2.87Å; L98-F102 WeakPolarHBondContact O-CB 3.42Å; L98-F102 PolarHBondContact O-N 3.34Å; L98-L395 HydrophobicContact CB-CD2 3.56Å; L98-L395 HydrophobicContact CB-CG 3.97Å; L98-L395 HydrophobicContact CD1-CD2 4.39Å; L98-L396 HydrophobicContact CD1-CD2 3.63Å; L98-L396 HydrophobicContact CD1-CG 4.28Å; L98-L396 HydrophobicContact CD2-CD2 4.04Å; L98-T399 WeakPolarHBondContact CD2-OG1 3.31Å; L98-F403 HydrophobicContact CD2-CE1 3.69Å; L98-F403 HydrophobicContact CD2-CZ 4.29Å
99	K	92.1	Very high	80.5	Confident	51 Å²	51	52.9 Å²	52.9	22%	0.222	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-46	175.1	-74.7	174.6	178.7	161.1	0	111.5	E95 R97 L101 F102 D103 Y132 L395	E95-K99 HydrophobicContact CG-CD 4.18Å; E95-K99 HydrophobicContact CG-CG 4.43Å; E95-K99 WeakPolarHBondContact O-CB 3.37Å; E95-K99 WeakPolarHBondContact O-CG 3.35Å; E95-K99 PolarHBondContact O-N 2.69Å; E95-K99 WeakPolarHBondContact OE1-CE 3.32Å; E95-K99 IonicContact OE1-NZ 3.34Å; E95-K99 PolarHBondContact OE1-NZ 3.43Å; E95-K99 IonicContact OE2-NZ 3.16Å; R97-K99 PolarHBondContact O-N 3.48Å; K99-L101 PolarHBondContact O-N 3.31Å; K99-F102 WeakPolarHBondContact O-CB 3.25Å; K99-F102 PolarHBondContact O-N 3.02Å; K99-D103 PolarHBondContact O-N 3.05Å; K99-Y132 HydrophobicContact CB-CD1 4.26Å; K99-Y132 HydrophobicContact CB-CE1 3.94Å; K99-Y132 HydrophobicContact CD-CD1 4.48Å; K99-Y132 HydrophobicContact CD-CG 4.48Å; K99-Y132 HydrophobicContact CG-CD1 3.8Å; K99-Y132 HydrophobicContact CG-CE1 4Å; K99-Y132 HydrophobicContact CG-CG 4.25Å; K99-L395 HydrophobicContact CG-CD2 3.95Å
100	R	90.8	Very high	82.1	Confident	74 Å²	74	52.4 Å²	52.4	28%	0.279	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-43.6	174.8	-79.8	-175.4	-81.2	-177.9	-11	112.3	I58 D60 L68 N96 R97 F102 D103 S104	I58-R100 PolarHBondContact O-NH1 3.03Å; I58-R100 PolarHBondContact O-NH2 3.11Å; D60-R100 PolarHBondContact O-NH1 3.15Å; D60-R100 VanDerWaalsContact O-NH1 3.08Å; L68-R100 HydrophobicContact CD2-CB 3.63Å; N96-R100 WeakPolarHBondContact O-CG 3.42Å; N96-R100 PolarHBondContact O-N 3.1Å; N96-R100 PolarHBondContact O-NE 3.38Å; R97-R100 PolarHBondContact O-N 3.38Å; R100-F102 VanDerWaalsContact C-N 3.33Å; R100-D103 PolarHBondContact O-N 3.13Å; R100-S104 PolarHBondContact O-N 3.5Å
101	L	90.9	Very high	83.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-40.9	177.8	-177.5	59.5	0	0	0	110.9	E65 L68 L72 R97 L98 K99 D103 S104 L105 T399 A402 F403	E65-L101 HydrophobicContact CG-CD1 3.62Å; L68-L101 HydrophobicContact CD2-CB 3.66Å; L68-L101 HydrophobicContact CD2-CD1 4.46Å; L68-L101 VanDerWaalsContact CD2-N 3.28Å; L68-L101 HydrophobicContact CG-CB 4.09Å; L72-L101 HydrophobicContact CD1-CB 4.06Å; L72-L101 HydrophobicContact CD1-CD2 3.47Å; L72-L101 VanDerWaalsContact CD1-CD2 3.47Å; L72-L101 HydrophobicContact CD1-CG 4.39Å; R97-L101 PolarHBondContact O-N 2.65Å; L98-L101 PolarHBondContact O-N 2.87Å; K99-L101 PolarHBondContact O-N 3.31Å; L101-D103 VanDerWaalsContact C-N 3.32Å; L101-D103 PolarHBondContact O-N 2.95Å; L101-S104 PolarHBondContact O-N 3.16Å; L101-S104 PolarHBondContact O-OG 3.5Å; L101-L105 HydrophobicContact CD1-CD1 4.3Å; L101-L105 HydrophobicContact CD1-CG 4.35Å; L101-L105 HydrophobicContact CG-CD1 4.04Å; L101-L105 WeakPolarHBondContact O-CB 3.41Å; L101-L105 WeakPolarHBondContact O-CD1 3.43Å; L101-L105 WeakPolarHBondContact O-CG 3.41Å; L101-L105 PolarHBondContact O-N 3.2Å; L101-T399 HydrophobicContact CB-CG2 4.32Å; L101-T399 HydrophobicContact CD2-CG2 4.34Å; L101-T399 HydrophobicContact CG-CG2 4.2Å; L101-A402 HydrophobicContact CD1-CB 4.3Å; L101-A402 HydrophobicContact CD2-CB 4.23Å; L101-F403 HydrophobicContact CD2-CD1 3.79Å
102	F	91.6	Very high	84.4	Confident	13 Å²	13	55.2 Å²	55.2	6%	0.057	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-40.6	175.6	178.2	-101.5	0	0	0	112.5	L98 K99 R100 K107 Y132 A133 L395 H398 T399	L98-F102 WeakPolarHBondContact O-CB 3.42Å; L98-F102 PolarHBondContact O-N 3.34Å; K99-F102 WeakPolarHBondContact O-CB 3.25Å; K99-F102 PolarHBondContact O-N 3.02Å; R100-F102 VanDerWaalsContact C-N 3.33Å; F102-K107 HydrophobicContact CD1-CG 4.22Å; F102-K107 HydrophobicContact CE1-CB 4.11Å; F102-K107 HydrophobicContact CE1-CD 4.3Å; F102-K107 HydrophobicContact CE1-CG 3.77Å; F102-K107 HydrophobicContact CZ-CB 4.16Å; F102-K107 HydrophobicContact CZ-CG 4.32Å; F102-K107 PolarHBondContact O-N 2.84Å; F102-Y132 AromaticContact CD1-CD1 3.89Å; F102-Y132 HydrophobicContact CD1-CD1 3.89Å; F102-Y132 AromaticContact CD1-CE1 3.73Å; F102-Y132 HydrophobicContact CD1-CE1 3.73Å; F102-Y132 HydrophobicContact CE1-CD1 4.32Å; F102-Y132 HydrophobicContact CE1-CE1 4.35Å; F102-A133 HydrophobicContact CD2-CB 4.16Å; F102-A133 HydrophobicContact CE1-CB 4.14Å; F102-A133 HydrophobicContact CE2-CB 3.71Å; F102-A133 HydrophobicContact CZ-CB 3.69Å; F102-L395 HydrophobicContact CB-CD1 3.61Å; F102-L395 HydrophobicContact CD1-CD1 4.38Å; F102-L395 HydrophobicContact CD2-CD1 4.21Å; F102-L395 HydrophobicContact CG-CD1 3.81Å; F102-H398 HydrophobicContact CD2-CB 3.58Å; F102-H398 HydrophobicContact CE2-CB 3.59Å; F102-H398 AromaticContact CE2-CG 3.65Å; F102-T399 HydrophobicContact CB-CG2 3.8Å; F102-T399 HydrophobicContact CD2-CG2 4.46Å
103	D	90.4	Very high	85.6	Confident	61 Å²	61	52.8 Å²	52.8	33%	0.326	29%	0.289	S	S	.	.	H	α-helix	trans	-67.9	-40.3	175.7	-68.7	-37.6	0	0	0	112.4	K99 R100 L101 L105 S106 K107 Y132	K99-D103 PolarHBondContact O-N 3.05Å; R100-D103 PolarHBondContact O-N 3.13Å; L101-D103 VanDerWaalsContact C-N 3.32Å; L101-D103 PolarHBondContact O-N 2.95Å; D103-L105 VanDerWaalsContact C-N 3.31Å; D103-L105 PolarHBondContact O-N 3.1Å; D103-S106 PolarHBondContact O-N 3.21Å; D103-K107 WeakPolarHBondContact OD1-CE 3.38Å; D103-K107 IonicContact OD1-NZ 3Å; D103-Y132 PolarHBondContact OD1-OH 3.27Å; D103-Y132 PolarHBondContact OD2-OH 3.33Å
104	S	88	Confident	86.8	Confident	50 Å²	50	49.7 Å²	49.7	35%	0.35	27%	0.27	S	S	.	.	H	α-helix	trans	-66.6	-33.4	179	74.9	0	0	0	0	112.4	R100 L101 S106	R100-S104 PolarHBondContact O-N 3.5Å; L101-S104 PolarHBondContact O-N 3.16Å; L101-S104 PolarHBondContact O-OG 3.5Å; S104-S106 PolarHBondContact O-N 3.01Å
105	L	85.2	Confident	87.3	Confident	43 Å²	43	49 Å²	49	23%	0.225	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	18.9	173.1	-66.8	169.7	0	0	0	113.5	E65 L101 D103 K107 N108 T399 A402	E65-L105 VanDerWaalsContact CD-CD2 3.45Å; E65-L105 HydrophobicContact CG-CD2 4.3Å; E65-L105 WeakPolarHBondContact OE1-CD2 3.43Å; L101-L105 HydrophobicContact CD1-CD1 4.3Å; L101-L105 HydrophobicContact CD1-CG 4.35Å; L101-L105 HydrophobicContact CG-CD1 4.04Å; L101-L105 WeakPolarHBondContact O-CB 3.41Å; L101-L105 WeakPolarHBondContact O-CD1 3.43Å; L101-L105 WeakPolarHBondContact O-CG 3.41Å; L101-L105 PolarHBondContact O-N 3.2Å; D103-L105 VanDerWaalsContact C-N 3.31Å; D103-L105 PolarHBondContact O-N 3.1Å; L105-K107 PolarHBondContact O-N 3.28Å; L105-N108 PolarHBondContact O-N 3.36Å; L105-T399 HydrophobicContact CD1-CG2 4.35Å; L105-A402 HydrophobicContact CD1-CB 3.91Å; L105-A402 HydrophobicContact CD2-CB 4.03Å
106	S	69.4	Low	87.6	Confident	103 Å²	103	47.4 Å²	47.4	72%	0.72	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	29.7	179.7	-59.4	0	0	0	0	114.1	D103 S104	D103-S106 PolarHBondContact O-N 3.21Å; S104-S106 PolarHBondContact O-N 3.01Å
107	K	64.5	Low	87.8	Confident	111 Å²	111	44.8 Å²	44.8	48%	0.483	24%	0.244	S	C	.	.			trans	46.3	65.1	-174.3	-60.2	-176.3	178	-178.4	0	110.8	F102 D103 L105 T109	F102-K107 HydrophobicContact CD1-CG 4.22Å; F102-K107 HydrophobicContact CE1-CB 4.11Å; F102-K107 HydrophobicContact CE1-CD 4.3Å; F102-K107 HydrophobicContact CE1-CG 3.77Å; F102-K107 HydrophobicContact CZ-CB 4.16Å; F102-K107 HydrophobicContact CZ-CG 4.32Å; F102-K107 PolarHBondContact O-N 2.84Å; D103-K107 WeakPolarHBondContact OD1-CE 3.38Å; D103-K107 IonicContact OD1-NZ 3Å; L105-K107 PolarHBondContact O-N 3.28Å; K107-T109 PolarHBondContact O-N 3.22Å
108	N	66	Low	87.7	Confident	57 Å²	57	43.5 Å²	43.5	31%	0.305	24%	0.243	S	C	.	.			trans	-31.1	121.4	-176.1	-170.7	-12.3	0	0	0	112.1	L105 S110	L105-N108 PolarHBondContact O-N 3.36Å; N108-S110 VanDerWaalsContact C-N 3.33Å; N108-S110 PolarHBondContact O-N 3.19Å; N108-S110 PolarHBondContact OD1-N 2.89Å; N108-S110 PolarHBondContact OD1-OG 3.41Å
109	T	71.4	Confident	87.2	Confident	106 Å²	106	48 Å²	48	65%	0.65	27%	0.274	S	S	*	.			trans	-80.8	-13.3	-165.8	51.8	0	0	0	0	114	K107 K135	K107-T109 PolarHBondContact O-N 3.22Å; T109-K135 WeakPolarHBondContact O-CD 3.48Å; T109-K135 PolarHBondContact O-NZ 3.17Å
110	S	90.5	Very high	86.8	Confident	54 Å²	54	48.2 Å²	48.2	38%	0.378	28%	0.276	S	S	.	.	S	Bend	trans	-74	144.3	-179.7	61.8	0	0	0	0	111.6	N108 H398	N108-S110 VanDerWaalsContact C-N 3.33Å; N108-S110 PolarHBondContact O-N 3.19Å; N108-S110 PolarHBondContact OD1-N 2.89Å; N108-S110 PolarHBondContact OD1-OG 3.41Å; S110-H398 PolarHBondContact O-CE1 2.98Å; S110-H398 VanDerWaalsContact O-CE1 3.25Å
111	V	95.2	Very high	86.4	Confident	81 Å²	81	51.5 Å²	51.5	49%	0.491	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-79.8	126.7	175.2	177	0	0	0	0	108.5	K135 T137	V111-K135 WeakPolarHBondContact CA-O 3.16Å; V111-T137 HydrophobicContact CG1-CG2 3.89Å
112	K	96.1	Very high	86.1	Confident	11 Å²	11	52.8 Å²	52.8	5%	0.048	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.6	173.5	-67.4	-68.1	176.8	-177.5	0	110.7	K135 C136 T137 D149 A397	K112-K135 PolarHBondContact N-O 3.38Å; K112-C136 CarbonylContact O-C 3.51Å; K112-C136 WeakPolarHBondContact O-CA 3.23Å; K112-T137 PolarHBondContact O-N 2.72Å; K112-D149 WeakPolarHBondContact CA-OD2 3.36Å; K112-D149 HydrophobicContact CB-CB 4.49Å; K112-D149 HydrophobicContact CD-CB 3.86Å; K112-D149 VanDerWaalsContact CD-CG 3.49Å; K112-D149 VanDerWaalsContact CD-OD1 3.31Å; K112-D149 WeakPolarHBondContact CD-OD1 3.49Å; K112-D149 IonicContact NZ-OD1 2.96Å; K112-D149 PolarHBondContact NZ-OD1 3.01Å; K112-A397 HydrophobicContact CB-CB 4.19Å; K112-A397 HydrophobicContact CG-CB 4.2Å
113	T	97.8	Very high	85.6	Confident	32 Å²	32	59.6 Å²	59.6	20%	0.196	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.1	-178.4	-58.5	0	0	0	0	110.3	T137 I139 D149 A150	T113-T137 HydrophobicContact CG2-CG2 4.14Å; T113-I139 HydrophobicContact CG2-CD1 3.82Å; T113-I139 HydrophobicContact CG2-CG1 3.84Å; T113-I139 HydrophobicContact CG2-CG2 4.17Å; T113-D149 PolarHBondContact N-OD2 3.43Å; T113-D149 PolarHBondContact O-N 3.49Å; T113-A150 PolarHBondContact O-N 3.03Å
114	F	97.7	Very high	85.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	147.5	166.1	-71.9	-97.8	0	0	0	109.9	F128 C136 T137 V138 I139 A150 I152 F170 M393 A397	F114-F128 HydrophobicContact CD2-CZ 4.32Å; F114-C136 HydrophobicContact CD2-CB 4.14Å; F114-C136 HydrophobicContact CE2-CB 3.93Å; F114-T137 WeakPolarHBondContact CB-O 3.17Å; F114-T137 PolarHBondContact N-O 3.24Å; F114-V138 HydrophobicContact CB-CG2 3.82Å; F114-V138 CarbonylContact O-C 3.38Å; F114-V138 VanDerWaalsContact O-CA 3.27Å; F114-V138 WeakPolarHBondContact O-CA 3.29Å; F114-I139 WeakPolarHBondContact O-CG1 3.42Å; F114-I139 PolarHBondContact O-N 2.63Å; F114-A150 CarbonylContact C-O 3.59Å; F114-A150 VanDerWaalsContact CA-O 3.23Å; F114-A150 WeakPolarHBondContact CA-O 3.43Å; F114-A150 HydrophobicContact CD1-CB 3.51Å; F114-A150 HydrophobicContact CE1-CB 3.55Å; F114-A150 HydrophobicContact CG-CB 4.15Å; F114-A150 HydrophobicContact CZ-CB 4.21Å; F114-I152 HydrophobicContact CB-CD1 4.03Å; F114-I152 HydrophobicContact CB-CG1 4.27Å; F114-I152 HydrophobicContact CD1-CD1 4.17Å; F114-I152 HydrophobicContact CD1-CG1 3.9Å; F114-I152 HydrophobicContact CG-CD1 4.44Å; F114-F170 AromaticContact CE1-CD2 3.97Å; F114-F170 HydrophobicContact CE1-CD2 3.97Å; F114-F170 AromaticContact CE1-CE2 3.69Å; F114-F170 HydrophobicContact CE1-CE2 3.69Å; F114-F170 HydrophobicContact CE1-CZ 4.17Å; F114-F170 HydrophobicContact CZ-CE2 4.39Å; F114-M393 HydrophobicContact CD1-CE 3.82Å; F114-M393 HydrophobicContact CE1-CB 3.97Å; F114-M393 HydrophobicContact CE1-CE 3.84Å; F114-M393 HydrophobicContact CZ-CB 3.85Å; F114-M393 WeakPolarHBondContact CZ-O 3.36Å; F114-A397 HydrophobicContact CE1-CB 4.5Å; F114-A397 HydrophobicContact CE2-CB 3.88Å; F114-A397 HydrophobicContact CZ-CB 3.53Å
115	L	96.8	Very high	85	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.8	170.4	-178.9	148.4	0	0	0	109.4	Y117 I139 E141 R144 W145 A148 A150 L151 I152	L115-Y117 HydrophobicContact CD2-CD2 3.7Å; L115-Y117 HydrophobicContact CD2-CG 4.22Å; L115-Y117 PolarHBondContact O-N 3.28Å; L115-Y117 VanDerWaalsContact O-N 3.11Å; L115-I139 WeakPolarHBondContact CA-O 3.43Å; L115-I139 HydrophobicContact CB-CD1 4.37Å; L115-I139 HydrophobicContact CB-CG1 3.86Å; L115-I139 HydrophobicContact CD1-CD1 3.78Å; L115-I139 HydrophobicContact CD1-CG1 3.92Å; L115-I139 HydrophobicContact CG-CD1 4.44Å; L115-I139 HydrophobicContact CG-CG1 4.04Å; L115-E141 WeakPolarHBondContact CD1-O 3.36Å; L115-R144 HydrophobicContact CD1-CB 4.22Å; L115-W145 HydrophobicContact CD1-CB 4.33Å; L115-W145 HydrophobicContact CD2-CB 4.38Å; L115-A148 HydrophobicContact CB-CB 3.68Å; L115-A150 PolarHBondContact N-O 3.1Å; L115-L151 HydrophobicContact CB-CD2 3.93Å; L115-L151 HydrophobicContact CD2-CD2 4.05Å; L115-I152 PolarHBondContact O-N 3.1Å
116	N	94.8	Very high	85.3	Confident	22 Å²	22	59.4 Å²	59.4	12%	0.118	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	104.9	169.8	-179.7	9.3	0	0	0	108.9	I122 V138 I139 T140 T154	N116-I122 HydrophobicContact CB-CD1 4.23Å; N116-V138 HydrophobicContact CB-CG1 4.47Å; N116-I139 PolarHBondContact N-O 3.25Å; N116-T140 HydrophobicContact CB-CG2 4.39Å; N116-T154 WeakPolarHBondContact OD1-CG2 3.44Å
117	Y	94.5	Very high	86.4	Confident	33 Å²	33	58.2 Å²	58.2	13%	0.129	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	101.7	-178	-164.4	-90.4	0	0	0	109.6	L115 M142 W145 I152 L153 T154 V157 K158 P159	L115-Y117 HydrophobicContact CD2-CD2 3.7Å; L115-Y117 HydrophobicContact CD2-CG 4.22Å; L115-Y117 PolarHBondContact O-N 3.28Å; L115-Y117 VanDerWaalsContact O-N 3.11Å; Y117-M142 HydrophobicContact CD2-CB 4.28Å; Y117-M142 HydrophobicContact CD2-CG 4.29Å; Y117-M142 HydrophobicContact CE2-CB 4.15Å; Y117-W145 HydrophobicContact CD2-CB 4.14Å; Y117-W145 HydrophobicContact CE2-CB 4.19Å; Y117-W145 HydrophobicContact CE2-CG 4.45Å; Y117-I152 PolarHBondContact N-O 3.21Å; Y117-L153 HydrophobicContact CD1-CD2 3.88Å; Y117-L153 HydrophobicContact CG-CD2 4.26Å; Y117-L153 WeakPolarHBondContact O-CA 3.22Å; Y117-T154 PolarHBondContact O-N 2.65Å; Y117-T154 VanDerWaalsContact O-N 3.17Å; Y117-V157 HydrophobicContact CD1-CG2 4.33Å; Y117-V157 HydrophobicContact CE1-CB 4.47Å; Y117-V157 HydrophobicContact CE1-CG2 4.06Å; Y117-K158 VanDerWaalsContact CE1-C 3.48Å; Y117-P159 HydrophobicContact CD1-CG 4.4Å; Y117-P159 HydrophobicContact CD2-CG 4.07Å; Y117-P159 HydrophobicContact CE1-CG 4.04Å; Y117-P159 HydrophobicContact CE2-CB 4.14Å; Y117-P159 HydrophobicContact CE2-CG 3.69Å; Y117-P159 HydrophobicContact CG-CG 4.42Å; Y117-P159 VanDerWaalsContact OH-CA 3.26Å; Y117-P159 WeakPolarHBondContact OH-CA 3.1Å
118	G	87	Confident	87.9	Confident	12 Å²	12	53.4 Å²	53.4	12%	0.124	29%	0.29	C	S	.	.	S	Bend	trans	139.9	169.7	-179	0	0	0	0	0	112.3	M142	G118-M142 PolarHBondContact N-SD 2.95Å
119	S	81.2	Confident	89.2	Confident	93 Å²	93	54.7 Å²	54.7	65%	0.65	30%	0.303	S	S	*	.	S	Bend	trans	-92.1	0.9	-177.4	47.1	0	0	0	0	114.2	K155	S119-K155 WeakPolarHBondContact OG-CE 3.4Å; S119-K155 PolarHBondContact OG-NZ 3.47Å
120	Q	83.4	Confident	90.2	Very high	57 Å²	57	58 Å²	58	27%	0.266	31%	0.309	S	S	.	.	S	Bend	trans	-85.6	129.8	-178.6	-167.5	65	26.7	0	0	110.3	I122 K155	Q120-I122 PolarHBondContact O-N 2.63Å; Q120-K155 HydrophobicContact CB-CG 4.28Å
121	K	81.6	Confident	90.3	Very high	142 Å²	142	56 Å²	56	62%	0.617	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-66.5	127.1	172.8	-175.3	174.2	-179.2	177.7	0	109.6	Y123	K121-Y123 HydrophobicContact CD-CD1 4.3Å; K121-Y123 HydrophobicContact CD-CE1 3.95Å; K121-Y123 HydrophobicContact CG-CE1 4.37Å
122	I	85.9	Confident	90.1	Very high	28 Å²	28	57.3 Å²	57.3	14%	0.144	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-81.3	118.3	167	-56.5	179.2	0	0	0	107	N116 Q120 M126 I152 T154 L172	N116-I122 HydrophobicContact CB-CD1 4.23Å; Q120-I122 PolarHBondContact O-N 2.63Å; I122-M126 HydrophobicContact CD1-CE 3.96Å; I122-M126 HydrophobicContact CG2-CE 3.55Å; I122-M126 HydrophobicContact CG2-CG 4.47Å; I122-I152 HydrophobicContact CD1-CB 4.5Å; I122-I152 HydrophobicContact CD1-CD1 4.23Å; I122-I152 HydrophobicContact CD1-CG2 3.91Å; I122-T154 HydrophobicContact CD1-CG2 3.88Å; I122-T154 HydrophobicContact CG1-CG2 3.77Å; I122-L172 HydrophobicContact CD1-CD1 4.46Å; I122-L172 HydrophobicContact CG2-CD1 4.35Å
123	Y	80.4	Confident	89.9	Confident	156 Å²	156	56.8 Å²	56.8	61%	0.612	29%	0.289	S	S	*	.			trans	-84.8	-28.5	-178.5	-66.9	-79.8	0	0	0	112.7	K121	K121-Y123 HydrophobicContact CD-CD1 4.3Å; K121-Y123 HydrophobicContact CD-CE1 3.95Å; K121-Y123 HydrophobicContact CG-CE1 4.37Å
124	T	81.1	Confident	89.7	Confident	11 Å²	11	58 Å²	58	7%	0.067	30%	0.299	C	S	.	.	S	Bend	trans	-65.9	127.9	174.1	-50.7	0	0	0	0	109.9	M126 P389	T124-M126 PolarHBondContact O-N 3.33Å; T124-P389 HydrophobicContact CG2-CG 4.24Å
125	P	84.6	Confident	89.6	Confident	96 Å²	96	62.2 Å²	62.2	62%	0.623	32%	0.317	S	S	*	.			trans	-57.8	123.6	172.8	-24	34.2	0	0	0	111.2	D127	P125-D127 PolarHBondContact O-N 2.89Å
126	M	91.1	Very high	89.6	Confident	43 Å²	43	62.9 Å²	62.9	21%	0.212	32%	0.322	C	S	.	.			trans	-84.6	53.2	173.5	-70.1	-70.2	173.2	0	0	110.7	I122 T124 F128 V138 I152 L172 Q390 M393	I122-M126 HydrophobicContact CD1-CE 3.96Å; I122-M126 HydrophobicContact CG2-CE 3.55Å; I122-M126 HydrophobicContact CG2-CG 4.47Å; T124-M126 PolarHBondContact O-N 3.33Å; M126-F128 HydrophobicContact CB-CE2 4.36Å; M126-F128 WeakPolarHBondContact O-CE2 3.26Å; M126-F128 HydrophobicContact SD-CZ 4.37Å; M126-V138 HydrophobicContact CB-CB 4.42Å; M126-V138 HydrophobicContact CB-CG2 3.81Å; M126-V138 HydrophobicContact CG-CG2 4.03Å; M126-V138 HydrophobicContact SD-CG2 4.35Å; M126-I152 HydrophobicContact CE-CD1 4.16Å; M126-I152 HydrophobicContact SD-CD1 4.49Å; M126-L172 HydrophobicContact CE-CD1 3.76Å; M126-Q390 HydrophobicContact SD-CB 3.71Å; M126-M393 HydrophobicContact CE-CE 4.04Å; M126-M393 HydrophobicContact CE-SD 4.08Å; M126-M393 HydrophobicContact SD-CE 4.22Å; M126-M393 HydrophobicContact SD-SD 4.38Å
127	D	93.5	Very high	89.7	Confident	78 Å²	78	64.7 Å²	64.7	42%	0.417	33%	0.333	S	S	.	.			trans	-96.6	114.3	175.8	178.5	11.3	0	0	0	109.7	P125 S129 Q390	P125-D127 PolarHBondContact O-N 2.89Å; D127-S129 VanDerWaalsContact CG-OG 3.27Å; D127-S129 WeakPolarHBondContact OD1-CB 3.42Å; D127-S129 PolarHBondContact OD1-N 3.35Å; D127-S129 PolarHBondContact OD1-OG 2.96Å; D127-S129 PolarHBondContact OD2-OG 3.25Å; D127-S129 VanDerWaalsContact OD2-OG 3.12Å; D127-Q390 WeakPolarHBondContact O-CG 3.42Å; D127-Q390 PolarHBondContact O-NE2 3.28Å
128	F	95.4	Very high	89.8	Confident	9 Å²	9	65 Å²	65	4%	0.039	34%	0.338	C	S	.	.			trans	-94.9	-3.8	-179.3	-54.5	-85.5	0	0	0	113.2	F114 M126 K130 C131 S134 C136 V138 Q390 C394	F114-F128 HydrophobicContact CD2-CZ 4.32Å; M126-F128 HydrophobicContact CB-CE2 4.36Å; M126-F128 WeakPolarHBondContact O-CE2 3.26Å; M126-F128 HydrophobicContact SD-CZ 4.37Å; F128-K130 PolarHBondContact O-N 3.24Å; F128-K130 VanDerWaalsContact O-N 3.11Å; F128-C131 WeakPolarHBondContact O-CB 3.23Å; F128-C131 PolarHBondContact O-N 2.93Å; F128-S134 WeakPolarHBondContact CB-O 3.34Å; F128-S134 VanDerWaalsContact O-CA 3.28Å; F128-S134 WeakPolarHBondContact O-CA 3.44Å; F128-S134 WeakPolarHBondContact O-CB 3.4Å; F128-C136 HydrophobicContact CB-CB 4.46Å; F128-C136 HydrophobicContact CD1-CB 3.77Å; F128-C136 HydrophobicContact CD2-CB 3.91Å; F128-C136 WeakPolarHBondContact CD2-O 3.43Å; F128-C136 HydrophobicContact CE1-CB 3.84Å; F128-C136 HydrophobicContact CE2-CB 4.03Å; F128-C136 HydrophobicContact CG-CB 3.78Å; F128-C136 HydrophobicContact CZ-CB 3.99Å; F128-V138 HydrophobicContact CE2-CG2 3.87Å; F128-V138 HydrophobicContact CZ-CG2 3.94Å; F128-Q390 HydrophobicContact CD1-CB 4.04Å; F128-Q390 HydrophobicContact CD1-CG 4.2Å; F128-Q390 WeakPolarHBondContact CD1-O 3.45Å; F128-Q390 HydrophobicContact CE1-CB 3.62Å; F128-Q390 HydrophobicContact CE1-CG 4.27Å; F128-Q390 WeakPolarHBondContact CE1-O 2.87Å; F128-Q390 HydrophobicContact CZ-CB 4.17Å; F128-C394 HydrophobicContact CD1-CB 3.64Å; F128-C394 HydrophobicContact CE1-CB 3.94Å
129	S	93.5	Very high	90.2	Very high	84 Å²	84	65.5 Å²	65.5	59%	0.587	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.5	-171.7	63.7	0	0	0	0	113.9	D127	D127-S129 VanDerWaalsContact CG-OG 3.27Å; D127-S129 WeakPolarHBondContact OD1-CB 3.42Å; D127-S129 PolarHBondContact OD1-N 3.35Å; D127-S129 PolarHBondContact OD1-OG 2.96Å; D127-S129 PolarHBondContact OD2-OG 3.25Å; D127-S129 VanDerWaalsContact OD2-OG 3.12Å
130	K	91.6	Very high	90.8	Very high	177 Å²	177	65.4 Å²	65.4	77%	0.77	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	0.2	179.7	-60.5	-177.4	-176.9	176.5	0	113.9	F128	F128-K130 PolarHBondContact O-N 3.24Å; F128-K130 VanDerWaalsContact O-N 3.11Å
131	C	93.5	Very high	91.2	Very high	10 Å²	10	66.5 Å²	66.5	7%	0.068	34%	0.339	C	S	.	.	S	Bend	trans	-82.3	153.2	-178	-60.6	0	0	0	0	111.9	F128 A133 C391	F128-C131 WeakPolarHBondContact O-CB 3.23Å; F128-C131 PolarHBondContact O-N 2.93Å; C131-A133 WeakPolarHBondContact CB-O 3.28Å; C131-C391 WeakPolarHBondContact CA-SG 3.21Å; C131-C391 HydrophobicContact CB-CB 3.61Å; C131-C391 WeakPolarHBondContact CB-SG 3.02Å; C131-C391 WeakPolarHBondContact SG-CA 3.48Å; C131-C391 WeakPolarHBondContact SG-CB 3.29Å; C131-C391 CovalentContact SG-SG 2.04Å; C131-C391 PolarHBondContact SG-SG 3.37Å
132	Y	91.5	Very high	91.8	Very high	110 Å²	110	63.3 Å²	63.3	43%	0.431	33%	0.327	S	S	.	.	S	Bend	trans	-58.2	-50.2	176.2	-170.1	-102.1	0	0	0	111.9	K99 F102 D103 L395	K99-Y132 HydrophobicContact CB-CD1 4.26Å; K99-Y132 HydrophobicContact CB-CE1 3.94Å; K99-Y132 HydrophobicContact CD-CD1 4.48Å; K99-Y132 HydrophobicContact CD-CG 4.48Å; K99-Y132 HydrophobicContact CG-CD1 3.8Å; K99-Y132 HydrophobicContact CG-CE1 4Å; K99-Y132 HydrophobicContact CG-CG 4.25Å; F102-Y132 AromaticContact CD1-CD1 3.89Å; F102-Y132 HydrophobicContact CD1-CD1 3.89Å; F102-Y132 AromaticContact CD1-CE1 3.73Å; F102-Y132 HydrophobicContact CD1-CE1 3.73Å; F102-Y132 HydrophobicContact CE1-CD1 4.32Å; F102-Y132 HydrophobicContact CE1-CE1 4.35Å; D103-Y132 PolarHBondContact OD1-OH 3.27Å; D103-Y132 PolarHBondContact OD2-OH 3.33Å; Y132-L395 HydrophobicContact CD1-CD1 4.33Å
133	A	91.9	Very high	92.1	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	-92.6	115.2	160.1	0	0	0	0	0	107.6	F102 C131 C394 L395	F102-A133 HydrophobicContact CD2-CB 4.16Å; F102-A133 HydrophobicContact CE1-CB 4.14Å; F102-A133 HydrophobicContact CE2-CB 3.71Å; F102-A133 HydrophobicContact CZ-CB 3.69Å; C131-A133 WeakPolarHBondContact CB-O 3.28Å; A133-C394 HydrophobicContact CB-CB 4.4Å; A133-C394 WeakPolarHBondContact O-CB 3.5Å; A133-C394 PolarHBondContact O-SG 3.44Å; A133-L395 HydrophobicContact CB-CB 4.33Å; A133-L395 HydrophobicContact CB-CD1 4.05Å
134	S	93.3	Very high	92.9	Very high	57 Å²	57	66.1 Å²	66.1	40%	0.399	34%	0.341	S	S	.	.			trans	-114.6	-10.7	-173.1	56.4	0	0	0	0	114.3	F128 C136	F128-S134 WeakPolarHBondContact CB-O 3.34Å; F128-S134 VanDerWaalsContact O-CA 3.28Å; F128-S134 WeakPolarHBondContact O-CA 3.44Å; F128-S134 WeakPolarHBondContact O-CB 3.4Å; S134-C136 PolarHBondContact O-N 2.75Å
135	K	95.2	Very high	93.6	Very high	89 Å²	89	66.4 Å²	66.4	39%	0.387	34%	0.341	S	S	.	.			trans	-82.4	63.9	-178.7	-67.8	-173.5	175.2	-177.3	0	111.7	T109 V111 K112 H398	T109-K135 WeakPolarHBondContact O-CD 3.48Å; T109-K135 PolarHBondContact O-NZ 3.17Å; V111-K135 WeakPolarHBondContact CA-O 3.16Å; K112-K135 PolarHBondContact N-O 3.38Å; K135-H398 PolarHBondContact O-NE2 2.93Å
136	C	96.9	Very high	94.2	Very high	14 Å²	14	66.6 Å²	66.6	10%	0.095	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.1	173.3	-63.4	0	0	0	0	110.4	K112 F114 F128 S134 C394	K112-C136 CarbonylContact O-C 3.51Å; K112-C136 WeakPolarHBondContact O-CA 3.23Å; F114-C136 HydrophobicContact CD2-CB 4.14Å; F114-C136 HydrophobicContact CE2-CB 3.93Å; F128-C136 HydrophobicContact CB-CB 4.46Å; F128-C136 HydrophobicContact CD1-CB 3.77Å; F128-C136 HydrophobicContact CD2-CB 3.91Å; F128-C136 WeakPolarHBondContact CD2-O 3.43Å; F128-C136 HydrophobicContact CE1-CB 3.84Å; F128-C136 HydrophobicContact CE2-CB 4.03Å; F128-C136 HydrophobicContact CG-CB 3.78Å; F128-C136 HydrophobicContact CZ-CB 3.99Å; S134-C136 PolarHBondContact O-N 2.75Å; C136-C394 HydrophobicContact CB-CB 3.84Å; C136-C394 WeakPolarHBondContact CB-SG 3.36Å; C136-C394 WeakPolarHBondContact SG-CA 3.38Å; C136-C394 WeakPolarHBondContact SG-CB 3.19Å; C136-C394 CovalentContact SG-SG 2.03Å; C136-C394 PolarHBondContact SG-SG 2.99Å
137	T	97.1	Very high	94.4	Very high	59 Å²	59	70.4 Å²	70.4	36%	0.362	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	161.3	174.7	-170.6	0	0	0	0	110	V111 K112 T113 F114	V111-T137 HydrophobicContact CG1-CG2 3.89Å; K112-T137 PolarHBondContact O-N 2.72Å; T113-T137 HydrophobicContact CG2-CG2 4.14Å; F114-T137 WeakPolarHBondContact CB-O 3.17Å; F114-T137 PolarHBondContact N-O 3.24Å
138	V	96.3	Very high	94.6	Very high	39 Å²	39	66.9 Å²	66.9	24%	0.236	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.7	174.6	175.4	0	0	0	0	109.6	F114 N116 M126 F128 I152	F114-V138 HydrophobicContact CB-CG2 3.82Å; F114-V138 CarbonylContact O-C 3.38Å; F114-V138 VanDerWaalsContact O-CA 3.27Å; F114-V138 WeakPolarHBondContact O-CA 3.29Å; N116-V138 HydrophobicContact CB-CG1 4.47Å; M126-V138 HydrophobicContact CB-CB 4.42Å; M126-V138 HydrophobicContact CB-CG2 3.81Å; M126-V138 HydrophobicContact CG-CG2 4.03Å; M126-V138 HydrophobicContact SD-CG2 4.35Å; F128-V138 HydrophobicContact CE2-CG2 3.87Å; F128-V138 HydrophobicContact CZ-CG2 3.94Å; V138-I152 HydrophobicContact CG2-CD1 4.3Å
139	I	95.4	Very high	94.7	Very high	24 Å²	24	68.9 Å²	68.9	12%	0.123	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	161.9	168.7	61.7	171.2	0	0	0	110.5	T113 F114 L115 N116 R144	T113-I139 HydrophobicContact CG2-CD1 3.82Å; T113-I139 HydrophobicContact CG2-CG1 3.84Å; T113-I139 HydrophobicContact CG2-CG2 4.17Å; F114-I139 WeakPolarHBondContact O-CG1 3.42Å; F114-I139 PolarHBondContact O-N 2.63Å; L115-I139 WeakPolarHBondContact CA-O 3.43Å; L115-I139 HydrophobicContact CB-CD1 4.37Å; L115-I139 HydrophobicContact CB-CG1 3.86Å; L115-I139 HydrophobicContact CD1-CD1 3.78Å; L115-I139 HydrophobicContact CD1-CG1 3.92Å; L115-I139 HydrophobicContact CG-CD1 4.44Å; L115-I139 HydrophobicContact CG-CG1 4.04Å; N116-I139 PolarHBondContact N-O 3.25Å; I139-R144 HydrophobicContact CD1-CB 4.17Å
140	T	92.8	Very high	94.9	Very high	91 Å²	91	64.9 Å²	64.9	56%	0.558	32%	0.316	S	S	*	.			trans	-125	-8.2	-173.9	50.6	0	0	0	0	114.7	N116 M142	N116-T140 HydrophobicContact CB-CG2 4.39Å; T140-M142 PolarHBondContact O-N 2.89Å; T140-M142 VanDerWaalsContact O-N 3.09Å
141	E	93.7	Very high	95.1	Very high	79 Å²	79	56.4 Å²	56.4	37%	0.369	28%	0.279	S	S	.	.			trans	-74.3	99.3	178.6	-51.9	78.8	-124	0	0	109.8	L115 E143 R144	L115-E141 WeakPolarHBondContact CD1-O 3.36Å; E141-E143 PolarHBondContact O-N 2.91Å; E141-E143 VanDerWaalsContact O-N 3.1Å; E141-R144 HydrophobicContact CB-CG 4.06Å; E141-R144 WeakPolarHBondContact O-CB 3.45Å; E141-R144 PolarHBondContact O-N 3.4Å; E141-R144 IonicContact OE2-CZ 2.83Å; E141-R144 IonicContact OE2-NH1 3.21Å; E141-R144 PolarHBondContact OE2-NH1 2.93Å
142	M	92.5	Very high	95.3	Very high	76 Å²	76	56 Å²	56	37%	0.374	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-60.7	-24.8	-171.2	-69.6	-168.8	-61.3	0	0	113.6	Y117 G118 T140 R144 W145	Y117-M142 HydrophobicContact CD2-CB 4.28Å; Y117-M142 HydrophobicContact CD2-CG 4.29Å; Y117-M142 HydrophobicContact CE2-CB 4.15Å; G118-M142 PolarHBondContact N-SD 2.95Å; T140-M142 PolarHBondContact O-N 2.89Å; T140-M142 VanDerWaalsContact O-N 3.09Å; M142-R144 PolarHBondContact O-N 3.31Å; M142-W145 WeakPolarHBondContact O-CB 3.19Å; M142-W145 PolarHBondContact O-N 3.32Å
143	E	93.7	Very high	95.5	Very high	151 Å²	151	50.7 Å²	50.7	71%	0.706	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-65.1	-24.5	176.9	-57.5	74.6	-160.1	0	0	112.1	E141 W145	E141-E143 PolarHBondContact O-N 2.91Å; E141-E143 VanDerWaalsContact O-N 3.1Å; E143-W145 PolarHBondContact O-N 3.36Å
144	R	96.2	Very high	95.5	Very high	91 Å²	91	50.9 Å²	50.9	34%	0.343	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-85.7	12.2	-179.7	-60.3	178.2	62.7	-153.6	-2.1	113.3	L115 I139 E141 M142 H146 E147	L115-R144 HydrophobicContact CD1-CB 4.22Å; I139-R144 HydrophobicContact CD1-CB 4.17Å; E141-R144 HydrophobicContact CB-CG 4.06Å; E141-R144 WeakPolarHBondContact O-CB 3.45Å; E141-R144 PolarHBondContact O-N 3.4Å; E141-R144 IonicContact OE2-CZ 2.83Å; E141-R144 IonicContact OE2-NH1 3.21Å; E141-R144 PolarHBondContact OE2-NH1 2.93Å; M142-R144 PolarHBondContact O-N 3.31Å; R144-H146 PolarHBondContact O-N 2.94Å; R144-E147 IonicContact CZ-OE2 3.67Å; R144-E147 IonicContact NE-OE1 3.8Å; R144-E147 IonicContact NE-OE2 2.94Å; R144-E147 PolarHBondContact NE-OE2 3.1Å; R144-E147 IonicContact NH2-OE2 3.45Å; R144-E147 PolarHBondContact NH2-OE2 2.84Å; R144-E147 WeakPolarHBondContact O-CB 3.37Å; R144-E147 PolarHBondContact O-N 2.93Å
145	W	96.5	Very high	95.2	Very high	18 Å²	18	51.4 Å²	51.4	7%	0.068	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-55.4	-29.3	-176	73	-91.1	0	0	0	113.6	L115 Y117 M142 E143 E147 A148 L151 P159 Q167	L115-W145 HydrophobicContact CD1-CB 4.33Å; L115-W145 HydrophobicContact CD2-CB 4.38Å; Y117-W145 HydrophobicContact CD2-CB 4.14Å; Y117-W145 HydrophobicContact CE2-CB 4.19Å; Y117-W145 HydrophobicContact CE2-CG 4.45Å; M142-W145 WeakPolarHBondContact O-CB 3.19Å; M142-W145 PolarHBondContact O-N 3.32Å; E143-W145 PolarHBondContact O-N 3.36Å; W145-E147 VanDerWaalsContact C-N 3.29Å; W145-E147 PolarHBondContact O-N 3.45Å; W145-A148 PolarHBondContact O-N 2.97Å; W145-L151 HydrophobicContact CB-CD1 4.48Å; W145-L151 HydrophobicContact CB-CD2 4.05Å; W145-L151 HydrophobicContact CE3-CD1 4.38Å; W145-P159 HydrophobicContact CB-CG 4.24Å; W145-P159 HydrophobicContact CD2-CB 3.34Å; W145-P159 HydrophobicContact CD2-CG 3.62Å; W145-P159 HydrophobicContact CE3-CB 3.66Å; W145-P159 HydrophobicContact CE3-CG 3.65Å; W145-P159 HydrophobicContact CG-CB 3.81Å; W145-P159 HydrophobicContact CG-CG 3.92Å; W145-P159 HydrophobicContact CH2-CB 3.77Å; W145-P159 HydrophobicContact CH2-CG 4.5Å; W145-P159 HydrophobicContact CZ2-CB 3.45Å; W145-P159 VanDerWaalsContact CZ2-CB 3.45Å; W145-P159 HydrophobicContact CZ2-CG 4.48Å; W145-P159 HydrophobicContact CZ3-CB 3.87Å; W145-P159 HydrophobicContact CZ3-CG 4.11Å; W145-Q167 PolarHBondContact O-NE2 2.84Å
146	H	96.5	Very high	94.7	Very high	99 Å²	99	49.8 Å²	49.8	46%	0.458	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-68.2	-24.6	175.9	-69.2	-73.1	0	0	0	114.1	R144 P164	R144-H146 PolarHBondContact O-N 2.94Å; H146-P164 HydrophobicContact CB-CG 4.49Å
147	E	96	Very high	94.2	Very high	123 Å²	123	52.7 Å²	52.7	58%	0.575	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-83.8	-18.2	-179.4	-61.2	170.4	-152.2	0	0	112.4	R144 W145	R144-E147 IonicContact CZ-OE2 3.67Å; R144-E147 IonicContact NE-OE1 3.8Å; R144-E147 IonicContact NE-OE2 2.94Å; R144-E147 PolarHBondContact NE-OE2 3.1Å; R144-E147 IonicContact NH2-OE2 3.45Å; R144-E147 PolarHBondContact NH2-OE2 2.84Å; R144-E147 WeakPolarHBondContact O-CB 3.37Å; R144-E147 PolarHBondContact O-N 2.93Å; W145-E147 VanDerWaalsContact C-N 3.29Å; W145-E147 PolarHBondContact O-N 3.45Å
148	A	97.8	Very high	93.9	Very high	5 Å²	5	52.8 Å²	52.8	4%	0.041	26%	0.259	C	S	.	.			trans	-78.9	137.9	-174.4	0	0	0	0	0	112	L115 W145 A150 L151 Q167	L115-A148 HydrophobicContact CB-CB 3.68Å; W145-A148 PolarHBondContact O-N 2.97Å; A148-A150 VanDerWaalsContact C-N 3.25Å; A148-A150 PolarHBondContact O-N 2.83Å; A148-L151 HydrophobicContact CB-CD2 3.97Å; A148-Q167 PolarHBondContact O-NE2 2.91Å
149	D	96.8	Very high	93.8	Very high	50 Å²	50	51 Å²	51	27%	0.267	25%	0.249	S	C	.	.	S	Bend	trans	-67.1	-30.4	168.9	-65.2	-93.3	0	0	0	111.5	K112 T113 Q167 L168	K112-D149 WeakPolarHBondContact CA-OD2 3.36Å; K112-D149 HydrophobicContact CB-CB 4.49Å; K112-D149 HydrophobicContact CD-CB 3.86Å; K112-D149 VanDerWaalsContact CD-CG 3.49Å; K112-D149 VanDerWaalsContact CD-OD1 3.31Å; K112-D149 WeakPolarHBondContact CD-OD1 3.49Å; K112-D149 IonicContact NZ-OD1 2.96Å; K112-D149 PolarHBondContact NZ-OD1 3.01Å; T113-D149 PolarHBondContact N-OD2 3.43Å; T113-D149 PolarHBondContact O-N 3.49Å; D149-Q167 CarbonylContact O-C 3.35Å; D149-Q167 VanDerWaalsContact O-CA 3.26Å; D149-Q167 WeakPolarHBondContact O-CA 3.46Å; D149-L168 PolarHBondContact O-N 3.23Å
150	A	97.3	Very high	93.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	145.7	-179.8	0	0	0	0	0	113.3	T113 F114 L115 A148 L168 F170	T113-A150 PolarHBondContact O-N 3.03Å; F114-A150 CarbonylContact C-O 3.59Å; F114-A150 VanDerWaalsContact CA-O 3.23Å; F114-A150 WeakPolarHBondContact CA-O 3.43Å; F114-A150 HydrophobicContact CD1-CB 3.51Å; F114-A150 HydrophobicContact CE1-CB 3.55Å; F114-A150 HydrophobicContact CG-CB 4.15Å; F114-A150 HydrophobicContact CZ-CB 4.21Å; L115-A150 PolarHBondContact N-O 3.1Å; A148-A150 VanDerWaalsContact C-N 3.25Å; A148-A150 PolarHBondContact O-N 2.83Å; A150-L168 CarbonylContact C-O 3.45Å; A150-L168 WeakPolarHBondContact CA-O 3.42Å; A150-L168 HydrophobicContact CB-CB 4.04Å; A150-L168 WeakPolarHBondContact CB-O 3.46Å; A150-F170 HydrophobicContact CB-CD2 4.21Å; A150-F170 HydrophobicContact CB-CE2 3.98Å
151	L	97.2	Very high	93.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.6	172.2	-54.4	-170.1	0	0	0	110.4	L115 W145 A148 L153 P159 L168 W169 F170	L115-L151 HydrophobicContact CB-CD2 3.93Å; L115-L151 HydrophobicContact CD2-CD2 4.05Å; W145-L151 HydrophobicContact CB-CD1 4.48Å; W145-L151 HydrophobicContact CB-CD2 4.05Å; W145-L151 HydrophobicContact CE3-CD1 4.38Å; A148-L151 HydrophobicContact CB-CD2 3.97Å; L151-L153 HydrophobicContact CB-CD2 4.07Å; L151-L153 HydrophobicContact CD1-CD2 4.42Å; L151-P159 HydrophobicContact CD1-CG 3.44Å; L151-P159 VanDerWaalsContact CD1-CG 3.44Å; L151-L168 PolarHBondContact N-O 3.04Å; L151-W169 HydrophobicContact CB-CG 4.38Å; L151-W169 HydrophobicContact CD1-CD2 4.4Å; L151-W169 HydrophobicContact CD1-CZ2 4.11Å; L151-F170 PolarHBondContact O-N 3.48Å
152	I	96.7	Very high	93.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	96.1	169.3	-47.4	171.6	0	0	0	106.9	F114 L115 Y117 I122 M126 V138 T154 F170 L172 M393	F114-I152 HydrophobicContact CB-CD1 4.03Å; F114-I152 HydrophobicContact CB-CG1 4.27Å; F114-I152 HydrophobicContact CD1-CD1 4.17Å; F114-I152 HydrophobicContact CD1-CG1 3.9Å; F114-I152 HydrophobicContact CG-CD1 4.44Å; L115-I152 PolarHBondContact O-N 3.1Å; Y117-I152 PolarHBondContact N-O 3.21Å; I122-I152 HydrophobicContact CD1-CB 4.5Å; I122-I152 HydrophobicContact CD1-CD1 4.23Å; I122-I152 HydrophobicContact CD1-CG2 3.91Å; M126-I152 HydrophobicContact CE-CD1 4.16Å; M126-I152 HydrophobicContact SD-CD1 4.49Å; V138-I152 HydrophobicContact CG2-CD1 4.3Å; I152-T154 HydrophobicContact CG2-CG2 4.11Å; I152-T154 PolarHBondContact O-N 2.88Å; I152-F170 CarbonylContact C-O 3.44Å; I152-F170 WeakPolarHBondContact CA-O 3.5Å; I152-L172 HydrophobicContact CG2-CB 3.62Å; I152-L172 HydrophobicContact CG2-CD1 3.99Å; I152-L172 HydrophobicContact CG2-CG 4.46Å; I152-M393 HydrophobicContact CD1-CE 3.38Å; I152-M393 HydrophobicContact CG1-CE 3.65Å
153	L	95.7	Very high	93.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	106.4	177.7	-51.4	-177.7	0	0	0	109.1	Y117 L151 W169 F170 T171 L172 L186 V190	Y117-L153 HydrophobicContact CD1-CD2 3.88Å; Y117-L153 HydrophobicContact CG-CD2 4.26Å; Y117-L153 WeakPolarHBondContact O-CA 3.22Å; L151-L153 HydrophobicContact CB-CD2 4.07Å; L151-L153 HydrophobicContact CD1-CD2 4.42Å; L153-W169 HydrophobicContact CD1-CB 4.36Å; L153-W169 HydrophobicContact CD1-CD2 4.35Å; L153-W169 HydrophobicContact CD1-CE3 3.77Å; L153-W169 HydrophobicContact CD1-CZ3 4.45Å; L153-F170 PolarHBondContact N-O 2.87Å; L153-T171 HydrophobicContact CB-CG2 4.13Å; L153-T171 HydrophobicContact CD1-CG2 4.16Å; L153-T171 WeakPolarHBondContact O-CA 3.05Å; L153-L172 PolarHBondContact O-N 3.2Å; L153-L186 HydrophobicContact CD1-CD2 3.73Å; L153-V190 HydrophobicContact CD1-CG2 4.29Å
154	T	92.5	Very high	93.5	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.025	27%	0.272	C	S	.	.			trans	-97.2	-0.8	-177.8	60.5	0	0	0	0	113.9	N116 Y117 I122 I152 L172	N116-T154 WeakPolarHBondContact OD1-CG2 3.44Å; Y117-T154 PolarHBondContact O-N 2.65Å; Y117-T154 VanDerWaalsContact O-N 3.17Å; I122-T154 HydrophobicContact CD1-CG2 3.88Å; I122-T154 HydrophobicContact CG1-CG2 3.77Å; I152-T154 HydrophobicContact CG2-CG2 4.11Å; I152-T154 PolarHBondContact O-N 2.88Å; T154-L172 WeakPolarHBondContact CA-O 3.32Å
155	K	86	Confident	93.3	Very high	68 Å²	68	57 Å²	57	30%	0.296	30%	0.303	S	S	.	.	S	Bend	trans	-147.3	-173.7	177.9	-76.7	-164.8	176.3	176	0	110.5	S119 Q120 V157	S119-K155 WeakPolarHBondContact OG-CE 3.4Å; S119-K155 PolarHBondContact OG-NZ 3.47Å; Q120-K155 HydrophobicContact CB-CG 4.28Å; K155-V157 HydrophobicContact CB-CG2 4.34Å; K155-V157 PolarHBondContact O-N 2.9Å; K155-V157 VanDerWaalsContact O-N 3.08Å
156	N	86.2	Confident	93	Very high	55 Å²	55	57.9 Å²	57.9	29%	0.294	32%	0.318	S	S	.	.	S	Bend	trans	-78.6	33.1	178.1	-161.9	4.9	0	0	0	115.7	S181 A183	N156-S181 WeakPolarHBondContact CB-O 3.24Å; N156-S181 PolarHBondContact ND2-O 3.31Å; N156-A183 WeakPolarHBondContact ND2-CB 3.28Å; N156-A183 PolarHBondContact ND2-N 2Å; N156-A183 VanDerWaalsContact OD1-CA 3.28Å; N156-A183 WeakPolarHBondContact OD1-CA 3.03Å; N156-A183 WeakPolarHBondContact OD1-CB 3.47Å; N156-A183 PolarHBondContact OD1-N 2.78Å
157	V	85.9	Confident	93	Very high	74 Å²	74	53.5 Å²	53.5	45%	0.448	30%	0.298	S	S	.	.			trans	-126.3	140.1	-176	-66.3	0	0	0	0	109.5	Y117 K155	Y117-V157 HydrophobicContact CD1-CG2 4.33Å; Y117-V157 HydrophobicContact CE1-CB 4.47Å; Y117-V157 HydrophobicContact CE1-CG2 4.06Å; K155-V157 HydrophobicContact CB-CG2 4.34Å; K155-V157 PolarHBondContact O-N 2.9Å; K155-V157 VanDerWaalsContact O-N 3.08Å
158	K	91.1	Very high	93	Very high	61 Å²	61	48.1 Å²	48.1	27%	0.265	27%	0.273	S	S	.	.			trans	-117.3	160.1	169.6	70	179.3	-170.4	-178	0	110.1	Y117 W169 T185 L186 E189	Y117-K158 VanDerWaalsContact CE1-C 3.48Å; K158-W169 HydrophobicContact CB-CH2 3.62Å; K158-W169 HydrophobicContact CB-CZ3 3.48Å; K158-W169 VanDerWaalsContact CB-CZ3 3.48Å; K158-W169 HydrophobicContact CD-CH2 3.9Å; K158-W169 HydrophobicContact CD-CZ3 3.76Å; K158-W169 HydrophobicContact CG-CH2 4.22Å; K158-W169 HydrophobicContact CG-CZ3 4.24Å; K158-T185 PolarHBondContact NZ-O 3.02Å; K158-L186 HydrophobicContact CB-CD2 3.86Å; K158-L186 HydrophobicContact CD-CD2 4.27Å; K158-L186 HydrophobicContact CG-CD2 4.5Å; K158-E189 IonicContact NZ-OE1 2.77Å; K158-E189 PolarHBondContact NZ-OE1 2.88Å
159	P	92.9	Very high	92.9	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.019	27%	0.272	C	S	.	.			trans	-62.3	144.8	171.3	-15.9	26.5	0	0	0	113.1	Y117 W145 L151 G161 W169	Y117-P159 HydrophobicContact CD1-CG 4.4Å; Y117-P159 HydrophobicContact CD2-CG 4.07Å; Y117-P159 HydrophobicContact CE1-CG 4.04Å; Y117-P159 HydrophobicContact CE2-CB 4.14Å; Y117-P159 HydrophobicContact CE2-CG 3.69Å; Y117-P159 HydrophobicContact CG-CG 4.42Å; Y117-P159 VanDerWaalsContact OH-CA 3.26Å; Y117-P159 WeakPolarHBondContact OH-CA 3.1Å; W145-P159 HydrophobicContact CB-CG 4.24Å; W145-P159 HydrophobicContact CD2-CB 3.34Å; W145-P159 HydrophobicContact CD2-CG 3.62Å; W145-P159 HydrophobicContact CE3-CB 3.66Å; W145-P159 HydrophobicContact CE3-CG 3.65Å; W145-P159 HydrophobicContact CG-CB 3.81Å; W145-P159 HydrophobicContact CG-CG 3.92Å; W145-P159 HydrophobicContact CH2-CB 3.77Å; W145-P159 HydrophobicContact CH2-CG 4.5Å; W145-P159 HydrophobicContact CZ2-CB 3.45Å; W145-P159 VanDerWaalsContact CZ2-CB 3.45Å; W145-P159 HydrophobicContact CZ2-CG 4.48Å; W145-P159 HydrophobicContact CZ3-CB 3.87Å; W145-P159 HydrophobicContact CZ3-CG 4.11Å; L151-P159 HydrophobicContact CD1-CG 3.44Å; L151-P159 VanDerWaalsContact CD1-CG 3.44Å; P159-G161 PolarHBondContact O-N 3.11Å; P159-W169 HydrophobicContact CG-CZ2 4.21Å
160	D	90.1	Very high	92.8	Very high	160 Å²	160	45.9 Å²	45.9	86%	0.856	26%	0.259	S	S	*	.	S	Bend	trans	-84.6	100.1	170.2	-69.3	-32.7	0	0	0	108.8
161	G	91.3	Very high	92.7	Very high	54 Å²	54	46 Å²	46	56%	0.557	26%	0.26	S	S	*	.	S	Bend	trans	159.9	179.6	177	0	0	0	0	0	113.1	P159 R163	P159-G161 PolarHBondContact O-N 3.11Å; G161-R163 PolarHBondContact O-N 3.46Å
162	I	92.6	Very high	92.6	Very high	155 Å²	155	46.7 Å²	46.7	80%	0.795	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-78.6	122.4	176.1	-57.6	175.6	0	0	0	108.2	P164	I162-P164 WeakPolarHBondContact O-CD 3.38Å
163	R	93.6	Very high	92.4	Very high	40 Å²	40	47 Å²	47	15%	0.151	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-60.3	123.6	174.7	178	175.8	174	161.9	-12.3	110.6	G161 Q167 W169 E189 N191 W407	G161-R163 PolarHBondContact O-N 3.46Å; R163-Q167 HydrophobicContact CG-CB 4.29Å; R163-Q167 PolarHBondContact NE-O 3.06Å; R163-Q167 PolarHBondContact NH2-O 2.95Å; R163-W169 HydrophobicContact CB-CZ2 4.38Å; R163-W169 HydrophobicContact CG-CZ2 4.34Å; R163-W169 VanDerWaalsContact NH1-CG 3.3Å; R163-E189 PolarHBondContact NH1-O 2.84Å; R163-N191 PolarHBondContact NH2-ND2 3.21Å; R163-N191 PolarHBondContact NH2-OD1 2.99Å; R163-W407 VanDerWaalsContact CZ-CH2 3.46Å
164	P	95.2	Very high	92.3	Very high	40 Å²	40	48 Å²	48	26%	0.26	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-55.5	143.9	174.2	-25	33	0	0	0	112.3	H146 I162 G166 Q167	H146-P164 HydrophobicContact CB-CG 4.49Å; I162-P164 WeakPolarHBondContact O-CD 3.38Å; P164-G166 PolarHBondContact O-N 3.31Å; P164-Q167 HydrophobicContact CB-CB 4.23Å; P164-Q167 WeakPolarHBondContact O-CB 3.41Å; P164-Q167 PolarHBondContact O-N 3.28Å; P164-Q167 VanDerWaalsContact O-N 3.16Å
165	L	91.1	Very high	92.3	Very high	187 Å²	187	50.9 Å²	50.9	98%	0.979	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	127.6	179.2	-175.2	66.5	0	0	0	110.4	Q167	L165-Q167 VanDerWaalsContact C-N 3.26Å; L165-Q167 PolarHBondContact O-N 3.43Å
166	G	91.1	Very high	92.8	Very high	38 Å²	38	47.6 Å²	47.6	39%	0.392	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-4.7	178.5	0	0	0	0	0	115.5	P164	P164-G166 PolarHBondContact O-N 3.31Å
167	Q	95.6	Very high	93.2	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.028	26%	0.259	C	S	.	.			trans	-61.7	138.9	169.9	179.6	176.7	85.3	0	0	109.5	W145 A148 D149 R163 P164 L165	W145-Q167 PolarHBondContact O-NE2 2.84Å; A148-Q167 PolarHBondContact O-NE2 2.91Å; D149-Q167 CarbonylContact O-C 3.35Å; D149-Q167 VanDerWaalsContact O-CA 3.26Å; D149-Q167 WeakPolarHBondContact O-CA 3.46Å; R163-Q167 HydrophobicContact CG-CB 4.29Å; R163-Q167 PolarHBondContact NE-O 3.06Å; R163-Q167 PolarHBondContact NH2-O 2.95Å; P164-Q167 HydrophobicContact CB-CB 4.23Å; P164-Q167 WeakPolarHBondContact O-CB 3.41Å; P164-Q167 PolarHBondContact O-N 3.28Å; P164-Q167 VanDerWaalsContact O-N 3.16Å; L165-Q167 VanDerWaalsContact C-N 3.26Å; L165-Q167 PolarHBondContact O-N 3.43Å
168	L	96	Very high	93.6	Very high	11 Å²	11	46.7 Å²	46.7	6%	0.058	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.8	-179.3	-61	171.4	0	0	0	112.1	D149 A150 L151 F170 N191 F192 A397	D149-L168 PolarHBondContact O-N 3.23Å; A150-L168 CarbonylContact C-O 3.45Å; A150-L168 WeakPolarHBondContact CA-O 3.42Å; A150-L168 HydrophobicContact CB-CB 4.04Å; A150-L168 WeakPolarHBondContact CB-O 3.46Å; L151-L168 PolarHBondContact N-O 3.04Å; L168-F170 HydrophobicContact CB-CD2 4.42Å; L168-F170 HydrophobicContact CB-CE2 3.82Å; L168-F170 HydrophobicContact CD1-CE2 4.3Å; L168-N191 WeakPolarHBondContact CA-OD1 3.01Å; L168-F192 HydrophobicContact CD1-CE2 4.42Å; L168-F192 HydrophobicContact CD2-CE2 4.36Å; L168-A397 HydrophobicContact CD1-CB 4.36Å
169	W	96	Very high	93.7	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.7	179.7	-70.8	16.7	0	0	0	109.9	L151 L153 K158 P159 R163 L186 E189 N191 F192	L151-W169 HydrophobicContact CB-CG 4.38Å; L151-W169 HydrophobicContact CD1-CD2 4.4Å; L151-W169 HydrophobicContact CD1-CZ2 4.11Å; L153-W169 HydrophobicContact CD1-CB 4.36Å; L153-W169 HydrophobicContact CD1-CD2 4.35Å; L153-W169 HydrophobicContact CD1-CE3 3.77Å; L153-W169 HydrophobicContact CD1-CZ3 4.45Å; K158-W169 HydrophobicContact CB-CH2 3.62Å; K158-W169 HydrophobicContact CB-CZ3 3.48Å; K158-W169 VanDerWaalsContact CB-CZ3 3.48Å; K158-W169 HydrophobicContact CD-CH2 3.9Å; K158-W169 HydrophobicContact CD-CZ3 3.76Å; K158-W169 HydrophobicContact CG-CH2 4.22Å; K158-W169 HydrophobicContact CG-CZ3 4.24Å; P159-W169 HydrophobicContact CG-CZ2 4.21Å; R163-W169 HydrophobicContact CB-CZ2 4.38Å; R163-W169 HydrophobicContact CG-CZ2 4.34Å; R163-W169 VanDerWaalsContact NH1-CG 3.3Å; W169-L186 HydrophobicContact CE3-CD2 4.49Å; W169-L186 HydrophobicContact CZ3-CD2 4.25Å; W169-E189 HydrophobicContact CE3-CB 3.91Å; W169-E189 HydrophobicContact CZ3-CB 3.89Å; W169-E189 HydrophobicContact CZ3-CG 4.43Å; W169-N191 PolarHBondContact N-OD1 2.81Å; W169-N191 PolarHBondContact O-N 3.35Å; W169-F192 PolarHBondContact O-N 3.01Å
170	F	95.3	Very high	93.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.7	176.3	-66.7	-104.6	0	0	0	108.8	F114 A150 L151 I152 L153 L168 F192 I194 I202 M393 L396	F114-F170 AromaticContact CE1-CD2 3.97Å; F114-F170 HydrophobicContact CE1-CD2 3.97Å; F114-F170 AromaticContact CE1-CE2 3.69Å; F114-F170 HydrophobicContact CE1-CE2 3.69Å; F114-F170 HydrophobicContact CE1-CZ 4.17Å; F114-F170 HydrophobicContact CZ-CE2 4.39Å; A150-F170 HydrophobicContact CB-CD2 4.21Å; A150-F170 HydrophobicContact CB-CE2 3.98Å; L151-F170 PolarHBondContact O-N 3.48Å; I152-F170 CarbonylContact C-O 3.44Å; I152-F170 WeakPolarHBondContact CA-O 3.5Å; L153-F170 PolarHBondContact N-O 2.87Å; L168-F170 HydrophobicContact CB-CD2 4.42Å; L168-F170 HydrophobicContact CB-CE2 3.82Å; L168-F170 HydrophobicContact CD1-CE2 4.3Å; F170-F192 CarbonylContact C-O 3.6Å; F170-F192 VanDerWaalsContact CA-O 3.23Å; F170-F192 WeakPolarHBondContact CA-O 3.49Å; F170-F192 HydrophobicContact CD1-CB 3.51Å; F170-F192 HydrophobicContact CD1-CD2 4.03Å; F170-F192 HydrophobicContact CD1-CG 4.19Å; F170-F192 HydrophobicContact CE1-CB 3.63Å; F170-F192 AromaticContact CE1-CD2 3.42Å; F170-F192 HydrophobicContact CE1-CD2 3.42Å; F170-F192 VanDerWaalsContact CE1-CD2 3.42Å; F170-F192 HydrophobicContact CE1-CE2 4.35Å; F170-F192 AromaticContact CE1-CG 3.82Å; F170-F192 HydrophobicContact CE1-CG 3.82Å; F170-F192 HydrophobicContact CE2-CD2 4Å; F170-F192 HydrophobicContact CG-CB 4.26Å; F170-F192 HydrophobicContact CZ-CB 4.45Å; F170-F192 AromaticContact CZ-CD2 3.41Å; F170-F192 HydrophobicContact CZ-CD2 3.41Å; F170-F192 VanDerWaalsContact CZ-CD2 3.41Å; F170-F192 HydrophobicContact CZ-CE2 4.02Å; F170-F192 HydrophobicContact CZ-CG 4.27Å; F170-I194 HydrophobicContact CB-CD1 4.22Å; F170-I194 HydrophobicContact CD1-CD1 3.91Å; F170-I194 HydrophobicContact CD1-CG1 4.31Å; F170-I194 HydrophobicContact CG-CD1 4.48Å; F170-I202 HydrophobicContact CD1-CD1 4.46Å; F170-I202 HydrophobicContact CE1-CD1 4.26Å; F170-M393 HydrophobicContact CD1-CG 4.09Å; F170-M393 HydrophobicContact CE1-CB 4.34Å; F170-M393 HydrophobicContact CE1-CG 4.12Å; F170-L396 HydrophobicContact CE1-CB 4.32Å; F170-L396 HydrophobicContact CE1-CD1 4.02Å; F170-L396 HydrophobicContact CZ-CB 4.07Å
171	T	95.1	Very high	93.9	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.8	165.5	52	0	0	0	0	109.5	L153 L182 V190 F192 I194	L153-T171 HydrophobicContact CB-CG2 4.13Å; L153-T171 HydrophobicContact CD1-CG2 4.16Å; L153-T171 WeakPolarHBondContact O-CA 3.05Å; T171-L182 HydrophobicContact CG2-CD1 4.32Å; T171-V190 HydrophobicContact CG2-CB 4.21Å; T171-V190 HydrophobicContact CG2-CG1 3.71Å; T171-V190 HydrophobicContact CG2-CG2 3.41Å; T171-V190 VanDerWaalsContact CG2-CG2 3.41Å; T171-F192 PolarHBondContact N-O 3.17Å; T171-I194 WeakPolarHBondContact O-CA 3.33Å; T171-I194 WeakPolarHBondContact O-CB 3.41Å; T171-I194 PolarHBondContact O-N 2.76Å
172	L	94.9	Very high	94	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.073	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	105.8	175.8	-168.9	166.2	0	0	0	109.1	I122 M126 I152 L153 T154 I194	I122-L172 HydrophobicContact CD1-CD1 4.46Å; I122-L172 HydrophobicContact CG2-CD1 4.35Å; M126-L172 HydrophobicContact CE-CD1 3.76Å; I152-L172 HydrophobicContact CG2-CB 3.62Å; I152-L172 HydrophobicContact CG2-CD1 3.99Å; I152-L172 HydrophobicContact CG2-CG 4.46Å; L153-L172 PolarHBondContact O-N 3.2Å; T154-L172 WeakPolarHBondContact CA-O 3.32Å; L172-I194 WeakPolarHBondContact CA-O 3.34Å; L172-I194 HydrophobicContact CB-CB 4.28Å; L172-I194 HydrophobicContact CD1-CD1 4.39Å; L172-I194 HydrophobicContact CG-CB 4.18Å; L172-I194 HydrophobicContact CG-CG2 4.19Å
173	I	92.8	Very high	94	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	119	-176.4	-51.5	173.7	0	0	0	109.5	I180 L182 I194 S195 W415	I173-I180 HydrophobicContact CD1-CG2 4.22Å; I173-I180 HydrophobicContact CG2-CB 4.08Å; I173-I180 HydrophobicContact CG2-CD1 4.27Å; I173-I180 HydrophobicContact CG2-CG2 4.06Å; I173-L182 HydrophobicContact CD1-CD1 3.93Å; I173-L182 HydrophobicContact CD1-CD2 3.59Å; I173-L182 HydrophobicContact CD1-CG 3.76Å; I173-I194 PolarHBondContact N-O 2.91Å; I173-S195 WeakPolarHBondContact O-CA 3.39Å; I173-S195 WeakPolarHBondContact O-CB 3.26Å; I173-W415 HydrophobicContact CB-CH2 4.16Å; I173-W415 HydrophobicContact CB-CZ2 3.98Å; I173-W415 HydrophobicContact CD1-CZ2 4.45Å; I173-W415 HydrophobicContact CG2-CH2 3.89Å; I173-W415 HydrophobicContact CG2-CZ2 3.36Å
174	H	92.5	Very high	94	Very high	21 Å²	21	38.7 Å²	38.7	10%	0.097	22%	0.216	C	C	.	.			trans	-106.7	-12.3	174.4	-79	-144.9	0	0	0	112.7	F196 S204 Y206 W385	H174-F196 WeakPolarHBondContact O-CD1 3.29Å; H174-F196 WeakPolarHBondContact O-CE1 3.37Å; H174-S204 PolarHBondContact CE1-O 3.31Å; H174-S204 PolarHBondContact CE1-OG 3.29Å; H174-S204 PolarHBondContact NE2-OG 2.93Å; H174-Y206 HydrophobicContact CB-CE2 4.29Å; H174-Y206 WeakPolarHBondContact O-CE2 3.43Å; H174-Y206 PolarHBondContact O-OH 3.18Å; H174-W385 HydrophobicContact CB-CH2 4.24Å; H174-W385 AromaticContact CE1-CH2 3.71Å; H174-W385 AromaticContact CE1-CZ3 3.43Å; H174-W385 VanDerWaalsContact CE1-CZ3 3.43Å; H174-W385 WeakPolarHBondContact CE1-CZ3 3.36Å; H174-W385 AromaticContact CG-CH2 3.89Å; H174-W385 AromaticContact ND1-CH2 2.92Å; H174-W385 WeakPolarHBondContact ND1-CH2 3.48Å; H174-W385 AromaticContact ND1-CZ2 3.79Å; H174-W385 AromaticContact ND1-CZ3 3.17Å; H174-W385 WeakPolarHBondContact ND1-CZ3 3.11Å
175	E	93.4	Very high	93.9	Very high	65 Å²	65	40.9 Å²	40.9	30%	0.304	23%	0.229	S	C	.	.	S	Bend	trans	-78.8	162.7	172.3	-77.6	-62.9	163.9	0	0	112.5	H179 I180 F196 Y309 W415	E175-H179 HydrophobicContact CB-CB 4.2Å; E175-H179 IonicContact OE2-CD2 2.71Å; E175-I180 HydrophobicContact CB-CB 4.49Å; E175-I180 HydrophobicContact CB-CD1 3.77Å; E175-I180 HydrophobicContact CB-CG1 3.87Å; E175-I180 HydrophobicContact CG-CD1 4.09Å; E175-I180 HydrophobicContact CG-CG1 4.46Å; E175-F196 WeakPolarHBondContact O-CE1 3.42Å; E175-Y309 PolarHBondContact OE2-OH 3.01Å; E175-W415 WeakPolarHBondContact O-CH2 3.41Å; E175-W415 WeakPolarHBondContact O-CZ2 3.48Å
176	S	95.5	Very high	94	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.			trans	-69	156.4	177.1	72.8	0	0	0	0	112.3	E178 H179 I180 S304	S176-E178 PolarHBondContact O-N 3.4Å; S176-E178 VanDerWaalsContact O-N 3.13Å; S176-H179 PolarHBondContact O-N 3.44Å; S176-H179 PolarHBondContact OG-CD2 2.87Å; S176-H179 VanDerWaalsContact OG-CD2 3.28Å; S176-I180 PolarHBondContact O-N 3.26Å; S176-S304 WeakPolarHBondContact OG-CB 3.3Å; S176-S304 PolarHBondContact OG-OG 3.13Å
177	P	95.2	Very high	94	Very high	12 Å²	12	32 Å²	32	8%	0.078	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.2	174.8	-24.4	31.2	0	0	0	114.9	H179 I180 W415	P177-H179 VanDerWaalsContact C-N 3.28Å; P177-H179 PolarHBondContact O-N 3.04Å; P177-I180 WeakPolarHBondContact CA-O 3.43Å; P177-I180 CarbonylContact O-C 3.43Å; P177-W415 WeakPolarHBondContact CB-O 3.46Å; P177-W415 HydrophobicContact CG-CD2 4.14Å; P177-W415 HydrophobicContact CG-CH2 4.44Å; P177-W415 HydrophobicContact CG-CZ2 3.98Å; P177-W415 WeakPolarHBondContact CG-O 3.5Å
178	E	94.3	Very high	93.7	Very high	97 Å²	97	36.1 Å²	36.1	45%	0.453	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.6	173.7	-73.5	-70.3	164.3	0	0	113.5	S176 K247 C419	S176-E178 PolarHBondContact O-N 3.4Å; S176-E178 VanDerWaalsContact O-N 3.13Å; E178-K247 HydrophobicContact CB-CB 4.4Å; E178-K247 HydrophobicContact CB-CG 4.04Å; E178-K247 HydrophobicContact CG-CB 4.24Å; E178-K247 HydrophobicContact CG-CG 4.29Å; E178-C419 HydrophobicContact CG-CB 4.32Å
179	H	93	Very high	93.5	Very high	83 Å²	83	38.1 Å²	38.1	38%	0.384	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-34.2	-179.9	-76.7	-57.8	0	0	0	112.7	E175 S176 P177 N303	E175-H179 HydrophobicContact CB-CB 4.2Å; E175-H179 IonicContact OE2-CD2 2.71Å; S176-H179 PolarHBondContact O-N 3.44Å; S176-H179 PolarHBondContact OG-CD2 2.87Å; S176-H179 VanDerWaalsContact OG-CD2 3.28Å; P177-H179 VanDerWaalsContact C-N 3.28Å; P177-H179 PolarHBondContact O-N 3.04Å; H179-N303 PolarHBondContact CD2-ND2 3.28Å; H179-N303 VanDerWaalsContact CD2-ND2 3.29Å; H179-N303 PolarHBondContact NE2-ND2 2.96Å; H179-N303 VanDerWaalsContact NE2-ND2 3.14Å
180	I	92.9	Very high	93.4	Very high	19 Å²	19	37.8 Å²	37.8	10%	0.097	20%	0.203	C	C	.	.	S	Bend	trans	-132.9	105.4	174.7	-59.7	-174.5	0	0	0	107.4	I173 E175 S176 P177 W415	I173-I180 HydrophobicContact CD1-CG2 4.22Å; I173-I180 HydrophobicContact CG2-CB 4.08Å; I173-I180 HydrophobicContact CG2-CD1 4.27Å; I173-I180 HydrophobicContact CG2-CG2 4.06Å; E175-I180 HydrophobicContact CB-CB 4.49Å; E175-I180 HydrophobicContact CB-CD1 3.77Å; E175-I180 HydrophobicContact CB-CG1 3.87Å; E175-I180 HydrophobicContact CG-CD1 4.09Å; E175-I180 HydrophobicContact CG-CG1 4.46Å; S176-I180 PolarHBondContact O-N 3.26Å; P177-I180 WeakPolarHBondContact CA-O 3.43Å; P177-I180 CarbonylContact O-C 3.43Å; I180-W415 PolarHBondContact O-NE1 3.45Å
181	S	93.7	Very high	93.3	Very high	60 Å²	60	37.8 Å²	37.8	42%	0.42	20%	0.203	S	C	.	.			trans	-89.2	158.6	169.3	59.8	0	0	0	0	111	N156 N416	N156-S181 WeakPolarHBondContact CB-O 3.24Å; N156-S181 PolarHBondContact ND2-O 3.31Å; S181-N416 VanDerWaalsContact CA-OD1 3.26Å; S181-N416 WeakPolarHBondContact CA-OD1 3.27Å; S181-N416 WeakPolarHBondContact CB-OD1 3.17Å
182	L	93.6	Very high	93.2	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	20%	0.203	C	C	.	.			trans	-105.8	144.8	171.2	-72.1	-176.1	0	0	0	110.4	T171 I173 L186 V411 A412 W415 N416	T171-L182 HydrophobicContact CG2-CD1 4.32Å; I173-L182 HydrophobicContact CD1-CD1 3.93Å; I173-L182 HydrophobicContact CD1-CD2 3.59Å; I173-L182 HydrophobicContact CD1-CG 3.76Å; L182-L186 HydrophobicContact CD2-CD1 3.72Å; L182-V411 HydrophobicContact CD1-CG1 4.47Å; L182-V411 HydrophobicContact CD1-CG2 3.87Å; L182-A412 HydrophobicContact CB-CB 4.31Å; L182-A412 WeakPolarHBondContact O-CB 3.26Å; L182-W415 HydrophobicContact CD1-CB 3.94Å; L182-W415 HydrophobicContact CD1-CG 4.06Å; L182-W415 HydrophobicContact CG-CB 4.34Å; L182-W415 HydrophobicContact CG-CG 4.15Å; L182-N416 PolarHBondContact N-OD1 2.9Å; L182-N416 PolarHBondContact O-ND2 2.97Å
183	A	93.5	Very high	93.1	Very high	25 Å²	25	37.2 Å²	37.2	21%	0.207	20%	0.201	C	C	.	.			trans	-90.3	145.9	-177.6	0	0	0	0	0	108.5	N156 T185 L186	N156-A183 WeakPolarHBondContact ND2-CB 3.28Å; N156-A183 PolarHBondContact ND2-N 2Å; N156-A183 VanDerWaalsContact OD1-CA 3.28Å; N156-A183 WeakPolarHBondContact OD1-CA 3.03Å; N156-A183 WeakPolarHBondContact OD1-CB 3.47Å; N156-A183 PolarHBondContact OD1-N 2.78Å; A183-T185 WeakPolarHBondContact CB-OG1 3.37Å; A183-T185 PolarHBondContact O-N 2.78Å; A183-L186 WeakPolarHBondContact O-CB 3.18Å; A183-L186 PolarHBondContact O-N 3.16Å
184	N	93.2	Very high	93.2	Very high	116 Å²	116	37 Å²	37	62%	0.62	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-60.8	-17.1	175.4	-56.6	-17.6	0	0	0	112.1	L186 D187 A412	N184-L186 PolarHBondContact O-N 3Å; N184-D187 VanDerWaalsContact O-CB 3.27Å; N184-D187 WeakPolarHBondContact O-CB 3.16Å; N184-D187 PolarHBondContact O-N 2.86Å; N184-D187 VanDerWaalsContact O-N 3.09Å; N184-A412 VanDerWaalsContact OD1-CB 3.31Å; N184-A412 WeakPolarHBondContact OD1-CB 3.38Å
185	T	92.9	Very high	93.2	Very high	86 Å²	86	36.1 Å²	36.1	53%	0.528	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-67.8	-12	172.7	55	0	0	0	0	113.8	K158 A183 E189	K158-T185 PolarHBondContact NZ-O 3.02Å; A183-T185 WeakPolarHBondContact CB-OG1 3.37Å; A183-T185 PolarHBondContact O-N 2.78Å; T185-E189 WeakPolarHBondContact O-CG 3.35Å
186	L	93.1	Very high	93.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-93.1	-7.5	172	-68.3	170.9	0	0	0	113	L153 K158 W169 L182 A183 N184 N188 E189 V190 V411	L153-L186 HydrophobicContact CD1-CD2 3.73Å; K158-L186 HydrophobicContact CB-CD2 3.86Å; K158-L186 HydrophobicContact CD-CD2 4.27Å; K158-L186 HydrophobicContact CG-CD2 4.5Å; W169-L186 HydrophobicContact CE3-CD2 4.49Å; W169-L186 HydrophobicContact CZ3-CD2 4.25Å; L182-L186 HydrophobicContact CD2-CD1 3.72Å; A183-L186 WeakPolarHBondContact O-CB 3.18Å; A183-L186 PolarHBondContact O-N 3.16Å; N184-L186 PolarHBondContact O-N 3Å; L186-N188 PolarHBondContact O-N 2.86Å; L186-E189 WeakPolarHBondContact O-CB 3.38Å; L186-E189 PolarHBondContact O-N 3.39Å; L186-V190 HydrophobicContact CB-CG2 4.18Å; L186-V190 HydrophobicContact CD2-CG2 4.48Å; L186-V190 PolarHBondContact O-N 3.09Å; L186-V411 HydrophobicContact CB-CG1 3.91Å; L186-V411 WeakPolarHBondContact O-CG1 3.17Å
187	D	91.5	Very high	93	Very high	37 Å²	37	33.7 Å²	33.7	20%	0.198	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	132.2	176.5	-72.4	-21.9	0	0	0	109.9	N184 E189 P409 K410 V411 A412	N184-D187 VanDerWaalsContact O-CB 3.27Å; N184-D187 WeakPolarHBondContact O-CB 3.16Å; N184-D187 PolarHBondContact O-N 2.86Å; N184-D187 VanDerWaalsContact O-N 3.09Å; D187-E189 PolarHBondContact O-N 2.9Å; D187-P409 WeakPolarHBondContact CB-O 3.2Å; D187-K410 VanDerWaalsContact OD1-C 3.23Å; D187-K410 WeakPolarHBondContact OD1-CA 2.93Å; D187-V411 PolarHBondContact OD1-N 3.09Å; D187-A412 WeakPolarHBondContact OD1-CB 3.45Å; D187-A412 PolarHBondContact OD1-N 2.93Å
188	N	89.8	Confident	92.7	Very high	93 Å²	93	34 Å²	34	50%	0.497	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	13.9	-172.5	-47	-81.5	0	0	0	114.8	L186 V408 P409	L186-N188 PolarHBondContact O-N 2.86Å; N188-V408 PolarHBondContact N-O 2.74Å; N188-V408 VanDerWaalsContact N-O 3.15Å; N188-P409 PolarHBondContact ND2-O 3.23Å; N188-P409 WeakPolarHBondContact OD1-CA 3.41Å; N188-P409 WeakPolarHBondContact OD1-CB 3.43Å
189	E	91.6	Very high	92.4	Very high	53 Å²	53	30.3 Å²	30.3	25%	0.248	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-34.2	174.1	-60.7	-77.5	-162.1	0	0	111.8	K158 R163 W169 T185 L186 D187 W407	K158-E189 IonicContact NZ-OE1 2.77Å; K158-E189 PolarHBondContact NZ-OE1 2.88Å; R163-E189 PolarHBondContact NH1-O 2.84Å; W169-E189 HydrophobicContact CE3-CB 3.91Å; W169-E189 HydrophobicContact CZ3-CB 3.89Å; W169-E189 HydrophobicContact CZ3-CG 4.43Å; T185-E189 WeakPolarHBondContact O-CG 3.35Å; L186-E189 WeakPolarHBondContact O-CB 3.38Å; L186-E189 PolarHBondContact O-N 3.39Å; D187-E189 PolarHBondContact O-N 2.9Å; E189-W407 WeakPolarHBondContact O-CZ3 3.26Å
190	V	93.4	Very high	92.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.			trans	-79.4	129.9	-177.7	177.9	0	0	0	0	109.6	L153 T171 L186 F192 T193 W407 V408 V411	L153-V190 HydrophobicContact CD1-CG2 4.29Å; T171-V190 HydrophobicContact CG2-CB 4.21Å; T171-V190 HydrophobicContact CG2-CG1 3.71Å; T171-V190 HydrophobicContact CG2-CG2 3.41Å; T171-V190 VanDerWaalsContact CG2-CG2 3.41Å; L186-V190 HydrophobicContact CB-CG2 4.18Å; L186-V190 HydrophobicContact CD2-CG2 4.48Å; L186-V190 PolarHBondContact O-N 3.09Å; V190-F192 WeakPolarHBondContact CG1-O 2.77Å; V190-T193 HydrophobicContact CG1-CG2 4.3Å; V190-W407 CarbonylContact O-C 3.37Å; V190-W407 WeakPolarHBondContact O-CA 3.29Å; V190-V408 HydrophobicContact CG1-CG2 4.47Å; V190-V408 PolarHBondContact O-N 3.48Å; V190-V411 HydrophobicContact CB-CB 4.49Å; V190-V411 HydrophobicContact CB-CG1 4.36Å; V190-V411 HydrophobicContact CB-CG2 4.29Å; V190-V411 HydrophobicContact CG1-CG2 4.38Å; V190-V411 HydrophobicContact CG2-CG1 3.98Å; V190-V411 HydrophobicContact CG2-CG2 4.34Å
191	N	93.4	Very high	92.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.			trans	-85	-48.1	172.9	-51	96.9	0	0	0	111.4	R163 L168 W169 Y406	R163-N191 PolarHBondContact NH2-ND2 3.21Å; R163-N191 PolarHBondContact NH2-OD1 2.99Å; L168-N191 WeakPolarHBondContact CA-OD1 3.01Å; W169-N191 PolarHBondContact N-OD1 2.81Å; W169-N191 PolarHBondContact O-N 3.35Å; N191-Y406 WeakPolarHBondContact CA-O 3.32Å; N191-Y406 WeakPolarHBondContact CB-O 3.43Å; N191-Y406 PolarHBondContact ND2-O 2.75Å; N191-Y406 WeakPolarHBondContact O-CD1 3.44Å; N191-Y406 WeakPolarHBondContact O-CE1 3.41Å
192	F	93	Very high	92.1	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.8	-171.4	-56.3	-66.2	0	0	0	110.8	Y76 L168 W169 F170 T171 V190 T201 L396 S400 F403 Y406	Y76-F192 HydrophobicContact CD1-CE1 4.27Å; L168-F192 HydrophobicContact CD1-CE2 4.42Å; L168-F192 HydrophobicContact CD2-CE2 4.36Å; W169-F192 PolarHBondContact O-N 3.01Å; F170-F192 CarbonylContact C-O 3.6Å; F170-F192 VanDerWaalsContact CA-O 3.23Å; F170-F192 WeakPolarHBondContact CA-O 3.49Å; F170-F192 HydrophobicContact CD1-CB 3.51Å; F170-F192 HydrophobicContact CD1-CD2 4.03Å; F170-F192 HydrophobicContact CD1-CG 4.19Å; F170-F192 HydrophobicContact CE1-CB 3.63Å; F170-F192 AromaticContact CE1-CD2 3.42Å; F170-F192 HydrophobicContact CE1-CD2 3.42Å; F170-F192 VanDerWaalsContact CE1-CD2 3.42Å; F170-F192 HydrophobicContact CE1-CE2 4.35Å; F170-F192 AromaticContact CE1-CG 3.82Å; F170-F192 HydrophobicContact CE1-CG 3.82Å; F170-F192 HydrophobicContact CE2-CD2 4Å; F170-F192 HydrophobicContact CG-CB 4.26Å; F170-F192 HydrophobicContact CZ-CB 4.45Å; F170-F192 AromaticContact CZ-CD2 3.41Å; F170-F192 HydrophobicContact CZ-CD2 3.41Å; F170-F192 VanDerWaalsContact CZ-CD2 3.41Å; F170-F192 HydrophobicContact CZ-CE2 4.02Å; F170-F192 HydrophobicContact CZ-CG 4.27Å; T171-F192 PolarHBondContact N-O 3.17Å; V190-F192 WeakPolarHBondContact CG1-O 2.77Å; F192-T201 HydrophobicContact CB-CG2 4.13Å; F192-T201 HydrophobicContact CD1-CG2 3.47Å; F192-T201 VanDerWaalsContact CD1-CG2 3.47Å; F192-T201 HydrophobicContact CE1-CG2 4.3Å; F192-T201 HydrophobicContact CG-CG2 4.21Å; F192-L396 HydrophobicContact CD1-CD1 3.93Å; F192-L396 HydrophobicContact CD2-CD1 4.14Å; F192-L396 HydrophobicContact CE1-CD1 4.05Å; F192-L396 HydrophobicContact CE1-CD2 3.87Å; F192-L396 HydrophobicContact CE2-CB 4.13Å; F192-L396 HydrophobicContact CE2-CD1 4.29Å; F192-L396 HydrophobicContact CE2-CD2 4.43Å; F192-L396 HydrophobicContact CG-CD1 3.94Å; F192-L396 HydrophobicContact CZ-CB 4.33Å; F192-L396 HydrophobicContact CZ-CD1 4.24Å; F192-L396 HydrophobicContact CZ-CD2 3.8Å; F192-L396 HydrophobicContact CZ-CG 4.36Å; F192-S400 WeakPolarHBondContact CE2-OG 3.27Å; F192-S400 WeakPolarHBondContact CZ-OG 3.45Å; F192-F403 HydrophobicContact CZ-CZ 4.32Å; F192-Y406 AromaticContact CD1-CD1 3.76Å; F192-Y406 HydrophobicContact CD1-CD1 3.76Å; F192-Y406 HydrophobicContact CD1-CE1 4.21Å; F192-Y406 AromaticContact CE1-CD1 3.73Å; F192-Y406 HydrophobicContact CE1-CD1 3.73Å
193	T	93.1	Very high	92	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.1	176.8	56.5	0	0	0	0	110.5	V190 S200 T201 I202 V408 V411 W414	V190-T193 HydrophobicContact CG1-CG2 4.3Å; T193-S200 WeakPolarHBondContact OG1-CA 3.28Å; T193-T201 PolarHBondContact N-OG1 3.17Å; T193-T201 VanDerWaalsContact N-OG1 3.11Å; T193-T201 WeakPolarHBondContact O-CA 3.42Å; T193-T201 WeakPolarHBondContact O-CB 3.31Å; T193-T201 PolarHBondContact O-N 2.9Å; T193-T201 PolarHBondContact OG1-N 3.33Å; T193-T201 PolarHBondContact OG1-OG1 3.33Å; T193-I202 PolarHBondContact O-N 2.88Å; T193-V408 HydrophobicContact CG2-CG2 4.03Å; T193-V411 HydrophobicContact CG2-CG2 3.89Å; T193-W414 HydrophobicContact CG2-CE3 4.2Å; T193-W414 HydrophobicContact CG2-CH2 3.99Å; T193-W414 HydrophobicContact CG2-CZ3 3.66Å
194	I	93.9	Very high	91.9	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	111.5	177.6	-44.2	-178.4	0	0	0	107.9	F170 T171 L172 I173 I202 P389 M393	F170-I194 HydrophobicContact CB-CD1 4.22Å; F170-I194 HydrophobicContact CD1-CD1 3.91Å; F170-I194 HydrophobicContact CD1-CG1 4.31Å; F170-I194 HydrophobicContact CG-CD1 4.48Å; T171-I194 WeakPolarHBondContact O-CA 3.33Å; T171-I194 WeakPolarHBondContact O-CB 3.41Å; T171-I194 PolarHBondContact O-N 2.76Å; L172-I194 WeakPolarHBondContact CA-O 3.34Å; L172-I194 HydrophobicContact CB-CB 4.28Å; L172-I194 HydrophobicContact CD1-CD1 4.39Å; L172-I194 HydrophobicContact CG-CB 4.18Å; L172-I194 HydrophobicContact CG-CG2 4.19Å; I173-I194 PolarHBondContact N-O 2.91Å; I194-I202 WeakPolarHBondContact CA-O 3.37Å; I194-I202 HydrophobicContact CB-CB 4.49Å; I194-I202 HydrophobicContact CD1-CD1 3.98Å; I194-I202 HydrophobicContact CG1-CB 4.12Å; I194-I202 HydrophobicContact CG1-CD1 3.99Å; I194-I202 HydrophobicContact CG1-CG1 4.48Å; I194-I202 HydrophobicContact CG2-CB 4.23Å; I194-I202 HydrophobicContact CG2-CG2 4.24Å; I194-P389 HydrophobicContact CG2-CB 3.68Å; I194-P389 HydrophobicContact CG2-CG 4.41Å; I194-M393 HydrophobicContact CD1-CE 4.35Å; I194-M393 HydrophobicContact CD1-CG 3.43Å; I194-M393 VanDerWaalsContact CD1-CG 3.43Å; I194-M393 HydrophobicContact CD1-SD 3.47Å; I194-M393 WeakPolarHBondContact CD1-SD 3.25Å
195	S	93.7	Very high	92	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.014	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	176.8	176.3	70.8	0	0	0	0	112	I173 R197 S200 S204	I173-S195 WeakPolarHBondContact O-CA 3.39Å; I173-S195 WeakPolarHBondContact O-CB 3.26Å; S195-R197 PolarHBondContact O-N 2.9Å; S195-R197 WeakPolarHBondContact OG-CB 3.4Å; S195-R197 PolarHBondContact OG-N 3.15Å; S195-R197 VanDerWaalsContact OG-N 3.16Å; S195-S200 PolarHBondContact O-OG 3.36Å; S195-S204 CarbonylContact C-O 3.45Å; S195-S204 PolarHBondContact O-N 3.03Å
196	F	93.3	Very high	92	Very high	3 Å²	3	15.8 Å²	15.8	1%	0.013	8%	0.079	C	C	.	.	S	Bend	trans	-66.9	-7.4	170.5	60.8	-100.4	0	0	0	113.4	H174 E175 L198 Y203 S204 Y206 W308 Y309 W415	H174-F196 WeakPolarHBondContact O-CD1 3.29Å; H174-F196 WeakPolarHBondContact O-CE1 3.37Å; E175-F196 WeakPolarHBondContact O-CE1 3.42Å; F196-L198 PolarHBondContact O-N 3.14Å; F196-Y203 VanDerWaalsContact O-CE2 3.26Å; F196-Y203 WeakPolarHBondContact O-CE2 3.47Å; F196-S204 WeakPolarHBondContact CA-O 3.48Å; F196-S204 PolarHBondContact N-O 3.07Å; F196-Y206 HydrophobicContact CB-CD2 4.14Å; F196-Y206 HydrophobicContact CB-CE2 4.37Å; F196-Y206 HydrophobicContact CD1-CE2 4.07Å; F196-W308 HydrophobicContact CD2-CB 4.14Å; F196-W308 VanDerWaalsContact CD2-O 3.28Å; F196-W308 WeakPolarHBondContact CD2-O 3.36Å; F196-Y309 AromaticContact CD1-CD2 3.91Å; F196-Y309 HydrophobicContact CD1-CD2 3.91Å; F196-Y309 HydrophobicContact CD1-CE2 4.3Å; F196-Y309 HydrophobicContact CD2-CD2 4.19Å; F196-Y309 AromaticContact CE1-CD2 3.41Å; F196-Y309 HydrophobicContact CE1-CD2 3.41Å; F196-Y309 VanDerWaalsContact CE1-CD2 3.41Å; F196-Y309 AromaticContact CE1-CE2 3.82Å; F196-Y309 HydrophobicContact CE1-CE2 3.82Å; F196-Y309 AromaticContact CE2-CD2 3.75Å; F196-Y309 HydrophobicContact CE2-CD2 3.75Å; F196-Y309 HydrophobicContact CE2-CG 4.26Å; F196-Y309 HydrophobicContact CG-CD2 4.29Å; F196-Y309 AromaticContact CZ-CD2 3.35Å; F196-Y309 HydrophobicContact CZ-CD2 3.35Å; F196-Y309 HydrophobicContact CZ-CE2 4.16Å; F196-Y309 HydrophobicContact CZ-CG 4.13Å; F196-W415 AromaticContact CE1-CH2 3.6Å; F196-W415 HydrophobicContact CE1-CH2 3.6Å; F196-W415 HydrophobicContact CE1-CZ3 4.33Å; F196-W415 AromaticContact CZ-CH2 3.56Å; F196-W415 HydrophobicContact CZ-CH2 3.56Å; F196-W415 HydrophobicContact CZ-CZ3 4.04Å
197	R	92	Very high	92.1	Very high	11 Å²	11	15.9 Å²	15.9	4%	0.042	8%	0.08	C	C	.	.			trans	-74.4	129.1	178.1	-69.2	-178.6	58.4	143.3	-7.5	109.3	S195 D199 S200 W308 W414 W415	S195-R197 PolarHBondContact O-N 2.9Å; S195-R197 WeakPolarHBondContact OG-CB 3.4Å; S195-R197 PolarHBondContact OG-N 3.15Å; S195-R197 VanDerWaalsContact OG-N 3.16Å; R197-D199 VanDerWaalsContact CB-OD1 3.26Å; R197-D199 WeakPolarHBondContact CB-OD1 3.36Å; R197-D199 IonicContact CZ-OD1 3.61Å; R197-D199 IonicContact CZ-OD2 2.87Å; R197-D199 IonicContact NE-OD1 3.08Å; R197-D199 PolarHBondContact NE-OD1 3.48Å; R197-D199 IonicContact NE-OD2 3.2Å; R197-D199 IonicContact NH2-OD1 3.76Å; R197-D199 PolarHBondContact NH2-OD1 2.89Å; R197-D199 IonicContact NH2-OD2 3.38Å; R197-D199 PolarHBondContact NH2-OD2 2.92Å; R197-D199 PolarHBondContact O-N 3.13Å; R197-D199 VanDerWaalsContact O-N 3.12Å; R197-S200 WeakPolarHBondContact O-CB 3.42Å; R197-S200 PolarHBondContact O-N 2.96Å; R197-S200 PolarHBondContact O-OG 3.36Å; R197-W308 HydrophobicContact CG-CB 4.41Å; R197-W414 HydrophobicContact CB-CZ2 4.12Å; R197-W414 PolarHBondContact NH1-O 3.41Å; R197-W415 HydrophobicContact CG-CZ3 4.01Å
198	L	88.4	Confident	92.2	Very high	17 Å²	17	17.9 Å²	17.9	9%	0.089	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.6	178.3	-163.8	68.8	0	0	0	111.3	S88 L89 F196 S200 Y203 W308	S88-L198 CarbonylContact C-O 3.6Å; L89-L198 HydrophobicContact CD2-CD1 4.15Å; F196-L198 PolarHBondContact O-N 3.14Å; L198-S200 VanDerWaalsContact C-N 3.31Å; L198-S200 PolarHBondContact O-N 3.34Å; L198-Y203 HydrophobicContact CB-CE2 4.34Å; L198-Y203 HydrophobicContact CD1-CD1 3.96Å; L198-Y203 HydrophobicContact CD1-CD2 4.12Å; L198-Y203 HydrophobicContact CD1-CE1 3.72Å; L198-Y203 HydrophobicContact CD1-CE2 3.87Å; L198-Y203 HydrophobicContact CD1-CG 4.14Å; L198-W308 HydrophobicContact CB-CD2 3.76Å; L198-W308 HydrophobicContact CB-CE3 4.08Å; L198-W308 HydrophobicContact CB-CG 4.27Å; L198-W308 HydrophobicContact CB-CH2 4.11Å; L198-W308 HydrophobicContact CB-CZ2 3.78Å; L198-W308 HydrophobicContact CB-CZ3 4.24Å; L198-W308 HydrophobicContact CD2-CH2 3.45Å; L198-W308 VanDerWaalsContact CD2-CH2 3.45Å; L198-W308 HydrophobicContact CD2-CZ2 3.7Å; L198-W308 HydrophobicContact CD2-CZ3 3.93Å; L198-W308 HydrophobicContact CG-CH2 4.42Å; L198-W308 HydrophobicContact CG-CZ2 4.4Å
199	D	88.1	Confident	92.5	Very high	20 Å²	20	14.3 Å²	14.3	11%	0.107	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	15.5	179.4	70.9	-17.7	0	0	0	115.2	V84 R197 W414	V84-D199 HydrophobicContact CG1-CB 3.46Å; V84-D199 VanDerWaalsContact CG1-CB 3.46Å; V84-D199 WeakPolarHBondContact CG1-OD2 3.43Å; R197-D199 VanDerWaalsContact CB-OD1 3.26Å; R197-D199 WeakPolarHBondContact CB-OD1 3.36Å; R197-D199 IonicContact CZ-OD1 3.61Å; R197-D199 IonicContact CZ-OD2 2.87Å; R197-D199 IonicContact NE-OD1 3.08Å; R197-D199 PolarHBondContact NE-OD1 3.48Å; R197-D199 IonicContact NE-OD2 3.2Å; R197-D199 IonicContact NH2-OD1 3.76Å; R197-D199 PolarHBondContact NH2-OD1 2.89Å; R197-D199 IonicContact NH2-OD2 3.38Å; R197-D199 PolarHBondContact NH2-OD2 2.92Å; R197-D199 PolarHBondContact O-N 3.13Å; R197-D199 VanDerWaalsContact O-N 3.12Å; D199-W414 VanDerWaalsContact CG-NE1 3.25Å; D199-W414 PolarHBondContact OD1-NE1 2.84Å; D199-W414 PolarHBondContact OD2-NE1 2.98Å
200	S	90.3	Very high	92.6	Very high	6 Å²	6	16.4 Å²	16.4	4%	0.042	8%	0.075	C	C	.	.	S	Bend	trans	-74.6	164	169.7	60.7	0	0	0	0	111.6	T193 S195 R197 L198 I202 Y203	T193-S200 WeakPolarHBondContact OG1-CA 3.28Å; S195-S200 PolarHBondContact O-OG 3.36Å; R197-S200 WeakPolarHBondContact O-CB 3.42Å; R197-S200 PolarHBondContact O-N 2.96Å; R197-S200 PolarHBondContact O-OG 3.36Å; L198-S200 VanDerWaalsContact C-N 3.31Å; L198-S200 PolarHBondContact O-N 3.34Å; S200-I202 PolarHBondContact OG-O 3.23Å; S200-Y203 WeakPolarHBondContact OG-CA 3.41Å
201	T	90.5	Very high	92.8	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.043	9%	0.087	C	C	.	.	S	Bend	trans	-64.1	-48.4	175.5	-51.3	0	0	0	0	110.2	Y76 F91 F192 T193 L396	Y76-T201 HydrophobicContact CD1-CG2 4.39Å; Y76-T201 HydrophobicContact CE1-CG2 3.91Å; F91-T201 WeakPolarHBondContact CB-O 3.46Å; F192-T201 HydrophobicContact CB-CG2 4.13Å; F192-T201 HydrophobicContact CD1-CG2 3.47Å; F192-T201 VanDerWaalsContact CD1-CG2 3.47Å; F192-T201 HydrophobicContact CE1-CG2 4.3Å; F192-T201 HydrophobicContact CG-CG2 4.21Å; T193-T201 PolarHBondContact N-OG1 3.17Å; T193-T201 VanDerWaalsContact N-OG1 3.11Å; T193-T201 WeakPolarHBondContact O-CA 3.42Å; T193-T201 WeakPolarHBondContact O-CB 3.31Å; T193-T201 PolarHBondContact O-N 2.9Å; T193-T201 PolarHBondContact OG1-N 3.33Å; T193-T201 PolarHBondContact OG1-OG1 3.33Å; T201-L396 HydrophobicContact CG2-CD1 4.43Å
202	I	91.9	Very high	92.9	Very high	5 Å²	5	24 Å²	24	3%	0.026	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.5	174.8	-59	168.3	0	0	0	107.5	F170 T193 I194 S200 S204 P389 A392 M393 L396	F170-I202 HydrophobicContact CD1-CD1 4.46Å; F170-I202 HydrophobicContact CE1-CD1 4.26Å; T193-I202 PolarHBondContact O-N 2.88Å; I194-I202 WeakPolarHBondContact CA-O 3.37Å; I194-I202 HydrophobicContact CB-CB 4.49Å; I194-I202 HydrophobicContact CD1-CD1 3.98Å; I194-I202 HydrophobicContact CG1-CB 4.12Å; I194-I202 HydrophobicContact CG1-CD1 3.99Å; I194-I202 HydrophobicContact CG1-CG1 4.48Å; I194-I202 HydrophobicContact CG2-CB 4.23Å; I194-I202 HydrophobicContact CG2-CG2 4.24Å; S200-I202 PolarHBondContact OG-O 3.23Å; I202-S204 PolarHBondContact O-N 3.37Å; I202-P389 HydrophobicContact CG2-CB 3.81Å; I202-A392 HydrophobicContact CB-CB 4.47Å; I202-A392 HydrophobicContact CD1-CB 3.62Å; I202-A392 HydrophobicContact CG1-CB 3.76Å; I202-A392 HydrophobicContact CG2-CB 3.86Å; I202-M393 HydrophobicContact CD1-CG 3.88Å; I202-L396 HydrophobicContact CD1-CD1 3.95Å; I202-L396 HydrophobicContact CG1-CD1 4.26Å
203	Y	91.5	Very high	92.9	Very high	50 Å²	50	26.2 Å²	26.2	20%	0.196	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	117.9	175.9	179.7	-130.7	0	0	0	110.4	L89 F196 L198 S200 P205	L89-Y203 HydrophobicContact CD2-CD1 4.47Å; F196-Y203 VanDerWaalsContact O-CE2 3.26Å; F196-Y203 WeakPolarHBondContact O-CE2 3.47Å; L198-Y203 HydrophobicContact CB-CE2 4.34Å; L198-Y203 HydrophobicContact CD1-CD1 3.96Å; L198-Y203 HydrophobicContact CD1-CD2 4.12Å; L198-Y203 HydrophobicContact CD1-CE1 3.72Å; L198-Y203 HydrophobicContact CD1-CE2 3.87Å; L198-Y203 HydrophobicContact CD1-CG 4.14Å; S200-Y203 WeakPolarHBondContact OG-CA 3.41Å; Y203-P205 HydrophobicContact CD1-CG 4.09Å; Y203-P205 HydrophobicContact CE1-CB 4.07Å; Y203-P205 HydrophobicContact CE1-CG 3.54Å; Y203-P205 HydrophobicContact CE2-CB 3.76Å; Y203-P205 HydrophobicContact CE2-CG 4.04Å; Y203-P205 VanDerWaalsContact CZ-CB 3.49Å; Y203-P205 WeakPolarHBondContact OH-CB 3.4Å
204	S	92.5	Very high	92.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.			trans	-130.9	73.1	-176.6	-177.3	0	0	0	0	109.4	H174 S195 F196 I202 S387	H174-S204 PolarHBondContact CE1-O 3.31Å; H174-S204 PolarHBondContact CE1-OG 3.29Å; H174-S204 PolarHBondContact NE2-OG 2.93Å; S195-S204 CarbonylContact C-O 3.45Å; S195-S204 PolarHBondContact O-N 3.03Å; F196-S204 WeakPolarHBondContact CA-O 3.48Å; F196-S204 PolarHBondContact N-O 3.07Å; I202-S204 PolarHBondContact O-N 3.37Å; S204-S387 PolarHBondContact OG-OG 2.76Å
205	P	93.9	Very high	92.5	Very high	7 Å²	7	45.7 Å²	45.7	5%	0.045	21%	0.209	C	C	.	.			trans	-75.9	163.8	-179	33.3	-37.1	0	0	0	112.2	Y203 G207 Y208 S387	Y203-P205 HydrophobicContact CD1-CG 4.09Å; Y203-P205 HydrophobicContact CE1-CB 4.07Å; Y203-P205 HydrophobicContact CE1-CG 3.54Å; Y203-P205 HydrophobicContact CE2-CB 3.76Å; Y203-P205 HydrophobicContact CE2-CG 4.04Å; Y203-P205 VanDerWaalsContact CZ-CB 3.49Å; Y203-P205 WeakPolarHBondContact OH-CB 3.4Å; P205-G207 PolarHBondContact O-N 3.42Å; P205-Y208 HydrophobicContact CG-CD1 4.22Å; P205-S387 PolarHBondContact O-OG 3.33Å
206	Y	94	Very high	92.3	Very high	12 Å²	12	47.7 Å²	47.7	5%	0.047	22%	0.218	C	C	.	.	S	Bend	trans	-69.2	-21.6	169.8	-77.2	-107.2	0	0	0	112.9	H174 F196 Y309 T311 E312 D384 W385	H174-Y206 HydrophobicContact CB-CE2 4.29Å; H174-Y206 WeakPolarHBondContact O-CE2 3.43Å; H174-Y206 PolarHBondContact O-OH 3.18Å; F196-Y206 HydrophobicContact CB-CD2 4.14Å; F196-Y206 HydrophobicContact CB-CE2 4.37Å; F196-Y206 HydrophobicContact CD1-CE2 4.07Å; Y206-Y309 HydrophobicContact CE2-CE2 4.44Å; Y206-T311 HydrophobicContact CD1-CG2 4.27Å; Y206-T311 HydrophobicContact CD2-CG2 4.13Å; Y206-T311 HydrophobicContact CE1-CG2 4.11Å; Y206-T311 HydrophobicContact CE2-CG2 3.98Å; Y206-T311 HydrophobicContact CG-CG2 4.3Å; Y206-E312 HydrophobicContact CD1-CB 4.45Å; Y206-E312 WeakPolarHBondContact CD1-OE2 3.19Å; Y206-E312 VanDerWaalsContact CE1-OE2 3.24Å; Y206-E312 WeakPolarHBondContact CE1-OE2 3.41Å; Y206-D384 CarbonylContact O-C 3.6Å; Y206-W385 AromaticContact CD1-CE2 3.53Å; Y206-W385 AromaticContact CD1-CZ2 3.58Å; Y206-W385 HydrophobicContact CD1-CZ2 3.58Å; Y206-W385 AromaticContact CD1-NE1 3.18Å; Y206-W385 AromaticContact CE1-CE2 3.83Å; Y206-W385 HydrophobicContact CE1-CH2 4.47Å; Y206-W385 AromaticContact CE1-CZ2 3.38Å; Y206-W385 HydrophobicContact CE1-CZ2 3.38Å; Y206-W385 AromaticContact CE1-NE1 3.78Å; Y206-W385 HydrophobicContact CG-CZ2 4.28Å; Y206-W385 AromaticContact CG-NE1 3.97Å; Y206-W385 AromaticContact CZ-CZ2 3.92Å; Y206-W385 PolarHBondContact O-N 3.21Å
207	G	94.3	Very high	92.2	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	170.8	179.6	0	0	0	0	0	111.1	P205 F315 H383	P205-G207 PolarHBondContact O-N 3.42Å; G207-F315 VanDerWaalsContact C-CZ 3.41Å; G207-F315 WeakPolarHBondContact O-CE2 3.08Å; G207-F315 WeakPolarHBondContact O-CZ 3.06Å; G207-H383 WeakPolarHBondContact CA-O 3.41Å
208	Y	94.3	Very high	91.9	Very high	80 Å²	80	56 Å²	56	31%	0.314	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	161.4	177.1	59.3	-85.1	0	0	0	110	P205 E210 H383	P205-Y208 HydrophobicContact CG-CD1 4.22Å; Y208-E210 HydrophobicContact CE2-CB 4.25Å; Y208-H383 HydrophobicContact CD1-CB 3.78Å; Y208-H383 HydrophobicContact CD2-CB 4.25Å; Y208-H383 AromaticContact CD2-CD2 3.9Å; Y208-H383 HydrophobicContact CE1-CB 3.52Å; Y208-H383 AromaticContact CE1-CG 3.88Å; Y208-H383 HydrophobicContact CE2-CB 4.03Å; Y208-H383 AromaticContact CE2-CD2 3.31Å; Y208-H383 WeakPolarHBondContact CE2-CD2 3.5Å; Y208-H383 AromaticContact CE2-CG 3.71Å; Y208-H383 HydrophobicContact CG-CB 4.13Å; Y208-H383 AromaticContact CZ-CD2 3.57Å; Y208-H383 AromaticContact CZ-CG 3.47Å; Y208-H383 VanDerWaalsContact CZ-CG 3.47Å; Y208-H383 PolarHBondContact N-O 3.2Å; Y208-H383 PolarHBondContact O-N 2.85Å
209	Y	95.6	Very high	92.1	Very high	18 Å²	18	61.5 Å²	61.5	7%	0.071	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.8	170	176.8	-119.9	0	0	0	110.7	P211 H216 V338 P340 W376 H379 G380 I381 I382	Y209-P211 HydrophobicContact CD1-CB 4.47Å; Y209-P211 HydrophobicContact CE1-CB 3.85Å; Y209-P211 WeakPolarHBondContact O-CD 3.49Å; Y209-H216 AromaticContact CD1-NE2 3.94Å; Y209-H216 AromaticContact CE1-CE1 3.95Å; Y209-H216 AromaticContact CE1-NE2 3.87Å; Y209-V338 PolarHBondContact N-O 3.32Å; Y209-P340 HydrophobicContact CD1-CB 4.01Å; Y209-P340 HydrophobicContact CD1-CG 4.32Å; Y209-P340 HydrophobicContact CD2-CB 3.96Å; Y209-P340 HydrophobicContact CD2-CG 3.59Å; Y209-P340 HydrophobicContact CE1-CB 4.09Å; Y209-P340 HydrophobicContact CE2-CB 4Å; Y209-P340 HydrophobicContact CE2-CG 4Å; Y209-P340 HydrophobicContact CG-CB 3.94Å; Y209-P340 HydrophobicContact CG-CG 3.73Å; Y209-W376 HydrophobicContact CD2-CE3 4.48Å; Y209-W376 AromaticContact CE2-CE3 3.91Å; Y209-W376 HydrophobicContact CE2-CE3 3.91Å; Y209-W376 HydrophobicContact CE2-CZ3 4.48Å; Y209-H379 PolarHBondContact OH-O 3.46Å; Y209-H379 VanDerWaalsContact OH-O 3.1Å; Y209-G380 VanDerWaalsContact CE2-CA 3.47Å; Y209-G380 WeakPolarHBondContact OH-CA 3.35Å; Y209-G380 PolarHBondContact OH-N 3.46Å; Y209-I381 WeakPolarHBondContact CD2-O 3.22Å; Y209-I382 HydrophobicContact CD2-CD1 3.89Å
210	E	94.5	Very high	92.3	Very high	97 Å²	97	62.1 Å²	62.1	45%	0.453	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	106.1	170.4	-173.1	-175.5	179.6	0	0	109.2	Y208 G380 I381 H383	Y208-E210 HydrophobicContact CE2-CB 4.25Å; E210-G380 CarbonylContact O-C 3.56Å; E210-G380 WeakPolarHBondContact O-CA 3.23Å; E210-I381 PolarHBondContact N-O 3.36Å; E210-I381 PolarHBondContact O-N 3.15Å; E210-H383 IonicContact OE2-CD2 2.82Å; E210-H383 IonicContact OE2-CE1 3.49Å; E210-H383 IonicContact OE2-NE2 2.73Å; E210-H383 PolarHBondContact OE2-NE2 2.75Å
211	P	96.2	Very high	92.5	Very high	41 Å²	41	71.1 Å²	71.1	27%	0.266	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	140.2	176.1	31.7	-36.7	0	0	0	111.4	Y209 S213 H216	Y209-P211 HydrophobicContact CD1-CB 4.47Å; Y209-P211 HydrophobicContact CE1-CB 3.85Å; Y209-P211 WeakPolarHBondContact O-CD 3.49Å; P211-S213 VanDerWaalsContact C-N 3.27Å; P211-S213 PolarHBondContact O-N 3.4Å; P211-H216 HydrophobicContact CB-CB 3.41Å; P211-H216 VanDerWaalsContact CB-CB 3.41Å; P211-H216 VanDerWaalsContact CB-CG 3.45Å; P211-H216 HydrophobicContact CG-CB 3.64Å
212	H	96	Very high	92.7	Very high	117 Å²	117	72.4 Å²	72.4	54%	0.542	33%	0.328	S	S	.	.	S	Bend	trans	-67.7	-31.2	171.1	-61.8	157.5	0	0	0	112.1	G378 H379	H212-G378 PolarHBondContact CE1-O 3.2Å; H212-G378 PolarHBondContact ND1-O 3.41Å; H212-G378 VanDerWaalsContact ND1-O 3.1Å; H212-H379 PolarHBondContact N-O 2.8Å
213	S	93.2	Very high	92.9	Very high	48 Å²	48	76.5 Å²	76.5	34%	0.336	36%	0.355	S	S	.	.			trans	-88.2	131.8	179.9	-178.5	0	0	0	0	111.3	P211 Y215 H216	P211-S213 VanDerWaalsContact C-N 3.27Å; P211-S213 PolarHBondContact O-N 3.4Å; S213-Y215 PolarHBondContact O-N 3.34Å; S213-Y215 PolarHBondContact OG-N 3.37Å; S213-H216 WeakPolarHBondContact O-CB 3.25Å; S213-H216 PolarHBondContact O-N 2.68Å
214	K	88.9	Confident	93	Very high	208 Å²	208	78.7 Å²	78.7	90%	0.904	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-17.1	171.6	-64.1	-176.3	178.5	-178.2	0	113.7	H216	K214-H216 VanDerWaalsContact C-N 3.29Å
215	Y	88.9	Confident	93.1	Very high	208 Å²	208	80.1 Å²	80.1	82%	0.816	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	15.8	177.5	-54.7	-73.7	0	0	0	112.4	S213	S213-Y215 PolarHBondContact O-N 3.34Å; S213-Y215 PolarHBondContact OG-N 3.37Å
216	H	91	Very high	93.2	Very high	44 Å²	44	86.4 Å²	86.4	20%	0.204	42%	0.422	C	S	.	.			trans	-67.5	135.9	176	175.1	59.9	0	0	0	111.1	Y209 P211 S213 K214 Y222	Y209-H216 AromaticContact CD1-NE2 3.94Å; Y209-H216 AromaticContact CE1-CE1 3.95Å; Y209-H216 AromaticContact CE1-NE2 3.87Å; P211-H216 HydrophobicContact CB-CB 3.41Å; P211-H216 VanDerWaalsContact CB-CB 3.41Å; P211-H216 VanDerWaalsContact CB-CG 3.45Å; P211-H216 HydrophobicContact CG-CB 3.64Å; S213-H216 WeakPolarHBondContact O-CB 3.25Å; S213-H216 PolarHBondContact O-N 2.68Å; K214-H216 VanDerWaalsContact C-N 3.29Å; H216-Y222 AromaticContact ND1-CZ 3.89Å; H216-Y222 PolarHBondContact ND1-OH 3.29Å
217	E	89.6	Confident	93.3	Very high	131 Å²	131	91.7 Å²	91.7	61%	0.612	44%	0.442	S	S	*	.			trans	-129.8	157.7	171.3	-65.7	-174.6	178.5	0	0	109.5	K219 T220	E217-K219 PolarHBondContact O-N 2.8Å; E217-T220 PolarHBondContact N-OG1 3.07Å; E217-T220 WeakPolarHBondContact O-CB 3.34Å; E217-T220 PolarHBondContact O-N 2.96Å; E217-T220 PolarHBondContact O-OG1 2.77Å
218	P	87.4	Confident	93.5	Very high	59 Å²	59	94.4 Å²	94.4	38%	0.383	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-22.3	178.9	-32.1	38.2	0	0	0	115.6	E336 P341	P218-E336 HydrophobicContact CB-CB 4.4Å; P218-E336 WeakPolarHBondContact CB-O 3.24Å; P218-P341 VanDerWaalsContact O-CB 3.28Å; P218-P341 WeakPolarHBondContact O-CB 3.38Å
219	K	90.9	Very high	93.6	Very high	132 Å²	132	91.6 Å²	91.6	57%	0.574	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	13.5	-179.6	-61.7	-173.9	178.9	-179.7	0	113.9	E217 R221 Y342	E217-K219 PolarHBondContact O-N 2.8Å; K219-R221 PolarHBondContact O-N 2.89Å; K219-Y342 WeakPolarHBondContact O-CE2 3.47Å; K219-Y342 PolarHBondContact O-OH 2.91Å
220	T	93.1	Very high	93.7	Very high	33 Å²	33	90.9 Å²	90.9	20%	0.202	44%	0.443	C	S	.	.			trans	-57.2	127.2	174.8	-61.3	0	0	0	0	110.3	E217 Y222 P341	E217-T220 PolarHBondContact N-OG1 3.07Å; E217-T220 WeakPolarHBondContact O-CB 3.34Å; E217-T220 PolarHBondContact O-N 2.96Å; E217-T220 PolarHBondContact O-OG1 2.77Å; T220-Y222 HydrophobicContact CG2-CD1 4.06Å; T220-Y222 HydrophobicContact CG2-CE1 3.6Å; T220-Y222 HydrophobicContact CG2-CE2 4.23Å; T220-P341 VanDerWaalsContact O-CB 3.23Å; T220-P341 WeakPolarHBondContact O-CB 3.31Å; T220-P341 WeakPolarHBondContact O-CG 3.43Å
221	R	94	Very high	93.9	Very high	195 Å²	195	89.4 Å²	89.4	74%	0.736	45%	0.447	S	S	*	.			trans	-94.9	115.6	173.5	-70.1	-174.9	178	-110.7	2.1	109.9	K219 Y342	K219-R221 PolarHBondContact O-N 2.89Å; R221-Y342 HydrophobicContact CG-CD2 4.31Å; R221-Y342 HydrophobicContact CG-CE2 3.53Å
222	Y	95.4	Very high	93.9	Very high	34 Å²	34	91 Å²	91	13%	0.133	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-89.5	155.1	174.1	-64.3	-61.8	0	0	0	111.4	H216 T220 P341 A375 W376 H379	H216-Y222 AromaticContact ND1-CZ 3.89Å; H216-Y222 PolarHBondContact ND1-OH 3.29Å; T220-Y222 HydrophobicContact CG2-CD1 4.06Å; T220-Y222 HydrophobicContact CG2-CE1 3.6Å; T220-Y222 HydrophobicContact CG2-CE2 4.23Å; Y222-P341 HydrophobicContact CD2-CG 3.8Å; Y222-P341 HydrophobicContact CE2-CG 3.44Å; Y222-P341 VanDerWaalsContact CE2-CG 3.44Å; Y222-A375 WeakPolarHBondContact CB-O 3.46Å; Y222-W376 HydrophobicContact CD2-CB 4.09Å; Y222-W376 HydrophobicContact CE2-CB 4.36Å; Y222-H379 HydrophobicContact CD1-CB 3.8Å; Y222-H379 AromaticContact CD1-CD2 3.82Å; Y222-H379 AromaticContact CD1-CE1 3.95Å; Y222-H379 AromaticContact CD1-CG 3.42Å; Y222-H379 VanDerWaalsContact CD1-CG 3.42Å; Y222-H379 AromaticContact CD1-ND1 3.52Å; Y222-H379 HydrophobicContact CD2-CB 4.14Å; Y222-H379 HydrophobicContact CE1-CB 3.63Å; Y222-H379 AromaticContact CE1-CG 3.72Å; Y222-H379 AromaticContact CE1-ND1 3.81Å; Y222-H379 HydrophobicContact CE2-CB 3.95Å; Y222-H379 HydrophobicContact CG-CB 4.05Å; Y222-H379 AromaticContact CG-CD2 3.78Å; Y222-H379 AromaticContact CG-CG 3.76Å
223	P	95	Very high	94	Very high	91 Å²	91	86.1 Å²	86.1	59%	0.591	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-59.5	152.9	171.4	-21.4	33.6	0	0	0	112	A375	P223-A375 WeakPolarHBondContact O-CB 3.2Å
224	L	94.8	Very high	94.2	Very high	96 Å²	96	88.4 Å²	88.4	50%	0.503	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-58.7	141	174.6	-77.5	176	0	0	0	111.3	T368 E372	L224-T368 HydrophobicContact CD1-CG2 4.27Å; L224-E372 HydrophobicContact CD2-CB 4.29Å; L224-E372 HydrophobicContact CD2-CG 3.67Å
225	P	95	Very high	94.6	Very high	30 Å²	30	82 Å²	82	20%	0.195	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-70.6	149.9	178.6	30.8	-32.6	0	0	0	110.5	R227 Y229 N371 F374	P225-R227 VanDerWaalsContact C-N 3.27Å; P225-R227 PolarHBondContact O-N 2.83Å; P225-Y229 HydrophobicContact CB-CD2 4.43Å; P225-Y229 HydrophobicContact CB-CE2 3.86Å; P225-Y229 HydrophobicContact CG-CD2 4.02Å; P225-Y229 HydrophobicContact CG-CE2 3.92Å; P225-N371 HydrophobicContact CG-CB 4.4Å; P225-F374 HydrophobicContact CG-CB 4.27Å
226	S	94.8	Very high	95.1	Very high	138 Å²	138	73.7 Å²	73.7	97%	0.965	41%	0.405	S	S	*	.	S	Bend	trans	-70.2	-26.1	173.7	61.5	0	0	0	0	112.7
227	R	96.6	Very high	95.5	Very high	123 Å²	123	71.6 Å²	71.6	46%	0.464	40%	0.396	S	S	.	.	S	Bend	trans	-82.2	130	176.6	176.5	178.5	174.4	-158.9	-5.7	109.6	P225 Y229 D322 N371	P225-R227 VanDerWaalsContact C-N 3.27Å; P225-R227 PolarHBondContact O-N 2.83Å; R227-Y229 HydrophobicContact CB-CD2 4.33Å; R227-Y229 HydrophobicContact CB-CE2 3.92Å; R227-Y229 HydrophobicContact CG-CD2 4.2Å; R227-Y229 HydrophobicContact CG-CE2 4.07Å; R227-Y229 VanDerWaalsContact O-CD2 3.26Å; R227-Y229 WeakPolarHBondContact O-CD2 3.3Å; R227-Y229 PolarHBondContact O-N 3.27Å; R227-D322 IonicContact CZ-OD2 3.36Å; R227-D322 VanDerWaalsContact CZ-OD2 3.26Å; R227-D322 IonicContact NH1-OD2 3.8Å; R227-D322 PolarHBondContact NH1-OD2 3.14Å; R227-D322 IonicContact NH2-OD2 3.72Å; R227-D322 PolarHBondContact NH2-OD2 3.25Å; R227-N371 PolarHBondContact O-OD1 3.24Å
228	N	97.6	Very high	95.9	Very high	60 Å²	60	65.4 Å²	65.4	32%	0.321	37%	0.366	S	S	.	.			trans	-80.6	103.3	165.6	-178.5	-1.9	0	0	0	109.6	A230 A231 D367 N371	N228-A230 VanDerWaalsContact C-N 3.26Å; N228-A230 PolarHBondContact O-N 3.17Å; N228-A230 WeakPolarHBondContact OD1-CA 3.48Å; N228-A230 VanDerWaalsContact OD1-CB 3.28Å; N228-A230 WeakPolarHBondContact OD1-CB 3.48Å; N228-A230 PolarHBondContact OD1-N 3.21Å; N228-A231 HydrophobicContact CB-CB 4.15Å; N228-A231 WeakPolarHBondContact O-CB 3.4Å; N228-A231 PolarHBondContact O-N 3.11Å; N228-A231 PolarHBondContact OD1-N 2.98Å; N228-D367 PolarHBondContact ND2-OD2 3.06Å; N228-N371 WeakPolarHBondContact CA-OD1 3.35Å; N228-N371 PolarHBondContact OD1-ND2 3.17Å
229	Y	97.8	Very high	96.4	Very high	20 Å²	20	62.6 Å²	62.6	8%	0.078	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.9	177.6	-74.3	-95.3	0	0	0	113.4	P225 R227 K233 D322 N371 F374 H377	P225-Y229 HydrophobicContact CB-CD2 4.43Å; P225-Y229 HydrophobicContact CB-CE2 3.86Å; P225-Y229 HydrophobicContact CG-CD2 4.02Å; P225-Y229 HydrophobicContact CG-CE2 3.92Å; R227-Y229 HydrophobicContact CB-CD2 4.33Å; R227-Y229 HydrophobicContact CB-CE2 3.92Å; R227-Y229 HydrophobicContact CG-CD2 4.2Å; R227-Y229 HydrophobicContact CG-CE2 4.07Å; R227-Y229 VanDerWaalsContact O-CD2 3.26Å; R227-Y229 WeakPolarHBondContact O-CD2 3.3Å; R227-Y229 PolarHBondContact O-N 3.27Å; Y229-K233 WeakPolarHBondContact O-CD 3.33Å; Y229-K233 WeakPolarHBondContact O-CE 3.49Å; Y229-D322 HydrophobicContact CD1-CB 3.9Å; Y229-D322 HydrophobicContact CE1-CB 4.09Å; Y229-N371 WeakPolarHBondContact CB-OD1 3.42Å; Y229-N371 PolarHBondContact N-OD1 3.41Å; Y229-F374 HydrophobicContact CD1-CB 4.42Å; Y229-F374 AromaticContact CD1-CD1 3.61Å; Y229-F374 HydrophobicContact CD1-CD1 3.61Å; Y229-F374 HydrophobicContact CD1-CE1 4.07Å; Y229-F374 HydrophobicContact CD1-CG 4.07Å; Y229-F374 HydrophobicContact CD2-CB 3.54Å; Y229-F374 HydrophobicContact CD2-CD1 4.26Å; Y229-F374 AromaticContact CD2-CG 3.91Å; Y229-F374 HydrophobicContact CD2-CG 3.91Å; Y229-F374 HydrophobicContact CE1-CD1 4.07Å; Y229-F374 HydrophobicContact CE2-CB 3.87Å; Y229-F374 HydrophobicContact CG-CB 3.87Å; Y229-F374 AromaticContact CG-CD1 3.72Å; Y229-F374 HydrophobicContact CG-CD1 3.72Å; Y229-F374 HydrophobicContact CG-CD2 4.26Å; Y229-F374 HydrophobicContact CG-CE1 4.33Å; Y229-F374 AromaticContact CG-CG 3.67Å; Y229-F374 HydrophobicContact CG-CG 3.67Å; Y229-H377 AromaticContact CE1-CD2 3.78Å; Y229-H377 AromaticContact CE1-CE1 3.85Å; Y229-H377 AromaticContact CE1-NE2 3.57Å; Y229-H377 HydrophobicContact CE2-CB 4.48Å; Y229-H377 AromaticContact CZ-CD2 3.56Å; Y229-H377 AromaticContact CZ-CG 3.62Å; Y229-H377 AromaticContact CZ-ND1 3.95Å; Y229-H377 AromaticContact CZ-NE2 3.85Å; Y229-H377 WeakPolarHBondContact OH-CB 3.34Å; Y229-H377 PolarHBondContact OH-CD2 2.79Å; Y229-H377 PolarHBondContact OH-ND1 3.44Å
230	A	97.8	Very high	96.7	Very high	4 Å²	4	58.1 Å²	58.1	3%	0.033	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-23.4	173.6	0	0	0	0	0	112.8	N228 G232 K233 D367 Y370	N228-A230 VanDerWaalsContact C-N 3.26Å; N228-A230 PolarHBondContact O-N 3.17Å; N228-A230 WeakPolarHBondContact OD1-CA 3.48Å; N228-A230 VanDerWaalsContact OD1-CB 3.28Å; N228-A230 WeakPolarHBondContact OD1-CB 3.48Å; N228-A230 PolarHBondContact OD1-N 3.21Å; A230-G232 PolarHBondContact O-N 3.4Å; A230-K233 WeakPolarHBondContact O-CB 3.41Å; A230-K233 PolarHBondContact O-N 2.93Å; A230-K233 VanDerWaalsContact O-N 3.13Å; A230-D367 HydrophobicContact CB-CB 4.31Å; A230-D367 WeakPolarHBondContact CB-OD1 3.49Å; A230-Y370 HydrophobicContact CB-CD1 3.64Å; A230-Y370 HydrophobicContact CB-CE1 4Å; A230-Y370 HydrophobicContact CB-CG 4.34Å
231	A	97.6	Very high	96.8	Very high	65 Å²	65	57 Å²	57	54%	0.537	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	128.3	-171.9	0	0	0	0	0	112	N228 K233	N228-A231 HydrophobicContact CB-CB 4.15Å; N228-A231 WeakPolarHBondContact O-CB 3.4Å; N228-A231 PolarHBondContact O-N 3.11Å; N228-A231 PolarHBondContact OD1-N 2.98Å; A231-K233 VanDerWaalsContact C-N 3.27Å; A231-K233 PolarHBondContact O-N 3.26Å
232	G	96.4	Very high	96.6	Very high	74 Å²	74	49.8 Å²	49.8	76%	0.763	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-17.7	179.9	0	0	0	0	0	115.3	A230 S234	A230-G232 PolarHBondContact O-N 3.4Å; G232-S234 PolarHBondContact O-N 2.84Å
233	K	98.3	Very high	96.5	Very high	16 Å²	16	50.8 Å²	50.8	7%	0.07	31%	0.309	C	S	.	.			trans	-78.5	115	177.6	-63.2	166.7	-179.8	-75.6	0	110.2	Y229 A230 A231 R292 Y295 K296 D322	Y229-K233 WeakPolarHBondContact O-CD 3.33Å; Y229-K233 WeakPolarHBondContact O-CE 3.49Å; A230-K233 WeakPolarHBondContact O-CB 3.41Å; A230-K233 PolarHBondContact O-N 2.93Å; A230-K233 VanDerWaalsContact O-N 3.13Å; A231-K233 VanDerWaalsContact C-N 3.27Å; A231-K233 PolarHBondContact O-N 3.26Å; K233-R292 PolarHBondContact NZ-O 3.48Å; K233-Y295 VanDerWaalsContact CD-O 3.25Å; K233-Y295 WeakPolarHBondContact CD-O 3.49Å; K233-Y295 PolarHBondContact NZ-O 2.04Å; K233-K296 HydrophobicContact CB-CG 3.78Å; K233-K296 HydrophobicContact CD-CG 4Å; K233-K296 WeakPolarHBondContact O-CE 3.26Å; K233-D322 WeakPolarHBondContact CE-O 3.2Å; K233-D322 PolarHBondContact NZ-O 3.45Å
234	S	96.8	Very high	96.5	Very high	96 Å²	96	49 Å²	49	67%	0.671	30%	0.298	S	S	*	.			trans	-104.8	-11.6	-178.4	58.9	0	0	0	0	114.1	G232 N294	G232-S234 PolarHBondContact O-N 2.84Å; S234-N294 PolarHBondContact N-O 2.83Å
235	K	98.5	Very high	96.4	Very high	72 Å²	72	47.7 Å²	47.7	31%	0.313	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	152	-179.3	-58.4	-172.9	172.4	-165.3	0	111.4	D264 N294 Y295 K296	K235-D264 IonicContact NZ-OD2 2.79Å; K235-D264 PolarHBondContact NZ-OD2 2.9Å; K235-N294 WeakPolarHBondContact CA-O 3.38Å; K235-N294 VanDerWaalsContact CB-O 3.32Å; K235-N294 WeakPolarHBondContact CB-O 3.03Å; K235-N294 HydrophobicContact CD-CB 4.28Å; K235-N294 HydrophobicContact CG-CB 4.46Å; K235-N294 PolarHBondContact N-O 2.6Å; K235-Y295 HydrophobicContact CB-CD1 3.45Å; K235-Y295 VanDerWaalsContact CB-CD1 3.45Å; K235-Y295 HydrophobicContact CB-CD2 4.32Å; K235-Y295 HydrophobicContact CB-CE1 3.5Å; K235-Y295 HydrophobicContact CB-CE2 4.43Å; K235-Y295 HydrophobicContact CB-CG 3.92Å; K235-Y295 HydrophobicContact CD-CD1 4.27Å; K235-Y295 HydrophobicContact CD-CD2 4.31Å; K235-Y295 HydrophobicContact CD-CE1 3.57Å; K235-Y295 HydrophobicContact CD-CE2 3.7Å; K235-Y295 WeakPolarHBondContact CD-OH 3.33Å; K235-Y295 HydrophobicContact CG-CE1 4.22Å; K235-Y295 PolarHBondContact NZ-OH 2.82Å; K235-Y295 WeakPolarHBondContact O-CA 3.33Å; K235-K296 PolarHBondContact O-N 3.34Å
236	Q	98.5	Very high	96.3	Very high	35 Å²	35	47.1 Å²	47.1	16%	0.164	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-81.8	-173.1	-63.5	178.5	-44.2	0	0	110.9	I261 S262 K296 F297 D364	Q236-I261 HydrophobicContact CB-CD1 4.11Å; Q236-I261 HydrophobicContact CB-CG1 4.01Å; Q236-I261 VanDerWaalsContact CD-CG1 3.5Å; Q236-I261 HydrophobicContact CG-CD1 4.44Å; Q236-I261 HydrophobicContact CG-CG1 4.31Å; Q236-S262 VanDerWaalsContact OE1-N 3.07Å; Q236-K296 PolarHBondContact O-N 2.64Å; Q236-F297 WeakPolarHBondContact O-CD2 3.27Å; Q236-F297 PolarHBondContact O-N 3.02Å; Q236-D364 PolarHBondContact NE2-OD2 3.44Å
237	V	98.9	Very high	96.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.4	-170.2	-173.1	0	0	0	0	111.3	I261 S262 V263 D264 Y295 F297 L299 L360	V237-I261 HydrophobicContact CG2-CD1 4.17Å; V237-I261 HydrophobicContact CG2-CG1 4.42Å; V237-I261 HydrophobicContact CG2-CG2 4.13Å; V237-S262 WeakPolarHBondContact CB-O 3.27Å; V237-S262 PolarHBondContact N-O 3.17Å; V237-S262 VanDerWaalsContact N-O 3.13Å; V237-V263 HydrophobicContact CB-CB 4.44Å; V237-V263 HydrophobicContact CB-CG1 4.49Å; V237-V263 HydrophobicContact CB-CG2 4.04Å; V237-V263 HydrophobicContact CG1-CG1 4.18Å; V237-V263 HydrophobicContact CG1-CG2 4.23Å; V237-V263 HydrophobicContact CG2-CG2 4.4Å; V237-D264 PolarHBondContact O-N 2.81Å; V237-Y295 VanDerWaalsContact C-CD1 3.48Å; V237-F297 WeakPolarHBondContact CA-O 3.37Å; V237-F297 HydrophobicContact CG2-CB 4.13Å; V237-F297 HydrophobicContact CG2-CD2 4.11Å; V237-L299 HydrophobicContact CG1-CD1 4.18Å; V237-L299 HydrophobicContact CG1-CD2 3.58Å; V237-L299 HydrophobicContact CG1-CG 3.53Å; V237-L360 HydrophobicContact CG2-CD1 4.31Å
238	A	98.7	Very high	96.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	150.2	167.1	0	0	0	0	0	111.3	D264 I291 Y295 F297 Y298 L299	A238-D264 WeakPolarHBondContact CA-O 3.28Å; A238-I291 HydrophobicContact CB-CG2 3.82Å; A238-Y295 HydrophobicContact CB-CD1 3.57Å; A238-Y295 HydrophobicContact CB-CD2 4.03Å; A238-Y295 HydrophobicContact CB-CE1 3.8Å; A238-Y295 HydrophobicContact CB-CE2 4.17Å; A238-Y295 HydrophobicContact CB-CG 3.66Å; A238-F297 PolarHBondContact N-O 2.94Å; A238-Y298 HydrophobicContact CB-CD2 4.28Å; A238-Y298 WeakPolarHBondContact O-CA 3.19Å; A238-L299 PolarHBondContact O-N 2.9Å
239	W	98.5	Very high	96.1	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	122.7	171.8	-172.2	27.5	0	0	0	112.1	V241 R250 L251 A254 D264 I265 Y266 L299 F301	W239-V241 HydrophobicContact CD2-CB 3.95Å; W239-V241 HydrophobicContact CD2-CG1 3.58Å; W239-V241 HydrophobicContact CE3-CB 4.42Å; W239-V241 HydrophobicContact CE3-CG1 3.65Å; W239-V241 HydrophobicContact CG-CB 4.41Å; W239-V241 HydrophobicContact CG-CG1 4.16Å; W239-V241 HydrophobicContact CH2-CB 4.28Å; W239-V241 HydrophobicContact CH2-CG1 4.03Å; W239-V241 HydrophobicContact CH2-CG2 4.05Å; W239-V241 HydrophobicContact CZ2-CB 3.81Å; W239-V241 HydrophobicContact CZ2-CG1 4Å; W239-V241 HydrophobicContact CZ2-CG2 3.68Å; W239-V241 HydrophobicContact CZ3-CG1 3.86Å; W239-R250 HydrophobicContact CH2-CB 4.45Å; W239-R250 HydrophobicContact CH2-CG 4.08Å; W239-R250 HydrophobicContact CZ2-CB 4.26Å; W239-R250 HydrophobicContact CZ2-CG 3.96Å; W239-L251 HydrophobicContact CH2-CB 4.44Å; W239-L251 HydrophobicContact CH2-CD1 4.22Å; W239-L251 HydrophobicContact CZ3-CD1 3.98Å; W239-A254 HydrophobicContact CE3-CB 3.6Å; W239-A254 HydrophobicContact CH2-CB 3.9Å; W239-A254 HydrophobicContact CZ3-CB 3.25Å; W239-D264 PolarHBondContact N-O 3.44Å; W239-I265 HydrophobicContact CE3-CD1 4.1Å; W239-I265 HydrophobicContact CE3-CG1 4.12Å; W239-I265 HydrophobicContact CE3-CG2 3.94Å; W239-I265 HydrophobicContact CZ3-CD1 4.38Å; W239-Y266 PolarHBondContact O-N 3.09Å; W239-L299 HydrophobicContact CB-CB 3.9Å; W239-L299 HydrophobicContact CB-CD1 3.97Å; W239-L299 HydrophobicContact CB-CG 4.1Å; W239-L299 HydrophobicContact CD2-CB 4.29Å; W239-L299 HydrophobicContact CD2-CD1 4.04Å; W239-L299 HydrophobicContact CE3-CD1 4.21Å; W239-L299 HydrophobicContact CG-CB 3.67Å; W239-L299 HydrophobicContact CG-CD1 3.97Å; W239-L299 HydrophobicContact CG-CG 4.24Å; W239-F301 HydrophobicContact CZ2-CB 4.31Å; W239-F301 HydrophobicContact CZ2-CD2 4.38Å
240	F	96.3	Very high	96	Very high	37 Å²	37	39.5 Å²	39.5	16%	0.162	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.8	172	-62	-12.2	0	0	0	109.8	Y266 C274 C287 F288 I291 Y298	F240-Y266 AromaticContact CD1-CD2 3.93Å; F240-Y266 HydrophobicContact CD1-CD2 3.93Å; F240-Y266 AromaticContact CD1-CG 3.94Å; F240-Y266 HydrophobicContact CD1-CG 3.94Å; F240-Y266 HydrophobicContact CE1-CD1 4.39Å; F240-Y266 AromaticContact CE1-CD2 3.71Å; F240-Y266 HydrophobicContact CE1-CD2 3.71Å; F240-Y266 HydrophobicContact CE1-CE2 4.32Å; F240-Y266 AromaticContact CE1-CG 3.77Å; F240-Y266 HydrophobicContact CE1-CG 3.77Å; F240-C274 HydrophobicContact CE1-CB 4.5Å; F240-C287 HydrophobicContact CE2-CB 4.11Å; F240-C287 HydrophobicContact CZ-CB 3.83Å; F240-F288 HydrophobicContact CD2-CE1 4.38Å; F240-F288 HydrophobicContact CE2-CD1 4.22Å; F240-F288 HydrophobicContact CE2-CE1 4.09Å; F240-I291 HydrophobicContact CE1-CG2 3.61Å; F240-I291 HydrophobicContact CE2-CD1 3.85Å; F240-I291 HydrophobicContact CE2-CG1 4.43Å; F240-I291 HydrophobicContact CE2-CG2 4.34Å; F240-I291 HydrophobicContact CZ-CB 4.42Å; F240-I291 HydrophobicContact CZ-CD1 3.98Å; F240-I291 HydrophobicContact CZ-CG1 4.19Å; F240-I291 HydrophobicContact CZ-CG2 3.39Å; F240-Y298 HydrophobicContact CB-CE2 4.27Å; F240-Y298 WeakPolarHBondContact CB-OH 3.44Å; F240-Y298 HydrophobicContact CD1-CE2 4.36Å; F240-Y298 HydrophobicContact CD2-CE2 4.18Å; F240-Y298 HydrophobicContact CG-CE2 4.01Å
241	V	95.5	Very high	96	Very high	10 Å²	10	41.1 Å²	41.1	6%	0.061	27%	0.267	C	S	.	.			trans	-148.8	132.3	-175.9	58.7	0	0	0	0	112.2	W239 I265 Y266 G267 K268 C269	W239-V241 HydrophobicContact CD2-CB 3.95Å; W239-V241 HydrophobicContact CD2-CG1 3.58Å; W239-V241 HydrophobicContact CE3-CB 4.42Å; W239-V241 HydrophobicContact CE3-CG1 3.65Å; W239-V241 HydrophobicContact CG-CB 4.41Å; W239-V241 HydrophobicContact CG-CG1 4.16Å; W239-V241 HydrophobicContact CH2-CB 4.28Å; W239-V241 HydrophobicContact CH2-CG1 4.03Å; W239-V241 HydrophobicContact CH2-CG2 4.05Å; W239-V241 HydrophobicContact CZ2-CB 3.81Å; W239-V241 HydrophobicContact CZ2-CG1 4Å; W239-V241 HydrophobicContact CZ2-CG2 3.68Å; W239-V241 HydrophobicContact CZ3-CG1 3.86Å; V241-I265 HydrophobicContact CG1-CG2 3.52Å; V241-Y266 PolarHBondContact N-O 2.86Å; V241-G267 CarbonylContact O-C 3.53Å; V241-G267 WeakPolarHBondContact O-CA 3.47Å; V241-K268 PolarHBondContact O-N 3.07Å; V241-C269 HydrophobicContact CG1-CB 3.86Å; V241-C269 HydrophobicContact CG2-CB 4.42Å
242	S	90.5	Very high	95.9	Very high	43 Å²	43	42.4 Å²	42.4	30%	0.301	26%	0.262	S	S	.	.			trans	-124.8	-12.5	178.7	68.3	0	0	0	0	114.6	R276	S242-R276 PolarHBondContact OG-NH2 3.39Å
243	N	92.8	Very high	96	Very high	56 Å²	56	38.9 Å²	38.9	30%	0.299	23%	0.226	S	C	.	.			trans	-107.3	100.3	176.7	171.6	16.3	0	0	0	108.9	G245 R250	N243-G245 PolarHBondContact OD1-N 2.93Å; N243-R250 PolarHBondContact O-NH2 3.19Å
244	C	94.3	Very high	96	Very high	53 Å²	53	38.1 Å²	38.1	36%	0.358	22%	0.222	S	C	.	.	S	Bend	trans	-84.7	-27	-172	-42	0	0	0	0	112.5	A246 L251 C269	C244-A246 VanDerWaalsContact C-N 3.32Å; C244-A246 PolarHBondContact O-N 3.45Å; C244-L251 HydrophobicContact CB-CD2 4.18Å; C244-L251 WeakPolarHBondContact O-CD2 3.37Å; C244-C269 WeakPolarHBondContact CA-SG 3.4Å; C244-C269 HydrophobicContact CB-CB 3.9Å; C244-C269 WeakPolarHBondContact CB-SG 3.37Å; C244-C269 PolarHBondContact N-SG 3.1Å; C244-C269 WeakPolarHBondContact SG-CA 3.4Å; C244-C269 WeakPolarHBondContact SG-CB 3.25Å; C244-C269 CovalentContact SG-SG 2.04Å; C244-C269 PolarHBondContact SG-SG 3.37Å
245	G	92.6	Very high	96	Very high	68 Å²	68	37.3 Å²	37.3	70%	0.701	21%	0.21	S	C	*	.	S	Bend	trans	-94.2	44.8	176.6	0	0	0	0	0	112.7	N243	N243-G245 PolarHBondContact OD1-N 2.93Å
246	A	93.7	Very high	96	Very high	19 Å²	19	36.1 Å²	36.1	16%	0.157	21%	0.206	C	C	.	.			trans	-67.1	156	176.4	0	0	0	0	0	111.4	C244 R250 N303	C244-A246 VanDerWaalsContact C-N 3.32Å; C244-A246 PolarHBondContact O-N 3.45Å; A246-R250 HydrophobicContact CB-CG 4.16Å; A246-R250 VanDerWaalsContact CB-NE 3.25Å; A246-N303 HydrophobicContact CB-CB 3.98Å
247	K	93.8	Very high	96	Very high	139 Å²	139	34.5 Å²	34.5	60%	0.604	20%	0.198	S	C	*	.	S	Bend	trans	-74.3	-31.6	177.9	-65.4	-66.2	-167.4	172.1	0	112.4	E178 N303	E178-K247 HydrophobicContact CB-CB 4.4Å; E178-K247 HydrophobicContact CB-CG 4.04Å; E178-K247 HydrophobicContact CG-CB 4.24Å; E178-K247 HydrophobicContact CG-CG 4.29Å; K247-N303 PolarHBondContact N-O 3.16Å; K247-N303 VanDerWaalsContact N-O 3.1Å
248	S	94.9	Very high	96	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.035	22%	0.217	C	C	.	.	S	Bend	trans	-64.2	151.7	167.4	61.6	0	0	0	0	111.9	R250 E302 N303	S248-R250 PolarHBondContact O-N 3.25Å; S248-R250 WeakPolarHBondContact OG-CD 3.19Å; S248-R250 WeakPolarHBondContact OG-CG 3.31Å; S248-E302 WeakPolarHBondContact CB-O 3.47Å; S248-E302 PolarHBondContact OG-O 3.33Å; S248-N303 PolarHBondContact N-O 3.19Å; S248-N303 PolarHBondContact OG-O 2.78Å
249	P	95.1	Very high	96	Very high	25 Å²	25	45.3 Å²	45.3	16%	0.162	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	24	173.9	36.1	-38.3	0	0	0	113.4	L251 Q252 Y253 L424 L428	P249-L251 VanDerWaalsContact C-N 3.29Å; P249-L251 PolarHBondContact O-N 3.24Å; P249-Q252 VanDerWaalsContact C-OE1 3.26Å; P249-Q252 PolarHBondContact O-N 2.96Å; P249-Q252 PolarHBondContact O-OE1 3.36Å; P249-Y253 PolarHBondContact O-N 3.49Å; P249-L424 HydrophobicContact CG-CD1 3.48Å; P249-L424 VanDerWaalsContact CG-CD1 3.48Å; P249-L424 HydrophobicContact CG-CG 4.29Å; P249-L428 HydrophobicContact CB-CD1 4.4Å
250	R	96.4	Very high	96	Very high	12 Å²	12	49 Å²	49	5%	0.045	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-36.2	-170.4	69.4	-176.3	-172	178.9	-9.6	114	W239 N243 A246 S248 A254 F301 E302 M328	W239-R250 HydrophobicContact CH2-CB 4.45Å; W239-R250 HydrophobicContact CH2-CG 4.08Å; W239-R250 HydrophobicContact CZ2-CB 4.26Å; W239-R250 HydrophobicContact CZ2-CG 3.96Å; N243-R250 PolarHBondContact O-NH2 3.19Å; A246-R250 HydrophobicContact CB-CG 4.16Å; A246-R250 VanDerWaalsContact CB-NE 3.25Å; S248-R250 PolarHBondContact O-N 3.25Å; S248-R250 WeakPolarHBondContact OG-CD 3.19Å; S248-R250 WeakPolarHBondContact OG-CG 3.31Å; R250-A254 VanDerWaalsContact O-CB 3.25Å; R250-A254 WeakPolarHBondContact O-CB 3.05Å; R250-A254 PolarHBondContact O-N 3.26Å; R250-F301 HydrophobicContact CB-CB 3.82Å; R250-F301 HydrophobicContact CB-CD2 3.96Å; R250-F301 HydrophobicContact CB-CG 4.33Å; R250-F301 PolarHBondContact NH1-O 2.72Å; R250-F301 VanDerWaalsContact NH1-O 3.17Å; R250-E302 VanDerWaalsContact CD-O 3.25Å; R250-E302 WeakPolarHBondContact CD-O 3.36Å; R250-M328 HydrophobicContact CB-SD 3.95Å
251	L	96.7	Very high	96.1	Very high	38 Å²	38	47.5 Å²	47.5	20%	0.199	26%	0.256	C	S	.	.	H	α-helix	trans	-73.2	-42.3	-179.6	-178.7	60.7	0	0	0	110.4	W239 C244 P249 A254 N255 C269	W239-L251 HydrophobicContact CH2-CB 4.44Å; W239-L251 HydrophobicContact CH2-CD1 4.22Å; W239-L251 HydrophobicContact CZ3-CD1 3.98Å; C244-L251 HydrophobicContact CB-CD2 4.18Å; C244-L251 WeakPolarHBondContact O-CD2 3.37Å; P249-L251 VanDerWaalsContact C-N 3.29Å; P249-L251 PolarHBondContact O-N 3.24Å; L251-A254 PolarHBondContact O-N 3.47Å; L251-N255 WeakPolarHBondContact O-CB 3.22Å; L251-N255 PolarHBondContact O-N 3.5Å; L251-N255 PolarHBondContact O-ND2 3.41Å; L251-C269 HydrophobicContact CD1-CB 4.39Å
252	Q	96.6	Very high	96.3	Very high	92 Å²	92	50 Å²	50	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-61.9	-46.1	175.1	-62.2	85.5	-24.8	0	0	110.7	P249 N255 E256 W426 L428	P249-Q252 VanDerWaalsContact C-OE1 3.26Å; P249-Q252 PolarHBondContact O-N 2.96Å; P249-Q252 PolarHBondContact O-OE1 3.36Å; Q252-N255 PolarHBondContact O-N 3.41Å; Q252-E256 WeakPolarHBondContact O-CB 3.45Å; Q252-E256 PolarHBondContact O-N 3.17Å; Q252-W426 HydrophobicContact CB-CH2 4.26Å; Q252-W426 HydrophobicContact CB-CZ3 4.45Å; Q252-L428 HydrophobicContact CB-CD2 3.51Å; Q252-L428 HydrophobicContact CG-CD2 3.93Å
253	Y	98.1	Very high	96.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-45.7	177.5	-162.5	-69.6	0	0	0	111.5	P249 N255 E256 L257 F301 M328 V347 P353 L356 L424 W426	P249-Y253 PolarHBondContact O-N 3.49Å; Y253-N255 PolarHBondContact O-N 3.28Å; Y253-E256 PolarHBondContact O-N 3.04Å; Y253-L257 VanDerWaalsContact O-CB 3.28Å; Y253-L257 WeakPolarHBondContact O-CB 3.03Å; Y253-L257 PolarHBondContact O-N 3.49Å; Y253-F301 AromaticContact CD1-CE2 3.9Å; Y253-F301 HydrophobicContact CD1-CE2 3.9Å; Y253-F301 AromaticContact CD1-CZ 3.86Å; Y253-F301 HydrophobicContact CD1-CZ 3.86Å; Y253-F301 HydrophobicContact CE1-CZ 4.26Å; Y253-F301 HydrophobicContact CG-CE2 4.4Å; Y253-M328 VanDerWaalsContact CB-CE 3.49Å; Y253-M328 HydrophobicContact CD1-CE 3.99Å; Y253-M328 HydrophobicContact CD2-CE 3.4Å; Y253-M328 VanDerWaalsContact CD2-CE 3.4Å; Y253-M328 HydrophobicContact CE2-CE 4.14Å; Y253-M328 HydrophobicContact CG-CE 3.34Å; Y253-V347 HydrophobicContact CD1-CG1 4.38Å; Y253-V347 HydrophobicContact CE1-CB 4.29Å; Y253-V347 HydrophobicContact CE1-CG1 3.75Å; Y253-V347 HydrophobicContact CE2-CB 3.97Å; Y253-V347 HydrophobicContact CE2-CG1 4.24Å; Y253-P353 HydrophobicContact CD1-CB 4.45Å; Y253-P353 HydrophobicContact CD1-CG 4.13Å; Y253-P353 HydrophobicContact CD2-CG 4.18Å; Y253-P353 HydrophobicContact CE1-CB 4Å; Y253-P353 HydrophobicContact CE1-CG 3.85Å; Y253-P353 HydrophobicContact CE2-CG 3.92Å; Y253-P353 HydrophobicContact CG-CG 4.27Å; Y253-L356 HydrophobicContact CE1-CD2 3.94Å; Y253-L424 HydrophobicContact CD2-CD1 4.18Å; Y253-W426 HydrophobicContact CD2-CB 4.44Å; Y253-W426 AromaticContact CD2-CD2 3.8Å; Y253-W426 HydrophobicContact CD2-CD2 3.8Å; Y253-W426 AromaticContact CD2-CE3 3.29Å; Y253-W426 HydrophobicContact CD2-CE3 3.29Å; Y253-W426 HydrophobicContact CD2-CG 4.32Å; Y253-W426 AromaticContact CD2-CZ3 3.69Å; Y253-W426 HydrophobicContact CD2-CZ3 3.69Å; Y253-W426 HydrophobicContact CE2-CB 3.95Å; Y253-W426 HydrophobicContact CE2-CD2 4.02Å; Y253-W426 AromaticContact CE2-CE3 3.96Å; Y253-W426 HydrophobicContact CE2-CE3 3.96Å; Y253-W426 HydrophobicContact CE2-CG 4.07Å; Y253-W426 HydrophobicContact CG-CE3 4.14Å; Y253-W426 HydrophobicContact CG-CZ3 4.09Å
254	A	98.4	Very high	96.9	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-39.2	178.2	0	0	0	0	0	112.5	W239 R250 L251 L257 S258 L299 F301	W239-A254 HydrophobicContact CE3-CB 3.6Å; W239-A254 HydrophobicContact CH2-CB 3.9Å; W239-A254 HydrophobicContact CZ3-CB 3.25Å; R250-A254 VanDerWaalsContact O-CB 3.25Å; R250-A254 WeakPolarHBondContact O-CB 3.05Å; R250-A254 PolarHBondContact O-N 3.26Å; L251-A254 PolarHBondContact O-N 3.47Å; A254-L257 PolarHBondContact O-N 3.37Å; A254-S258 WeakPolarHBondContact O-CB 3.36Å; A254-S258 PolarHBondContact O-N 3.44Å; A254-L299 HydrophobicContact CB-CD1 3.92Å; A254-F301 HydrophobicContact CB-CE2 4.32Å
255	N	97.5	Very high	97.1	Very high	79 Å²	79	45.5 Å²	45.5	42%	0.422	24%	0.243	S	C	.	.	H	α-helix	trans	-64.4	-44.9	175	-72.9	-14.9	0	0	0	111.3	L251 Q252 Y253 S258	L251-N255 WeakPolarHBondContact O-CB 3.22Å; L251-N255 PolarHBondContact O-N 3.5Å; L251-N255 PolarHBondContact O-ND2 3.41Å; Q252-N255 PolarHBondContact O-N 3.41Å; Y253-N255 PolarHBondContact O-N 3.28Å; N255-S258 WeakPolarHBondContact O-CB 3.12Å; N255-S258 PolarHBondContact O-N 3.33Å; N255-S258 PolarHBondContact O-OG 2.73Å
256	E	98.1	Very high	97.3	Very high	47 Å²	47	43 Å²	43	22%	0.22	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-42.7	177.1	-174.7	57.3	-156.7	0	0	111	Q252 Y253 S258 R259 Y260 P353 W426	Q252-E256 WeakPolarHBondContact O-CB 3.45Å; Q252-E256 PolarHBondContact O-N 3.17Å; Y253-E256 PolarHBondContact O-N 3.04Å; E256-S258 VanDerWaalsContact C-N 3.28Å; E256-S258 PolarHBondContact O-N 3.14Å; E256-R259 WeakPolarHBondContact O-CB 3.37Å; E256-R259 PolarHBondContact O-N 3.42Å; E256-R259 IonicContact OE1-NH1 3.05Å; E256-R259 PolarHBondContact OE1-NH1 2.68Å; E256-R259 WeakPolarHBondContact OE2-CD 3.25Å; E256-R259 IonicContact OE2-CZ 3.79Å; E256-R259 IonicContact OE2-NE 3.26Å; E256-R259 IonicContact OE2-NH1 2.84Å; E256-R259 PolarHBondContact OE2-NH1 2.94Å; E256-Y260 HydrophobicContact CG-CE2 4.13Å; E256-Y260 WeakPolarHBondContact O-CD2 3.38Å; E256-Y260 WeakPolarHBondContact O-CE2 3.22Å; E256-Y260 VanDerWaalsContact OE1-CE2 3.23Å; E256-Y260 WeakPolarHBondContact OE1-CE2 3.49Å; E256-Y260 PolarHBondContact OE1-OH 3.2Å; E256-P353 HydrophobicContact CB-CB 4.33Å; E256-P353 HydrophobicContact CB-CG 4.1Å; E256-P353 HydrophobicContact CG-CB 4.03Å; E256-P353 HydrophobicContact CG-CG 3.82Å; E256-W426 HydrophobicContact CB-CH2 4.33Å; E256-W426 HydrophobicContact CB-CZ2 4.1Å; E256-W426 HydrophobicContact CG-CZ2 4.07Å
257	L	98.7	Very high	97.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.4	-39.3	174.3	-176.8	63.4	0	0	0	112.3	Y253 A254 R259 Y260 I261 V263 L299 P353 L356 A357	Y253-L257 VanDerWaalsContact O-CB 3.28Å; Y253-L257 WeakPolarHBondContact O-CB 3.03Å; Y253-L257 PolarHBondContact O-N 3.49Å; A254-L257 PolarHBondContact O-N 3.37Å; L257-R259 PolarHBondContact O-N 3.48Å; L257-R259 VanDerWaalsContact O-N 3.11Å; L257-Y260 PolarHBondContact O-N 3.38Å; L257-I261 HydrophobicContact CD1-CG2 3.8Å; L257-I261 HydrophobicContact CD2-CG2 4.49Å; L257-I261 HydrophobicContact CG-CG2 3.8Å; L257-I261 PolarHBondContact O-N 3.21Å; L257-I261 VanDerWaalsContact O-N 3.16Å; L257-V263 HydrophobicContact CD2-CG2 4.34Å; L257-V263 HydrophobicContact CG-CG2 4.22Å; L257-L299 HydrophobicContact CD2-CD2 4Å; L257-P353 HydrophobicContact CB-CB 4.12Å; L257-P353 HydrophobicContact CD1-CB 4.33Å; L257-P353 VanDerWaalsContact CD1-O 3.26Å; L257-P353 WeakPolarHBondContact CD1-O 3.03Å; L257-L356 HydrophobicContact CD1-CD2 4.19Å; L257-L356 HydrophobicContact CD1-CG 4.3Å; L257-L356 HydrophobicContact CD2-CD2 4.35Å; L257-A357 HydrophobicContact CD1-CB 3.93Å
258	S	98.4	Very high	97.2	Very high	56 Å²	56	45.4 Å²	45.4	39%	0.392	23%	0.228	S	C	.	.	H	α-helix	trans	-62.8	-17.4	-178.3	79.8	0	0	0	0	114.4	A254 N255 E256 Y260 I261	A254-S258 WeakPolarHBondContact O-CB 3.36Å; A254-S258 PolarHBondContact O-N 3.44Å; N255-S258 WeakPolarHBondContact O-CB 3.12Å; N255-S258 PolarHBondContact O-N 3.33Å; N255-S258 PolarHBondContact O-OG 2.73Å; E256-S258 VanDerWaalsContact C-N 3.28Å; E256-S258 PolarHBondContact O-N 3.14Å; S258-Y260 VanDerWaalsContact C-N 3.26Å; S258-Y260 PolarHBondContact O-N 3.29Å; S258-I261 WeakPolarHBondContact CA-O 3.24Å
259	R	98.6	Very high	97.2	Very high	171 Å²	171	46.3 Å²	46.3	65%	0.645	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.7	174.9	-58.6	173.4	70.4	-173.4	-0	112.2	E256 L257	E256-R259 WeakPolarHBondContact O-CB 3.37Å; E256-R259 PolarHBondContact O-N 3.42Å; E256-R259 IonicContact OE1-NH1 3.05Å; E256-R259 PolarHBondContact OE1-NH1 2.68Å; E256-R259 WeakPolarHBondContact OE2-CD 3.25Å; E256-R259 IonicContact OE2-CZ 3.79Å; E256-R259 IonicContact OE2-NE 3.26Å; E256-R259 IonicContact OE2-NH1 2.84Å; E256-R259 PolarHBondContact OE2-NH1 2.94Å; L257-R259 PolarHBondContact O-N 3.48Å; L257-R259 VanDerWaalsContact O-N 3.11Å
260	Y	98.7	Very high	97.2	Very high	78 Å²	78	46.5 Å²	46.5	31%	0.306	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-24.8	-171.7	-51.2	-72.4	0	0	0	112.9	E256 L257 S258 A354 A357 K361	E256-Y260 HydrophobicContact CG-CE2 4.13Å; E256-Y260 WeakPolarHBondContact O-CD2 3.38Å; E256-Y260 WeakPolarHBondContact O-CE2 3.22Å; E256-Y260 VanDerWaalsContact OE1-CE2 3.23Å; E256-Y260 WeakPolarHBondContact OE1-CE2 3.49Å; E256-Y260 PolarHBondContact OE1-OH 3.2Å; L257-Y260 PolarHBondContact O-N 3.38Å; S258-Y260 VanDerWaalsContact C-N 3.26Å; S258-Y260 PolarHBondContact O-N 3.29Å; Y260-A354 HydrophobicContact CD1-CB 3.96Å; Y260-A354 HydrophobicContact CD2-CB 3.88Å; Y260-A354 HydrophobicContact CE1-CB 3.86Å; Y260-A354 HydrophobicContact CE2-CB 3.79Å; Y260-A354 HydrophobicContact CG-CB 3.98Å; Y260-A357 HydrophobicContact CG-CB 4.42Å; Y260-K361 WeakPolarHBondContact O-CE 3.49Å; Y260-K361 PolarHBondContact O-NZ 3.32Å
261	I	98.8	Very high	97.1	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.036	28%	0.278	C	S	.	.	S	Bend	trans	-143.6	153.3	178.9	-165.7	168.8	0	0	0	110.5	Q236 V237 L257 S258 V263 A357 L360 K361	Q236-I261 HydrophobicContact CB-CD1 4.11Å; Q236-I261 HydrophobicContact CB-CG1 4.01Å; Q236-I261 VanDerWaalsContact CD-CG1 3.5Å; Q236-I261 HydrophobicContact CG-CD1 4.44Å; Q236-I261 HydrophobicContact CG-CG1 4.31Å; V237-I261 HydrophobicContact CG2-CD1 4.17Å; V237-I261 HydrophobicContact CG2-CG1 4.42Å; V237-I261 HydrophobicContact CG2-CG2 4.13Å; L257-I261 HydrophobicContact CD1-CG2 3.8Å; L257-I261 HydrophobicContact CD2-CG2 4.49Å; L257-I261 HydrophobicContact CG-CG2 3.8Å; L257-I261 PolarHBondContact O-N 3.21Å; L257-I261 VanDerWaalsContact O-N 3.16Å; S258-I261 WeakPolarHBondContact CA-O 3.24Å; I261-V263 HydrophobicContact CG2-CG2 4.14Å; I261-V263 PolarHBondContact O-N 3.5Å; I261-A357 HydrophobicContact CB-CB 4.02Å; I261-A357 HydrophobicContact CG2-CB 4.06Å; I261-L360 HydrophobicContact CD1-CB 3.47Å; I261-L360 VanDerWaalsContact CD1-CB 3.47Å; I261-L360 HydrophobicContact CD1-CD1 4.1Å; I261-L360 HydrophobicContact CD1-CG 4.46Å; I261-K361 HydrophobicContact CD1-CG 4.35Å
262	S	98.6	Very high	97	Very high	62 Å²	62	53.8 Å²	53.8	43%	0.434	28%	0.282	S	S	.	.			trans	-68	116.7	179.7	-175.8	0	0	0	0	111	Q236 V237	Q236-S262 VanDerWaalsContact OE1-N 3.07Å; V237-S262 WeakPolarHBondContact CB-O 3.27Å; V237-S262 PolarHBondContact N-O 3.17Å; V237-S262 VanDerWaalsContact N-O 3.13Å
263	V	98.8	Very high	96.6	Very high	19 Å²	19	56.3 Å²	56.3	12%	0.115	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.3	177.5	-176	0	0	0	0	110.1	V237 L257 I261 I265 L299	V237-V263 HydrophobicContact CB-CB 4.44Å; V237-V263 HydrophobicContact CB-CG1 4.49Å; V237-V263 HydrophobicContact CB-CG2 4.04Å; V237-V263 HydrophobicContact CG1-CG1 4.18Å; V237-V263 HydrophobicContact CG1-CG2 4.23Å; V237-V263 HydrophobicContact CG2-CG2 4.4Å; L257-V263 HydrophobicContact CD2-CG2 4.34Å; L257-V263 HydrophobicContact CG-CG2 4.22Å; I261-V263 HydrophobicContact CG2-CG2 4.14Å; I261-V263 PolarHBondContact O-N 3.5Å; V263-I265 HydrophobicContact CG1-CG1 3.89Å; V263-L299 HydrophobicContact CG1-CD1 4.06Å
264	D	98.6	Very high	96.1	Very high	17 Å²	17	57.8 Å²	57.8	9%	0.091	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	103.2	177.3	-80.9	0.8	0	0	0	109.9	K235 V237 A238 W239 Y266 K272 Y295	K235-D264 IonicContact NZ-OD2 2.79Å; K235-D264 PolarHBondContact NZ-OD2 2.9Å; V237-D264 PolarHBondContact O-N 2.81Å; A238-D264 WeakPolarHBondContact CA-O 3.28Å; W239-D264 PolarHBondContact N-O 3.44Å; D264-Y266 HydrophobicContact CB-CE2 3.91Å; D264-Y266 WeakPolarHBondContact O-CD2 3.33Å; D264-K272 HydrophobicContact CB-CD 3.76Å; D264-K272 WeakPolarHBondContact OD1-CE 3.35Å; D264-K272 IonicContact OD1-NZ 3.95Å; D264-K272 PolarHBondContact OD1-NZ 2.79Å; D264-K272 WeakPolarHBondContact OD2-CE 3.49Å; D264-K272 IonicContact OD2-NZ 3.73Å; D264-K272 PolarHBondContact OD2-NZ 3.01Å; D264-Y295 HydrophobicContact CB-CE1 3.65Å; D264-Y295 WeakPolarHBondContact CB-OH 3.47Å; D264-Y295 PolarHBondContact OD2-OH 3.24Å
265	I	98.1	Very high	95.1	Very high	22 Å²	22	60.1 Å²	60.1	11%	0.113	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	115.7	-177.7	-49.7	179.9	0	0	0	110	W239 V241 V263 K272	W239-I265 HydrophobicContact CE3-CD1 4.1Å; W239-I265 HydrophobicContact CE3-CG1 4.12Å; W239-I265 HydrophobicContact CE3-CG2 3.94Å; W239-I265 HydrophobicContact CZ3-CD1 4.38Å; V241-I265 HydrophobicContact CG1-CG2 3.52Å; V263-I265 HydrophobicContact CG1-CG1 3.89Å; I265-K272 WeakPolarHBondContact O-CB 3.34Å; I265-K272 PolarHBondContact O-N 3.21Å; I265-K272 VanDerWaalsContact O-N 3.16Å
266	Y	95.7	Very high	93.8	Very high	15 Å²	15	65 Å²	65	6%	0.059	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.3	176.4	-62.3	-105.6	0	0	0	111.8	W239 F240 V241 D264 K272 C274 L290 Y295	W239-Y266 PolarHBondContact O-N 3.09Å; F240-Y266 AromaticContact CD1-CD2 3.93Å; F240-Y266 HydrophobicContact CD1-CD2 3.93Å; F240-Y266 AromaticContact CD1-CG 3.94Å; F240-Y266 HydrophobicContact CD1-CG 3.94Å; F240-Y266 HydrophobicContact CE1-CD1 4.39Å; F240-Y266 AromaticContact CE1-CD2 3.71Å; F240-Y266 HydrophobicContact CE1-CD2 3.71Å; F240-Y266 HydrophobicContact CE1-CE2 4.32Å; F240-Y266 AromaticContact CE1-CG 3.77Å; F240-Y266 HydrophobicContact CE1-CG 3.77Å; V241-Y266 PolarHBondContact N-O 2.86Å; D264-Y266 HydrophobicContact CB-CE2 3.91Å; D264-Y266 WeakPolarHBondContact O-CD2 3.33Å; Y266-K272 VanDerWaalsContact CA-O 3.28Å; Y266-K272 WeakPolarHBondContact CA-O 2.89Å; Y266-K272 HydrophobicContact CD1-CB 3.47Å; Y266-K272 VanDerWaalsContact CD1-CB 3.47Å; Y266-K272 HydrophobicContact CD2-CB 4.19Å; Y266-K272 HydrophobicContact CD2-CD 4.46Å; Y266-K272 HydrophobicContact CE1-CB 3.64Å; Y266-K272 HydrophobicContact CE1-CD 4.08Å; Y266-K272 HydrophobicContact CE1-CG 4.48Å; Y266-K272 HydrophobicContact CE2-CB 4.32Å; Y266-K272 HydrophobicContact CE2-CD 3.9Å; Y266-K272 HydrophobicContact CG-CB 3.76Å; Y266-C274 HydrophobicContact CD1-CB 3.65Å; Y266-C274 HydrophobicContact CE1-CB 4.48Å; Y266-C274 HydrophobicContact CG-CB 4.22Å; Y266-L290 HydrophobicContact CE1-CD2 4.37Å; Y266-L290 WeakPolarHBondContact OH-CD2 3.46Å; Y266-Y295 WeakPolarHBondContact CE2-OH 3.22Å; Y266-Y295 PolarHBondContact OH-OH 2.96Å
267	G	92.6	Very high	92	Very high	29 Å²	29	66.6 Å²	66.6	30%	0.299	35%	0.345	S	S	.	.	S	Bend	trans	101.8	-164.7	178.6	0	0	0	0	0	112.5	V241 C269 G270 K272	V241-G267 CarbonylContact O-C 3.53Å; V241-G267 WeakPolarHBondContact O-CA 3.47Å; G267-C269 PolarHBondContact O-N 3.37Å; G267-G270 PolarHBondContact O-N 3.33Å; G267-G270 VanDerWaalsContact O-N 3.11Å; G267-K272 PolarHBondContact N-O 3.4Å
268	K	93.5	Very high	89.8	Confident	179 Å²	179	73.9 Å²	73.9	78%	0.778	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.3	-167.1	-61.9	-172.3	176.3	-174.9	0	114.9	V241	V241-K268 PolarHBondContact O-N 3.07Å
269	C	95.8	Very high	87.4	Confident	25 Å²	25	75.6 Å²	75.6	17%	0.169	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	2.1	-178.3	-42	0	0	0	0	113.3	V241 C244 L251 G267	V241-C269 HydrophobicContact CG1-CB 3.86Å; V241-C269 HydrophobicContact CG2-CB 4.42Å; C244-C269 WeakPolarHBondContact CA-SG 3.4Å; C244-C269 HydrophobicContact CB-CB 3.9Å; C244-C269 WeakPolarHBondContact CB-SG 3.37Å; C244-C269 PolarHBondContact N-SG 3.1Å; C244-C269 WeakPolarHBondContact SG-CA 3.4Å; C244-C269 WeakPolarHBondContact SG-CB 3.25Å; C244-C269 CovalentContact SG-SG 2.04Å; C244-C269 PolarHBondContact SG-SG 3.37Å; L251-C269 HydrophobicContact CD1-CB 4.39Å; G267-C269 PolarHBondContact O-N 3.37Å
270	G	94	Very high	85.4	Confident	28 Å²	28	75.4 Å²	75.4	29%	0.289	40%	0.403	S	S	.	.	S	Bend	trans	-133.3	-174.7	179.2	0	0	0	0	0	111.7	G267	G267-G270 PolarHBondContact O-N 3.33Å; G267-G270 VanDerWaalsContact O-N 3.11Å
271	T	94.2	Very high	83.5	Confident	137 Å²	137	74.6 Å²	74.6	84%	0.84	40%	0.404	S	S	*	.	S	Bend	trans	-100.2	-12.6	-178.9	55.3	0	0	0	0	113
272	K	94.8	Very high	81.9	Confident	66 Å²	66	80.2 Å²	80.2	29%	0.287	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-89.4	146.2	179.5	-63	-170.3	167	76.2	0	111.3	D264 I265 Y266 G267	D264-K272 HydrophobicContact CB-CD 3.76Å; D264-K272 WeakPolarHBondContact OD1-CE 3.35Å; D264-K272 IonicContact OD1-NZ 3.95Å; D264-K272 PolarHBondContact OD1-NZ 2.79Å; D264-K272 WeakPolarHBondContact OD2-CE 3.49Å; D264-K272 IonicContact OD2-NZ 3.73Å; D264-K272 PolarHBondContact OD2-NZ 3.01Å; I265-K272 WeakPolarHBondContact O-CB 3.34Å; I265-K272 PolarHBondContact O-N 3.21Å; I265-K272 VanDerWaalsContact O-N 3.16Å; Y266-K272 VanDerWaalsContact CA-O 3.28Å; Y266-K272 WeakPolarHBondContact CA-O 2.89Å; Y266-K272 HydrophobicContact CD1-CB 3.47Å; Y266-K272 VanDerWaalsContact CD1-CB 3.47Å; Y266-K272 HydrophobicContact CD2-CB 4.19Å; Y266-K272 HydrophobicContact CD2-CD 4.46Å; Y266-K272 HydrophobicContact CE1-CB 3.64Å; Y266-K272 HydrophobicContact CE1-CD 4.08Å; Y266-K272 HydrophobicContact CE1-CG 4.48Å; Y266-K272 HydrophobicContact CE2-CB 4.32Å; Y266-K272 HydrophobicContact CE2-CD 3.9Å; Y266-K272 HydrophobicContact CG-CB 3.76Å; G267-K272 PolarHBondContact N-O 3.4Å
273	I	89.7	Confident	80.4	Confident	146 Å²	146	84.5 Å²	84.5	75%	0.749	46%	0.458	S	S	*	.			trans	-109.2	127	-176	-57.1	175.8	0	0	0	108.8	P275	I273-P275 HydrophobicContact CG2-CG 4.3Å
274	C	86.6	Confident	78.6	Confident	30 Å²	30	86.1 Å²	86.1	20%	0.203	47%	0.466	C	S	.	.			trans	-138.7	102.1	166.4	158	0	0	0	0	105.7	F240 Y266 C287	F240-C274 HydrophobicContact CE1-CB 4.5Å; Y266-C274 HydrophobicContact CD1-CB 3.65Å; Y266-C274 HydrophobicContact CE1-CB 4.48Å; Y266-C274 HydrophobicContact CG-CB 4.22Å; C274-C287 WeakPolarHBondContact CA-SG 3.39Å; C274-C287 HydrophobicContact CB-CB 4.02Å; C274-C287 WeakPolarHBondContact CB-SG 3.07Å; C274-C287 WeakPolarHBondContact SG-CB 3.26Å; C274-C287 CovalentContact SG-SG 2Å; C274-C287 PolarHBondContact SG-SG 3Å
275	P	77.5	Confident	77.2	Confident	50 Å²	50	88.9 Å²	88.9	33%	0.325	48%	0.484	S	S	.	.			trans	-61.1	138.7	176.3	-21.1	34.6	0	0	0	109.3	I273 N277 L284	I273-P275 HydrophobicContact CG2-CG 4.3Å; P275-N277 PolarHBondContact O-N 2.03Å; P275-L284 HydrophobicContact CB-CD2 4.29Å; P275-L284 HydrophobicContact CG-CD2 4.22Å
276	R	69.2	Low	76.6	Confident	180 Å²	180	91.2 Å²	91.2	68%	0.679	50%	0.497	S	S	*	.			trans	-64.9	127.8	165.1	-72.5	-176.9	178.1	147.6	4.1	106.4	S242 L278	S242-R276 PolarHBondContact OG-NH2 3.39Å; R276-L278 HydrophobicContact CB-CD2 4.45Å; R276-L278 HydrophobicContact CB-CG 4.02Å; R276-L278 PolarHBondContact O-N 3.33Å
277	N	60.3	Low	76.4	Confident	81 Å²	81	91 Å²	91	43%	0.433	50%	0.497	S	S	.	.			trans	-64.8	71.7	169.7	-65	-12.1	0	0	0	108.8	P275	P275-N277 PolarHBondContact O-N 2.03Å
278	L	53.9	Low	76.3	Confident	154 Å²	154	92.1 Å²	92.1	81%	0.806	49%	0.494	S	S	*	.			trans	-78.4	-14.2	169.9	-66	174.6	0	0	0	110.3	R276	R276-L278 HydrophobicContact CB-CD2 4.45Å; R276-L278 HydrophobicContact CB-CG 4.02Å; R276-L278 PolarHBondContact O-N 3.33Å
279	V	48.5	Very low	76.3	Confident	92 Å²	92	88 Å²	88	56%	0.558	48%	0.477	S	S	*	.	S	Bend	trans	-124.6	133.8	177	-170.9	0	0	0	0	106.2	D281	V279-D281 HydrophobicContact CB-CB 4.24Å; V279-D281 HydrophobicContact CG1-CB 3.98Å; V279-D281 PolarHBondContact O-N 3.14Å
280	N	54.9	Low	76.1	Confident	167 Å²	167	89.5 Å²	89.5	89%	0.893	48%	0.482	S	S	*	.			trans	-70.3	55.6	165.7	-71.1	-26.8	0	0	0	109.2	P282	N280-P282 VanDerWaalsContact O-CD 3.26Å; N280-P282 WeakPolarHBondContact O-CD 3.35Å
281	D	59.6	Low	76.2	Confident	61 Å²	61	88.1 Å²	88.1	33%	0.326	47%	0.469	S	S	.	.			trans	-86.5	108.7	175.7	-177.5	-5.8	0	0	0	106.9	V279 L283 L284	V279-D281 HydrophobicContact CB-CB 4.24Å; V279-D281 HydrophobicContact CG1-CB 3.98Å; V279-D281 PolarHBondContact O-N 3.14Å; D281-L283 PolarHBondContact O-N 2.9Å; D281-L283 VanDerWaalsContact O-N 3.07Å; D281-L283 WeakPolarHBondContact OD1-CB 3.4Å; D281-L283 WeakPolarHBondContact OD1-CG 3.4Å; D281-L283 PolarHBondContact OD1-N 2.91Å; D281-L284 HydrophobicContact CB-CB 4.41Å; D281-L284 HydrophobicContact CB-CD1 3.93Å; D281-L284 HydrophobicContact CB-CG 3.86Å; D281-L284 WeakPolarHBondContact O-CB 3.24Å; D281-L284 PolarHBondContact O-N 3.45Å
282	P	65.5	Low	76.3	Confident	125 Å²	125	85.8 Å²	85.8	81%	0.812	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.1	178.8	27.5	-34.5	0	0	0	112.8	N280	N280-P282 VanDerWaalsContact O-CD 3.26Å; N280-P282 WeakPolarHBondContact O-CD 3.35Å
283	L	66	Low	76.3	Confident	152 Å²	152	87.3 Å²	87.3	80%	0.796	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-17.7	173.6	-54.8	176.7	0	0	0	112.8	D281	D281-L283 PolarHBondContact O-N 2.9Å; D281-L283 VanDerWaalsContact O-N 3.07Å; D281-L283 WeakPolarHBondContact OD1-CB 3.4Å; D281-L283 WeakPolarHBondContact OD1-CG 3.4Å; D281-L283 PolarHBondContact OD1-N 2.91Å
284	L	62.5	Low	76.7	Confident	52 Å²	52	82.9 Å²	82.9	27%	0.272	43%	0.43	S	S	.	.	S	Bend	trans	-75	136.4	176.7	-72.5	177.7	0	0	0	110.5	P275 D281 D286	P275-L284 HydrophobicContact CB-CD2 4.29Å; P275-L284 HydrophobicContact CG-CD2 4.22Å; D281-L284 HydrophobicContact CB-CB 4.41Å; D281-L284 HydrophobicContact CB-CD1 3.93Å; D281-L284 HydrophobicContact CB-CG 3.86Å; D281-L284 WeakPolarHBondContact O-CB 3.24Å; D281-L284 PolarHBondContact O-N 3.45Å; L284-D286 PolarHBondContact O-N 3.11Å
285	P	68.2	Low	77.3	Confident	75 Å²	75	81.5 Å²	81.5	49%	0.487	42%	0.421	S	S	.	.			trans	-57.8	127.6	176	-23.2	32.4	0	0	0	111.5	C287	P285-C287 VanDerWaalsContact C-N 3.3Å; P285-C287 PolarHBondContact O-N 2.93Å
286	D	85.8	Confident	78.3	Confident	72 Å²	72	79.7 Å²	79.7	39%	0.385	41%	0.408	S	S	.	.			trans	-68.4	92.7	165.6	-179.2	-8	0	0	0	108.7	L284 F288 K289 L290	L284-D286 PolarHBondContact O-N 3.11Å; D286-F288 PolarHBondContact O-N 3.47Å; D286-F288 PolarHBondContact OD1-N 3.07Å; D286-K289 HydrophobicContact CB-CB 3.8Å; D286-K289 WeakPolarHBondContact O-CB 3.36Å; D286-K289 PolarHBondContact O-N 2.81Å; D286-K289 PolarHBondContact OD1-N 3.22Å; D286-K289 WeakPolarHBondContact OD2-CB 3.42Å; D286-L290 PolarHBondContact O-N 3.12Å
287	C	90.8	Very high	79.7	Confident	9 Å²	9	71.1 Å²	71.1	6%	0.061	38%	0.375	C	S	.	.	H	α-helix	trans	-62.8	-30.7	-178.5	-63.5	0	0	0	0	113.4	F240 C274 P285 L290 I291	F240-C287 HydrophobicContact CE2-CB 4.11Å; F240-C287 HydrophobicContact CZ-CB 3.83Å; C274-C287 WeakPolarHBondContact CA-SG 3.39Å; C274-C287 HydrophobicContact CB-CB 4.02Å; C274-C287 WeakPolarHBondContact CB-SG 3.07Å; C274-C287 WeakPolarHBondContact SG-CB 3.26Å; C274-C287 CovalentContact SG-SG 2Å; C274-C287 PolarHBondContact SG-SG 3Å; P285-C287 VanDerWaalsContact C-N 3.3Å; P285-C287 PolarHBondContact O-N 2.93Å; C287-L290 WeakPolarHBondContact O-CB 3.11Å; C287-L290 PolarHBondContact O-N 3.31Å; C287-I291 WeakPolarHBondContact O-CG1 3.28Å; C287-I291 PolarHBondContact O-N 3.12Å
288	F	91.6	Very high	81.5	Confident	54 Å²	54	67.2 Å²	67.2	24%	0.237	36%	0.355	C	S	.	.	H	α-helix	trans	-70.5	-41.3	177.6	-75.8	-53.1	0	0	0	110.5	F240 D286 I291 R292 K316 N317 N321	F240-F288 HydrophobicContact CD2-CE1 4.38Å; F240-F288 HydrophobicContact CE2-CD1 4.22Å; F240-F288 HydrophobicContact CE2-CE1 4.09Å; D286-F288 PolarHBondContact O-N 3.47Å; D286-F288 PolarHBondContact OD1-N 3.07Å; F288-I291 HydrophobicContact CD1-CD1 4.03Å; F288-I291 HydrophobicContact CD1-CG1 4.5Å; F288-I291 VanDerWaalsContact O-CG1 3.29Å; F288-I291 WeakPolarHBondContact O-CG1 3.39Å; F288-I291 PolarHBondContact O-N 3.06Å; F288-R292 WeakPolarHBondContact O-CB 3.4Å; F288-R292 PolarHBondContact O-N 2.68Å; F288-K316 HydrophobicContact CZ-CD 4.45Å; F288-K316 HydrophobicContact CZ-CG 4.34Å; F288-N317 HydrophobicContact CE1-CB 3.97Å; F288-N317 WeakPolarHBondContact CE1-OD1 3.36Å; F288-N317 WeakPolarHBondContact CZ-OD1 3.19Å; F288-N321 WeakPolarHBondContact CD1-ND2 3.46Å
289	K	92.4	Very high	83.7	Confident	93 Å²	93	59.9 Å²	59.9	40%	0.404	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-46.4	167	-175.9	-178.9	-179.7	-175.3	0	112.2	D286 I291 R292 E293	D286-K289 HydrophobicContact CB-CB 3.8Å; D286-K289 WeakPolarHBondContact O-CB 3.36Å; D286-K289 PolarHBondContact O-N 2.81Å; D286-K289 PolarHBondContact OD1-N 3.22Å; D286-K289 WeakPolarHBondContact OD2-CB 3.42Å; K289-I291 VanDerWaalsContact C-N 3.32Å; K289-I291 PolarHBondContact O-N 3.32Å; K289-R292 PolarHBondContact O-N 2.92Å; K289-E293 VanDerWaalsContact CE-CD 3.41Å; K289-E293 WeakPolarHBondContact CE-OE1 2.92Å; K289-E293 WeakPolarHBondContact CE-OE2 3.22Å; K289-E293 HydrophobicContact CG-CG 4.2Å; K289-E293 WeakPolarHBondContact CG-OE1 3.17Å; K289-E293 IonicContact NZ-OE1 2.82Å; K289-E293 WeakPolarHBondContact O-CB 3.28Å; K289-E293 WeakPolarHBondContact O-CG 3.43Å; K289-E293 PolarHBondContact O-N 3.31Å
290	L	93.2	Very high	86.1	Confident	55 Å²	55	55.5 Å²	55.5	29%	0.288	29%	0.29	S	S	.	.	H	α-helix	trans	-55.2	-47.3	177.9	176.3	150.5	0	0	0	111.5	Y266 D286 C287 N294 Y295	Y266-L290 HydrophobicContact CE1-CD2 4.37Å; Y266-L290 WeakPolarHBondContact OH-CD2 3.46Å; D286-L290 PolarHBondContact O-N 3.12Å; C287-L290 WeakPolarHBondContact O-CB 3.11Å; C287-L290 PolarHBondContact O-N 3.31Å; L290-N294 WeakPolarHBondContact O-CB 3.11Å; L290-N294 PolarHBondContact O-N 2.87Å; L290-N294 PolarHBondContact O-ND2 3.34Å; L290-Y295 HydrophobicContact CD2-CE2 3.83Å
291	I	94.8	Very high	88.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.9	-41.6	-179.8	58.7	167.6	0	0	0	112	A238 F240 C287 F288 K289 E293 N294 Y295 Y298 N317 I323	A238-I291 HydrophobicContact CB-CG2 3.82Å; F240-I291 HydrophobicContact CE1-CG2 3.61Å; F240-I291 HydrophobicContact CE2-CD1 3.85Å; F240-I291 HydrophobicContact CE2-CG1 4.43Å; F240-I291 HydrophobicContact CE2-CG2 4.34Å; F240-I291 HydrophobicContact CZ-CB 4.42Å; F240-I291 HydrophobicContact CZ-CD1 3.98Å; F240-I291 HydrophobicContact CZ-CG1 4.19Å; F240-I291 HydrophobicContact CZ-CG2 3.39Å; C287-I291 WeakPolarHBondContact O-CG1 3.28Å; C287-I291 PolarHBondContact O-N 3.12Å; F288-I291 HydrophobicContact CD1-CD1 4.03Å; F288-I291 HydrophobicContact CD1-CG1 4.5Å; F288-I291 VanDerWaalsContact O-CG1 3.29Å; F288-I291 WeakPolarHBondContact O-CG1 3.39Å; F288-I291 PolarHBondContact O-N 3.06Å; K289-I291 VanDerWaalsContact C-N 3.32Å; K289-I291 PolarHBondContact O-N 3.32Å; I291-E293 VanDerWaalsContact C-N 3.3Å; I291-E293 PolarHBondContact O-N 2.74Å; I291-N294 PolarHBondContact O-N 3.08Å; I291-Y295 HydrophobicContact CB-CD2 4.23Å; I291-Y295 HydrophobicContact CG2-CD2 4.08Å; I291-Y295 HydrophobicContact CG2-CE2 4.22Å; I291-Y295 PolarHBondContact O-N 2.83Å; I291-Y298 HydrophobicContact CD1-CD2 3.93Å; I291-Y298 HydrophobicContact CD1-CE2 4.13Å; I291-N317 WeakPolarHBondContact CD1-O 3.31Å; I291-I323 HydrophobicContact CB-CD1 3.55Å; I291-I323 HydrophobicContact CD1-CD1 3.58Å; I291-I323 HydrophobicContact CG1-CD1 3.48Å; I291-I323 VanDerWaalsContact CG1-CD1 3.48Å; I291-I323 WeakPolarHBondContact O-CD1 3.47Å
292	R	95.9	Very high	90	Very high	87 Å²	87	44.7 Å²	44.7	33%	0.328	23%	0.232	S	C	.	.	H	α-helix	trans	-59	-38.3	178.6	170	170.4	49.2	176.1	-8	112.8	K233 F288 K289 N321 D322	K233-R292 PolarHBondContact NZ-O 3.48Å; F288-R292 WeakPolarHBondContact O-CB 3.4Å; F288-R292 PolarHBondContact O-N 2.68Å; K289-R292 PolarHBondContact O-N 2.92Å; R292-N321 WeakPolarHBondContact CA-O 3.47Å; R292-N321 HydrophobicContact CB-CB 4.32Å; R292-N321 WeakPolarHBondContact CB-O 3.48Å; R292-N321 WeakPolarHBondContact CG-O 3.47Å; R292-D322 HydrophobicContact CG-CB 4.45Å
293	E	95.7	Very high	91.5	Very high	99 Å²	99	39.5 Å²	39.5	46%	0.463	20%	0.197	S	C	.	.	H	α-helix	trans	-86.5	-24.5	-176.2	-69	177.6	169.3	0	0	113	K289 I291	K289-E293 VanDerWaalsContact CE-CD 3.41Å; K289-E293 WeakPolarHBondContact CE-OE1 2.92Å; K289-E293 WeakPolarHBondContact CE-OE2 3.22Å; K289-E293 HydrophobicContact CG-CG 4.2Å; K289-E293 WeakPolarHBondContact CG-OE1 3.17Å; K289-E293 IonicContact NZ-OE1 2.82Å; K289-E293 WeakPolarHBondContact O-CB 3.28Å; K289-E293 WeakPolarHBondContact O-CG 3.43Å; K289-E293 PolarHBondContact O-N 3.31Å; I291-E293 VanDerWaalsContact C-N 3.3Å; I291-E293 PolarHBondContact O-N 2.74Å
294	N	97.6	Very high	93	Very high	52 Å²	52	32.2 Å²	32.2	28%	0.278	16%	0.159	S	C	.	.	H	α-helix	trans	-113.1	-28.4	-168.7	-64.2	-86.9	0	0	0	114.5	S234 K235 L290 I291	S234-N294 PolarHBondContact N-O 2.83Å; K235-N294 WeakPolarHBondContact CA-O 3.38Å; K235-N294 VanDerWaalsContact CB-O 3.32Å; K235-N294 WeakPolarHBondContact CB-O 3.03Å; K235-N294 HydrophobicContact CD-CB 4.28Å; K235-N294 HydrophobicContact CG-CB 4.46Å; K235-N294 PolarHBondContact N-O 2.6Å; L290-N294 WeakPolarHBondContact O-CB 3.11Å; L290-N294 PolarHBondContact O-N 2.87Å; L290-N294 PolarHBondContact O-ND2 3.34Å; I291-N294 PolarHBondContact O-N 3.08Å
295	Y	98.7	Very high	94.6	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140.6	-169.6	-66	-97.6	0	0	0	113.1	K233 K235 V237 A238 D264 Y266 L290 I291	K233-Y295 VanDerWaalsContact CD-O 3.25Å; K233-Y295 WeakPolarHBondContact CD-O 3.49Å; K233-Y295 PolarHBondContact NZ-O 2.04Å; K235-Y295 HydrophobicContact CB-CD1 3.45Å; K235-Y295 VanDerWaalsContact CB-CD1 3.45Å; K235-Y295 HydrophobicContact CB-CD2 4.32Å; K235-Y295 HydrophobicContact CB-CE1 3.5Å; K235-Y295 HydrophobicContact CB-CE2 4.43Å; K235-Y295 HydrophobicContact CB-CG 3.92Å; K235-Y295 HydrophobicContact CD-CD1 4.27Å; K235-Y295 HydrophobicContact CD-CD2 4.31Å; K235-Y295 HydrophobicContact CD-CE1 3.57Å; K235-Y295 HydrophobicContact CD-CE2 3.7Å; K235-Y295 WeakPolarHBondContact CD-OH 3.33Å; K235-Y295 HydrophobicContact CG-CE1 4.22Å; K235-Y295 PolarHBondContact NZ-OH 2.82Å; K235-Y295 WeakPolarHBondContact O-CA 3.33Å; V237-Y295 VanDerWaalsContact C-CD1 3.48Å; A238-Y295 HydrophobicContact CB-CD1 3.57Å; A238-Y295 HydrophobicContact CB-CD2 4.03Å; A238-Y295 HydrophobicContact CB-CE1 3.8Å; A238-Y295 HydrophobicContact CB-CE2 4.17Å; A238-Y295 HydrophobicContact CB-CG 3.66Å; D264-Y295 HydrophobicContact CB-CE1 3.65Å; D264-Y295 WeakPolarHBondContact CB-OH 3.47Å; D264-Y295 PolarHBondContact OD2-OH 3.24Å; Y266-Y295 WeakPolarHBondContact CE2-OH 3.22Å; Y266-Y295 PolarHBondContact OH-OH 2.96Å; L290-Y295 HydrophobicContact CD2-CE2 3.83Å; I291-Y295 HydrophobicContact CB-CD2 4.23Å; I291-Y295 HydrophobicContact CG2-CD2 4.08Å; I291-Y295 HydrophobicContact CG2-CE2 4.22Å; I291-Y295 PolarHBondContact O-N 2.83Å
296	K	98.8	Very high	96	Very high	12 Å²	12	27.2 Å²	27.2	5%	0.052	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-35.2	174.2	-69.3	-169.9	-173.7	172.9	0	113.3	K233 K235 Q236 I323 L324 D364 Y370	K233-K296 HydrophobicContact CB-CG 3.78Å; K233-K296 HydrophobicContact CD-CG 4Å; K233-K296 WeakPolarHBondContact O-CE 3.26Å; K235-K296 PolarHBondContact O-N 3.34Å; Q236-K296 PolarHBondContact O-N 2.64Å; K296-I323 WeakPolarHBondContact O-CG2 3.38Å; K296-L324 WeakPolarHBondContact O-CB 3.11Å; K296-L324 PolarHBondContact O-N 3.49Å; K296-L324 VanDerWaalsContact O-N 3.11Å; K296-D364 HydrophobicContact CD-CB 4.48Å; K296-D364 VanDerWaalsContact CD-OD1 3.23Å; K296-D364 WeakPolarHBondContact CD-OD1 3.45Å; K296-D364 VanDerWaalsContact CE-OD1 3.27Å; K296-D364 WeakPolarHBondContact CE-OD1 3.46Å; K296-D364 PolarHBondContact NZ-O 2.85Å; K296-D364 IonicContact NZ-OD1 3.99Å; K296-D364 PolarHBondContact NZ-OD1 3.27Å; K296-Y370 WeakPolarHBondContact CA-OH 3.41Å; K296-Y370 HydrophobicContact CB-CE2 3.73Å; K296-Y370 HydrophobicContact CD-CE2 4.44Å; K296-Y370 HydrophobicContact CG-CE2 4.27Å; K296-Y370 WeakPolarHBondContact O-CE2 3.42Å; K296-Y370 PolarHBondContact O-OH 2.73Å
297	F	98.9	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.8	-174.4	-43.9	-73.3	0	0	0	111.7	Q236 V237 A238 I323 L324 I326 L360 L363 D364 Y370	Q236-F297 WeakPolarHBondContact O-CD2 3.27Å; Q236-F297 PolarHBondContact O-N 3.02Å; V237-F297 WeakPolarHBondContact CA-O 3.37Å; V237-F297 HydrophobicContact CG2-CB 4.13Å; V237-F297 HydrophobicContact CG2-CD2 4.11Å; A238-F297 PolarHBondContact N-O 2.94Å; F297-I323 VanDerWaalsContact C-CG2 3.45Å; F297-L324 WeakPolarHBondContact CA-O 3.26Å; F297-L324 HydrophobicContact CD1-CB 4.08Å; F297-L324 HydrophobicContact CD1-CD2 4.1Å; F297-L324 HydrophobicContact CD1-CG 4.21Å; F297-L324 HydrophobicContact CE1-CD2 4.02Å; F297-I326 HydrophobicContact CB-CD1 3.72Å; F297-I326 HydrophobicContact CB-CG1 4.29Å; F297-I326 HydrophobicContact CG-CD1 4.32Å; F297-L360 HydrophobicContact CD1-CD2 3.71Å; F297-L360 HydrophobicContact CD2-CB 4.44Å; F297-L360 HydrophobicContact CD2-CD2 4.32Å; F297-L360 HydrophobicContact CE1-CD2 3.73Å; F297-L360 HydrophobicContact CE2-CB 4.05Å; F297-L360 HydrophobicContact CE2-CD2 4.35Å; F297-L360 HydrophobicContact CG-CD2 4.03Å; F297-L360 HydrophobicContact CZ-CB 4.19Å; F297-L360 HydrophobicContact CZ-CD2 4.08Å; F297-L360 WeakPolarHBondContact CZ-O 3.43Å; F297-L363 HydrophobicContact CE1-CB 4.1Å; F297-L363 HydrophobicContact CE1-CD1 4.1Å; F297-L363 HydrophobicContact CZ-CB 3.88Å; F297-D364 HydrophobicContact CE2-CB 4.31Å; F297-D364 HydrophobicContact CZ-CB 4.49Å; F297-Y370 HydrophobicContact CD1-CE2 4.22Å; F297-Y370 AromaticContact CE1-CD2 3.94Å; F297-Y370 HydrophobicContact CE1-CD2 3.94Å; F297-Y370 AromaticContact CE1-CE2 3.77Å; F297-Y370 HydrophobicContact CE1-CE2 3.77Å; F297-Y370 HydrophobicContact CZ-CD2 4.32Å; F297-Y370 HydrophobicContact CZ-CE2 4.32Å
298	Y	98.9	Very high	96.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.6	175.9	179.2	-92.5	0	0	0	110.8	A238 F240 I291 S300 N317 A318 L324 P325 I326	A238-Y298 HydrophobicContact CB-CD2 4.28Å; A238-Y298 WeakPolarHBondContact O-CA 3.19Å; F240-Y298 HydrophobicContact CB-CE2 4.27Å; F240-Y298 WeakPolarHBondContact CB-OH 3.44Å; F240-Y298 HydrophobicContact CD1-CE2 4.36Å; F240-Y298 HydrophobicContact CD2-CE2 4.18Å; F240-Y298 HydrophobicContact CG-CE2 4.01Å; I291-Y298 HydrophobicContact CD1-CD2 3.93Å; I291-Y298 HydrophobicContact CD1-CE2 4.13Å; Y298-S300 WeakPolarHBondContact CD1-OG 3.47Å; Y298-S300 PolarHBondContact O-N 3.14Å; Y298-S300 VanDerWaalsContact O-N 3.1Å; Y298-N317 HydrophobicContact CD1-CB 4.25Å; Y298-N317 HydrophobicContact CE1-CB 3.56Å; Y298-N317 HydrophobicContact CE2-CB 4.25Å; Y298-N317 PolarHBondContact OH-ND2 3.27Å; Y298-A318 HydrophobicContact CD1-CB 3.9Å; Y298-A318 HydrophobicContact CG-CB 4.34Å; Y298-L324 PolarHBondContact N-O 2.89Å; Y298-P325 WeakPolarHBondContact O-CA 3.45Å; Y298-I326 PolarHBondContact O-N 3.29Å
299	L	98.9	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	102	175.5	-58.5	-171.9	0	0	0	110.3	V237 A238 W239 A254 L257 V263 F301 I326	V237-L299 HydrophobicContact CG1-CD1 4.18Å; V237-L299 HydrophobicContact CG1-CD2 3.58Å; V237-L299 HydrophobicContact CG1-CG 3.53Å; A238-L299 PolarHBondContact O-N 2.9Å; W239-L299 HydrophobicContact CB-CB 3.9Å; W239-L299 HydrophobicContact CB-CD1 3.97Å; W239-L299 HydrophobicContact CB-CG 4.1Å; W239-L299 HydrophobicContact CD2-CB 4.29Å; W239-L299 HydrophobicContact CD2-CD1 4.04Å; W239-L299 HydrophobicContact CE3-CD1 4.21Å; W239-L299 HydrophobicContact CG-CB 3.67Å; W239-L299 HydrophobicContact CG-CD1 3.97Å; W239-L299 HydrophobicContact CG-CG 4.24Å; A254-L299 HydrophobicContact CB-CD1 3.92Å; L257-L299 HydrophobicContact CD2-CD2 4Å; V263-L299 HydrophobicContact CG1-CD1 4.06Å; L299-F301 HydrophobicContact CB-CD1 4.18Å; L299-F301 HydrophobicContact CB-CD2 4.33Å; L299-F301 HydrophobicContact CB-CE1 4.32Å; L299-F301 HydrophobicContact CB-CE2 4.47Å; L299-F301 HydrophobicContact CB-CG 4.2Å; L299-F301 HydrophobicContact CB-CZ 4.47Å; L299-F301 HydrophobicContact CD1-CD2 4.26Å; L299-F301 HydrophobicContact CD1-CE2 3.9Å; L299-F301 HydrophobicContact CD1-CZ 4.25Å; L299-F301 HydrophobicContact CD2-CE1 3.98Å; L299-F301 HydrophobicContact CD2-CE2 4.27Å; L299-F301 HydrophobicContact CD2-CZ 3.76Å; L299-F301 HydrophobicContact CG-CE2 4.44Å; L299-F301 HydrophobicContact CG-CZ 4.38Å; L299-F301 PolarHBondContact O-N 3Å; L299-F301 VanDerWaalsContact O-N 3.17Å; L299-I326 HydrophobicContact CD2-CB 3.92Å; L299-I326 HydrophobicContact CD2-CD1 3.75Å; L299-I326 HydrophobicContact CD2-CG1 4.43Å; L299-I326 HydrophobicContact CD2-CG2 4.19Å
300	S	98.8	Very high	97.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	50.3	174.4	-57	0	0	0	0	110.9	Y298 K313 P325 I326	Y298-S300 WeakPolarHBondContact CD1-OG 3.47Å; Y298-S300 PolarHBondContact O-N 3.14Å; Y298-S300 VanDerWaalsContact O-N 3.1Å; S300-K313 PolarHBondContact OG-O 2.63Å; S300-K313 VanDerWaalsContact OG-O 3.09Å; S300-P325 WeakPolarHBondContact OG-CB 3.33Å; S300-I326 WeakPolarHBondContact CA-O 3.33Å; S300-I326 PolarHBondContact N-O 2.91Å
301	F	98.7	Very high	97.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.2	-173.8	-67.8	-2.2	0	0	0	112.2	W239 R250 Y253 A254 L299 K313 I326 M328 V347	W239-F301 HydrophobicContact CZ2-CB 4.31Å; W239-F301 HydrophobicContact CZ2-CD2 4.38Å; R250-F301 HydrophobicContact CB-CB 3.82Å; R250-F301 HydrophobicContact CB-CD2 3.96Å; R250-F301 HydrophobicContact CB-CG 4.33Å; R250-F301 PolarHBondContact NH1-O 2.72Å; R250-F301 VanDerWaalsContact NH1-O 3.17Å; Y253-F301 AromaticContact CD1-CE2 3.9Å; Y253-F301 HydrophobicContact CD1-CE2 3.9Å; Y253-F301 AromaticContact CD1-CZ 3.86Å; Y253-F301 HydrophobicContact CD1-CZ 3.86Å; Y253-F301 HydrophobicContact CE1-CZ 4.26Å; Y253-F301 HydrophobicContact CG-CE2 4.4Å; A254-F301 HydrophobicContact CB-CE2 4.32Å; L299-F301 HydrophobicContact CB-CD1 4.18Å; L299-F301 HydrophobicContact CB-CD2 4.33Å; L299-F301 HydrophobicContact CB-CE1 4.32Å; L299-F301 HydrophobicContact CB-CE2 4.47Å; L299-F301 HydrophobicContact CB-CG 4.2Å; L299-F301 HydrophobicContact CB-CZ 4.47Å; L299-F301 HydrophobicContact CD1-CD2 4.26Å; L299-F301 HydrophobicContact CD1-CE2 3.9Å; L299-F301 HydrophobicContact CD1-CZ 4.25Å; L299-F301 HydrophobicContact CD2-CE1 3.98Å; L299-F301 HydrophobicContact CD2-CE2 4.27Å; L299-F301 HydrophobicContact CD2-CZ 3.76Å; L299-F301 HydrophobicContact CG-CE2 4.44Å; L299-F301 HydrophobicContact CG-CZ 4.38Å; L299-F301 PolarHBondContact O-N 3Å; L299-F301 VanDerWaalsContact O-N 3.17Å; F301-K313 VanDerWaalsContact O-CD 3.24Å; F301-K313 WeakPolarHBondContact O-CD 3.08Å; F301-I326 WeakPolarHBondContact CD1-O 3.4Å; F301-I326 HydrophobicContact CE1-CB 4.47Å; F301-I326 HydrophobicContact CE1-CG2 3.9Å; F301-I326 WeakPolarHBondContact CE1-O 3.48Å; F301-I326 HydrophobicContact CZ-CG2 4.38Å; F301-M328 HydrophobicContact CB-CB 4.24Å; F301-M328 HydrophobicContact CD1-CB 3.44Å; F301-M328 VanDerWaalsContact CD1-CB 3.44Å; F301-M328 HydrophobicContact CD2-CE 4.23Å; F301-M328 HydrophobicContact CD2-SD 4.37Å; F301-M328 HydrophobicContact CE1-CB 3.85Å; F301-M328 HydrophobicContact CE1-CE 4.49Å; F301-M328 HydrophobicContact CE2-CE 4.01Å; F301-M328 HydrophobicContact CG-CB 3.87Å; F301-M328 HydrophobicContact CG-SD 4.38Å; F301-M328 HydrophobicContact CZ-CE 4.14Å; F301-V347 HydrophobicContact CE1-CG1 3.7Å; F301-V347 HydrophobicContact CZ-CG1 3.78Å
302	E	98.1	Very high	97.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.092	C	C	.	.			trans	-73.5	153.9	178.5	-60.6	-59.5	170.3	0	0	112.6	S248 R250 S304 Y309 T311 K313 M328	S248-E302 WeakPolarHBondContact CB-O 3.47Å; S248-E302 PolarHBondContact OG-O 3.33Å; R250-E302 VanDerWaalsContact CD-O 3.25Å; R250-E302 WeakPolarHBondContact CD-O 3.36Å; E302-S304 PolarHBondContact O-N 3.02Å; E302-Y309 HydrophobicContact CB-CD1 3.96Å; E302-Y309 HydrophobicContact CB-CE1 4.11Å; E302-Y309 HydrophobicContact CG-CD1 4.2Å; E302-Y309 HydrophobicContact CG-CE1 4.49Å; E302-T311 WeakPolarHBondContact OE1-CB 3.42Å; E302-T311 WeakPolarHBondContact OE1-CG2 3.1Å; E302-T311 PolarHBondContact OE1-N 2.73Å; E302-T311 PolarHBondContact OE1-OG1 3.24Å; E302-T311 VanDerWaalsContact OE2-CG2 3.27Å; E302-T311 WeakPolarHBondContact OE2-CG2 2.98Å; E302-T311 PolarHBondContact OE2-OG1 2.8Å; E302-K313 WeakPolarHBondContact OE2-CD 3.28Å; E302-K313 WeakPolarHBondContact OE2-CE 3.07Å; E302-K313 IonicContact OE2-NZ 2.8Å; E302-K313 PolarHBondContact OE2-NZ 3.12Å; E302-M328 WeakPolarHBondContact CB-O 3.49Å; E302-M328 PolarHBondContact N-O 3.44Å
303	N	97.4	Very high	97.5	Very high	16 Å²	16	17.5 Å²	17.5	9%	0.086	8%	0.08	C	C	.	.	S	Bend	trans	-77.1	-10.2	180	61.7	4.2	0	0	0	113.1	H179 A246 K247 S248 Y309	H179-N303 PolarHBondContact CD2-ND2 3.28Å; H179-N303 VanDerWaalsContact CD2-ND2 3.29Å; H179-N303 PolarHBondContact NE2-ND2 2.96Å; H179-N303 VanDerWaalsContact NE2-ND2 3.14Å; A246-N303 HydrophobicContact CB-CB 3.98Å; K247-N303 PolarHBondContact N-O 3.16Å; K247-N303 VanDerWaalsContact N-O 3.1Å; S248-N303 PolarHBondContact N-O 3.19Å; S248-N303 PolarHBondContact OG-O 2.78Å; N303-Y309 WeakPolarHBondContact OD1-CE1 3.38Å; N303-Y309 PolarHBondContact OD1-OH 2.82Å
304	S	97.4	Very high	97.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	-148.7	142.7	-178.6	-54.4	0	0	0	0	108.7	S176 E302 C306	S176-S304 WeakPolarHBondContact OG-CB 3.3Å; S176-S304 PolarHBondContact OG-OG 3.13Å; E302-S304 PolarHBondContact O-N 3.02Å; S304-C306 WeakPolarHBondContact CB-SG 3.33Å; S304-C306 PolarHBondContact O-N 2.91Å
305	L	96.7	Very high	97.7	Very high	22 Å²	22	10.4 Å²	10.4	12%	0.115	5%	0.046	C	C	.	.			trans	-90.9	91.7	174.7	-53.2	-178.3	0	0	0	106.9	M328 C419 H422 L424	L305-M328 HydrophobicContact CD2-CG 3.77Å; L305-M328 HydrophobicContact CD2-SD 4.4Å; L305-C419 WeakPolarHBondContact O-CB 3.34Å; L305-H422 HydrophobicContact CB-CB 4.07Å; L305-H422 VanDerWaalsContact O-CB 3.31Å; L305-H422 WeakPolarHBondContact O-CB 3.26Å; L305-L424 HydrophobicContact CD1-CD2 3.91Å; L305-L424 HydrophobicContact CD1-CG 3.78Å; L305-L424 HydrophobicContact CD2-CD2 4.08Å
306	C	97.1	Very high	97.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	6%	0.064	C	C	.	.			trans	-136.5	148.6	-174.2	-51.7	0	0	0	0	111.1	S304 W308 Y309 C419	S304-C306 WeakPolarHBondContact CB-SG 3.33Å; S304-C306 PolarHBondContact O-N 2.91Å; C306-W308 PolarHBondContact O-N 3.05Å; C306-Y309 WeakPolarHBondContact O-CB 3.21Å; C306-Y309 PolarHBondContact O-N 3.27Å; C306-Y309 VanDerWaalsContact O-N 3.09Å; C306-C419 HydrophobicContact CB-CB 3.97Å; C306-C419 WeakPolarHBondContact CB-SG 3.21Å; C306-C419 WeakPolarHBondContact SG-CB 3.43Å; C306-C419 CovalentContact SG-SG 2.03Å; C306-C419 PolarHBondContact SG-SG 2.84Å
307	R	94.5	Very high	97.4	Very high	67 Å²	67	14.7 Å²	14.7	25%	0.253	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	128.2	177.2	-162.7	-174.1	176.7	171.6	-5.8	111.5	Y309 E334 G418	R307-Y309 PolarHBondContact O-N 3.19Å; R307-E334 WeakPolarHBondContact CG-OE1 3.41Å; R307-E334 IonicContact NE-OE1 3.78Å; R307-E334 PolarHBondContact NE-OE1 3.28Å; R307-G418 VanDerWaalsContact CB-O 3.22Å; R307-G418 WeakPolarHBondContact CB-O 3.26Å; R307-G418 PolarHBondContact N-O 3.28Å
308	W	95	Very high	97.3	Very high	15 Å²	15	14.7 Å²	14.7	6%	0.057	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	3.1	-178.6	-54.7	115.2	0	0	0	116.3	F196 R197 L198 C306 I310 E334 R337	F196-W308 HydrophobicContact CD2-CB 4.14Å; F196-W308 VanDerWaalsContact CD2-O 3.28Å; F196-W308 WeakPolarHBondContact CD2-O 3.36Å; R197-W308 HydrophobicContact CG-CB 4.41Å; L198-W308 HydrophobicContact CB-CD2 3.76Å; L198-W308 HydrophobicContact CB-CE3 4.08Å; L198-W308 HydrophobicContact CB-CG 4.27Å; L198-W308 HydrophobicContact CB-CH2 4.11Å; L198-W308 HydrophobicContact CB-CZ2 3.78Å; L198-W308 HydrophobicContact CB-CZ3 4.24Å; L198-W308 HydrophobicContact CD2-CH2 3.45Å; L198-W308 VanDerWaalsContact CD2-CH2 3.45Å; L198-W308 HydrophobicContact CD2-CZ2 3.7Å; L198-W308 HydrophobicContact CD2-CZ3 3.93Å; L198-W308 HydrophobicContact CG-CH2 4.42Å; L198-W308 HydrophobicContact CG-CZ2 4.4Å; C306-W308 PolarHBondContact O-N 3.05Å; W308-I310 VanDerWaalsContact C-N 3.34Å; W308-I310 PolarHBondContact O-N 3.31Å; W308-E334 HydrophobicContact CD2-CG 4.24Å; W308-E334 HydrophobicContact CE3-CB 3.9Å; W308-E334 HydrophobicContact CE3-CG 3.94Å; W308-E334 HydrophobicContact CH2-CG 4.09Å; W308-E334 HydrophobicContact CZ2-CG 4.4Å; W308-E334 HydrophobicContact CZ3-CB 3.9Å; W308-E334 HydrophobicContact CZ3-CG 3.86Å; W308-E334 PolarHBondContact N-OE1 3.47Å; W308-E334 PolarHBondContact N-OE2 2.84Å; W308-R337 VanDerWaalsContact CH2-CD 3.47Å; W308-R337 HydrophobicContact CZ3-CB 4.32Å
309	Y	97.6	Very high	97.3	Very high	4 Å²	4	15 Å²	15	2%	0.016	7%	0.066	C	C	.	.			trans	-78.8	87.2	-177.3	-169.4	-114.1	0	0	0	109.9	E175 F196 Y206 E302 N303 C306 R307 T311	E175-Y309 PolarHBondContact OE2-OH 3.01Å; F196-Y309 AromaticContact CD1-CD2 3.91Å; F196-Y309 HydrophobicContact CD1-CD2 3.91Å; F196-Y309 HydrophobicContact CD1-CE2 4.3Å; F196-Y309 HydrophobicContact CD2-CD2 4.19Å; F196-Y309 AromaticContact CE1-CD2 3.41Å; F196-Y309 HydrophobicContact CE1-CD2 3.41Å; F196-Y309 VanDerWaalsContact CE1-CD2 3.41Å; F196-Y309 AromaticContact CE1-CE2 3.82Å; F196-Y309 HydrophobicContact CE1-CE2 3.82Å; F196-Y309 AromaticContact CE2-CD2 3.75Å; F196-Y309 HydrophobicContact CE2-CD2 3.75Å; F196-Y309 HydrophobicContact CE2-CG 4.26Å; F196-Y309 HydrophobicContact CG-CD2 4.29Å; F196-Y309 AromaticContact CZ-CD2 3.35Å; F196-Y309 HydrophobicContact CZ-CD2 3.35Å; F196-Y309 HydrophobicContact CZ-CE2 4.16Å; F196-Y309 HydrophobicContact CZ-CG 4.13Å; Y206-Y309 HydrophobicContact CE2-CE2 4.44Å; E302-Y309 HydrophobicContact CB-CD1 3.96Å; E302-Y309 HydrophobicContact CB-CE1 4.11Å; E302-Y309 HydrophobicContact CG-CD1 4.2Å; E302-Y309 HydrophobicContact CG-CE1 4.49Å; N303-Y309 WeakPolarHBondContact OD1-CE1 3.38Å; N303-Y309 PolarHBondContact OD1-OH 2.82Å; C306-Y309 WeakPolarHBondContact O-CB 3.21Å; C306-Y309 PolarHBondContact O-N 3.27Å; C306-Y309 VanDerWaalsContact O-N 3.09Å; R307-Y309 PolarHBondContact O-N 3.19Å; Y309-T311 HydrophobicContact CD1-CG2 4.28Å; Y309-T311 HydrophobicContact CD2-CG2 4.11Å; Y309-T311 HydrophobicContact CE1-CG2 3.85Å; Y309-T311 HydrophobicContact CE2-CG2 3.73Å; Y309-T311 HydrophobicContact CG-CG2 4.41Å
310	I	97.9	Very high	97.2	Very high	7 Å²	7	19.7 Å²	19.7	4%	0.036	9%	0.087	C	C	.	.			trans	-129.3	115.5	-178.6	-57.9	171.7	0	0	0	106.8	W308 L314 F315 A330 Y335 V338	W308-I310 VanDerWaalsContact C-N 3.34Å; W308-I310 PolarHBondContact O-N 3.31Å; I310-L314 HydrophobicContact CG2-CB 4Å; I310-L314 HydrophobicContact CG2-CD2 3.43Å; I310-L314 VanDerWaalsContact CG2-CD2 3.43Å; I310-L314 HydrophobicContact CG2-CG 4.36Å; I310-F315 HydrophobicContact CB-CE2 4.48Å; I310-F315 HydrophobicContact CG2-CE2 3.7Å; I310-F315 HydrophobicContact CG2-CZ 3.9Å; I310-A330 HydrophobicContact CD1-CB 3.91Å; I310-A330 HydrophobicContact CG1-CB 3.65Å; I310-Y335 HydrophobicContact CB-CE1 4.27Å; I310-Y335 HydrophobicContact CD1-CD1 3.8Å; I310-Y335 HydrophobicContact CD1-CD2 4.09Å; I310-Y335 HydrophobicContact CD1-CE1 4.06Å; I310-Y335 HydrophobicContact CD1-CE2 4.32Å; I310-Y335 HydrophobicContact CD1-CG 3.81Å; I310-Y335 HydrophobicContact CG1-CD1 4.12Å; I310-Y335 HydrophobicContact CG1-CD2 4.39Å; I310-Y335 HydrophobicContact CG1-CE1 3.83Å; I310-Y335 HydrophobicContact CG1-CE2 4.11Å; I310-Y335 HydrophobicContact CG1-CG 4.38Å; I310-Y335 HydrophobicContact CG2-CD1 3.99Å; I310-Y335 HydrophobicContact CG2-CE1 3.55Å; I310-V338 HydrophobicContact CD1-CG2 3.59Å; I310-V338 HydrophobicContact CG2-CG2 4.37Å
311	T	97.4	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.09	C	C	.	.			trans	-114	-167.4	-162.3	72.3	0	0	0	0	113.4	Y206 E302 Y309 K313 L314 F315	Y206-T311 HydrophobicContact CD1-CG2 4.27Å; Y206-T311 HydrophobicContact CD2-CG2 4.13Å; Y206-T311 HydrophobicContact CE1-CG2 4.11Å; Y206-T311 HydrophobicContact CE2-CG2 3.98Å; Y206-T311 HydrophobicContact CG-CG2 4.3Å; E302-T311 WeakPolarHBondContact OE1-CB 3.42Å; E302-T311 WeakPolarHBondContact OE1-CG2 3.1Å; E302-T311 PolarHBondContact OE1-N 2.73Å; E302-T311 PolarHBondContact OE1-OG1 3.24Å; E302-T311 VanDerWaalsContact OE2-CG2 3.27Å; E302-T311 WeakPolarHBondContact OE2-CG2 2.98Å; E302-T311 PolarHBondContact OE2-OG1 2.8Å; Y309-T311 HydrophobicContact CD1-CG2 4.28Å; Y309-T311 HydrophobicContact CD2-CG2 4.11Å; Y309-T311 HydrophobicContact CE1-CG2 3.85Å; Y309-T311 HydrophobicContact CE2-CG2 3.73Å; Y309-T311 HydrophobicContact CG-CG2 4.41Å; T311-K313 PolarHBondContact O-N 3.08Å; T311-K313 PolarHBondContact OG1-N 3.4Å; T311-K313 PolarHBondContact OG1-NZ 3.32Å; T311-L314 PolarHBondContact O-N 2.83Å; T311-L314 VanDerWaalsContact O-N 3.17Å; T311-F315 VanDerWaalsContact O-CD2 3.25Å; T311-F315 WeakPolarHBondContact O-CD2 3.34Å
312	E	95.7	Very high	96.9	Very high	51 Å²	51	21.4 Å²	21.4	24%	0.238	10%	0.096	C	C	.	.	H	α-helix	trans	-53.8	-21.8	174.7	75.9	-68.4	154.6	0	0	113	Y206 L314 K316 N317	Y206-E312 HydrophobicContact CD1-CB 4.45Å; Y206-E312 WeakPolarHBondContact CD1-OE2 3.19Å; Y206-E312 VanDerWaalsContact CE1-OE2 3.24Å; Y206-E312 WeakPolarHBondContact CE1-OE2 3.41Å; E312-L314 VanDerWaalsContact C-N 3.31Å; E312-L314 PolarHBondContact O-N 3Å; E312-K316 HydrophobicContact CB-CB 3.99Å; E312-K316 HydrophobicContact CB-CD 4.43Å; E312-K316 CarbonylContact O-C 3.53Å; E312-K316 WeakPolarHBondContact O-CA 3.45Å; E312-K316 WeakPolarHBondContact O-CB 3.39Å; E312-K316 PolarHBondContact O-N 2.96Å; E312-N317 PolarHBondContact O-N 2.69Å
313	K	97.7	Very high	97	Very high	21 Å²	21	21.4 Å²	21.4	9%	0.091	10%	0.096	C	C	.	.	I	π-helix	trans	-59.6	-42.6	179.5	-65.7	173.4	-156.8	63.6	0	111.7	S300 F301 E302 T311 N317 A318	S300-K313 PolarHBondContact OG-O 2.63Å; S300-K313 VanDerWaalsContact OG-O 3.09Å; F301-K313 VanDerWaalsContact O-CD 3.24Å; F301-K313 WeakPolarHBondContact O-CD 3.08Å; E302-K313 WeakPolarHBondContact OE2-CD 3.28Å; E302-K313 WeakPolarHBondContact OE2-CE 3.07Å; E302-K313 IonicContact OE2-NZ 2.8Å; E302-K313 PolarHBondContact OE2-NZ 3.12Å; T311-K313 PolarHBondContact O-N 3.08Å; T311-K313 PolarHBondContact OG1-N 3.4Å; T311-K313 PolarHBondContact OG1-NZ 3.32Å; K313-N317 WeakPolarHBondContact O-CB 3.18Å; K313-A318 PolarHBondContact O-N 2.89Å
314	L	98.7	Very high	97	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-72.9	-59.8	175.3	176.1	67.7	0	0	0	110.6	I310 T311 E312 L319 P325 V327 Y335 A339 F344	I310-L314 HydrophobicContact CG2-CB 4Å; I310-L314 HydrophobicContact CG2-CD2 3.43Å; I310-L314 VanDerWaalsContact CG2-CD2 3.43Å; I310-L314 HydrophobicContact CG2-CG 4.36Å; T311-L314 PolarHBondContact O-N 2.83Å; T311-L314 VanDerWaalsContact O-N 3.17Å; E312-L314 VanDerWaalsContact C-N 3.31Å; E312-L314 PolarHBondContact O-N 3Å; L314-L319 HydrophobicContact CD1-CD1 3.87Å; L314-L319 HydrophobicContact CD1-CG 4.08Å; L314-L319 HydrophobicContact CD2-CD1 4.39Å; L314-L319 HydrophobicContact CG-CD1 3.81Å; L314-L319 HydrophobicContact CG-CG 4.34Å; L314-L319 WeakPolarHBondContact O-CG 3.22Å; L314-L319 PolarHBondContact O-N 2.04Å; L314-P325 HydrophobicContact CD1-CB 3.73Å; L314-P325 HydrophobicContact CD1-CG 3.58Å; L314-V327 HydrophobicContact CD1-CG1 3.87Å; L314-Y335 HydrophobicContact CD2-CD1 3.82Å; L314-Y335 HydrophobicContact CD2-CE1 3.95Å; L314-A339 HydrophobicContact CD2-CB 4.15Å; L314-F344 HydrophobicContact CD1-CB 4.5Å
315	F	98	Very high	97.1	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.009	9%	0.092	C	C	.	.	I	π-helix	trans	-74	-57.1	-166.9	-55.2	-72.6	0	0	0	112.1	G207 I310 T311 L319 K320 V338 I382	G207-F315 VanDerWaalsContact C-CZ 3.41Å; G207-F315 WeakPolarHBondContact O-CE2 3.08Å; G207-F315 WeakPolarHBondContact O-CZ 3.06Å; I310-F315 HydrophobicContact CB-CE2 4.48Å; I310-F315 HydrophobicContact CG2-CE2 3.7Å; I310-F315 HydrophobicContact CG2-CZ 3.9Å; T311-F315 VanDerWaalsContact O-CD2 3.25Å; T311-F315 WeakPolarHBondContact O-CD2 3.34Å; F315-L319 HydrophobicContact CD1-CD1 4.39Å; F315-K320 WeakPolarHBondContact O-CB 3.46Å; F315-K320 WeakPolarHBondContact O-CG 3.42Å; F315-K320 PolarHBondContact O-N 3.04Å; F315-V338 HydrophobicContact CE1-CG2 4.48Å; F315-V338 HydrophobicContact CZ-CB 4.27Å; F315-V338 HydrophobicContact CZ-CG2 3.9Å; F315-I382 HydrophobicContact CB-CG2 3.94Å; F315-I382 HydrophobicContact CD1-CG2 4.1Å
316	K	95.7	Very high	97.2	Very high	88 Å²	88	19.6 Å²	19.6	38%	0.383	9%	0.087	S	C	.	.	I	π-helix	trans	-75.1	-54.3	-176.2	-172.7	176.2	-176.8	164.3	0	112.2	F288 E312 N321 D384	F288-K316 HydrophobicContact CZ-CD 4.45Å; F288-K316 HydrophobicContact CZ-CG 4.34Å; E312-K316 HydrophobicContact CB-CB 3.99Å; E312-K316 HydrophobicContact CB-CD 4.43Å; E312-K316 CarbonylContact O-C 3.53Å; E312-K316 WeakPolarHBondContact O-CA 3.45Å; E312-K316 WeakPolarHBondContact O-CB 3.39Å; E312-K316 PolarHBondContact O-N 2.96Å; K316-N321 PolarHBondContact O-ND2 3.38Å; K316-D384 VanDerWaalsContact CB-OD2 3.28Å; K316-D384 WeakPolarHBondContact CB-OD2 3.38Å; K316-D384 VanDerWaalsContact CD-OD2 3.31Å; K316-D384 WeakPolarHBondContact CD-OD2 3.26Å; K316-D384 WeakPolarHBondContact CG-OD2 3.31Å
317	N	96	Very high	97.3	Very high	16 Å²	16	19.6 Å²	19.6	9%	0.086	9%	0.087	C	C	.	.	I	π-helix	trans	-76.5	-33.3	-166.9	-59	-1.2	0	0	0	112	F288 I291 Y298 E312 K313	F288-N317 HydrophobicContact CE1-CB 3.97Å; F288-N317 WeakPolarHBondContact CE1-OD1 3.36Å; F288-N317 WeakPolarHBondContact CZ-OD1 3.19Å; I291-N317 WeakPolarHBondContact CD1-O 3.31Å; Y298-N317 HydrophobicContact CD1-CB 4.25Å; Y298-N317 HydrophobicContact CE1-CB 3.56Å; Y298-N317 HydrophobicContact CE2-CB 4.25Å; Y298-N317 PolarHBondContact OH-ND2 3.27Å; E312-N317 PolarHBondContact O-N 2.69Å; K313-N317 WeakPolarHBondContact O-CB 3.18Å
318	A	98.3	Very high	97.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.075	C	C	.	.	I	π-helix	trans	-106.1	-69.3	-178.3	0	0	0	0	0	113.2	Y298 K313 K320 N321 D322 I323 P325	Y298-A318 HydrophobicContact CD1-CB 3.9Å; Y298-A318 HydrophobicContact CG-CB 4.34Å; K313-A318 PolarHBondContact O-N 2.89Å; A318-K320 PolarHBondContact O-N 3.24Å; A318-N321 CarbonylContact O-C 3.51Å; A318-N321 WeakPolarHBondContact O-CA 2.96Å; A318-N321 PolarHBondContact O-N 2.58Å; A318-D322 PolarHBondContact O-N 3.45Å; A318-I323 CarbonylContact C-O 3.55Å; A318-I323 PolarHBondContact O-N 2.96Å; A318-P325 HydrophobicContact CB-CB 3.62Å; A318-P325 HydrophobicContact CB-CG 4.16Å
319	L	98.3	Very high	97.5	Very high	5 Å²	5	16 Å²	16	3%	0.026	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-61.9	-45.5	-168.3	-66.1	177.3	0	0	0	113	L314 F315 N321 D322 P325 P340 W376 I382	L314-L319 HydrophobicContact CD1-CD1 3.87Å; L314-L319 HydrophobicContact CD1-CG 4.08Å; L314-L319 HydrophobicContact CD2-CD1 4.39Å; L314-L319 HydrophobicContact CG-CD1 3.81Å; L314-L319 HydrophobicContact CG-CG 4.34Å; L314-L319 WeakPolarHBondContact O-CG 3.22Å; L314-L319 PolarHBondContact O-N 2.04Å; F315-L319 HydrophobicContact CD1-CD1 4.39Å; L319-N321 PolarHBondContact O-N 2.88Å; L319-N321 VanDerWaalsContact O-N 3.17Å; L319-D322 PolarHBondContact O-N 3.46Å; L319-P325 HydrophobicContact CD2-CG 3.8Å; L319-P325 HydrophobicContact CG-CG 4.25Å; L319-P340 HydrophobicContact CD1-CG 4.38Å; L319-W376 HydrophobicContact CB-CZ2 4.42Å; L319-W376 HydrophobicContact CD2-CZ2 4.06Å; L319-I382 HydrophobicContact CB-CD1 4.17Å; L319-I382 HydrophobicContact CB-CG1 4.07Å; L319-I382 HydrophobicContact CB-CG2 4.48Å; L319-I382 HydrophobicContact CD1-CD1 3.82Å
320	K	96.1	Very high	97.5	Very high	99 Å²	99	15.9 Å²	15.9	43%	0.43	8%	0.075	S	C	.	.	G	3₁₀ helix	trans	-67.6	-10.8	175.2	-73.5	-178.7	78.1	162.1	0	114	F315 A318 I382 D384	F315-K320 WeakPolarHBondContact O-CB 3.46Å; F315-K320 WeakPolarHBondContact O-CG 3.42Å; F315-K320 PolarHBondContact O-N 3.04Å; A318-K320 PolarHBondContact O-N 3.24Å; K320-I382 HydrophobicContact CD-CB 4.47Å; K320-I382 HydrophobicContact CD-CG2 4.08Å; K320-I382 HydrophobicContact CG-CB 3.83Å; K320-I382 HydrophobicContact CG-CG2 3.66Å; K320-D384 HydrophobicContact CD-CB 3.6Å
321	N	95.9	Very high	97.4	Very high	13 Å²	13	17.2 Å²	17.2	7%	0.07	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-112.1	16	-176.8	-82.6	-66.2	0	0	0	113.5	F288 R292 K316 A318 L319 I323	F288-N321 WeakPolarHBondContact CD1-ND2 3.46Å; R292-N321 WeakPolarHBondContact CA-O 3.47Å; R292-N321 HydrophobicContact CB-CB 4.32Å; R292-N321 WeakPolarHBondContact CB-O 3.48Å; R292-N321 WeakPolarHBondContact CG-O 3.47Å; K316-N321 PolarHBondContact O-ND2 3.38Å; A318-N321 CarbonylContact O-C 3.51Å; A318-N321 WeakPolarHBondContact O-CA 2.96Å; A318-N321 PolarHBondContact O-N 2.58Å; L319-N321 PolarHBondContact O-N 2.88Å; L319-N321 VanDerWaalsContact O-N 3.17Å; N321-I323 VanDerWaalsContact C-N 3.32Å; N321-I323 HydrophobicContact CB-CD1 4.33Å; N321-I323 WeakPolarHBondContact O-CG1 3.21Å; N321-I323 PolarHBondContact O-N 3.05Å
322	D	96.5	Very high	97.3	Very high	23 Å²	23	18.7 Å²	18.7	12%	0.123	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	42.4	176.6	-61.2	-19.6	0	0	0	112.5	R227 Y229 K233 R292 A318 L319 H377	R227-D322 IonicContact CZ-OD2 3.36Å; R227-D322 VanDerWaalsContact CZ-OD2 3.26Å; R227-D322 IonicContact NH1-OD2 3.8Å; R227-D322 PolarHBondContact NH1-OD2 3.14Å; R227-D322 IonicContact NH2-OD2 3.72Å; R227-D322 PolarHBondContact NH2-OD2 3.25Å; Y229-D322 HydrophobicContact CD1-CB 3.9Å; Y229-D322 HydrophobicContact CE1-CB 4.09Å; K233-D322 WeakPolarHBondContact CE-O 3.2Å; K233-D322 PolarHBondContact NZ-O 3.45Å; R292-D322 HydrophobicContact CG-CB 4.45Å; A318-D322 PolarHBondContact O-N 3.45Å; L319-D322 PolarHBondContact O-N 3.46Å; D322-H377 IonicContact OD1-CE1 3.99Å; D322-H377 PolarHBondContact OD1-CE1 3.17Å; D322-H377 IonicContact OD1-NE2 2.68Å
323	I	98.3	Very high	97.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.			trans	-129.4	140.5	177.6	-50	169.9	0	0	0	108.8	I291 K296 F297 A318 N321 P325	I291-I323 HydrophobicContact CB-CD1 3.55Å; I291-I323 HydrophobicContact CD1-CD1 3.58Å; I291-I323 HydrophobicContact CG1-CD1 3.48Å; I291-I323 VanDerWaalsContact CG1-CD1 3.48Å; I291-I323 WeakPolarHBondContact O-CD1 3.47Å; K296-I323 WeakPolarHBondContact O-CG2 3.38Å; F297-I323 VanDerWaalsContact C-CG2 3.45Å; A318-I323 CarbonylContact C-O 3.55Å; A318-I323 PolarHBondContact O-N 2.96Å; N321-I323 VanDerWaalsContact C-N 3.32Å; N321-I323 HydrophobicContact CB-CD1 4.33Å; N321-I323 WeakPolarHBondContact O-CG1 3.21Å; N321-I323 PolarHBondContact O-N 3.05Å; I323-P325 WeakPolarHBondContact O-CD 3.24Å
324	L	98.9	Very high	97.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	112.8	-180	178.4	46.4	0	0	0	110.3	K296 F297 Y298 I345 L363 Y370 Y373 F374	K296-L324 WeakPolarHBondContact O-CB 3.11Å; K296-L324 PolarHBondContact O-N 3.49Å; K296-L324 VanDerWaalsContact O-N 3.11Å; F297-L324 WeakPolarHBondContact CA-O 3.26Å; F297-L324 HydrophobicContact CD1-CB 4.08Å; F297-L324 HydrophobicContact CD1-CD2 4.1Å; F297-L324 HydrophobicContact CD1-CG 4.21Å; F297-L324 HydrophobicContact CE1-CD2 4.02Å; Y298-L324 PolarHBondContact N-O 2.89Å; L324-I345 HydrophobicContact CD1-CG1 4.33Å; L324-I345 HydrophobicContact CD2-CD1 3.73Å; L324-I345 HydrophobicContact CD2-CG1 4.24Å; L324-I345 HydrophobicContact CG-CD1 4.13Å; L324-I345 HydrophobicContact CG-CG1 4.34Å; L324-L363 HydrophobicContact CD2-CD1 4.07Å; L324-Y370 HydrophobicContact CB-CE2 3.95Å; L324-Y370 HydrophobicContact CD2-CD2 4.24Å; L324-Y370 HydrophobicContact CD2-CE2 4.1Å; L324-Y373 HydrophobicContact CD1-CD1 3.52Å; L324-Y373 HydrophobicContact CD1-CE1 4.26Å; L324-Y373 HydrophobicContact CD1-CG 3.72Å; L324-Y373 HydrophobicContact CD2-CD1 4.01Å; L324-Y373 HydrophobicContact CD2-CD2 3.63Å; L324-Y373 HydrophobicContact CD2-CE1 4.48Å; L324-Y373 HydrophobicContact CD2-CE2 4.12Å; L324-Y373 HydrophobicContact CD2-CG 3.56Å; L324-Y373 HydrophobicContact CG-CD1 4.43Å; L324-Y373 HydrophobicContact CG-CG 4.31Å; L324-F374 HydrophobicContact CB-CE2 4.17Å; L324-F374 HydrophobicContact CB-CZ 4.03Å
325	P	98.9	Very high	97	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.7	177	26	-34.1	0	0	0	112.1	Y298 S300 L314 A318 L319 I323 V327 S343 F344 I345	Y298-P325 WeakPolarHBondContact O-CA 3.45Å; S300-P325 WeakPolarHBondContact OG-CB 3.33Å; L314-P325 HydrophobicContact CD1-CB 3.73Å; L314-P325 HydrophobicContact CD1-CG 3.58Å; A318-P325 HydrophobicContact CB-CB 3.62Å; A318-P325 HydrophobicContact CB-CG 4.16Å; L319-P325 HydrophobicContact CD2-CG 3.8Å; L319-P325 HydrophobicContact CG-CG 4.25Å; I323-P325 WeakPolarHBondContact O-CD 3.24Å; P325-V327 HydrophobicContact CB-CG1 4.06Å; P325-S343 VanDerWaalsContact CD-O 3.26Å; P325-S343 WeakPolarHBondContact CD-O 3.34Å; P325-S343 VanDerWaalsContact CG-O 3.29Å; P325-S343 WeakPolarHBondContact CG-O 3.34Å; P325-F344 HydrophobicContact CB-CB 4.46Å; P325-F344 HydrophobicContact CG-CB 3.72Å; P325-F344 WeakPolarHBondContact O-CA 3.46Å; P325-I345 PolarHBondContact O-N 3.36Å
326	I	99	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.6	162.2	-55.4	163.9	0	0	0	107	F297 Y298 L299 S300 F301 I345 V347 L356 L360	F297-I326 HydrophobicContact CB-CD1 3.72Å; F297-I326 HydrophobicContact CB-CG1 4.29Å; F297-I326 HydrophobicContact CG-CD1 4.32Å; Y298-I326 PolarHBondContact O-N 3.29Å; L299-I326 HydrophobicContact CD2-CB 3.92Å; L299-I326 HydrophobicContact CD2-CD1 3.75Å; L299-I326 HydrophobicContact CD2-CG1 4.43Å; L299-I326 HydrophobicContact CD2-CG2 4.19Å; S300-I326 WeakPolarHBondContact CA-O 3.33Å; S300-I326 PolarHBondContact N-O 2.91Å; F301-I326 WeakPolarHBondContact CD1-O 3.4Å; F301-I326 HydrophobicContact CE1-CB 4.47Å; F301-I326 HydrophobicContact CE1-CG2 3.9Å; F301-I326 WeakPolarHBondContact CE1-O 3.48Å; F301-I326 HydrophobicContact CZ-CG2 4.38Å; I326-I345 CarbonylContact C-O 3.44Å; I326-I345 VanDerWaalsContact CA-O 3.24Å; I326-I345 WeakPolarHBondContact CA-O 3.5Å; I326-I345 HydrophobicContact CG1-CB 4.5Å; I326-V347 HydrophobicContact CG2-CG1 4.12Å; I326-L356 HydrophobicContact CG2-CD2 3.91Å; I326-L360 HydrophobicContact CD1-CD1 3.47Å; I326-L360 VanDerWaalsContact CD1-CD1 3.47Å; I326-L360 HydrophobicContact CD1-CD2 3.79Å; I326-L360 HydrophobicContact CD1-CG 4.27Å; I326-L360 HydrophobicContact CG1-CD2 4.2Å
327	V	98.9	Very high	96.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.9	-169	-56.3	0	0	0	0	112.4	L314 P325 Y335 F344 I345 H346 V347	L314-V327 HydrophobicContact CD1-CG1 3.87Å; P325-V327 HydrophobicContact CB-CG1 4.06Å; V327-Y335 HydrophobicContact CB-CD1 4.18Å; V327-Y335 HydrophobicContact CB-CE1 3.6Å; V327-Y335 HydrophobicContact CB-CE2 4.09Å; V327-Y335 HydrophobicContact CG1-CD1 4.02Å; V327-Y335 HydrophobicContact CG1-CE1 3.55Å; V327-Y335 HydrophobicContact CG2-CD1 4.07Å; V327-Y335 HydrophobicContact CG2-CD2 4.06Å; V327-Y335 HydrophobicContact CG2-CE1 3.95Å; V327-Y335 HydrophobicContact CG2-CE2 3.96Å; V327-Y335 HydrophobicContact CG2-CG 4.13Å; V327-F344 HydrophobicContact CG1-CB 4.11Å; V327-F344 HydrophobicContact CG1-CD2 4.43Å; V327-F344 HydrophobicContact CG2-CD2 3.52Å; V327-F344 HydrophobicContact CG2-CE2 4.05Å; V327-F344 HydrophobicContact CG2-CG 4.36Å; V327-I345 PolarHBondContact N-O 3.06Å; V327-H346 HydrophobicContact CG2-CB 3.84Å; V327-V347 PolarHBondContact O-N 2.98Å; V327-V347 VanDerWaalsContact O-N 3.13Å
328	M	98.3	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	117.4	171.8	175.2	-170.3	-69.9	0	0	107.4	R250 Y253 F301 E302 L305 V347 L424	R250-M328 HydrophobicContact CB-SD 3.95Å; Y253-M328 VanDerWaalsContact CB-CE 3.49Å; Y253-M328 HydrophobicContact CD1-CE 3.99Å; Y253-M328 HydrophobicContact CD2-CE 3.4Å; Y253-M328 VanDerWaalsContact CD2-CE 3.4Å; Y253-M328 HydrophobicContact CE2-CE 4.14Å; Y253-M328 HydrophobicContact CG-CE 3.34Å; F301-M328 HydrophobicContact CB-CB 4.24Å; F301-M328 HydrophobicContact CD1-CB 3.44Å; F301-M328 VanDerWaalsContact CD1-CB 3.44Å; F301-M328 HydrophobicContact CD2-CE 4.23Å; F301-M328 HydrophobicContact CD2-SD 4.37Å; F301-M328 HydrophobicContact CE1-CB 3.85Å; F301-M328 HydrophobicContact CE1-CE 4.49Å; F301-M328 HydrophobicContact CE2-CE 4.01Å; F301-M328 HydrophobicContact CG-CB 3.87Å; F301-M328 HydrophobicContact CG-SD 4.38Å; F301-M328 HydrophobicContact CZ-CE 4.14Å; E302-M328 WeakPolarHBondContact CB-O 3.49Å; E302-M328 PolarHBondContact N-O 3.44Å; L305-M328 HydrophobicContact CD2-CG 3.77Å; L305-M328 HydrophobicContact CD2-SD 4.4Å; M328-V347 HydrophobicContact CB-CG1 4.32Å; M328-V347 HydrophobicContact CB-CG2 3.95Å; M328-V347 HydrophobicContact CE-CG1 4.17Å; M328-V347 HydrophobicContact CE-CG2 4.09Å; M328-V347 HydrophobicContact CG-CG2 4.1Å; M328-L424 HydrophobicContact CE-CD1 3.48Å; M328-L424 VanDerWaalsContact CE-CD1 3.48Å; M328-L424 HydrophobicContact CG-CD1 4.2Å; M328-L424 HydrophobicContact CG-CD2 3.83Å; M328-L424 HydrophobicContact SD-CD1 3.81Å
329	G	96.7	Very high	96.5	Very high	6 Å²	6	27.2 Å²	27.2	6%	0.062	13%	0.128	C	C	.	.	S	Bend	trans	171.5	-113.3	-178	0	0	0	0	0	112.2
330	A	96.2	Very high	96.5	Very high	1 Å²	1	27 Å²	27	1%	0.008	13%	0.127	C	C	.	.	S	Bend	trans	-57.1	170.3	168.6	0	0	0	0	0	112.9	I310 E334 Y335 H346	I310-A330 HydrophobicContact CD1-CB 3.91Å; I310-A330 HydrophobicContact CG1-CB 3.65Å; A330-E334 HydrophobicContact CB-CB 4.01Å; A330-E334 WeakPolarHBondContact CB-OE2 3.31Å; A330-Y335 HydrophobicContact CB-CD2 4.19Å; A330-Y335 HydrophobicContact CB-CE2 3.93Å; A330-Y335 WeakPolarHBondContact O-CE2 3.48Å; A330-H346 PolarHBondContact O-NE2 3.3Å
331	S	95.4	Very high	96.6	Very high	36 Å²	36	22.6 Å²	22.6	25%	0.252	11%	0.108	S	C	.	.			trans	-69.6	161.8	-179.5	93.1	0	0	0	0	112.9	E333 E334 Y335	S331-E333 WeakPolarHBondContact CB-OE2 3.41Å; S331-E333 PolarHBondContact O-N 3.49Å; S331-E333 PolarHBondContact OG-N 2.93Å; S331-E333 PolarHBondContact OG-OE2 3.31Å; S331-E334 PolarHBondContact N-OE2 2.95Å; S331-E334 PolarHBondContact O-N 2.97Å; S331-E334 PolarHBondContact OG-N 3.32Å; S331-Y335 WeakPolarHBondContact O-CD2 3.35Å; S331-Y335 PolarHBondContact O-N 3.06Å
332	I	96.2	Very high	96.6	Very high	30 Å²	30	26.2 Å²	26.2	15%	0.154	12%	0.122	C	C	.	.	H	α-helix	trans	-52.9	-46.2	175.4	-64.5	171.7	0	0	0	110.5	E334 Y335 E336 H346 D348 Q349	I332-E334 VanDerWaalsContact C-N 3.29Å; I332-E334 PolarHBondContact O-N 3.26Å; I332-Y335 PolarHBondContact O-N 2.99Å; I332-E336 HydrophobicContact CG2-CG 4.32Å; I332-E336 WeakPolarHBondContact O-CG 3.46Å; I332-E336 PolarHBondContact O-N 2.75Å; I332-H346 HydrophobicContact CD1-CB 4.28Å; I332-H346 HydrophobicContact CG1-CB 3.73Å; I332-D348 HydrophobicContact CD1-CB 4.42Å; I332-Q349 HydrophobicContact CD1-CG 3.88Å
333	E	93.9	Very high	96.7	Very high	110 Å²	110	25.2 Å²	25.2	51%	0.514	12%	0.116	S	C	.	.	H	α-helix	trans	-65.9	-30.7	-178.8	-56.2	74.9	-162.7	0	0	112.5	S331 R337	S331-E333 WeakPolarHBondContact CB-OE2 3.41Å; S331-E333 PolarHBondContact O-N 3.49Å; S331-E333 PolarHBondContact OG-N 2.93Å; S331-E333 PolarHBondContact OG-OE2 3.31Å; E333-R337 VanDerWaalsContact O-CG 3.3Å; E333-R337 WeakPolarHBondContact O-CG 3.47Å; E333-R337 PolarHBondContact O-N 3.11Å
334	E	94.3	Very high	96.8	Very high	15 Å²	15	25.9 Å²	25.9	7%	0.07	12%	0.119	C	C	.	.	H	α-helix	trans	-73.3	-39.8	175.2	-66.8	-174.7	137.4	0	0	111.3	R307 W308 A330 S331 I332 R337 H422	R307-E334 WeakPolarHBondContact CG-OE1 3.41Å; R307-E334 IonicContact NE-OE1 3.78Å; R307-E334 PolarHBondContact NE-OE1 3.28Å; W308-E334 HydrophobicContact CD2-CG 4.24Å; W308-E334 HydrophobicContact CE3-CB 3.9Å; W308-E334 HydrophobicContact CE3-CG 3.94Å; W308-E334 HydrophobicContact CH2-CG 4.09Å; W308-E334 HydrophobicContact CZ2-CG 4.4Å; W308-E334 HydrophobicContact CZ3-CB 3.9Å; W308-E334 HydrophobicContact CZ3-CG 3.86Å; W308-E334 PolarHBondContact N-OE1 3.47Å; W308-E334 PolarHBondContact N-OE2 2.84Å; A330-E334 HydrophobicContact CB-CB 4.01Å; A330-E334 WeakPolarHBondContact CB-OE2 3.31Å; S331-E334 PolarHBondContact N-OE2 2.95Å; S331-E334 PolarHBondContact O-N 2.97Å; S331-E334 PolarHBondContact OG-N 3.32Å; I332-E334 VanDerWaalsContact C-N 3.29Å; I332-E334 PolarHBondContact O-N 3.26Å; E334-R337 PolarHBondContact O-N 2.68Å; E334-H422 IonicContact OE2-NE2 2.66Å
335	Y	97	Very high	96.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.6	-44.5	170.8	-83.6	-84.5	0	0	0	112	I310 L314 V327 A330 S331 I332 R337 V338 A339 F344 H346	I310-Y335 HydrophobicContact CB-CE1 4.27Å; I310-Y335 HydrophobicContact CD1-CD1 3.8Å; I310-Y335 HydrophobicContact CD1-CD2 4.09Å; I310-Y335 HydrophobicContact CD1-CE1 4.06Å; I310-Y335 HydrophobicContact CD1-CE2 4.32Å; I310-Y335 HydrophobicContact CD1-CG 3.81Å; I310-Y335 HydrophobicContact CG1-CD1 4.12Å; I310-Y335 HydrophobicContact CG1-CD2 4.39Å; I310-Y335 HydrophobicContact CG1-CE1 3.83Å; I310-Y335 HydrophobicContact CG1-CE2 4.11Å; I310-Y335 HydrophobicContact CG1-CG 4.38Å; I310-Y335 HydrophobicContact CG2-CD1 3.99Å; I310-Y335 HydrophobicContact CG2-CE1 3.55Å; L314-Y335 HydrophobicContact CD2-CD1 3.82Å; L314-Y335 HydrophobicContact CD2-CE1 3.95Å; V327-Y335 HydrophobicContact CB-CD1 4.18Å; V327-Y335 HydrophobicContact CB-CE1 3.6Å; V327-Y335 HydrophobicContact CB-CE2 4.09Å; V327-Y335 HydrophobicContact CG1-CD1 4.02Å; V327-Y335 HydrophobicContact CG1-CE1 3.55Å; V327-Y335 HydrophobicContact CG2-CD1 4.07Å; V327-Y335 HydrophobicContact CG2-CD2 4.06Å; V327-Y335 HydrophobicContact CG2-CE1 3.95Å; V327-Y335 HydrophobicContact CG2-CE2 3.96Å; V327-Y335 HydrophobicContact CG2-CG 4.13Å; A330-Y335 HydrophobicContact CB-CD2 4.19Å; A330-Y335 HydrophobicContact CB-CE2 3.93Å; A330-Y335 WeakPolarHBondContact O-CE2 3.48Å; S331-Y335 WeakPolarHBondContact O-CD2 3.35Å; S331-Y335 PolarHBondContact O-N 3.06Å; I332-Y335 PolarHBondContact O-N 2.99Å; Y335-R337 PolarHBondContact O-N 2.94Å; Y335-R337 VanDerWaalsContact O-N 3.15Å; Y335-V338 PolarHBondContact O-N 3.48Å; Y335-V338 VanDerWaalsContact O-N 3.14Å; Y335-A339 VanDerWaalsContact O-CB 3.24Å; Y335-A339 WeakPolarHBondContact O-CB 3.5Å; Y335-A339 PolarHBondContact O-N 3.33Å; Y335-F344 HydrophobicContact CG-CE2 4.3Å; Y335-F344 HydrophobicContact CG-CZ 4.35Å; Y335-H346 AromaticContact CD2-CD2 3.79Å
336	E	95.7	Very high	96.8	Very high	58 Å²	58	25.9 Å²	25.9	27%	0.271	12%	0.119	S	C	.	.	H	α-helix	trans	-58.7	-25.8	177.5	-75	-177.7	160.9	0	0	113.1	P218 I332 F344	P218-E336 HydrophobicContact CB-CB 4.4Å; P218-E336 WeakPolarHBondContact CB-O 3.24Å; I332-E336 HydrophobicContact CG2-CG 4.32Å; I332-E336 WeakPolarHBondContact O-CG 3.46Å; I332-E336 PolarHBondContact O-N 2.75Å; E336-F344 HydrophobicContact CG-CE1 4.35Å; E336-F344 HydrophobicContact CG-CZ 4Å
337	R	92.5	Very high	96.7	Very high	158 Å²	158	25.9 Å²	25.9	60%	0.596	12%	0.119	S	C	*	.	H	α-helix	trans	-79.6	-21.3	179.1	-76.2	172.6	-177	-129.4	4.3	114.5	W308 E333 E334 Y335	W308-R337 VanDerWaalsContact CH2-CD 3.47Å; W308-R337 HydrophobicContact CZ3-CB 4.32Å; E333-R337 VanDerWaalsContact O-CG 3.3Å; E333-R337 WeakPolarHBondContact O-CG 3.47Å; E333-R337 PolarHBondContact O-N 3.11Å; E334-R337 PolarHBondContact O-N 2.68Å; Y335-R337 PolarHBondContact O-N 2.94Å; Y335-R337 VanDerWaalsContact O-N 3.15Å
338	V	93.3	Very high	96.7	Very high	14 Å²	14	27 Å²	27	9%	0.085	13%	0.125	C	C	.	.	H	α-helix	trans	-120.9	-23.2	-172.6	-57.2	0	0	0	0	113.5	Y209 I310 F315 Y335	Y209-V338 PolarHBondContact N-O 3.32Å; I310-V338 HydrophobicContact CD1-CG2 3.59Å; I310-V338 HydrophobicContact CG2-CG2 4.37Å; F315-V338 HydrophobicContact CE1-CG2 4.48Å; F315-V338 HydrophobicContact CZ-CB 4.27Å; F315-V338 HydrophobicContact CZ-CG2 3.9Å; Y335-V338 PolarHBondContact O-N 3.48Å; Y335-V338 VanDerWaalsContact O-N 3.14Å
339	A	97.3	Very high	96.6	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	15%	0.145	C	C	.	.	S	Bend	trans	-88.7	157.9	176.4	0	0	0	0	0	110.9	L314 Y335 F344	L314-A339 HydrophobicContact CD2-CB 4.15Å; Y335-A339 VanDerWaalsContact O-CB 3.24Å; Y335-A339 WeakPolarHBondContact O-CB 3.5Å; Y335-A339 PolarHBondContact O-N 3.33Å; A339-F344 HydrophobicContact CB-CD1 3.79Å; A339-F344 HydrophobicContact CB-CE1 3.99Å
340	P	98	Very high	96.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-57.4	153.7	166	-10.7	19.6	0	0	0	111.6	Y209 L319 Y342 S343 W376 I382	Y209-P340 HydrophobicContact CD1-CB 4.01Å; Y209-P340 HydrophobicContact CD1-CG 4.32Å; Y209-P340 HydrophobicContact CD2-CB 3.96Å; Y209-P340 HydrophobicContact CD2-CG 3.59Å; Y209-P340 HydrophobicContact CE1-CB 4.09Å; Y209-P340 HydrophobicContact CE2-CB 4Å; Y209-P340 HydrophobicContact CE2-CG 4Å; Y209-P340 HydrophobicContact CG-CB 3.94Å; Y209-P340 HydrophobicContact CG-CG 3.73Å; L319-P340 HydrophobicContact CD1-CG 4.38Å; P340-Y342 PolarHBondContact O-N 2.93Å; P340-S343 WeakPolarHBondContact CD-OG 3.26Å; P340-S343 WeakPolarHBondContact O-CB 3.03Å; P340-S343 PolarHBondContact O-N 3.28Å; P340-S343 PolarHBondContact O-OG 3.41Å; P340-W376 HydrophobicContact CB-CB 3.52Å; P340-W376 HydrophobicContact CB-CD2 3.61Å; P340-W376 HydrophobicContact CB-CE3 4.02Å; P340-W376 HydrophobicContact CB-CG 3.37Å; P340-W376 HydrophobicContact CG-CB 4.48Å; P340-W376 HydrophobicContact CG-CD2 3.58Å; P340-W376 HydrophobicContact CG-CE3 3.74Å; P340-W376 HydrophobicContact CG-CG 3.92Å; P340-W376 HydrophobicContact CG-CZ2 4.41Å; P340-W376 HydrophobicContact CG-CZ3 4.23Å; P340-I382 HydrophobicContact CG-CD1 3.54Å
341	P	96.8	Very high	96.7	Very high	7 Å²	7	40 Å²	40	5%	0.045	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	136.3	-177.3	30.1	-33.7	0	0	0	109.4	P218 T220 Y222 S343	P218-P341 VanDerWaalsContact O-CB 3.28Å; P218-P341 WeakPolarHBondContact O-CB 3.38Å; T220-P341 VanDerWaalsContact O-CB 3.23Å; T220-P341 WeakPolarHBondContact O-CB 3.31Å; T220-P341 WeakPolarHBondContact O-CG 3.43Å; Y222-P341 HydrophobicContact CD2-CG 3.8Å; Y222-P341 HydrophobicContact CE2-CG 3.44Å; Y222-P341 VanDerWaalsContact CE2-CG 3.44Å; P341-S343 PolarHBondContact O-N 3.32Å
342	Y	97.5	Very high	96.7	Very high	90 Å²	90	39.9 Å²	39.9	35%	0.353	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	31.9	179.6	-50.6	-73	0	0	0	114.3	K219 R221 P340 Y373	K219-Y342 WeakPolarHBondContact O-CE2 3.47Å; K219-Y342 PolarHBondContact O-OH 2.91Å; R221-Y342 HydrophobicContact CG-CD2 4.31Å; R221-Y342 HydrophobicContact CG-CE2 3.53Å; P340-Y342 PolarHBondContact O-N 2.93Å; Y342-Y373 VanDerWaalsContact O-CA 3.26Å; Y342-Y373 WeakPolarHBondContact O-CA 3.29Å; Y342-Y373 WeakPolarHBondContact O-CD1 3.17Å
343	S	98.6	Very high	96.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	18%	0.176	C	C	.	.			trans	-103	4.8	-175.1	78.4	0	0	0	0	115.2	P325 P340 P341 W376	P325-S343 VanDerWaalsContact CD-O 3.26Å; P325-S343 WeakPolarHBondContact CD-O 3.34Å; P325-S343 VanDerWaalsContact CG-O 3.29Å; P325-S343 WeakPolarHBondContact CG-O 3.34Å; P340-S343 WeakPolarHBondContact CD-OG 3.26Å; P340-S343 WeakPolarHBondContact O-CB 3.03Å; P340-S343 PolarHBondContact O-N 3.28Å; P340-S343 PolarHBondContact O-OG 3.41Å; P341-S343 PolarHBondContact O-N 3.32Å; S343-W376 VanDerWaalsContact CB-CD1 3.47Å
344	F	98.8	Very high	97.1	Very high	15 Å²	15	34.5 Å²	34.5	7%	0.066	16%	0.161	C	C	.	.			trans	-146.4	161.1	-176.4	69	-90.9	0	0	0	111.9	L314 P325 V327 Y335 E336 A339 H346 Y373	L314-F344 HydrophobicContact CD1-CB 4.5Å; P325-F344 HydrophobicContact CB-CB 4.46Å; P325-F344 HydrophobicContact CG-CB 3.72Å; P325-F344 WeakPolarHBondContact O-CA 3.46Å; V327-F344 HydrophobicContact CG1-CB 4.11Å; V327-F344 HydrophobicContact CG1-CD2 4.43Å; V327-F344 HydrophobicContact CG2-CD2 3.52Å; V327-F344 HydrophobicContact CG2-CE2 4.05Å; V327-F344 HydrophobicContact CG2-CG 4.36Å; Y335-F344 HydrophobicContact CG-CE2 4.3Å; Y335-F344 HydrophobicContact CG-CZ 4.35Å; E336-F344 HydrophobicContact CG-CE1 4.35Å; E336-F344 HydrophobicContact CG-CZ 4Å; A339-F344 HydrophobicContact CB-CD1 3.79Å; A339-F344 HydrophobicContact CB-CE1 3.99Å; F344-H346 HydrophobicContact CD2-CB 4.37Å; F344-H346 HydrophobicContact CE2-CB 4.1Å; F344-Y373 WeakPolarHBondContact O-CE1 3.48Å
345	I	98.9	Very high	97.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.5	171.9	-61.1	174.7	0	0	0	108	L324 P325 I326 V327 F350 L356 Y359 L360 L363 Y373	L324-I345 HydrophobicContact CD1-CG1 4.33Å; L324-I345 HydrophobicContact CD2-CD1 3.73Å; L324-I345 HydrophobicContact CD2-CG1 4.24Å; L324-I345 HydrophobicContact CG-CD1 4.13Å; L324-I345 HydrophobicContact CG-CG1 4.34Å; P325-I345 PolarHBondContact O-N 3.36Å; I326-I345 CarbonylContact C-O 3.44Å; I326-I345 VanDerWaalsContact CA-O 3.24Å; I326-I345 WeakPolarHBondContact CA-O 3.5Å; I326-I345 HydrophobicContact CG1-CB 4.5Å; V327-I345 PolarHBondContact N-O 3.06Å; I345-F350 HydrophobicContact CG2-CD2 4.48Å; I345-F350 HydrophobicContact CG2-CE2 3.48Å; I345-F350 VanDerWaalsContact CG2-CE2 3.48Å; I345-F350 HydrophobicContact CG2-CZ 4.09Å; I345-L356 HydrophobicContact CG2-CD1 3.75Å; I345-Y359 HydrophobicContact CD1-CD1 4.23Å; I345-Y359 HydrophobicContact CD1-CE1 3.96Å; I345-L360 HydrophobicContact CD1-CD2 3.72Å; I345-L363 HydrophobicContact CD1-CD1 3.67Å; I345-Y373 HydrophobicContact CG1-CE1 3.77Å
346	H	98.8	Very high	97.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	137.6	175.1	-160.4	-62.4	0	0	0	110.6	V327 A330 I332 Y335 F344 D348 Q349	V327-H346 HydrophobicContact CG2-CB 3.84Å; A330-H346 PolarHBondContact O-NE2 3.3Å; I332-H346 HydrophobicContact CD1-CB 4.28Å; I332-H346 HydrophobicContact CG1-CB 3.73Å; Y335-H346 AromaticContact CD2-CD2 3.79Å; F344-H346 HydrophobicContact CD2-CB 4.37Å; F344-H346 HydrophobicContact CE2-CB 4.1Å; H346-D348 IonicContact CE1-OD2 2.91Å; H346-D348 PolarHBondContact CE1-OD2 2.83Å; H346-D348 PolarHBondContact ND1-N 3.12Å; H346-D348 IonicContact ND1-OD2 3.62Å; H346-D348 PolarHBondContact O-N 3.39Å; H346-Q349 HydrophobicContact CB-CG 4.21Å; H346-Q349 WeakPolarHBondContact O-CB 3.49Å; H346-Q349 PolarHBondContact O-N 2.84Å; H346-Q349 PolarHBondContact O-OE1 3.21Å
347	V	98.7	Very high	97.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-57.3	-24.8	179.5	-67.6	0	0	0	0	114.5	Y253 F301 I326 V327 M328 Q349 F350 L356 L424	Y253-V347 HydrophobicContact CD1-CG1 4.38Å; Y253-V347 HydrophobicContact CE1-CB 4.29Å; Y253-V347 HydrophobicContact CE1-CG1 3.75Å; Y253-V347 HydrophobicContact CE2-CB 3.97Å; Y253-V347 HydrophobicContact CE2-CG1 4.24Å; F301-V347 HydrophobicContact CE1-CG1 3.7Å; F301-V347 HydrophobicContact CZ-CG1 3.78Å; I326-V347 HydrophobicContact CG2-CG1 4.12Å; V327-V347 PolarHBondContact O-N 2.98Å; V327-V347 VanDerWaalsContact O-N 3.13Å; M328-V347 HydrophobicContact CB-CG1 4.32Å; M328-V347 HydrophobicContact CB-CG2 3.95Å; M328-V347 HydrophobicContact CE-CG1 4.17Å; M328-V347 HydrophobicContact CE-CG2 4.09Å; M328-V347 HydrophobicContact CG-CG2 4.1Å; V347-Q349 VanDerWaalsContact C-N 3.29Å; V347-Q349 PolarHBondContact O-N 2.96Å; V347-F350 PolarHBondContact O-N 3.25Å; V347-L356 HydrophobicContact CG1-CD2 4.24Å; V347-L424 HydrophobicContact CG2-CD2 4Å
348	D	97.2	Very high	97.8	Very high	22 Å²	22	32.6 Å²	32.6	12%	0.118	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-86.1	-2.3	-177.2	-70.7	-34.9	0	0	0	112.5	I332 H346 F350 L424 R425	I332-D348 HydrophobicContact CD1-CB 4.42Å; H346-D348 IonicContact CE1-OD2 2.91Å; H346-D348 PolarHBondContact CE1-OD2 2.83Å; H346-D348 PolarHBondContact ND1-N 3.12Å; H346-D348 IonicContact ND1-OD2 3.62Å; H346-D348 PolarHBondContact O-N 3.39Å; D348-F350 PolarHBondContact O-N 2.86Å; D348-L424 WeakPolarHBondContact OD1-CA 3.46Å; D348-R425 HydrophobicContact CB-CG 4.14Å; D348-R425 VanDerWaalsContact O-CD 3.29Å; D348-R425 WeakPolarHBondContact O-CD 3.42Å; D348-R425 PolarHBondContact O-NH1 3.39Å; D348-R425 PolarHBondContact OD1-N 2.94Å
349	Q	97.9	Very high	98.1	Very high	90 Å²	90	35.2 Å²	35.2	42%	0.421	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-73.1	-9.1	165.7	-64.6	173.6	-54.7	0	0	111.8	I332 H346 V347	I332-Q349 HydrophobicContact CD1-CG 3.88Å; H346-Q349 HydrophobicContact CB-CG 4.21Å; H346-Q349 WeakPolarHBondContact O-CB 3.49Å; H346-Q349 PolarHBondContact O-N 2.84Å; H346-Q349 PolarHBondContact O-OE1 3.21Å; V347-Q349 VanDerWaalsContact C-N 3.29Å; V347-Q349 PolarHBondContact O-N 2.96Å
350	F	97.9	Very high	98.1	Very high	35 Å²	35	35.1 Å²	35.1	15%	0.154	17%	0.168	C	C	.	.	S	Bend	trans	-126.1	147.3	-175.8	-55.8	-89	0	0	0	111.5	I345 V347 D348 S352 K355 L356 Y359	I345-F350 HydrophobicContact CG2-CD2 4.48Å; I345-F350 HydrophobicContact CG2-CE2 3.48Å; I345-F350 VanDerWaalsContact CG2-CE2 3.48Å; I345-F350 HydrophobicContact CG2-CZ 4.09Å; V347-F350 PolarHBondContact O-N 3.25Å; D348-F350 PolarHBondContact O-N 2.86Å; F350-S352 VanDerWaalsContact C-N 3.29Å; F350-S352 PolarHBondContact O-N 2.63Å; F350-K355 HydrophobicContact CB-CB 4.29Å; F350-K355 HydrophobicContact CD1-CB 4.42Å; F350-L356 HydrophobicContact CB-CB 4.12Å; F350-L356 HydrophobicContact CD1-CB 4.37Å; F350-L356 HydrophobicContact CD2-CB 4.05Å; F350-L356 HydrophobicContact CD2-CD1 3.65Å; F350-L356 HydrophobicContact CD2-CG 4.38Å; F350-L356 HydrophobicContact CE2-CD1 3.55Å; F350-L356 HydrophobicContact CG-CB 3.89Å; F350-L356 HydrophobicContact CG-CD1 4.26Å; F350-L356 HydrophobicContact CZ-CD1 4.04Å; F350-Y359 VanDerWaalsContact CE1-CB 3.45Å; F350-Y359 AromaticContact CE1-CD1 3.84Å; F350-Y359 HydrophobicContact CE1-CD1 3.84Å; F350-Y359 HydrophobicContact CE1-CD2 4.49Å; F350-Y359 AromaticContact CE1-CG 3.68Å; F350-Y359 HydrophobicContact CE1-CG 3.68Å; F350-Y359 HydrophobicContact CE2-CD1 4.49Å; F350-Y359 AromaticContact CZ-CD1 3.4Å; F350-Y359 HydrophobicContact CZ-CD1 3.4Å; F350-Y359 VanDerWaalsContact CZ-CD1 3.4Å; F350-Y359 HydrophobicContact CZ-CE1 4.08Å; F350-Y359 AromaticContact CZ-CG 3.77Å; F350-Y359 HydrophobicContact CZ-CG 3.77Å
351	E	95.4	Very high	98.2	Very high	157 Å²	157	38.4 Å²	38.4	73%	0.734	18%	0.182	S	C	*	.	S	Bend	trans	-68.6	-28.5	178.5	-63.7	172.4	177.7	0	0	112.8	K355	E351-K355 HydrophobicContact CB-CG 4.48Å
352	S	96.7	Very high	98.3	Very high	33 Å²	33	43.5 Å²	43.5	23%	0.231	20%	0.201	C	C	.	.	S	Bend	trans	-157.8	162.3	-176.5	69.9	0	0	0	0	112.3	F350 A354 K355 L356	F350-S352 VanDerWaalsContact C-N 3.29Å; F350-S352 PolarHBondContact O-N 2.63Å; S352-A354 PolarHBondContact O-N 2.65Å; S352-A354 PolarHBondContact OG-N 3.34Å; S352-K355 PolarHBondContact O-N 3.06Å; S352-K355 VanDerWaalsContact O-N 3.1Å; S352-K355 PolarHBondContact OG-N 3.05Å; S352-L356 PolarHBondContact O-N 3.41Å
353	P	98.5	Very high	98.3	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.013	19%	0.185	C	C	.	.	H	α-helix	trans	-55.3	-31.6	171	-25.9	33.4	0	0	0	113.5	Y253 E256 L257 L356 A357 W426	Y253-P353 HydrophobicContact CD1-CB 4.45Å; Y253-P353 HydrophobicContact CD1-CG 4.13Å; Y253-P353 HydrophobicContact CD2-CG 4.18Å; Y253-P353 HydrophobicContact CE1-CB 4Å; Y253-P353 HydrophobicContact CE1-CG 3.85Å; Y253-P353 HydrophobicContact CE2-CG 3.92Å; Y253-P353 HydrophobicContact CG-CG 4.27Å; E256-P353 HydrophobicContact CB-CB 4.33Å; E256-P353 HydrophobicContact CB-CG 4.1Å; E256-P353 HydrophobicContact CG-CB 4.03Å; E256-P353 HydrophobicContact CG-CG 3.82Å; L257-P353 HydrophobicContact CB-CB 4.12Å; L257-P353 HydrophobicContact CD1-CB 4.33Å; L257-P353 VanDerWaalsContact CD1-O 3.26Å; L257-P353 WeakPolarHBondContact CD1-O 3.03Å; P353-L356 PolarHBondContact O-N 3.24Å; P353-A357 WeakPolarHBondContact O-CB 3.09Å; P353-A357 PolarHBondContact O-N 2.88Å; P353-W426 HydrophobicContact CG-CD2 4.23Å; P353-W426 HydrophobicContact CG-CG 4.49Å; P353-W426 HydrophobicContact CG-CZ2 4.1Å
354	A	98.5	Very high	98.3	Very high	24 Å²	24	40.7 Å²	40.7	20%	0.198	19%	0.192	C	C	.	.	H	α-helix	trans	-65.9	-44.4	175.7	0	0	0	0	0	111.9	Y260 S352 A357 D358	Y260-A354 HydrophobicContact CD1-CB 3.96Å; Y260-A354 HydrophobicContact CD2-CB 3.88Å; Y260-A354 HydrophobicContact CE1-CB 3.86Å; Y260-A354 HydrophobicContact CE2-CB 3.79Å; Y260-A354 HydrophobicContact CG-CB 3.98Å; S352-A354 PolarHBondContact O-N 2.65Å; S352-A354 PolarHBondContact OG-N 3.34Å; A354-A357 WeakPolarHBondContact O-CB 3.19Å; A354-A357 PolarHBondContact O-N 2.66Å; A354-D358 PolarHBondContact O-N 3.02Å
355	K	98.5	Very high	98.3	Very high	108 Å²	108	48.4 Å²	48.4	47%	0.47	23%	0.226	S	C	.	.	H	α-helix	trans	-66.5	-37.7	176.3	-69.1	-60.9	-174.3	-176.3	0	112.4	F350 E351 S352 D358 Y359	F350-K355 HydrophobicContact CB-CB 4.29Å; F350-K355 HydrophobicContact CD1-CB 4.42Å; E351-K355 HydrophobicContact CB-CG 4.48Å; S352-K355 PolarHBondContact O-N 3.06Å; S352-K355 VanDerWaalsContact O-N 3.1Å; S352-K355 PolarHBondContact OG-N 3.05Å; K355-D358 PolarHBondContact O-N 2.71Å; K355-Y359 PolarHBondContact O-N 3.38Å
356	L	98.8	Very high	98.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-48.5	169.7	173.7	61.8	0	0	0	110.5	Y253 L257 I326 I345 V347 F350 S352 P353 D358 Y359 L360	Y253-L356 HydrophobicContact CE1-CD2 3.94Å; L257-L356 HydrophobicContact CD1-CD2 4.19Å; L257-L356 HydrophobicContact CD1-CG 4.3Å; L257-L356 HydrophobicContact CD2-CD2 4.35Å; I326-L356 HydrophobicContact CG2-CD2 3.91Å; I345-L356 HydrophobicContact CG2-CD1 3.75Å; V347-L356 HydrophobicContact CG1-CD2 4.24Å; F350-L356 HydrophobicContact CB-CB 4.12Å; F350-L356 HydrophobicContact CD1-CB 4.37Å; F350-L356 HydrophobicContact CD2-CB 4.05Å; F350-L356 HydrophobicContact CD2-CD1 3.65Å; F350-L356 HydrophobicContact CD2-CG 4.38Å; F350-L356 HydrophobicContact CE2-CD1 3.55Å; F350-L356 HydrophobicContact CG-CB 3.89Å; F350-L356 HydrophobicContact CG-CD1 4.26Å; F350-L356 HydrophobicContact CZ-CD1 4.04Å; S352-L356 PolarHBondContact O-N 3.41Å; P353-L356 PolarHBondContact O-N 3.24Å; L356-D358 VanDerWaalsContact C-N 3.32Å; L356-D358 PolarHBondContact O-N 3.08Å; L356-Y359 WeakPolarHBondContact O-CB 3.4Å; L356-Y359 PolarHBondContact O-N 3.43Å; L356-Y359 VanDerWaalsContact O-N 3.12Å; L356-L360 HydrophobicContact CD1-CD1 4.13Å; L356-L360 HydrophobicContact CD1-CD2 4.2Å; L356-L360 HydrophobicContact CD1-CG 3.97Å; L356-L360 HydrophobicContact CG-CD1 3.95Å; L356-L360 HydrophobicContact CG-CG 4.22Å; L356-L360 VanDerWaalsContact O-CG 3.29Å; L356-L360 WeakPolarHBondContact O-CG 3.44Å; L356-L360 PolarHBondContact O-N 2.94Å
357	A	98.9	Very high	98.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-38.8	178.9	0	0	0	0	0	113.5	L257 Y260 I261 P353 A354 Y359 L360 K361	L257-A357 HydrophobicContact CD1-CB 3.93Å; Y260-A357 HydrophobicContact CG-CB 4.42Å; I261-A357 HydrophobicContact CB-CB 4.02Å; I261-A357 HydrophobicContact CG2-CB 4.06Å; P353-A357 WeakPolarHBondContact O-CB 3.09Å; P353-A357 PolarHBondContact O-N 2.88Å; A354-A357 WeakPolarHBondContact O-CB 3.19Å; A354-A357 PolarHBondContact O-N 2.66Å; A357-Y359 VanDerWaalsContact C-N 3.34Å; A357-L360 PolarHBondContact O-N 2.96Å; A357-K361 VanDerWaalsContact O-CG 3.31Å; A357-K361 WeakPolarHBondContact O-CG 3.22Å; A357-K361 PolarHBondContact O-N 2.95Å
358	D	98.9	Very high	98.2	Very high	83 Å²	83	57.9 Å²	57.9	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-61	-43.9	174.9	-71.4	-21.4	0	0	0	111.4	A354 K355 L356 K361 Y362	A354-D358 PolarHBondContact O-N 3.02Å; K355-D358 PolarHBondContact O-N 2.71Å; L356-D358 VanDerWaalsContact C-N 3.32Å; L356-D358 PolarHBondContact O-N 3.08Å; D358-K361 PolarHBondContact O-N 3.45Å; D358-Y362 PolarHBondContact O-N 3.21Å
359	Y	98.9	Very high	98.3	Very high	69 Å²	69	57.2 Å²	57.2	27%	0.271	28%	0.277	S	S	.	.	H	α-helix	trans	-66.1	-41.7	176.3	-174.8	-112.3	0	0	0	112.5	I345 F350 K355 L356 A357 K361 Y362 L363 Y373	I345-Y359 HydrophobicContact CD1-CD1 4.23Å; I345-Y359 HydrophobicContact CD1-CE1 3.96Å; F350-Y359 VanDerWaalsContact CE1-CB 3.45Å; F350-Y359 AromaticContact CE1-CD1 3.84Å; F350-Y359 HydrophobicContact CE1-CD1 3.84Å; F350-Y359 HydrophobicContact CE1-CD2 4.49Å; F350-Y359 AromaticContact CE1-CG 3.68Å; F350-Y359 HydrophobicContact CE1-CG 3.68Å; F350-Y359 HydrophobicContact CE2-CD1 4.49Å; F350-Y359 AromaticContact CZ-CD1 3.4Å; F350-Y359 HydrophobicContact CZ-CD1 3.4Å; F350-Y359 VanDerWaalsContact CZ-CD1 3.4Å; F350-Y359 HydrophobicContact CZ-CE1 4.08Å; F350-Y359 AromaticContact CZ-CG 3.77Å; F350-Y359 HydrophobicContact CZ-CG 3.77Å; K355-Y359 PolarHBondContact O-N 3.38Å; L356-Y359 WeakPolarHBondContact O-CB 3.4Å; L356-Y359 PolarHBondContact O-N 3.43Å; L356-Y359 VanDerWaalsContact O-N 3.12Å; A357-Y359 VanDerWaalsContact C-N 3.34Å; Y359-K361 VanDerWaalsContact C-N 3.32Å; Y359-K361 PolarHBondContact O-N 3.18Å; Y359-Y362 HydrophobicContact CD2-CD1 4.02Å; Y359-Y362 AromaticContact CE2-CD1 3.86Å; Y359-Y362 HydrophobicContact CE2-CD1 3.86Å; Y359-Y362 HydrophobicContact CE2-CE1 4.15Å; Y359-Y362 WeakPolarHBondContact O-CB 3.2Å; Y359-Y362 PolarHBondContact O-N 2.9Å; Y359-Y362 VanDerWaalsContact O-N 3.14Å; Y359-L363 HydrophobicContact CD1-CD1 4.02Å; Y359-L363 HydrophobicContact CD1-CG 4.39Å; Y359-L363 HydrophobicContact CE1-CD1 3.52Å; Y359-L363 HydrophobicContact CE1-CD2 4.44Å; Y359-L363 HydrophobicContact CE1-CG 4.01Å; Y359-L363 HydrophobicContact CE2-CD2 4.47Å; Y359-L363 HydrophobicContact CE2-CG 4.48Å; Y359-L363 PolarHBondContact O-N 3.26Å; Y359-Y373 WeakPolarHBondContact CE1-OH 3.22Å; Y359-Y373 PolarHBondContact OH-OH 3.2Å
360	L	98.9	Very high	98.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-37.6	175.5	-64.1	176.8	0	0	0	111.9	V237 I261 F297 I326 I345 L356 A357 Y362 L363 D364	V237-L360 HydrophobicContact CG2-CD1 4.31Å; I261-L360 HydrophobicContact CD1-CB 3.47Å; I261-L360 VanDerWaalsContact CD1-CB 3.47Å; I261-L360 HydrophobicContact CD1-CD1 4.1Å; I261-L360 HydrophobicContact CD1-CG 4.46Å; F297-L360 HydrophobicContact CD1-CD2 3.71Å; F297-L360 HydrophobicContact CD2-CB 4.44Å; F297-L360 HydrophobicContact CD2-CD2 4.32Å; F297-L360 HydrophobicContact CE1-CD2 3.73Å; F297-L360 HydrophobicContact CE2-CB 4.05Å; F297-L360 HydrophobicContact CE2-CD2 4.35Å; F297-L360 HydrophobicContact CG-CD2 4.03Å; F297-L360 HydrophobicContact CZ-CB 4.19Å; F297-L360 HydrophobicContact CZ-CD2 4.08Å; F297-L360 WeakPolarHBondContact CZ-O 3.43Å; I326-L360 HydrophobicContact CD1-CD1 3.47Å; I326-L360 VanDerWaalsContact CD1-CD1 3.47Å; I326-L360 HydrophobicContact CD1-CD2 3.79Å; I326-L360 HydrophobicContact CD1-CG 4.27Å; I326-L360 HydrophobicContact CG1-CD2 4.2Å; I345-L360 HydrophobicContact CD1-CD2 3.72Å; L356-L360 HydrophobicContact CD1-CD1 4.13Å; L356-L360 HydrophobicContact CD1-CD2 4.2Å; L356-L360 HydrophobicContact CD1-CG 3.97Å; L356-L360 HydrophobicContact CG-CD1 3.95Å; L356-L360 HydrophobicContact CG-CG 4.22Å; L356-L360 VanDerWaalsContact O-CG 3.29Å; L356-L360 WeakPolarHBondContact O-CG 3.44Å; L356-L360 PolarHBondContact O-N 2.94Å; A357-L360 PolarHBondContact O-N 2.96Å; L360-Y362 VanDerWaalsContact C-N 3.34Å; L360-L363 PolarHBondContact O-N 2.99Å; L360-D364 VanDerWaalsContact O-CB 3.24Å; L360-D364 WeakPolarHBondContact O-CB 3.05Å; L360-D364 PolarHBondContact O-N 2.03Å
361	K	98.9	Very high	98.4	Very high	70 Å²	70	51.8 Å²	51.8	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-66.8	-34.2	173.1	-73.9	169.2	-173.9	164.4	0	112.7	Y260 I261 A357 D358 Y359 K365	Y260-K361 WeakPolarHBondContact O-CE 3.49Å; Y260-K361 PolarHBondContact O-NZ 3.32Å; I261-K361 HydrophobicContact CD1-CG 4.35Å; A357-K361 VanDerWaalsContact O-CG 3.31Å; A357-K361 WeakPolarHBondContact O-CG 3.22Å; A357-K361 PolarHBondContact O-N 2.95Å; D358-K361 PolarHBondContact O-N 3.45Å; Y359-K361 VanDerWaalsContact C-N 3.32Å; Y359-K361 PolarHBondContact O-N 3.18Å; K361-K365 WeakPolarHBondContact O-CG 3.02Å; K361-K365 PolarHBondContact O-N 3.5Å
362	Y	98.8	Very high	98.5	Very high	113 Å²	113	49.4 Å²	49.4	44%	0.443	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-51.3	172	159.2	-102.4	0	0	0	110.5	D358 Y359 L360 D364 K365 N366 A369	D358-Y362 PolarHBondContact O-N 3.21Å; Y359-Y362 HydrophobicContact CD2-CD1 4.02Å; Y359-Y362 AromaticContact CE2-CD1 3.86Å; Y359-Y362 HydrophobicContact CE2-CD1 3.86Å; Y359-Y362 HydrophobicContact CE2-CE1 4.15Å; Y359-Y362 WeakPolarHBondContact O-CB 3.2Å; Y359-Y362 PolarHBondContact O-N 2.9Å; Y359-Y362 VanDerWaalsContact O-N 3.14Å; L360-Y362 VanDerWaalsContact C-N 3.34Å; Y362-D364 VanDerWaalsContact C-N 3.3Å; Y362-D364 PolarHBondContact O-N 3.15Å; Y362-K365 PolarHBondContact O-N 3.04Å; Y362-K365 VanDerWaalsContact O-N 3.08Å; Y362-N366 HydrophobicContact CD2-CB 4.48Å; Y362-N366 HydrophobicContact CE2-CB 4.09Å; Y362-N366 WeakPolarHBondContact CE2-ND2 3.47Å; Y362-N366 WeakPolarHBondContact O-CB 3.38Å; Y362-N366 PolarHBondContact O-N 3.31Å; Y362-N366 PolarHBondContact OH-ND2 3.19Å; Y362-N366 VanDerWaalsContact OH-ND2 3.09Å; Y362-A369 HydrophobicContact CE1-CB 3.76Å; Y362-A369 WeakPolarHBondContact OH-CB 3.19Å
363	L	98.8	Very high	98.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-38.2	177	-66.7	-177.6	0	0	0	112.1	F297 L324 I345 Y359 L360 K365 N366 A369 Y370 Y373	F297-L363 HydrophobicContact CE1-CB 4.1Å; F297-L363 HydrophobicContact CE1-CD1 4.1Å; F297-L363 HydrophobicContact CZ-CB 3.88Å; L324-L363 HydrophobicContact CD2-CD1 4.07Å; I345-L363 HydrophobicContact CD1-CD1 3.67Å; Y359-L363 HydrophobicContact CD1-CD1 4.02Å; Y359-L363 HydrophobicContact CD1-CG 4.39Å; Y359-L363 HydrophobicContact CE1-CD1 3.52Å; Y359-L363 HydrophobicContact CE1-CD2 4.44Å; Y359-L363 HydrophobicContact CE1-CG 4.01Å; Y359-L363 HydrophobicContact CE2-CD2 4.47Å; Y359-L363 HydrophobicContact CE2-CG 4.48Å; Y359-L363 PolarHBondContact O-N 3.26Å; L360-L363 PolarHBondContact O-N 2.99Å; L363-K365 PolarHBondContact O-N 2.98Å; L363-N366 CarbonylContact O-C 3.35Å; L363-N366 PolarHBondContact O-N 3.41Å; L363-A369 HydrophobicContact CD2-CB 3.82Å; L363-Y370 HydrophobicContact CB-CD2 4.41Å; L363-Y373 HydrophobicContact CD1-CD2 4.33Å; L363-Y373 HydrophobicContact CD1-CE2 3.75Å; L363-Y373 HydrophobicContact CD2-CE2 4.1Å
364	D	98.6	Very high	98.6	Very high	32 Å²	32	49.4 Å²	49.4	17%	0.171	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-26.1	176.2	-174.9	37.5	0	0	0	112.8	Q236 K296 F297 L360 Y362	Q236-D364 PolarHBondContact NE2-OD2 3.44Å; K296-D364 HydrophobicContact CD-CB 4.48Å; K296-D364 VanDerWaalsContact CD-OD1 3.23Å; K296-D364 WeakPolarHBondContact CD-OD1 3.45Å; K296-D364 VanDerWaalsContact CE-OD1 3.27Å; K296-D364 WeakPolarHBondContact CE-OD1 3.46Å; K296-D364 PolarHBondContact NZ-O 2.85Å; K296-D364 IonicContact NZ-OD1 3.99Å; K296-D364 PolarHBondContact NZ-OD1 3.27Å; F297-D364 HydrophobicContact CE2-CB 4.31Å; F297-D364 HydrophobicContact CZ-CB 4.49Å; L360-D364 VanDerWaalsContact O-CB 3.24Å; L360-D364 WeakPolarHBondContact O-CB 3.05Å; L360-D364 PolarHBondContact O-N 2.03Å; Y362-D364 VanDerWaalsContact C-N 3.3Å; Y362-D364 PolarHBondContact O-N 3.15Å
365	K	98.2	Very high	98.6	Very high	178 Å²	178	48.8 Å²	48.8	77%	0.774	23%	0.232	S	C	*	.	H	α-helix	trans	-102.3	-6.2	179	-66.8	175.5	-178.5	-179.9	0	113.8	K361 Y362 L363	K361-K365 WeakPolarHBondContact O-CG 3.02Å; K361-K365 PolarHBondContact O-N 3.5Å; Y362-K365 PolarHBondContact O-N 3.04Å; Y362-K365 VanDerWaalsContact O-N 3.08Å; L363-K365 PolarHBondContact O-N 2.98Å
366	N	98.6	Very high	98.5	Very high	51 Å²	51	44 Å²	44	27%	0.273	21%	0.211	S	C	.	.			trans	-127.8	88.9	-176.5	-173.8	-16.1	0	0	0	109.9	Y362 L363 T368 A369 Y370	Y362-N366 HydrophobicContact CD2-CB 4.48Å; Y362-N366 HydrophobicContact CE2-CB 4.09Å; Y362-N366 WeakPolarHBondContact CE2-ND2 3.47Å; Y362-N366 WeakPolarHBondContact O-CB 3.38Å; Y362-N366 PolarHBondContact O-N 3.31Å; Y362-N366 PolarHBondContact OH-ND2 3.19Å; Y362-N366 VanDerWaalsContact OH-ND2 3.09Å; L363-N366 CarbonylContact O-C 3.35Å; L363-N366 PolarHBondContact O-N 3.41Å; N366-T368 PolarHBondContact O-N 3.41Å; N366-T368 PolarHBondContact OD1-N 2.89Å; N366-A369 HydrophobicContact CB-CB 4.09Å; N366-A369 PolarHBondContact O-N 2.82Å; N366-A369 PolarHBondContact OD1-N 2.93Å; N366-A369 VanDerWaalsContact OD1-N 3.11Å; N366-Y370 PolarHBondContact O-N 2.71Å
367	D	98	Very high	98.4	Very high	61 Å²	61	45.9 Å²	45.9	33%	0.326	22%	0.219	S	C	.	.	H	α-helix	trans	-56.5	-38.4	179.8	-76	13.1	0	0	0	112	N228 A230 Y370 N371	N228-D367 PolarHBondContact ND2-OD2 3.06Å; A230-D367 HydrophobicContact CB-CB 4.31Å; A230-D367 WeakPolarHBondContact CB-OD1 3.49Å; D367-Y370 PolarHBondContact O-N 3.25Å; D367-N371 WeakPolarHBondContact O-CB 3.19Å; D367-N371 PolarHBondContact O-N 3.29Å; D367-N371 PolarHBondContact O-ND2 2.86Å
368	T	98	Very high	98.2	Very high	88 Å²	88	48.8 Å²	48.8	54%	0.54	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-50.9	178.3	-55.9	0	0	0	0	111	L224 N366 Y370 N371 E372	L224-T368 HydrophobicContact CD1-CG2 4.27Å; N366-T368 PolarHBondContact O-N 3.41Å; N366-T368 PolarHBondContact OD1-N 2.89Å; T368-Y370 VanDerWaalsContact C-N 3.33Å; T368-Y370 PolarHBondContact O-N 2.64Å; T368-N371 PolarHBondContact O-N 2.87Å; T368-E372 PolarHBondContact O-N 3.26Å
369	A	98.6	Very high	98.1	Very high	7 Å²	7	48 Å²	48	6%	0.058	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-35.8	178.7	0	0	0	0	0	112.3	Y362 L363 N366 E372	Y362-A369 HydrophobicContact CE1-CB 3.76Å; Y362-A369 WeakPolarHBondContact OH-CB 3.19Å; L363-A369 HydrophobicContact CD2-CB 3.82Å; N366-A369 HydrophobicContact CB-CB 4.09Å; N366-A369 PolarHBondContact O-N 2.82Å; N366-A369 PolarHBondContact OD1-N 2.93Å; N366-A369 VanDerWaalsContact OD1-N 3.11Å; A369-E372 PolarHBondContact O-N 3.48Å
370	Y	98.8	Very high	97.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-42.9	173.7	179.9	-95.2	0	0	0	111.9	A230 K296 F297 L324 L363 N366 D367 T368 E372 Y373 F374	A230-Y370 HydrophobicContact CB-CD1 3.64Å; A230-Y370 HydrophobicContact CB-CE1 4Å; A230-Y370 HydrophobicContact CB-CG 4.34Å; K296-Y370 WeakPolarHBondContact CA-OH 3.41Å; K296-Y370 HydrophobicContact CB-CE2 3.73Å; K296-Y370 HydrophobicContact CD-CE2 4.44Å; K296-Y370 HydrophobicContact CG-CE2 4.27Å; K296-Y370 WeakPolarHBondContact O-CE2 3.42Å; K296-Y370 PolarHBondContact O-OH 2.73Å; F297-Y370 HydrophobicContact CD1-CE2 4.22Å; F297-Y370 AromaticContact CE1-CD2 3.94Å; F297-Y370 HydrophobicContact CE1-CD2 3.94Å; F297-Y370 AromaticContact CE1-CE2 3.77Å; F297-Y370 HydrophobicContact CE1-CE2 3.77Å; F297-Y370 HydrophobicContact CZ-CD2 4.32Å; F297-Y370 HydrophobicContact CZ-CE2 4.32Å; L324-Y370 HydrophobicContact CB-CE2 3.95Å; L324-Y370 HydrophobicContact CD2-CD2 4.24Å; L324-Y370 HydrophobicContact CD2-CE2 4.1Å; L363-Y370 HydrophobicContact CB-CD2 4.41Å; N366-Y370 PolarHBondContact O-N 2.71Å; D367-Y370 PolarHBondContact O-N 3.25Å; T368-Y370 VanDerWaalsContact C-N 3.33Å; T368-Y370 PolarHBondContact O-N 2.64Å; Y370-E372 VanDerWaalsContact C-N 3.28Å; Y370-E372 PolarHBondContact O-N 2.95Å; Y370-Y373 WeakPolarHBondContact O-CB 3.47Å; Y370-Y373 PolarHBondContact O-N 2.94Å; Y370-F374 HydrophobicContact CD1-CD2 4.26Å; Y370-F374 AromaticContact CD1-CE2 3.87Å; Y370-F374 HydrophobicContact CD1-CE2 3.87Å; Y370-F374 AromaticContact CE1-CD2 4Å; Y370-F374 HydrophobicContact CE1-CD2 4Å; Y370-F374 AromaticContact CE1-CE2 3.28Å; Y370-F374 HydrophobicContact CE1-CE2 3.28Å; Y370-F374 AromaticContact CE1-CZ 3.92Å; Y370-F374 HydrophobicContact CE1-CZ 3.92Å; Y370-F374 HydrophobicContact CE2-CE2 4.08Å; Y370-F374 AromaticContact CZ-CE2 3.4Å; Y370-F374 AromaticContact CZ-CZ 3.76Å; Y370-F374 WeakPolarHBondContact O-CD2 3.43Å; Y370-F374 WeakPolarHBondContact OH-CZ 3.47Å
371	N	98.5	Very high	97.8	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.064	26%	0.255	C	S	.	.	H	α-helix	trans	-71.7	-17.4	-177.8	-80.1	-78.3	0	0	0	114.1	P225 R227 N228 Y229 D367 T368 Y373 F374 A375	P225-N371 HydrophobicContact CG-CB 4.4Å; R227-N371 PolarHBondContact O-OD1 3.24Å; N228-N371 WeakPolarHBondContact CA-OD1 3.35Å; N228-N371 PolarHBondContact OD1-ND2 3.17Å; Y229-N371 WeakPolarHBondContact CB-OD1 3.42Å; Y229-N371 PolarHBondContact N-OD1 3.41Å; D367-N371 WeakPolarHBondContact O-CB 3.19Å; D367-N371 PolarHBondContact O-N 3.29Å; D367-N371 PolarHBondContact O-ND2 2.86Å; T368-N371 PolarHBondContact O-N 2.87Å; N371-Y373 PolarHBondContact O-N 3.23Å; N371-F374 PolarHBondContact O-N 3.28Å; N371-A375 PolarHBondContact O-N 3.08Å
372	E	98.2	Very high	97.7	Very high	106 Å²	106	46.5 Å²	46.5	50%	0.495	24%	0.244	S	C	.	.	H	α-helix	trans	-56.3	-34.8	169.5	-71.7	178.3	-176.2	0	0	111.6	L224 T368 A369 Y370 F374 A375	L224-E372 HydrophobicContact CD2-CB 4.29Å; L224-E372 HydrophobicContact CD2-CG 3.67Å; T368-E372 PolarHBondContact O-N 3.26Å; A369-E372 PolarHBondContact O-N 3.48Å; Y370-E372 VanDerWaalsContact C-N 3.28Å; Y370-E372 PolarHBondContact O-N 2.95Å; E372-F374 PolarHBondContact O-N 3.08Å; E372-A375 WeakPolarHBondContact O-CB 3.26Å; E372-A375 PolarHBondContact O-N 3.44Å
373	Y	98.6	Very high	97.5	Very high	31 Å²	31	42.5 Å²	42.5	12%	0.122	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.1	176.9	-73.4	-86.5	0	0	0	114.6	L324 Y342 F344 I345 Y359 L363 Y370 N371 W376	L324-Y373 HydrophobicContact CD1-CD1 3.52Å; L324-Y373 HydrophobicContact CD1-CE1 4.26Å; L324-Y373 HydrophobicContact CD1-CG 3.72Å; L324-Y373 HydrophobicContact CD2-CD1 4.01Å; L324-Y373 HydrophobicContact CD2-CD2 3.63Å; L324-Y373 HydrophobicContact CD2-CE1 4.48Å; L324-Y373 HydrophobicContact CD2-CE2 4.12Å; L324-Y373 HydrophobicContact CD2-CG 3.56Å; L324-Y373 HydrophobicContact CG-CD1 4.43Å; L324-Y373 HydrophobicContact CG-CG 4.31Å; Y342-Y373 VanDerWaalsContact O-CA 3.26Å; Y342-Y373 WeakPolarHBondContact O-CA 3.29Å; Y342-Y373 WeakPolarHBondContact O-CD1 3.17Å; F344-Y373 WeakPolarHBondContact O-CE1 3.48Å; I345-Y373 HydrophobicContact CG1-CE1 3.77Å; Y359-Y373 WeakPolarHBondContact CE1-OH 3.22Å; Y359-Y373 PolarHBondContact OH-OH 3.2Å; L363-Y373 HydrophobicContact CD1-CD2 4.33Å; L363-Y373 HydrophobicContact CD1-CE2 3.75Å; L363-Y373 HydrophobicContact CD2-CE2 4.1Å; Y370-Y373 WeakPolarHBondContact O-CB 3.47Å; Y370-Y373 PolarHBondContact O-N 2.94Å; N371-Y373 PolarHBondContact O-N 3.23Å; Y373-W376 PolarHBondContact O-NE1 3.08Å; Y373-W376 VanDerWaalsContact O-NE1 3.1Å
374	F	98.4	Very high	97	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.018	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	7.4	-179.4	-64.1	-90.8	0	0	0	112.2	P225 Y229 L324 Y370 N371 E372 W376 H377	P225-F374 HydrophobicContact CG-CB 4.27Å; Y229-F374 HydrophobicContact CD1-CB 4.42Å; Y229-F374 AromaticContact CD1-CD1 3.61Å; Y229-F374 HydrophobicContact CD1-CD1 3.61Å; Y229-F374 HydrophobicContact CD1-CE1 4.07Å; Y229-F374 HydrophobicContact CD1-CG 4.07Å; Y229-F374 HydrophobicContact CD2-CB 3.54Å; Y229-F374 HydrophobicContact CD2-CD1 4.26Å; Y229-F374 AromaticContact CD2-CG 3.91Å; Y229-F374 HydrophobicContact CD2-CG 3.91Å; Y229-F374 HydrophobicContact CE1-CD1 4.07Å; Y229-F374 HydrophobicContact CE2-CB 3.87Å; Y229-F374 HydrophobicContact CG-CB 3.87Å; Y229-F374 AromaticContact CG-CD1 3.72Å; Y229-F374 HydrophobicContact CG-CD1 3.72Å; Y229-F374 HydrophobicContact CG-CD2 4.26Å; Y229-F374 HydrophobicContact CG-CE1 4.33Å; Y229-F374 AromaticContact CG-CG 3.67Å; Y229-F374 HydrophobicContact CG-CG 3.67Å; L324-F374 HydrophobicContact CB-CE2 4.17Å; L324-F374 HydrophobicContact CB-CZ 4.03Å; Y370-F374 HydrophobicContact CD1-CD2 4.26Å; Y370-F374 AromaticContact CD1-CE2 3.87Å; Y370-F374 HydrophobicContact CD1-CE2 3.87Å; Y370-F374 AromaticContact CE1-CD2 4Å; Y370-F374 HydrophobicContact CE1-CD2 4Å; Y370-F374 AromaticContact CE1-CE2 3.28Å; Y370-F374 HydrophobicContact CE1-CE2 3.28Å; Y370-F374 AromaticContact CE1-CZ 3.92Å; Y370-F374 HydrophobicContact CE1-CZ 3.92Å; Y370-F374 HydrophobicContact CE2-CE2 4.08Å; Y370-F374 AromaticContact CZ-CE2 3.4Å; Y370-F374 AromaticContact CZ-CZ 3.76Å; Y370-F374 WeakPolarHBondContact O-CD2 3.43Å; Y370-F374 WeakPolarHBondContact OH-CZ 3.47Å; N371-F374 PolarHBondContact O-N 3.28Å; E372-F374 PolarHBondContact O-N 3.08Å; F374-W376 PolarHBondContact O-N 2.86Å; F374-W376 VanDerWaalsContact O-N 3.15Å; F374-H377 AromaticContact CD1-CD2 3.74Å; F374-H377 AromaticContact CD1-NE2 3.61Å; F374-H377 WeakPolarHBondContact O-CB 3.4Å; F374-H377 PolarHBondContact O-N 3.23Å
375	A	97.9	Very high	96.5	Very high	11 Å²	11	45.5 Å²	45.5	9%	0.091	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.3	177.4	0	0	0	0	0	113.5	Y222 P223 N371 E372 H377 H379	Y222-A375 WeakPolarHBondContact CB-O 3.46Å; P223-A375 WeakPolarHBondContact O-CB 3.2Å; N371-A375 PolarHBondContact O-N 3.08Å; E372-A375 WeakPolarHBondContact O-CB 3.26Å; E372-A375 PolarHBondContact O-N 3.44Å; A375-H377 PolarHBondContact O-N 2.97Å; A375-H379 PolarHBondContact O-CD2 3.22Å; A375-H379 VanDerWaalsContact O-CD2 3.25Å
376	W	97.1	Very high	95.9	Very high	9 Å²	9	40.5 Å²	40.5	3%	0.034	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18	175.4	65.6	-92.1	0	0	0	113.8	Y209 Y222 L319 P340 S343 Y373 F374 G378 H379 I382	Y209-W376 HydrophobicContact CD2-CE3 4.48Å; Y209-W376 AromaticContact CE2-CE3 3.91Å; Y209-W376 HydrophobicContact CE2-CE3 3.91Å; Y209-W376 HydrophobicContact CE2-CZ3 4.48Å; Y222-W376 HydrophobicContact CD2-CB 4.09Å; Y222-W376 HydrophobicContact CE2-CB 4.36Å; L319-W376 HydrophobicContact CB-CZ2 4.42Å; L319-W376 HydrophobicContact CD2-CZ2 4.06Å; P340-W376 HydrophobicContact CB-CB 3.52Å; P340-W376 HydrophobicContact CB-CD2 3.61Å; P340-W376 HydrophobicContact CB-CE3 4.02Å; P340-W376 HydrophobicContact CB-CG 3.37Å; P340-W376 HydrophobicContact CG-CB 4.48Å; P340-W376 HydrophobicContact CG-CD2 3.58Å; P340-W376 HydrophobicContact CG-CE3 3.74Å; P340-W376 HydrophobicContact CG-CG 3.92Å; P340-W376 HydrophobicContact CG-CZ2 4.41Å; P340-W376 HydrophobicContact CG-CZ3 4.23Å; S343-W376 VanDerWaalsContact CB-CD1 3.47Å; Y373-W376 PolarHBondContact O-NE1 3.08Å; Y373-W376 VanDerWaalsContact O-NE1 3.1Å; F374-W376 PolarHBondContact O-N 2.86Å; F374-W376 VanDerWaalsContact O-N 3.15Å; W376-G378 PolarHBondContact O-N 2.93Å; W376-H379 WeakPolarHBondContact O-CB 3.35Å; W376-H379 PolarHBondContact O-N 2.88Å; W376-I382 HydrophobicContact CH2-CD1 4.11Å; W376-I382 HydrophobicContact CH2-CG1 3.65Å; W376-I382 HydrophobicContact CZ3-CD1 4.04Å; W376-I382 HydrophobicContact CZ3-CG1 3.73Å
377	H	97	Very high	95.4	Very high	39 Å²	39	38.9 Å²	38.9	18%	0.181	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	133.7	178.7	-86.2	-89.6	0	0	0	111.4	Y229 D322 F374 A375 H379	Y229-H377 AromaticContact CE1-CD2 3.78Å; Y229-H377 AromaticContact CE1-CE1 3.85Å; Y229-H377 AromaticContact CE1-NE2 3.57Å; Y229-H377 HydrophobicContact CE2-CB 4.48Å; Y229-H377 AromaticContact CZ-CD2 3.56Å; Y229-H377 AromaticContact CZ-CG 3.62Å; Y229-H377 AromaticContact CZ-ND1 3.95Å; Y229-H377 AromaticContact CZ-NE2 3.85Å; Y229-H377 WeakPolarHBondContact OH-CB 3.34Å; Y229-H377 PolarHBondContact OH-CD2 2.79Å; Y229-H377 PolarHBondContact OH-ND1 3.44Å; D322-H377 IonicContact OD1-CE1 3.99Å; D322-H377 PolarHBondContact OD1-CE1 3.17Å; D322-H377 IonicContact OD1-NE2 2.68Å; F374-H377 AromaticContact CD1-CD2 3.74Å; F374-H377 AromaticContact CD1-NE2 3.61Å; F374-H377 WeakPolarHBondContact O-CB 3.4Å; F374-H377 PolarHBondContact O-N 3.23Å; A375-H377 PolarHBondContact O-N 2.97Å; H377-H379 PolarHBondContact O-CD2 3.39Å; H377-H379 PolarHBondContact O-N 3.42Å
378	G	94.3	Very high	95	Very high	60 Å²	60	41.2 Å²	41.2	62%	0.619	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	-9.3	-174.9	0	0	0	0	0	114.2	H212 W376	H212-G378 PolarHBondContact CE1-O 3.2Å; H212-G378 PolarHBondContact ND1-O 3.41Å; H212-G378 VanDerWaalsContact ND1-O 3.1Å; W376-G378 PolarHBondContact O-N 2.93Å
379	H	96.4	Very high	94.8	Very high	67 Å²	67	37.1 Å²	37.1	31%	0.31	20%	0.198	S	C	.	.	S	Bend	trans	-103.8	0	178.5	-63.7	-80.6	0	0	0	114	Y209 H212 Y222 A375 W376 H377	Y209-H379 PolarHBondContact OH-O 3.46Å; Y209-H379 VanDerWaalsContact OH-O 3.1Å; H212-H379 PolarHBondContact N-O 2.8Å; Y222-H379 HydrophobicContact CD1-CB 3.8Å; Y222-H379 AromaticContact CD1-CD2 3.82Å; Y222-H379 AromaticContact CD1-CE1 3.95Å; Y222-H379 AromaticContact CD1-CG 3.42Å; Y222-H379 VanDerWaalsContact CD1-CG 3.42Å; Y222-H379 AromaticContact CD1-ND1 3.52Å; Y222-H379 HydrophobicContact CD2-CB 4.14Å; Y222-H379 HydrophobicContact CE1-CB 3.63Å; Y222-H379 AromaticContact CE1-CG 3.72Å; Y222-H379 AromaticContact CE1-ND1 3.81Å; Y222-H379 HydrophobicContact CE2-CB 3.95Å; Y222-H379 HydrophobicContact CG-CB 4.05Å; Y222-H379 AromaticContact CG-CD2 3.78Å; Y222-H379 AromaticContact CG-CG 3.76Å; A375-H379 PolarHBondContact O-CD2 3.22Å; A375-H379 VanDerWaalsContact O-CD2 3.25Å; W376-H379 WeakPolarHBondContact O-CB 3.35Å; W376-H379 PolarHBondContact O-N 2.88Å; H377-H379 PolarHBondContact O-CD2 3.39Å; H377-H379 PolarHBondContact O-N 3.42Å
380	G	96.3	Very high	94.6	Very high	9 Å²	9	37.3 Å²	37.3	9%	0.093	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.7	-175.7	175.2	0	0	0	0	0	112.5	Y209 E210	Y209-G380 VanDerWaalsContact CE2-CA 3.47Å; Y209-G380 WeakPolarHBondContact OH-CA 3.35Å; Y209-G380 PolarHBondContact OH-N 3.46Å; E210-G380 CarbonylContact O-C 3.56Å; E210-G380 WeakPolarHBondContact O-CA 3.23Å
381	I	96.2	Very high	94.4	Very high	86 Å²	86	38.7 Å²	38.7	44%	0.441	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.3	-175	-61.5	169.1	0	0	0	109.5	Y209 E210	Y209-I381 WeakPolarHBondContact CD2-O 3.22Å; E210-I381 PolarHBondContact N-O 3.36Å; E210-I381 PolarHBondContact O-N 3.15Å
382	I	96.6	Very high	94.2	Very high	13 Å²	13	38.4 Å²	38.4	7%	0.067	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.6	171.3	-57.8	-67.4	0	0	0	109.5	Y209 F315 L319 K320 P340 W376	Y209-I382 HydrophobicContact CD2-CD1 3.89Å; F315-I382 HydrophobicContact CB-CG2 3.94Å; F315-I382 HydrophobicContact CD1-CG2 4.1Å; L319-I382 HydrophobicContact CB-CD1 4.17Å; L319-I382 HydrophobicContact CB-CG1 4.07Å; L319-I382 HydrophobicContact CB-CG2 4.48Å; L319-I382 HydrophobicContact CD1-CD1 3.82Å; K320-I382 HydrophobicContact CD-CB 4.47Å; K320-I382 HydrophobicContact CD-CG2 4.08Å; K320-I382 HydrophobicContact CG-CB 3.83Å; K320-I382 HydrophobicContact CG-CG2 3.66Å; P340-I382 HydrophobicContact CG-CD1 3.54Å; W376-I382 HydrophobicContact CH2-CD1 4.11Å; W376-I382 HydrophobicContact CH2-CG1 3.65Å; W376-I382 HydrophobicContact CZ3-CD1 4.04Å; W376-I382 HydrophobicContact CZ3-CG1 3.73Å
383	H	93.8	Very high	94	Very high	29 Å²	29	33.4 Å²	33.4	13%	0.134	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141.5	168.2	-69.4	-77.6	0	0	0	110.6	G207 Y208 E210 D386	G207-H383 WeakPolarHBondContact CA-O 3.41Å; Y208-H383 HydrophobicContact CD1-CB 3.78Å; Y208-H383 HydrophobicContact CD2-CB 4.25Å; Y208-H383 AromaticContact CD2-CD2 3.9Å; Y208-H383 HydrophobicContact CE1-CB 3.52Å; Y208-H383 AromaticContact CE1-CG 3.88Å; Y208-H383 HydrophobicContact CE2-CB 4.03Å; Y208-H383 AromaticContact CE2-CD2 3.31Å; Y208-H383 WeakPolarHBondContact CE2-CD2 3.5Å; Y208-H383 AromaticContact CE2-CG 3.71Å; Y208-H383 HydrophobicContact CG-CB 4.13Å; Y208-H383 AromaticContact CZ-CD2 3.57Å; Y208-H383 AromaticContact CZ-CG 3.47Å; Y208-H383 VanDerWaalsContact CZ-CG 3.47Å; Y208-H383 PolarHBondContact N-O 3.2Å; Y208-H383 PolarHBondContact O-N 2.85Å; E210-H383 IonicContact OE2-CD2 2.82Å; E210-H383 IonicContact OE2-CE1 3.49Å; E210-H383 IonicContact OE2-NE2 2.73Å; E210-H383 PolarHBondContact OE2-NE2 2.75Å; H383-D386 VanDerWaalsContact CA-OD2 3.27Å; H383-D386 WeakPolarHBondContact CA-OD2 3.18Å; H383-D386 HydrophobicContact CB-CB 4.17Å; H383-D386 WeakPolarHBondContact CB-OD2 2.82Å; H383-D386 IonicContact CE1-OD2 3.82Å; H383-D386 IonicContact CG-OD2 3.73Å; H383-D386 IonicContact ND1-OD2 3.31Å; H383-D386 PolarHBondContact ND1-OD2 3.05Å
384	D	89.6	Confident	93.9	Very high	20 Å²	20	31.9 Å²	31.9	11%	0.107	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	107.8	179.9	165.8	37.1	0	0	0	108.1	Y206 K316 K320 D386	Y206-D384 CarbonylContact O-C 3.6Å; K316-D384 VanDerWaalsContact CB-OD2 3.28Å; K316-D384 WeakPolarHBondContact CB-OD2 3.38Å; K316-D384 VanDerWaalsContact CD-OD2 3.31Å; K316-D384 WeakPolarHBondContact CD-OD2 3.26Å; K316-D384 WeakPolarHBondContact CG-OD2 3.31Å; K320-D384 HydrophobicContact CD-CB 3.6Å; D384-D386 PolarHBondContact N-OD2 2.86Å; D384-D386 PolarHBondContact O-N 3.23Å
385	W	87.3	Confident	93.6	Very high	74 Å²	74	31.9 Å²	31.9	28%	0.28	18%	0.177	S	C	.	.	S	Bend	trans	56.7	27.2	-175.7	-80.5	91.1	0	0	0	115.1	H174 Y206 S387	H174-W385 HydrophobicContact CB-CH2 4.24Å; H174-W385 AromaticContact CE1-CH2 3.71Å; H174-W385 AromaticContact CE1-CZ3 3.43Å; H174-W385 VanDerWaalsContact CE1-CZ3 3.43Å; H174-W385 WeakPolarHBondContact CE1-CZ3 3.36Å; H174-W385 AromaticContact CG-CH2 3.89Å; H174-W385 AromaticContact ND1-CH2 2.92Å; H174-W385 WeakPolarHBondContact ND1-CH2 3.48Å; H174-W385 AromaticContact ND1-CZ2 3.79Å; H174-W385 AromaticContact ND1-CZ3 3.17Å; H174-W385 WeakPolarHBondContact ND1-CZ3 3.11Å; Y206-W385 AromaticContact CD1-CE2 3.53Å; Y206-W385 AromaticContact CD1-CZ2 3.58Å; Y206-W385 HydrophobicContact CD1-CZ2 3.58Å; Y206-W385 AromaticContact CD1-NE1 3.18Å; Y206-W385 AromaticContact CE1-CE2 3.83Å; Y206-W385 HydrophobicContact CE1-CH2 4.47Å; Y206-W385 AromaticContact CE1-CZ2 3.38Å; Y206-W385 HydrophobicContact CE1-CZ2 3.38Å; Y206-W385 AromaticContact CE1-NE1 3.78Å; Y206-W385 HydrophobicContact CG-CZ2 4.28Å; Y206-W385 AromaticContact CG-NE1 3.97Å; Y206-W385 AromaticContact CZ-CZ2 3.92Å; Y206-W385 PolarHBondContact O-N 3.21Å; W385-S387 VanDerWaalsContact C-N 3.32Å
386	D	86.8	Confident	93.4	Very high	74 Å²	74	31.3 Å²	31.3	40%	0.396	17%	0.172	S	C	.	.			trans	-85.2	-2.3	-179.5	-62.5	-39.2	0	0	0	113.7	H383 D384	H383-D386 VanDerWaalsContact CA-OD2 3.27Å; H383-D386 WeakPolarHBondContact CA-OD2 3.18Å; H383-D386 HydrophobicContact CB-CB 4.17Å; H383-D386 WeakPolarHBondContact CB-OD2 2.82Å; H383-D386 IonicContact CE1-OD2 3.82Å; H383-D386 IonicContact CG-OD2 3.73Å; H383-D386 IonicContact ND1-OD2 3.31Å; H383-D386 PolarHBondContact ND1-OD2 3.05Å; D384-D386 PolarHBondContact N-OD2 2.86Å; D384-D386 PolarHBondContact O-N 3.23Å
387	S	87.6	Confident	93.3	Very high	16 Å²	16	31 Å²	31	11%	0.112	17%	0.172	C	C	.	.			trans	-65.6	142.1	177.8	60.4	0	0	0	0	111.3	S204 P205 W385 P389	S204-S387 PolarHBondContact OG-OG 2.76Å; P205-S387 PolarHBondContact O-OG 3.33Å; W385-S387 VanDerWaalsContact C-N 3.32Å; S387-P389 VanDerWaalsContact O-CD 3.28Å; S387-P389 WeakPolarHBondContact O-CD 2.89Å
388	Q	90.1	Very high	93.1	Very high	110 Å²	110	29.6 Å²	29.6	51%	0.514	17%	0.165	S	C	.	.			trans	-121.1	63.3	-176.7	-65.2	178.3	38.7	0	0	111	Q390 C391	Q388-Q390 PolarHBondContact O-N 3.15Å; Q388-C391 PolarHBondContact O-N 3.26Å; Q388-C391 VanDerWaalsContact O-N 3.07Å
389	P	93.3	Very high	93	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-56.6	-27.1	-178.1	25.6	-36.5	0	0	0	112.8	T124 I194 I202 S387 C391 A392 M393	T124-P389 HydrophobicContact CG2-CG 4.24Å; I194-P389 HydrophobicContact CG2-CB 3.68Å; I194-P389 HydrophobicContact CG2-CG 4.41Å; I202-P389 HydrophobicContact CG2-CB 3.81Å; S387-P389 VanDerWaalsContact O-CD 3.28Å; S387-P389 WeakPolarHBondContact O-CD 2.89Å; P389-C391 PolarHBondContact O-N 3.31Å; P389-A392 PolarHBondContact O-N 3.25Å; P389-A392 VanDerWaalsContact O-N 3.14Å; P389-M393 VanDerWaalsContact O-CG 3.24Å; P389-M393 WeakPolarHBondContact O-CG 2.95Å; P389-M393 PolarHBondContact O-N 3.31Å
390	Q	94.7	Very high	92.8	Very high	11 Å²	11	23.6 Å²	23.6	5%	0.051	12%	0.122	C	C	.	.	H	α-helix	trans	-60	-31.2	178.7	75.6	-78.3	4.1	0	0	113.2	M126 D127 F128 Q388 M393 C394	M126-Q390 HydrophobicContact SD-CB 3.71Å; D127-Q390 WeakPolarHBondContact O-CG 3.42Å; D127-Q390 PolarHBondContact O-NE2 3.28Å; F128-Q390 HydrophobicContact CD1-CB 4.04Å; F128-Q390 HydrophobicContact CD1-CG 4.2Å; F128-Q390 WeakPolarHBondContact CD1-O 3.45Å; F128-Q390 HydrophobicContact CE1-CB 3.62Å; F128-Q390 HydrophobicContact CE1-CG 4.27Å; F128-Q390 WeakPolarHBondContact CE1-O 2.87Å; F128-Q390 HydrophobicContact CZ-CB 4.17Å; Q388-Q390 PolarHBondContact O-N 3.15Å; Q390-M393 HydrophobicContact CB-SD 4.5Å; Q390-M393 PolarHBondContact O-N 2.9Å; Q390-C394 WeakPolarHBondContact O-CB 3.14Å; Q390-C394 PolarHBondContact O-N 2.93Å
391	C	94	Very high	92.4	Very high	28 Å²	28	28.9 Å²	28.9	19%	0.189	14%	0.144	C	C	.	.	H	α-helix	trans	-69.6	-41.8	176.2	-64.4	0	0	0	0	111.9	C131 Q388 P389 C394 L395	C131-C391 WeakPolarHBondContact CA-SG 3.21Å; C131-C391 HydrophobicContact CB-CB 3.61Å; C131-C391 WeakPolarHBondContact CB-SG 3.02Å; C131-C391 WeakPolarHBondContact SG-CA 3.48Å; C131-C391 WeakPolarHBondContact SG-CB 3.29Å; C131-C391 CovalentContact SG-SG 2.04Å; C131-C391 PolarHBondContact SG-SG 3.37Å; Q388-C391 PolarHBondContact O-N 3.26Å; Q388-C391 VanDerWaalsContact O-N 3.07Å; P389-C391 PolarHBondContact O-N 3.31Å; C391-C394 PolarHBondContact O-N 3.21Å; C391-L395 WeakPolarHBondContact O-CB 3.37Å; C391-L395 PolarHBondContact O-N 3.38Å
392	A	93.3	Very high	92.1	Very high	7 Å²	7	26.6 Å²	26.6	6%	0.058	14%	0.138	C	C	.	.	H	α-helix	trans	-66.9	-40.4	174.8	0	0	0	0	0	111.8	F91 I202 P389 C394 L395 L396	F91-A392 HydrophobicContact CD1-CB 3.91Å; F91-A392 HydrophobicContact CD2-CB 3.96Å; F91-A392 HydrophobicContact CE1-CB 3.54Å; F91-A392 HydrophobicContact CE2-CB 3.58Å; F91-A392 HydrophobicContact CG-CB 4.11Å; F91-A392 VanDerWaalsContact CZ-CA 3.45Å; F91-A392 HydrophobicContact CZ-CB 3.37Å; I202-A392 HydrophobicContact CB-CB 4.47Å; I202-A392 HydrophobicContact CD1-CB 3.62Å; I202-A392 HydrophobicContact CG1-CB 3.76Å; I202-A392 HydrophobicContact CG2-CB 3.86Å; P389-A392 PolarHBondContact O-N 3.25Å; P389-A392 VanDerWaalsContact O-N 3.14Å; A392-C394 PolarHBondContact O-N 3.43Å; A392-L395 PolarHBondContact O-N 3.16Å; A392-L396 WeakPolarHBondContact O-CB 3.5Å; A392-L396 WeakPolarHBondContact O-CG 3.22Å; A392-L396 PolarHBondContact O-N 3.37Å
393	M	95.1	Very high	91.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-55.9	-52.3	173.3	-69.9	163.2	66.4	0	0	111.2	F114 M126 I152 F170 I194 I202 P389 Q390 L395 L396 A397	F114-M393 HydrophobicContact CD1-CE 3.82Å; F114-M393 HydrophobicContact CE1-CB 3.97Å; F114-M393 HydrophobicContact CE1-CE 3.84Å; F114-M393 HydrophobicContact CZ-CB 3.85Å; F114-M393 WeakPolarHBondContact CZ-O 3.36Å; M126-M393 HydrophobicContact CE-CE 4.04Å; M126-M393 HydrophobicContact CE-SD 4.08Å; M126-M393 HydrophobicContact SD-CE 4.22Å; M126-M393 HydrophobicContact SD-SD 4.38Å; I152-M393 HydrophobicContact CD1-CE 3.38Å; I152-M393 HydrophobicContact CG1-CE 3.65Å; F170-M393 HydrophobicContact CD1-CG 4.09Å; F170-M393 HydrophobicContact CE1-CB 4.34Å; F170-M393 HydrophobicContact CE1-CG 4.12Å; I194-M393 HydrophobicContact CD1-CE 4.35Å; I194-M393 HydrophobicContact CD1-CG 3.43Å; I194-M393 VanDerWaalsContact CD1-CG 3.43Å; I194-M393 HydrophobicContact CD1-SD 3.47Å; I194-M393 WeakPolarHBondContact CD1-SD 3.25Å; I202-M393 HydrophobicContact CD1-CG 3.88Å; P389-M393 VanDerWaalsContact O-CG 3.24Å; P389-M393 WeakPolarHBondContact O-CG 2.95Å; P389-M393 PolarHBondContact O-N 3.31Å; Q390-M393 HydrophobicContact CB-SD 4.5Å; Q390-M393 PolarHBondContact O-N 2.9Å; M393-L395 VanDerWaalsContact C-N 3.35Å; M393-L395 PolarHBondContact O-N 2.88Å; M393-L396 PolarHBondContact O-N 3.06Å; M393-A397 PolarHBondContact O-N 3.11Å
394	C	95.2	Very high	91	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-41.8	-178.1	-168.7	0	0	0	0	111.7	F128 A133 C136 Q390 C391 A392 L396 A397 H398	F128-C394 HydrophobicContact CD1-CB 3.64Å; F128-C394 HydrophobicContact CE1-CB 3.94Å; A133-C394 HydrophobicContact CB-CB 4.4Å; A133-C394 WeakPolarHBondContact O-CB 3.5Å; A133-C394 PolarHBondContact O-SG 3.44Å; C136-C394 HydrophobicContact CB-CB 3.84Å; C136-C394 WeakPolarHBondContact CB-SG 3.36Å; C136-C394 WeakPolarHBondContact SG-CA 3.38Å; C136-C394 WeakPolarHBondContact SG-CB 3.19Å; C136-C394 CovalentContact SG-SG 2.03Å; C136-C394 PolarHBondContact SG-SG 2.99Å; Q390-C394 WeakPolarHBondContact O-CB 3.14Å; Q390-C394 PolarHBondContact O-N 2.93Å; C391-C394 PolarHBondContact O-N 3.21Å; A392-C394 PolarHBondContact O-N 3.43Å; C394-L396 PolarHBondContact O-N 2.81Å; C394-A397 PolarHBondContact O-N 2.85Å; C394-H398 PolarHBondContact O-CD2 3.45Å; C394-H398 VanDerWaalsContact O-CD2 3.26Å; C394-H398 PolarHBondContact O-N 3.09Å; C394-H398 VanDerWaalsContact O-N 3.15Å
395	L	93.2	Very high	90.2	Very high	3 Å²	3	28 Å²	28	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-44.3	176.1	-171.3	64.6	0	0	0	111.9	F91 E95 L98 K99 F102 Y132 A133 C391 A392 M393 H398 T399	F91-L395 HydrophobicContact CE2-CD2 4.16Å; F91-L395 HydrophobicContact CZ-CB 4.44Å; F91-L395 HydrophobicContact CZ-CD2 3.75Å; E95-L395 HydrophobicContact CG-CD2 4.45Å; L98-L395 HydrophobicContact CB-CD2 3.56Å; L98-L395 HydrophobicContact CB-CG 3.97Å; L98-L395 HydrophobicContact CD1-CD2 4.39Å; K99-L395 HydrophobicContact CG-CD2 3.95Å; F102-L395 HydrophobicContact CB-CD1 3.61Å; F102-L395 HydrophobicContact CD1-CD1 4.38Å; F102-L395 HydrophobicContact CD2-CD1 4.21Å; F102-L395 HydrophobicContact CG-CD1 3.81Å; Y132-L395 HydrophobicContact CD1-CD1 4.33Å; A133-L395 HydrophobicContact CB-CB 4.33Å; A133-L395 HydrophobicContact CB-CD1 4.05Å; C391-L395 WeakPolarHBondContact O-CB 3.37Å; C391-L395 PolarHBondContact O-N 3.38Å; A392-L395 PolarHBondContact O-N 3.16Å; M393-L395 VanDerWaalsContact C-N 3.35Å; M393-L395 PolarHBondContact O-N 2.88Å; L395-H398 PolarHBondContact O-N 2.85Å; L395-T399 WeakPolarHBondContact O-CG2 3.4Å; L395-T399 PolarHBondContact O-N 2.86Å; L395-T399 PolarHBondContact O-OG1 2.98Å
396	L	93.4	Very high	90	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.1	-41.1	176	-74.6	170.1	0	0	0	112.2	Y76 F91 L98 F170 F192 T201 I202 A392 M393 C394 H398 T399 S400 F403	Y76-L396 HydrophobicContact CE2-CD2 4.46Å; F91-L396 HydrophobicContact CD2-CD1 4.2Å; F91-L396 HydrophobicContact CD2-CG 4.27Å; F91-L396 HydrophobicContact CE2-CD1 4.41Å; F91-L396 HydrophobicContact CE2-CG 4.1Å; L98-L396 HydrophobicContact CD1-CD2 3.63Å; L98-L396 HydrophobicContact CD1-CG 4.28Å; L98-L396 HydrophobicContact CD2-CD2 4.04Å; F170-L396 HydrophobicContact CE1-CB 4.32Å; F170-L396 HydrophobicContact CE1-CD1 4.02Å; F170-L396 HydrophobicContact CZ-CB 4.07Å; F192-L396 HydrophobicContact CD1-CD1 3.93Å; F192-L396 HydrophobicContact CD2-CD1 4.14Å; F192-L396 HydrophobicContact CE1-CD1 4.05Å; F192-L396 HydrophobicContact CE1-CD2 3.87Å; F192-L396 HydrophobicContact CE2-CB 4.13Å; F192-L396 HydrophobicContact CE2-CD1 4.29Å; F192-L396 HydrophobicContact CE2-CD2 4.43Å; F192-L396 HydrophobicContact CG-CD1 3.94Å; F192-L396 HydrophobicContact CZ-CB 4.33Å; F192-L396 HydrophobicContact CZ-CD1 4.24Å; F192-L396 HydrophobicContact CZ-CD2 3.8Å; F192-L396 HydrophobicContact CZ-CG 4.36Å; T201-L396 HydrophobicContact CG2-CD1 4.43Å; I202-L396 HydrophobicContact CD1-CD1 3.95Å; I202-L396 HydrophobicContact CG1-CD1 4.26Å; A392-L396 WeakPolarHBondContact O-CB 3.5Å; A392-L396 WeakPolarHBondContact O-CG 3.22Å; A392-L396 PolarHBondContact O-N 3.37Å; M393-L396 PolarHBondContact O-N 3.06Å; C394-L396 PolarHBondContact O-N 2.81Å; L396-H398 PolarHBondContact O-N 2.79Å; L396-T399 PolarHBondContact O-N 2.89Å; L396-T399 PolarHBondContact O-OG1 2.61Å; L396-S400 VanDerWaalsContact O-CB 3.29Å; L396-S400 WeakPolarHBondContact O-CB 3.36Å; L396-S400 PolarHBondContact O-N 2.81Å; L396-S400 PolarHBondContact O-OG 2.82Å; L396-F403 HydrophobicContact CD2-CZ 4.23Å
397	A	94.3	Very high	90	Very high	3 Å²	3	25.7 Å²	25.7	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-62.9	-30.8	179.3	0	0	0	0	0	113.3	K112 F114 L168 M393 C394	K112-A397 HydrophobicContact CB-CB 4.19Å; K112-A397 HydrophobicContact CG-CB 4.2Å; F114-A397 HydrophobicContact CE1-CB 4.5Å; F114-A397 HydrophobicContact CE2-CB 3.88Å; F114-A397 HydrophobicContact CZ-CB 3.53Å; L168-A397 HydrophobicContact CD1-CB 4.36Å; M393-A397 PolarHBondContact O-N 3.11Å; C394-A397 PolarHBondContact O-N 2.85Å
398	H	93.6	Very high	90	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-81.3	-24.1	176.8	-83	-75.8	0	0	0	114.4	F102 S110 K135 C394 L395 L396	F102-H398 HydrophobicContact CD2-CB 3.58Å; F102-H398 HydrophobicContact CE2-CB 3.59Å; F102-H398 AromaticContact CE2-CG 3.65Å; S110-H398 PolarHBondContact O-CE1 2.98Å; S110-H398 VanDerWaalsContact O-CE1 3.25Å; K135-H398 PolarHBondContact O-NE2 2.93Å; C394-H398 PolarHBondContact O-CD2 3.45Å; C394-H398 VanDerWaalsContact O-CD2 3.26Å; C394-H398 PolarHBondContact O-N 3.09Å; C394-H398 VanDerWaalsContact O-N 3.15Å; L395-H398 PolarHBondContact O-N 2.85Å; L396-H398 PolarHBondContact O-N 2.79Å
399	T	92.2	Very high	89.9	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-109	-25.6	-171.4	51.6	0	0	0	0	114.2	L98 L101 F102 L105 L395 L396 Q401 A402 F403	L98-T399 WeakPolarHBondContact CD2-OG1 3.31Å; L101-T399 HydrophobicContact CB-CG2 4.32Å; L101-T399 HydrophobicContact CD2-CG2 4.34Å; L101-T399 HydrophobicContact CG-CG2 4.2Å; F102-T399 HydrophobicContact CB-CG2 3.8Å; F102-T399 HydrophobicContact CD2-CG2 4.46Å; L105-T399 HydrophobicContact CD1-CG2 4.35Å; L395-T399 WeakPolarHBondContact O-CG2 3.4Å; L395-T399 PolarHBondContact O-N 2.86Å; L395-T399 PolarHBondContact O-OG1 2.98Å; L396-T399 PolarHBondContact O-N 2.89Å; L396-T399 PolarHBondContact O-OG1 2.61Å; T399-Q401 PolarHBondContact O-N 2.76Å; T399-Q401 VanDerWaalsContact O-N 3.08Å; T399-A402 WeakPolarHBondContact O-CB 3.47Å; T399-A402 PolarHBondContact O-N 3.5Å; T399-F403 VanDerWaalsContact O-CD1 3.26Å; T399-F403 WeakPolarHBondContact O-CD1 3.31Å
400	S	91.5	Very high	89.7	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-26.7	-172.3	-61.3	0	0	0	0	114.3	F192 L396 A402 F403 G404	F192-S400 WeakPolarHBondContact CE2-OG 3.27Å; F192-S400 WeakPolarHBondContact CZ-OG 3.45Å; L396-S400 VanDerWaalsContact O-CB 3.29Å; L396-S400 WeakPolarHBondContact O-CB 3.36Å; L396-S400 PolarHBondContact O-N 2.81Å; L396-S400 PolarHBondContact O-OG 2.82Å; S400-A402 VanDerWaalsContact C-N 3.31Å; S400-A402 PolarHBondContact O-N 2.63Å; S400-F403 VanDerWaalsContact CA-CE1 3.45Å; S400-G404 CarbonylContact O-C 3.57Å; S400-G404 WeakPolarHBondContact O-CA 3.45Å; S400-G404 PolarHBondContact O-N 2.75Å
401	Q	88.9	Confident	89.6	Confident	119 Å²	119	26.7 Å²	26.7	56%	0.556	15%	0.146	S	C	*	.	H	α-helix	trans	-68.9	-31.2	176.7	-67.4	-177.7	-1.7	0	0	112.3	T399	T399-Q401 PolarHBondContact O-N 2.76Å; T399-Q401 VanDerWaalsContact O-N 3.08Å
402	A	90.1	Very high	89.6	Confident	38 Å²	38	25.3 Å²	25.3	31%	0.314	14%	0.137	S	C	.	.	H	α-helix	trans	-76	-34.2	-178.9	0	0	0	0	0	112.5	A69 L101 L105 T399 S400	A69-A402 WeakPolarHBondContact CB-O 3.5Å; L101-A402 HydrophobicContact CD1-CB 4.3Å; L101-A402 HydrophobicContact CD2-CB 4.23Å; L105-A402 HydrophobicContact CD1-CB 3.91Å; L105-A402 HydrophobicContact CD2-CB 4.03Å; T399-A402 WeakPolarHBondContact O-CB 3.47Å; T399-A402 PolarHBondContact O-N 3.5Å; S400-A402 VanDerWaalsContact C-N 3.31Å; S400-A402 PolarHBondContact O-N 2.63Å
403	F	88.5	Confident	89.6	Confident	8 Å²	8	30.5 Å²	30.5	4%	0.035	16%	0.155	C	C	.	.	H	α-helix	trans	-101.1	5.9	176.8	68.7	-98.9	0	0	0	114.6	A69 L72 H73 Y76 L98 L101 F192 L396 T399 S400	A69-F403 HydrophobicContact CB-CB 3.88Å; A69-F403 WeakPolarHBondContact O-CB 3.37Å; L72-F403 HydrophobicContact CB-CB 4.1Å; L72-F403 HydrophobicContact CB-CD1 4.1Å; L72-F403 HydrophobicContact CB-CD2 4.31Å; L72-F403 HydrophobicContact CB-CG 3.95Å; L72-F403 HydrophobicContact CD1-CD1 4.32Å; H73-F403 HydrophobicContact CB-CB 4.27Å; H73-F403 WeakPolarHBondContact CB-O 3.48Å; H73-F403 PolarHBondContact ND1-O 3.46Å; Y76-F403 HydrophobicContact CD2-CD2 4.43Å; Y76-F403 AromaticContact CD2-CE2 3.67Å; Y76-F403 HydrophobicContact CD2-CE2 3.67Å; Y76-F403 AromaticContact CD2-CZ 3.92Å; Y76-F403 HydrophobicContact CD2-CZ 3.92Å; Y76-F403 HydrophobicContact CE2-CE2 4.33Å; Y76-F403 HydrophobicContact CE2-CZ 4.11Å; Y76-F403 HydrophobicContact CG-CE2 4.37Å; L98-F403 HydrophobicContact CD2-CE1 3.69Å; L98-F403 HydrophobicContact CD2-CZ 4.29Å; L101-F403 HydrophobicContact CD2-CD1 3.79Å; F192-F403 HydrophobicContact CZ-CZ 4.32Å; L396-F403 HydrophobicContact CD2-CZ 4.23Å; T399-F403 VanDerWaalsContact O-CD1 3.26Å; T399-F403 WeakPolarHBondContact O-CD1 3.31Å; S400-F403 VanDerWaalsContact CA-CE1 3.45Å
404	G	78.6	Confident	89.4	Confident	20 Å²	20	32.5 Å²	32.5	21%	0.206	16%	0.163	C	C	.	.			trans	72.3	161.1	-179.4	0	0	0	0	0	114	S400 Y406	S400-G404 CarbonylContact O-C 3.57Å; S400-G404 WeakPolarHBondContact O-CA 3.45Å; S400-G404 PolarHBondContact O-N 2.75Å; G404-Y406 PolarHBondContact O-N 2.57Å
405	P	72.5	Confident	89.4	Confident	65 Å²	65	32.5 Å²	32.5	42%	0.422	16%	0.163	S	C	.	.			trans	-72.2	134.1	-174	30	-34.9	0	0	0	111.6	W407	P405-W407 HydrophobicContact CB-CZ2 3.83Å; P405-W407 HydrophobicContact CG-CZ2 4.08Å
406	Y	82.7	Confident	89.5	Confident	10 Å²	10	34.8 Å²	34.8	4%	0.039	18%	0.175	C	C	.	.			trans	-93.6	147.3	163.7	157.4	-122.6	0	0	0	109.6	Y76 I79 N191 F192 G404 V408	Y76-Y406 HydrophobicContact CD1-CD1 4.11Å; Y76-Y406 HydrophobicContact CD1-CE1 4.37Å; Y76-Y406 HydrophobicContact CG-CD1 4.36Å; Y76-Y406 HydrophobicContact CG-CG 4.49Å; Y76-Y406 WeakPolarHBondContact O-CD2 3.23Å; Y76-Y406 WeakPolarHBondContact O-CE2 3.18Å; I79-Y406 HydrophobicContact CD1-CE2 3.89Å; I79-Y406 WeakPolarHBondContact CD1-OH 3.49Å; I79-Y406 HydrophobicContact CG1-CE2 4.45Å; N191-Y406 WeakPolarHBondContact CA-O 3.32Å; N191-Y406 WeakPolarHBondContact CB-O 3.43Å; N191-Y406 PolarHBondContact ND2-O 2.75Å; N191-Y406 WeakPolarHBondContact O-CD1 3.44Å; N191-Y406 WeakPolarHBondContact O-CE1 3.41Å; F192-Y406 AromaticContact CD1-CD1 3.76Å; F192-Y406 HydrophobicContact CD1-CD1 3.76Å; F192-Y406 HydrophobicContact CD1-CE1 4.21Å; F192-Y406 AromaticContact CE1-CD1 3.73Å; F192-Y406 HydrophobicContact CE1-CD1 3.73Å; G404-Y406 PolarHBondContact O-N 2.57Å; Y406-V408 HydrophobicContact CE1-CG2 4.09Å
407	W	86.9	Confident	89.5	Confident	89 Å²	89	37.1 Å²	37.1	34%	0.337	19%	0.187	S	C	.	.			trans	-133.2	140.5	179.5	-52.4	91.7	0	0	0	110.3	R163 E189 V190 P405 P409	R163-W407 VanDerWaalsContact CZ-CH2 3.46Å; E189-W407 WeakPolarHBondContact O-CZ3 3.26Å; V190-W407 CarbonylContact O-C 3.37Å; V190-W407 WeakPolarHBondContact O-CA 3.29Å; P405-W407 HydrophobicContact CB-CZ2 3.83Å; P405-W407 HydrophobicContact CG-CZ2 4.08Å; W407-P409 VanDerWaalsContact O-CD 3.25Å; W407-P409 WeakPolarHBondContact O-CD 3.07Å
408	V	88.7	Confident	89.5	Confident	10 Å²	10	37.1 Å²	37.1	6%	0.061	19%	0.188	C	C	.	.			trans	-89.5	105.9	174.6	-174.5	0	0	0	0	108.1	N188 V190 T193 Y406 K410 V411	N188-V408 PolarHBondContact N-O 2.74Å; N188-V408 VanDerWaalsContact N-O 3.15Å; V190-V408 HydrophobicContact CG1-CG2 4.47Å; V190-V408 PolarHBondContact O-N 3.48Å; T193-V408 HydrophobicContact CG2-CG2 4.03Å; Y406-V408 HydrophobicContact CE1-CG2 4.09Å; V408-K410 VanDerWaalsContact C-N 3.31Å; V408-K410 PolarHBondContact O-N 3.43Å; V408-V411 HydrophobicContact CB-CB 3.98Å; V408-V411 HydrophobicContact CB-CG2 4.28Å; V408-V411 HydrophobicContact CG1-CB 3.64Å; V408-V411 HydrophobicContact CG1-CG2 3.94Å
409	P	87.3	Confident	89.6	Confident	49 Å²	49	37.6 Å²	37.6	32%	0.318	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.2	-163.9	26.4	-35.7	0	0	0	114.7	D187 N188 W407	D187-P409 WeakPolarHBondContact CB-O 3.2Å; N188-P409 PolarHBondContact ND2-O 3.23Å; N188-P409 WeakPolarHBondContact OD1-CA 3.41Å; N188-P409 WeakPolarHBondContact OD1-CB 3.43Å; W407-P409 VanDerWaalsContact O-CD 3.25Å; W407-P409 WeakPolarHBondContact O-CD 3.07Å
410	K	89.8	Confident	89.6	Confident	101 Å²	101	43.1 Å²	43.1	44%	0.439	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	51.4	179.8	-61.2	-176.7	-174.8	173.6	0	110.1	E81 D187 V408 A412 R413 W414	E81-K410 IonicContact OE1-NZ 2.81Å; E81-K410 PolarHBondContact OE1-NZ 3.39Å; E81-K410 VanDerWaalsContact OE1-NZ 3.08Å; D187-K410 VanDerWaalsContact OD1-C 3.23Å; D187-K410 WeakPolarHBondContact OD1-CA 2.93Å; V408-K410 VanDerWaalsContact C-N 3.31Å; V408-K410 PolarHBondContact O-N 3.43Å; K410-A412 PolarHBondContact O-N 3.25Å; K410-R413 HydrophobicContact CB-CB 4.11Å; K410-R413 PolarHBondContact O-N 3.03Å; K410-W414 WeakPolarHBondContact O-CB 3.4Å; K410-W414 PolarHBondContact O-N 2.81Å
411	V	91.6	Very high	89.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-36.4	-175.9	72.7	0	0	0	0	111.4	L182 L186 D187 V190 T193 V408 W414 W415	L182-V411 HydrophobicContact CD1-CG1 4.47Å; L182-V411 HydrophobicContact CD1-CG2 3.87Å; L186-V411 HydrophobicContact CB-CG1 3.91Å; L186-V411 WeakPolarHBondContact O-CG1 3.17Å; D187-V411 PolarHBondContact OD1-N 3.09Å; V190-V411 HydrophobicContact CB-CB 4.49Å; V190-V411 HydrophobicContact CB-CG1 4.36Å; V190-V411 HydrophobicContact CB-CG2 4.29Å; V190-V411 HydrophobicContact CG1-CG2 4.38Å; V190-V411 HydrophobicContact CG2-CG1 3.98Å; V190-V411 HydrophobicContact CG2-CG2 4.34Å; T193-V411 HydrophobicContact CG2-CG2 3.89Å; V408-V411 HydrophobicContact CB-CB 3.98Å; V408-V411 HydrophobicContact CB-CG2 4.28Å; V408-V411 HydrophobicContact CG1-CB 3.64Å; V408-V411 HydrophobicContact CG1-CG2 3.94Å; V411-W414 HydrophobicContact CG2-CE3 4.13Å; V411-W414 HydrophobicContact CG2-CZ3 4.49Å; V411-W415 WeakPolarHBondContact O-CB 3.28Å; V411-W415 PolarHBondContact O-N 3.41Å
412	A	93.6	Very high	89.2	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-49.5	178.5	0	0	0	0	0	111.2	L182 N184 D187 K410 W415 N416	L182-A412 HydrophobicContact CB-CB 4.31Å; L182-A412 WeakPolarHBondContact O-CB 3.26Å; N184-A412 VanDerWaalsContact OD1-CB 3.31Å; N184-A412 WeakPolarHBondContact OD1-CB 3.38Å; D187-A412 WeakPolarHBondContact OD1-CB 3.45Å; D187-A412 PolarHBondContact OD1-N 2.93Å; K410-A412 PolarHBondContact O-N 3.25Å; A412-W415 PolarHBondContact O-N 3.1Å; A412-N416 WeakPolarHBondContact O-CB 3.39Å; A412-N416 PolarHBondContact O-N 3.43Å; A412-N416 PolarHBondContact O-ND2 2.72Å
413	R	93.5	Very high	89.1	Confident	115 Å²	115	53.3 Å²	53.3	43%	0.434	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-48.6	176.4	-172.6	-174.5	179	-172.4	7.5	111.5	E81 K410 W415 D417	E81-R413 IonicContact OE1-CZ 3.35Å; E81-R413 IonicContact OE1-NH1 3.79Å; E81-R413 PolarHBondContact OE1-NH1 3.03Å; E81-R413 IonicContact OE2-NH1 3.99Å; K410-R413 HydrophobicContact CB-CB 4.11Å; K410-R413 PolarHBondContact O-N 3.03Å; R413-W415 PolarHBondContact O-N 2.96Å; R413-D417 VanDerWaalsContact CG-OD2 3.22Å; R413-D417 WeakPolarHBondContact CG-OD2 3.39Å; R413-D417 IonicContact NE-OD2 3.81Å; R413-D417 PolarHBondContact NE-OD2 2.94Å; R413-D417 WeakPolarHBondContact O-CB 3.42Å; R413-D417 PolarHBondContact O-N 3.06Å
414	W	91.6	Very high	89.1	Confident	43 Å²	43	53.8 Å²	53.8	16%	0.163	26%	0.262	C	S	.	.	H	α-helix	trans	-51.3	-46.3	179	163.8	77.7	0	0	0	111.2	T193 R197 D199 K410 V411	T193-W414 HydrophobicContact CG2-CE3 4.2Å; T193-W414 HydrophobicContact CG2-CH2 3.99Å; T193-W414 HydrophobicContact CG2-CZ3 3.66Å; R197-W414 HydrophobicContact CB-CZ2 4.12Å; R197-W414 PolarHBondContact NH1-O 3.41Å; D199-W414 VanDerWaalsContact CG-NE1 3.25Å; D199-W414 PolarHBondContact OD1-NE1 2.84Å; D199-W414 PolarHBondContact OD2-NE1 2.98Å; K410-W414 WeakPolarHBondContact O-CB 3.4Å; K410-W414 PolarHBondContact O-N 2.81Å; V411-W414 HydrophobicContact CG2-CE3 4.13Å; V411-W414 HydrophobicContact CG2-CZ3 4.49Å
415	W	94.3	Very high	89.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-76.5	-56	-177.9	-177.1	-109.8	0	0	0	113	I173 E175 P177 I180 L182 F196 R197 V411 A412 R413 D417 G418	I173-W415 HydrophobicContact CB-CH2 4.16Å; I173-W415 HydrophobicContact CB-CZ2 3.98Å; I173-W415 HydrophobicContact CD1-CZ2 4.45Å; I173-W415 HydrophobicContact CG2-CH2 3.89Å; I173-W415 HydrophobicContact CG2-CZ2 3.36Å; E175-W415 WeakPolarHBondContact O-CH2 3.41Å; E175-W415 WeakPolarHBondContact O-CZ2 3.48Å; P177-W415 WeakPolarHBondContact CB-O 3.46Å; P177-W415 HydrophobicContact CG-CD2 4.14Å; P177-W415 HydrophobicContact CG-CH2 4.44Å; P177-W415 HydrophobicContact CG-CZ2 3.98Å; P177-W415 WeakPolarHBondContact CG-O 3.5Å; I180-W415 PolarHBondContact O-NE1 3.45Å; L182-W415 HydrophobicContact CD1-CB 3.94Å; L182-W415 HydrophobicContact CD1-CG 4.06Å; L182-W415 HydrophobicContact CG-CB 4.34Å; L182-W415 HydrophobicContact CG-CG 4.15Å; F196-W415 AromaticContact CE1-CH2 3.6Å; F196-W415 HydrophobicContact CE1-CH2 3.6Å; F196-W415 HydrophobicContact CE1-CZ3 4.33Å; F196-W415 AromaticContact CZ-CH2 3.56Å; F196-W415 HydrophobicContact CZ-CH2 3.56Å; F196-W415 HydrophobicContact CZ-CZ3 4.04Å; R197-W415 HydrophobicContact CG-CZ3 4.01Å; V411-W415 WeakPolarHBondContact O-CB 3.28Å; V411-W415 PolarHBondContact O-N 3.41Å; A412-W415 PolarHBondContact O-N 3.1Å; R413-W415 PolarHBondContact O-N 2.96Å; W415-D417 VanDerWaalsContact C-N 3.29Å; W415-D417 PolarHBondContact O-N 3.49Å; W415-G418 PolarHBondContact O-N 2.82Å
416	N	95.2	Very high	90.4	Very high	50 Å²	50	59.8 Å²	59.8	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-29.2	-172.3	-62.7	-18	0	0	0	113	S181 L182 A412 G418	S181-N416 VanDerWaalsContact CA-OD1 3.26Å; S181-N416 WeakPolarHBondContact CA-OD1 3.27Å; S181-N416 WeakPolarHBondContact CB-OD1 3.17Å; L182-N416 PolarHBondContact N-OD1 2.9Å; L182-N416 PolarHBondContact O-ND2 2.97Å; A412-N416 WeakPolarHBondContact O-CB 3.39Å; A412-N416 PolarHBondContact O-N 3.43Å; A412-N416 PolarHBondContact O-ND2 2.72Å; N416-G418 PolarHBondContact O-N 3.16Å
417	D	95	Very high	90.2	Very high	49 Å²	49	66 Å²	66	26%	0.262	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-76.7	-3.8	176	-68.9	-1.2	0	0	0	112.2	R413 W415 C419 K420	R413-D417 VanDerWaalsContact CG-OD2 3.22Å; R413-D417 WeakPolarHBondContact CG-OD2 3.39Å; R413-D417 IonicContact NE-OD2 3.81Å; R413-D417 PolarHBondContact NE-OD2 2.94Å; R413-D417 WeakPolarHBondContact O-CB 3.42Å; R413-D417 PolarHBondContact O-N 3.06Å; W415-D417 VanDerWaalsContact C-N 3.29Å; W415-D417 PolarHBondContact O-N 3.49Å; D417-C419 PolarHBondContact O-N 3.3Å; D417-C419 VanDerWaalsContact O-N 3.08Å; D417-K420 HydrophobicContact CB-CD 3.9Å; D417-K420 HydrophobicContact CB-CG 4.41Å; D417-K420 VanDerWaalsContact CG-NZ 3.26Å; D417-K420 WeakPolarHBondContact O-CB 3.41Å; D417-K420 PolarHBondContact O-N 3.35Å; D417-K420 WeakPolarHBondContact OD1-CE 3.4Å; D417-K420 IonicContact OD1-NZ 3.43Å; D417-K420 PolarHBondContact OD1-NZ 3.3Å; D417-K420 IonicContact OD2-NZ 2.84Å; D417-K420 PolarHBondContact OD2-NZ 3.35Å
418	G	93	Very high	89.1	Confident	4 Å²	4	69.5 Å²	69.5	4%	0.041	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-61.1	-19.5	-175.6	0	0	0	0	0	115.3	R307 W415 N416	R307-G418 VanDerWaalsContact CB-O 3.22Å; R307-G418 WeakPolarHBondContact CB-O 3.26Å; R307-G418 PolarHBondContact N-O 3.28Å; W415-G418 PolarHBondContact O-N 2.82Å; N416-G418 PolarHBondContact O-N 3.16Å
419	C	95.3	Very high	89.1	Confident	18 Å²	18	72.5 Å²	72.5	12%	0.122	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-104.1	-2.5	177.1	-45.4	0	0	0	0	113.1	E178 L305 C306 D417	E178-C419 HydrophobicContact CG-CB 4.32Å; L305-C419 WeakPolarHBondContact O-CB 3.34Å; C306-C419 HydrophobicContact CB-CB 3.97Å; C306-C419 WeakPolarHBondContact CB-SG 3.21Å; C306-C419 WeakPolarHBondContact SG-CB 3.43Å; C306-C419 CovalentContact SG-SG 2.03Å; C306-C419 PolarHBondContact SG-SG 2.84Å; D417-C419 PolarHBondContact O-N 3.3Å; D417-C419 VanDerWaalsContact O-N 3.08Å
420	K	92.4	Very high	89.2	Confident	116 Å²	116	73.7 Å²	73.7	50%	0.504	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	144.8	177.1	-69.7	-177.4	176.6	170	0	110	D417 H422	D417-K420 HydrophobicContact CB-CD 3.9Å; D417-K420 HydrophobicContact CB-CG 4.41Å; D417-K420 VanDerWaalsContact CG-NZ 3.26Å; D417-K420 WeakPolarHBondContact O-CB 3.41Å; D417-K420 PolarHBondContact O-N 3.35Å; D417-K420 WeakPolarHBondContact OD1-CE 3.4Å; D417-K420 IonicContact OD1-NZ 3.43Å; D417-K420 PolarHBondContact OD1-NZ 3.3Å; D417-K420 IonicContact OD2-NZ 2.84Å; D417-K420 PolarHBondContact OD2-NZ 3.35Å; K420-H422 PolarHBondContact O-N 2.67Å; K420-H422 PolarHBondContact O-ND1 2.77Å
421	D	85.6	Confident	89.2	Confident	152 Å²	152	72.2 Å²	72.2	81%	0.813	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	-0.8	176.6	-49.7	-45	0	0	0	116.5	K423	D421-K423 PolarHBondContact O-N 2.85Å; D421-K423 VanDerWaalsContact O-N 3.17Å
422	H	87.4	Confident	89	Confident	50 Å²	50	76.4 Å²	76.4	23%	0.231	36%	0.357	C	S	.	.			trans	-82.5	95	172.4	-71	70.4	0	0	0	109.3	L305 E334 K420	L305-H422 HydrophobicContact CB-CB 4.07Å; L305-H422 VanDerWaalsContact O-CB 3.31Å; L305-H422 WeakPolarHBondContact O-CB 3.26Å; E334-H422 IonicContact OE2-NE2 2.66Å; K420-H422 PolarHBondContact O-N 2.67Å; K420-H422 PolarHBondContact O-ND1 2.77Å
423	K	87.3	Confident	88.8	Confident	170 Å²	170	81.2 Å²	81.2	74%	0.739	38%	0.379	S	S	*	.			trans	-125	145.4	177.4	-61.1	-177.4	-176.1	177.4	0	109.5	D421	D421-K423 PolarHBondContact O-N 2.85Å; D421-K423 VanDerWaalsContact O-N 3.17Å
424	L	89.2	Confident	88.4	Confident	19 Å²	19	78.9 Å²	78.9	10%	0.099	38%	0.376	C	S	.	.			trans	-69.4	152.9	171	-54.3	-177.6	0	0	0	110	P249 Y253 L305 M328 V347 D348 W426	P249-L424 HydrophobicContact CG-CD1 3.48Å; P249-L424 VanDerWaalsContact CG-CD1 3.48Å; P249-L424 HydrophobicContact CG-CG 4.29Å; Y253-L424 HydrophobicContact CD2-CD1 4.18Å; L305-L424 HydrophobicContact CD1-CD2 3.91Å; L305-L424 HydrophobicContact CD1-CG 3.78Å; L305-L424 HydrophobicContact CD2-CD2 4.08Å; M328-L424 HydrophobicContact CE-CD1 3.48Å; M328-L424 VanDerWaalsContact CE-CD1 3.48Å; M328-L424 HydrophobicContact CG-CD1 4.2Å; M328-L424 HydrophobicContact CG-CD2 3.83Å; M328-L424 HydrophobicContact SD-CD1 3.81Å; V347-L424 HydrophobicContact CG2-CD2 4Å; D348-L424 WeakPolarHBondContact OD1-CA 3.46Å; L424-W426 VanDerWaalsContact C-N 3.26Å
425	R	88.3	Confident	88.2	Confident	176 Å²	176	81.5 Å²	81.5	66%	0.664	39%	0.391	S	S	*	.	S	Bend	trans	-67.8	-31.1	168.3	-69.5	-174.3	178.7	177	-9.3	112.1	D348 N427	D348-R425 HydrophobicContact CB-CG 4.14Å; D348-R425 VanDerWaalsContact O-CD 3.29Å; D348-R425 WeakPolarHBondContact O-CD 3.42Å; D348-R425 PolarHBondContact O-NH1 3.39Å; D348-R425 PolarHBondContact OD1-N 2.94Å; R425-N427 PolarHBondContact O-N 3.47Å
426	W	89.3	Confident	87.8	Confident	35 Å²	35	87.8 Å²	87.8	13%	0.133	42%	0.421	C	S	.	.			trans	-71	120.1	176.6	178.1	60.8	0	0	0	110.6	Q252 Y253 E256 P353 L424 L428	Q252-W426 HydrophobicContact CB-CH2 4.26Å; Q252-W426 HydrophobicContact CB-CZ3 4.45Å; Y253-W426 HydrophobicContact CD2-CB 4.44Å; Y253-W426 AromaticContact CD2-CD2 3.8Å; Y253-W426 HydrophobicContact CD2-CD2 3.8Å; Y253-W426 AromaticContact CD2-CE3 3.29Å; Y253-W426 HydrophobicContact CD2-CE3 3.29Å; Y253-W426 HydrophobicContact CD2-CG 4.32Å; Y253-W426 AromaticContact CD2-CZ3 3.69Å; Y253-W426 HydrophobicContact CD2-CZ3 3.69Å; Y253-W426 HydrophobicContact CE2-CB 3.95Å; Y253-W426 HydrophobicContact CE2-CD2 4.02Å; Y253-W426 AromaticContact CE2-CE3 3.96Å; Y253-W426 HydrophobicContact CE2-CE3 3.96Å; Y253-W426 HydrophobicContact CE2-CG 4.07Å; Y253-W426 HydrophobicContact CG-CE3 4.14Å; Y253-W426 HydrophobicContact CG-CZ3 4.09Å; E256-W426 HydrophobicContact CB-CH2 4.33Å; E256-W426 HydrophobicContact CB-CZ2 4.1Å; E256-W426 HydrophobicContact CG-CZ2 4.07Å; P353-W426 HydrophobicContact CG-CD2 4.23Å; P353-W426 HydrophobicContact CG-CG 4.49Å; P353-W426 HydrophobicContact CG-CZ2 4.1Å; L424-W426 VanDerWaalsContact C-N 3.26Å; W426-L428 HydrophobicContact CH2-CD2 3.3Å; W426-L428 HydrophobicContact CH2-CG 4.14Å; W426-L428 HydrophobicContact CZ2-CD2 4.05Å; W426-L428 HydrophobicContact CZ3-CD2 3.57Å; W426-L428 HydrophobicContact CZ3-CG 4.04Å
427	N	78.1	Confident	87.1	Confident	139 Å²	139	90.9 Å²	90.9	74%	0.743	43%	0.434	S	S	*	.			trans	-92.8	133.5	169.3	-67.7	-42.5	0	0	0	109.1	R425	R425-N427 PolarHBondContact O-N 3.47Å
428	L	64.7	Low	86.4	Confident	163 Å²	163	94.7 Å²	94.7	85%	0.853	45%	0.449	S	S	*	.			trans	-58.3	0	178.9	-83.2	162.7	0	0	0	113.5	P249 Q252 W426	P249-L428 HydrophobicContact CB-CD1 4.4Å; Q252-L428 HydrophobicContact CB-CD2 3.51Å; Q252-L428 HydrophobicContact CG-CD2 3.93Å; W426-L428 HydrophobicContact CH2-CD2 3.3Å; W426-L428 HydrophobicContact CH2-CG 4.14Å; W426-L428 HydrophobicContact CZ2-CD2 4.05Å; W426-L428 HydrophobicContact CZ3-CD2 3.57Å; W426-L428 HydrophobicContact CZ3-CG 4.04Å

Retrieved 428 of 428 residues in 526.5 ms (Link to these results)

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