A0A077Z7G6_TRITR Loading...

Cytosol aminopeptidase

AlphaFold DB , UniProt , Accession A0A077Z7G6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 444 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	27.2	Very low	29.7	Very low	151 Å²	151	113.7 Å²	113.7	74%	0.744	57%	0.567	S	S	*	*				0	127.2	0	-81.7	176.8	-179.3	0	0	108.6	V3 G42 V44	M1-V3 PolarHBondContact O-N 3.44Å; M1-G42 PolarHBondContact N-O 3.43Å; M1-V44 HydrophobicContact CB-CG2 4.23Å; M1-V44 HydrophobicContact CG-CG2 4.31Å; M1-V44 HydrophobicContact SD-CB 4.28Å; M1-V44 HydrophobicContact SD-CG2 3.38Å; M1-V44 WeakPolarHBondContact SD-CG2 3.49Å
2	S	28.2	Very low	30.1	Very low	43 Å²	43	118.3 Å²	118.3	30%	0.301	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.3	116.6	165.7	-40.5	0	0	0	0	106.9	L4 M16	S2-L4 PolarHBondContact O-N 2.96Å; S2-M16 PolarHBondContact OG-O 2.9Å
3	V	32.6	Very low	30.6	Very low	35 Å²	35	118 Å²	118	21%	0.212	59%	0.594	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.3	108.3	172.9	167.8	0	0	0	0	107.9	M1 V39 I41	M1-V3 PolarHBondContact O-N 3.44Å; V3-V39 PolarHBondContact N-O 3.37Å; V3-I41 HydrophobicContact CB-CD1 4.05Å; V3-I41 HydrophobicContact CB-CG1 4.09Å; V3-I41 HydrophobicContact CB-CG2 4.2Å; V3-I41 HydrophobicContact CG2-CD1 3.26Å; V3-I41 HydrophobicContact CG2-CG1 3.62Å
4	L	36.3	Very low	30.4	Very low	57 Å²	57	122.9 Å²	122.9	30%	0.298	61%	0.614	S	S	.	*			trans	-65.2	144	166.8	-146.7	84.9	0	0	0	108.6	S2 R6 L13 V38	S2-L4 PolarHBondContact O-N 2.96Å; L4-R6 PolarHBondContact O-N 3.35Å; L4-L13 HydrophobicContact CD1-CD1 3.81Å; L4-L13 HydrophobicContact CD1-CD2 4.01Å; L4-V38 HydrophobicContact CD1-CG2 4.39Å
5	L	37.6	Very low	30.4	Very low	42 Å²	42	125.5 Å²	125.5	22%	0.22	63%	0.629	C	S	.	*	S	Bend	trans	-47.2	101	139.2	-80	153.9	0	0	0	107.2	F7 V36	L5-F7 PolarHBondContact O-N 3.27Å; L5-V36 HydrophobicContact CD1-CG1 3.75Å
6	R	27.5	Very low	30.8	Very low	216 Å²	216	124.9 Å²	124.9	82%	0.815	63%	0.626	S	S	*	*			trans	-53.8	118.6	-170.1	-120.7	-178.1	-176.3	-166.1	3.6	111.3	L4	L4-R6 PolarHBondContact O-N 3.35Å
7	F	28.8	Very low	31.2	Very low	95 Å²	95	124.9 Å²	124.9	42%	0.417	63%	0.634	S	S	.	*			trans	-138.9	127.1	158.8	-76.2	-63	0	0	0	112.3	L5 S9 F30 M31	L5-F7 PolarHBondContact O-N 3.27Å; F7-S9 PolarHBondContact O-N 2.92Å; F7-F30 HydrophobicContact CB-CE1 3.6Å; F7-F30 HydrophobicContact CB-CZ 4.33Å; F7-F30 AromaticContact CD2-CD1 3.63Å; F7-F30 HydrophobicContact CD2-CD1 3.63Å; F7-F30 AromaticContact CD2-CE1 3.51Å; F7-F30 HydrophobicContact CD2-CE1 3.51Å; F7-F30 HydrophobicContact CE2-CD1 4.12Å; F7-F30 HydrophobicContact CE2-CE1 4.39Å; F7-F30 HydrophobicContact CG-CD1 4.32Å; F7-F30 AromaticContact CG-CE1 3.77Å; F7-F30 HydrophobicContact CG-CE1 3.77Å; F7-M31 HydrophobicContact CB-SD 3.9Å; F7-M31 HydrophobicContact CD1-CE 3.17Å; F7-M31 HydrophobicContact CD1-CG 4.47Å; F7-M31 HydrophobicContact CD1-SD 2.98Å; F7-M31 WeakPolarHBondContact CD1-SD 3.45Å; F7-M31 HydrophobicContact CD2-SD 3.5Å; F7-M31 WeakPolarHBondContact CD2-SD 3.38Å; F7-M31 HydrophobicContact CE1-CB 4.14Å; F7-M31 HydrophobicContact CE1-CE 3.29Å; F7-M31 HydrophobicContact CE1-CG 4.12Å; F7-M31 HydrophobicContact CE1-SD 3.11Å; F7-M31 WeakPolarHBondContact CE1-SD 3.46Å; F7-M31 HydrophobicContact CE2-CB 3.83Å; F7-M31 HydrophobicContact CE2-CG 4.31Å; F7-M31 HydrophobicContact CE2-SD 3.61Å; F7-M31 HydrophobicContact CG-CE 3.95Å; F7-M31 HydrophobicContact CG-SD 3.16Å; F7-M31 WeakPolarHBondContact CG-SD 3.46Å; F7-M31 HydrophobicContact CZ-CB 3.56Å; F7-M31 HydrophobicContact CZ-CE 4.14Å; F7-M31 HydrophobicContact CZ-CG 4.01Å; F7-M31 HydrophobicContact CZ-SD 3.41Å; F7-M31 WeakPolarHBondContact CZ-SD 3.44Å
8	R	25.4	Very low	32.2	Very low	248 Å²	248	119.3 Å²	119.3	94%	0.936	61%	0.605	S	S	*	*			trans	-75.6	108.8	166.6	-92.1	-179	166	-179.6	-4.4	108
9	S	28.4	Very low	33.2	Very low	106 Å²	106	123.6 Å²	123.6	74%	0.741	61%	0.613	S	S	*	*	S	Bend	trans	166.5	138.4	142.7	175.5	0	0	0	0	109.3	F7	F7-S9 PolarHBondContact O-N 2.92Å
10	N	26.4	Very low	34.2	Very low	152 Å²	152	122.3 Å²	122.3	81%	0.813	60%	0.601	S	S	*	*			trans	-50.2	149.1	-170.8	-68.2	-40	0	0	0	115.3
11	S	28.9	Very low	35.3	Very low	106 Å²	106	118.2 Å²	118.2	74%	0.741	58%	0.584	S	S	*	*	S	Bend	trans	95.5	122.5	167.3	72.7	0	0	0	0	117.5
12	L	34.1	Very low	36.7	Very low	168 Å²	168	115.3 Å²	115.3	88%	0.88	57%	0.571	S	S	*	*	S	Bend	trans	109	9.4	166.6	-71.3	159.8	0	0	0	122
13	L	35.8	Very low	38.2	Very low	115 Å²	115	115 Å²	115	60%	0.602	57%	0.569	S	S	*	*			trans	-116.3	73.1	157	-107.7	99.3	0	0	0	111	L4 L15	L4-L13 HydrophobicContact CD1-CD1 3.81Å; L4-L13 HydrophobicContact CD1-CD2 4.01Å; L13-L15 PolarHBondContact O-N 3.36Å
14	Q	28.9	Very low	39.8	Very low	187 Å²	187	115.4 Å²	115.4	87%	0.874	57%	0.572	S	S	*	*			trans	-77.1	108.9	162.8	-85.3	-178	-27.6	0	0	108.8	M16	Q14-M16 PolarHBondContact O-N 2.96Å
15	L	30.4	Very low	41	Very low	161 Å²	161	116.2 Å²	116.2	84%	0.843	58%	0.576	S	S	*	*			trans	63.4	38	152.7	-82.1	151.9	0	0	0	120.1	L13 V17	L13-L15 PolarHBondContact O-N 3.36Å; L15-V17 PolarHBondContact O-N 3.27Å
16	M	35.8	Very low	42.1	Very low	117 Å²	117	116.7 Å²	116.7	58%	0.576	58%	0.583	S	S	*	*			trans	-89.3	97.4	160.3	-82.9	-170.4	157.6	0	0	111.7	S2 Q14 L18 T24	S2-M16 PolarHBondContact OG-O 2.9Å; Q14-M16 PolarHBondContact O-N 2.96Å; M16-L18 PolarHBondContact O-N 2.89Å; M16-T24 HydrophobicContact CE-CG2 4.39Å; M16-T24 HydrophobicContact SD-CG2 4Å
17	V	37.6	Very low	43.4	Very low	125 Å²	125	112.9 Å²	112.9	76%	0.758	58%	0.578	S	S	*	*			trans	-74.4	90.4	164.7	-178.6	0	0	0	0	108	L15 R19	L15-V17 PolarHBondContact O-N 3.27Å; V17-R19 PolarHBondContact O-N 3.37Å
18	L	49.6	Very low	44.5	Very low	23 Å²	23	110.7 Å²	110.7	12%	0.12	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-73.4	117.6	172.8	-69.7	169.7	0	0	0	109.1	M16 L22 T24 V38	M16-L18 PolarHBondContact O-N 2.89Å; L18-L22 HydrophobicContact CD2-CB 3.95Å; L18-T24 HydrophobicContact CD2-CG2 3.84Å; L18-V38 HydrophobicContact CD1-CB 4.17Å; L18-V38 HydrophobicContact CD1-CG1 3.73Å
19	R	51.9	Low	45.7	Very low	201 Å²	201	105 Å²	105	76%	0.758	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-66.8	158.8	166.1	-61.3	-175.2	177.3	-171.3	-0.4	109.7	V17 S21 L22	V17-R19 PolarHBondContact O-N 3.37Å; R19-S21 PolarHBondContact O-N 2.83Å; R19-L22 HydrophobicContact CB-CD1 3.77Å; R19-L22 HydrophobicContact CB-CG 4.4Å; R19-L22 HydrophobicContact CG-CD1 4.43Å; R19-L22 WeakPolarHBondContact O-CB 3.49Å; R19-L22 PolarHBondContact O-N 3.07Å; R19-L22 VanDerWaalsContact O-N 3.12Å
20	R	51.8	Low	46.6	Very low	97 Å²	97	103.8 Å²	103.8	37%	0.366	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46	132.1	180	-174.5	-178.2	-175.7	-140.2	-1.5	111.2	L22 N60	R20-L22 PolarHBondContact O-N 3.02Å; R20-N60 PolarHBondContact NE-OD1 3.16Å; R20-N60 PolarHBondContact NH2-OD1 3.16Å
21	S	57.7	Low	47.7	Very low	37 Å²	37	102.6 Å²	102.6	26%	0.259	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	12.8	178.1	-48.8	0	0	0	0	116.6	R19 G40	R19-S21 PolarHBondContact O-N 2.83Å; S21-G40 PolarHBondContact N-O 2.73Å
22	L	56.5	Low	49	Very low	90 Å²	90	101 Å²	101	47%	0.471	54%	0.54	S	S	.	.			trans	-84	134.7	165.9	-66.8	176.4	0	0	0	109.8	L18 R19 R20 V39 G40	L18-L22 HydrophobicContact CD2-CB 3.95Å; R19-L22 HydrophobicContact CB-CD1 3.77Å; R19-L22 HydrophobicContact CB-CG 4.4Å; R19-L22 HydrophobicContact CG-CD1 4.43Å; R19-L22 WeakPolarHBondContact O-CB 3.49Å; R19-L22 PolarHBondContact O-N 3.07Å; R19-L22 VanDerWaalsContact O-N 3.12Å; R20-L22 PolarHBondContact O-N 3.02Å; L22-V39 WeakPolarHBondContact O-CA 3.49Å; L22-G40 PolarHBondContact O-N 3.41Å
23	C	60.7	Low	50.1	Low	36 Å²	36	94.7 Å²	94.7	24%	0.243	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.2	175.6	-175	0	0	0	0	110.1	V38 V39 V67	C23-V38 VanDerWaalsContact CA-O 3.29Å; C23-V38 WeakPolarHBondContact CA-O 3.41Å; C23-V39 HydrophobicContact CB-CG1 3.73Å; C23-V67 HydrophobicContact CB-CG1 3.67Å
24	T	66	Low	51.7	Low	44 Å²	44	95.5 Å²	95.5	27%	0.27	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.4	166.5	48.8	0	0	0	0	109.8	M16 L18 A37 V38	M16-T24 HydrophobicContact CE-CG2 4.39Å; M16-T24 HydrophobicContact SD-CG2 4Å; L18-T24 HydrophobicContact CD2-CG2 3.84Å; T24-A37 WeakPolarHBondContact O-CA 3.35Å; T24-V38 PolarHBondContact N-O 2.84Å; T24-V38 PolarHBondContact O-N 2.96Å
25	L	61.5	Low	54	Low	74 Å²	74	87.7 Å²	87.7	39%	0.387	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.9	174.2	-66.5	172.9	0	0	0	109	T35 V36 A37 A71 L72 V75	L25-T35 HydrophobicContact CD2-CG2 3.9Å; L25-V36 WeakPolarHBondContact CA-O 3.49Å; L25-A37 HydrophobicContact CD2-CB 3.88Å; L25-A71 HydrophobicContact CD1-CB 4.35Å; L25-A71 HydrophobicContact CD2-CB 4.21Å; L25-A71 HydrophobicContact CG-CB 4.44Å; L25-L72 HydrophobicContact CD2-CD2 4.25Å; L25-V75 HydrophobicContact CD1-CG1 3.73Å
26	S	59.9	Low	56.3	Low	53 Å²	53	80.9 Å²	80.9	37%	0.371	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.5	169.4	-178.2	0	0	0	0	109.4	S28 V36	S26-S28 PolarHBondContact O-N 2.72Å; S26-S28 PolarHBondContact OG-OG 2.75Å; S26-V36 PolarHBondContact N-O 3.16Å; S26-V36 PolarHBondContact O-N 3.07Å; S26-V36 VanDerWaalsContact O-N 3.09Å
27	N	56	Low	58.4	Low	135 Å²	135	75.9 Å²	75.9	72%	0.722	42%	0.424	S	S	*	.			trans	-95.2	82.3	168.8	-68.4	-18.9	0	0	0	107.4	T35	N27-T35 PolarHBondContact OD1-OG1 2.87Å
28	S	51.9	Low	60.6	Low	49 Å²	49	70.4 Å²	70.4	34%	0.343	39%	0.391	S	S	.	.	S	Bend	trans	-132.5	137.5	168.7	49.4	0	0	0	0	107.1	S26 F30	S26-S28 PolarHBondContact O-N 2.72Å; S26-S28 PolarHBondContact OG-OG 2.75Å; S28-F30 PolarHBondContact O-N 3.25Å
29	V	49.3	Very low	62.1	Low	128 Å²	128	70 Å²	70	78%	0.776	39%	0.389	S	S	*	.			trans	-68.4	86.7	174.9	-178.4	0	0	0	0	107
30	F	46.9	Very low	63.6	Low	81 Å²	81	60.4 Å²	60.4	36%	0.355	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-105.9	103.5	-178.7	-148.1	-82.2	0	0	0	107.4	F7 S28 G32 A33 V36	F7-F30 HydrophobicContact CB-CE1 3.6Å; F7-F30 HydrophobicContact CB-CZ 4.33Å; F7-F30 AromaticContact CD2-CD1 3.63Å; F7-F30 HydrophobicContact CD2-CD1 3.63Å; F7-F30 AromaticContact CD2-CE1 3.51Å; F7-F30 HydrophobicContact CD2-CE1 3.51Å; F7-F30 HydrophobicContact CE2-CD1 4.12Å; F7-F30 HydrophobicContact CE2-CE1 4.39Å; F7-F30 HydrophobicContact CG-CD1 4.32Å; F7-F30 AromaticContact CG-CE1 3.77Å; F7-F30 HydrophobicContact CG-CE1 3.77Å; S28-F30 PolarHBondContact O-N 3.25Å; F30-G32 VanDerWaalsContact C-N 3.29Å; F30-G32 PolarHBondContact O-N 3.06Å; F30-A33 PolarHBondContact N-O 2.65Å; F30-A33 WeakPolarHBondContact O-CB 3.46Å; F30-A33 PolarHBondContact O-N 3.49Å; F30-V36 HydrophobicContact CB-CG2 4.32Å
31	M	50.9	Low	65.1	Low	128 Å²	128	56.5 Å²	56.5	63%	0.631	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	42.4	174.5	-72.9	155.6	121.4	0	0	114.2	F7 A33	F7-M31 HydrophobicContact CB-SD 3.9Å; F7-M31 HydrophobicContact CD1-CE 3.17Å; F7-M31 HydrophobicContact CD1-CG 4.47Å; F7-M31 HydrophobicContact CD1-SD 2.98Å; F7-M31 WeakPolarHBondContact CD1-SD 3.45Å; F7-M31 HydrophobicContact CD2-SD 3.5Å; F7-M31 WeakPolarHBondContact CD2-SD 3.38Å; F7-M31 HydrophobicContact CE1-CB 4.14Å; F7-M31 HydrophobicContact CE1-CE 3.29Å; F7-M31 HydrophobicContact CE1-CG 4.12Å; F7-M31 HydrophobicContact CE1-SD 3.11Å; F7-M31 WeakPolarHBondContact CE1-SD 3.46Å; F7-M31 HydrophobicContact CE2-CB 3.83Å; F7-M31 HydrophobicContact CE2-CG 4.31Å; F7-M31 HydrophobicContact CE2-SD 3.61Å; F7-M31 HydrophobicContact CG-CE 3.95Å; F7-M31 HydrophobicContact CG-SD 3.16Å; F7-M31 WeakPolarHBondContact CG-SD 3.46Å; F7-M31 HydrophobicContact CZ-CB 3.56Å; F7-M31 HydrophobicContact CZ-CE 4.14Å; F7-M31 HydrophobicContact CZ-CG 4.01Å; F7-M31 HydrophobicContact CZ-SD 3.41Å; F7-M31 WeakPolarHBondContact CZ-SD 3.44Å; M31-A33 VanDerWaalsContact C-N 3.33Å; M31-A33 PolarHBondContact O-N 3.26Å
32	G	55.2	Low	66.4	Low	71 Å²	71	55.6 Å²	55.6	73%	0.732	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-7.5	177.5	0	0	0	0	0	115	F30	F30-G32 VanDerWaalsContact C-N 3.29Å; F30-G32 PolarHBondContact O-N 3.06Å
33	A	58.2	Low	67.8	Low	36 Å²	36	56.5 Å²	56.5	30%	0.298	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-81.2	133.9	173.1	0	0	0	0	0	111.1	F30 M31 V36	F30-A33 PolarHBondContact N-O 2.65Å; F30-A33 WeakPolarHBondContact O-CB 3.46Å; F30-A33 PolarHBondContact O-N 3.49Å; M31-A33 VanDerWaalsContact C-N 3.33Å; M31-A33 PolarHBondContact O-N 3.26Å; A33-V36 HydrophobicContact CB-CG2 4.35Å
34	L	69	Low	68.8	Low	133 Å²	133	59.6 Å²	59.6	70%	0.696	36%	0.359	S	S	*	.	S	Bend	trans	-75.5	-35.3	174.7	-74.6	156.8	0	0	0	112
35	T	76.6	Confident	69.6	Low	22 Å²	22	60.6 Å²	60.6	14%	0.135	38%	0.378	C	S	.	.			trans	-142.2	136.6	-177.5	-56.8	0	0	0	0	110.6	L25 N27 L72 V75	L25-T35 HydrophobicContact CD2-CG2 3.9Å; N27-T35 PolarHBondContact OD1-OG1 2.87Å; T35-L72 HydrophobicContact CG2-CD2 4.1Å; T35-V75 HydrophobicContact CG2-CG2 4.27Å
36	V	78.4	Confident	70.8	Confident	19 Å²	19	59.5 Å²	59.5	12%	0.115	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124	178.8	176.6	0	0	0	0	109.3	L5 L25 S26 F30 A33 V38	L5-V36 HydrophobicContact CD1-CG1 3.75Å; L25-V36 WeakPolarHBondContact CA-O 3.49Å; S26-V36 PolarHBondContact N-O 3.16Å; S26-V36 PolarHBondContact O-N 3.07Å; S26-V36 VanDerWaalsContact O-N 3.09Å; F30-V36 HydrophobicContact CB-CG2 4.32Å; A33-V36 HydrophobicContact CB-CG2 4.35Å; V36-V38 HydrophobicContact CG1-CG2 3.98Å
37	A	81.4	Confident	72.3	Confident	12 Å²	12	58.5 Å²	58.5	10%	0.099	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.5	170.3	0	0	0	0	0	110.2	T24 L25 A68 L72	T24-A37 WeakPolarHBondContact O-CA 3.35Å; L25-A37 HydrophobicContact CD2-CB 3.88Å; A37-A68 HydrophobicContact CB-CB 4.24Å; A37-L72 HydrophobicContact CB-CD1 4.05Å; A37-L72 HydrophobicContact CB-CD2 3.82Å; A37-L72 HydrophobicContact CB-CG 3.77Å
38	V	82.7	Confident	74.1	Confident	10 Å²	10	57.1 Å²	57.1	6%	0.061	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.6	176.4	-174	0	0	0	0	109.1	L4 L18 C23 T24 V36	L4-V38 HydrophobicContact CD1-CG2 4.39Å; L18-V38 HydrophobicContact CD1-CB 4.17Å; L18-V38 HydrophobicContact CD1-CG1 3.73Å; C23-V38 VanDerWaalsContact CA-O 3.29Å; C23-V38 WeakPolarHBondContact CA-O 3.41Å; T24-V38 PolarHBondContact N-O 2.84Å; T24-V38 PolarHBondContact O-N 2.96Å; V36-V38 HydrophobicContact CG1-CG2 3.98Å
39	V	80.9	Confident	76.1	Confident	13 Å²	13	56.8 Å²	56.8	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.2	-176.9	-70.9	0	0	0	0	114.1	V3 L22 C23 I41 A64 A68	V3-V39 PolarHBondContact N-O 3.37Å; L22-V39 WeakPolarHBondContact O-CA 3.49Å; C23-V39 HydrophobicContact CB-CG1 3.73Å; V39-I41 PolarHBondContact O-N 2.89Å; V39-A64 HydrophobicContact CB-CB 4.04Å; V39-A64 HydrophobicContact CG2-CB 3.83Å; V39-A68 HydrophobicContact CG1-CB 3.65Å; V39-A68 HydrophobicContact CG2-CB 4.33Å
40	G	84.2	Confident	78.2	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.4	174.4	0	0	0	0	0	112.5	S21 L22	S21-G40 PolarHBondContact N-O 2.73Å; L22-G40 PolarHBondContact O-N 3.41Å
41	I	82.9	Confident	80.4	Confident	15 Å²	15	58.9 Å²	58.9	8%	0.077	37%	0.367	C	S	.	.			trans	-97.1	6.8	-177.6	65.1	152.7	0	0	0	114.8	V3 V39 N60 I61 A64	V3-I41 HydrophobicContact CB-CD1 4.05Å; V3-I41 HydrophobicContact CB-CG1 4.09Å; V3-I41 HydrophobicContact CB-CG2 4.2Å; V3-I41 HydrophobicContact CG2-CD1 3.26Å; V3-I41 HydrophobicContact CG2-CG1 3.62Å; V39-I41 PolarHBondContact O-N 2.89Å; I41-N60 WeakPolarHBondContact O-CB 3.47Å; I41-N60 PolarHBondContact O-ND2 3.47Å; I41-I61 HydrophobicContact CB-CD1 3.72Å; I41-I61 HydrophobicContact CD1-CD1 4.02Å; I41-I61 HydrophobicContact CG2-CD1 3.63Å; I41-A64 HydrophobicContact CG2-CB 4.01Å
42	G	85	Confident	82.3	Confident	17 Å²	17	56.4 Å²	56.4	18%	0.175	35%	0.354	C	S	.	.			trans	79.2	-146.7	-174.4	0	0	0	0	0	113.3	M1	M1-G42 PolarHBondContact N-O 3.43Å
43	N	86	Confident	84.1	Confident	110 Å²	110	55.3 Å²	55.3	59%	0.588	33%	0.33	S	S	*	.	S	Bend	trans	-89.4	137.6	-178.7	-64.9	-36.9	0	0	0	110.3	E46	N43-E46 HydrophobicContact CB-CG 3.73Å; N43-E46 PolarHBondContact N-OE2 3.14Å; N43-E46 WeakPolarHBondContact O-CG 3.45Å
44	V	81.8	Confident	85.8	Confident	101 Å²	101	54 Å²	54	61%	0.612	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	137.5	177	176.3	0	0	0	0	109.1	M1	M1-V44 HydrophobicContact CB-CG2 4.23Å; M1-V44 HydrophobicContact CG-CG2 4.31Å; M1-V44 HydrophobicContact SD-CB 4.28Å; M1-V44 HydrophobicContact SD-CG2 3.38Å; M1-V44 WeakPolarHBondContact SD-CG2 3.49Å
45	G	82.2	Confident	87	Confident	65 Å²	65	49.3 Å²	49.3	67%	0.67	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	7.5	179.6	0	0	0	0	0	115.1	G47	G45-G47 PolarHBondContact O-N 2.73Å
46	E	87.3	Confident	87.7	Confident	50 Å²	50	50.1 Å²	50.1	23%	0.234	29%	0.294	C	S	.	.			trans	-60.9	112	175	-77.4	-174.5	128.8	0	0	111.8	N43 H55 K56 G57 N60	N43-E46 HydrophobicContact CB-CG 3.73Å; N43-E46 PolarHBondContact N-OE2 3.14Å; N43-E46 WeakPolarHBondContact O-CG 3.45Å; E46-H55 PolarHBondContact O-CE1 2.83Å; E46-K56 HydrophobicContact CB-CB 4.23Å; E46-K56 HydrophobicContact CB-CG 4.44Å; E46-G57 WeakPolarHBondContact O-CA 3.47Å; E46-G57 PolarHBondContact O-N 2.99Å; E46-N60 PolarHBondContact OE2-ND2 3.45Å
47	G	91.2	Very high	88.3	Confident	32 Å²	32	49.5 Å²	49.5	33%	0.33	29%	0.291	S	S	.	.			trans	-88.7	-144	179.2	0	0	0	0	0	113.7	G45 K56	G45-G47 PolarHBondContact O-N 2.73Å; G47-K56 PolarHBondContact O-N 3.37Å
48	Y	93.4	Very high	88.8	Confident	106 Å²	106	51.7 Å²	51.7	42%	0.416	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.9	174.5	-165.9	-90.3	0	0	0	110.9	I50 Q53	Y48-I50 HydrophobicContact CD1-CG1 4.45Å; Y48-Q53 VanDerWaalsContact CZ-C 3.49Å; Y48-Q53 VanDerWaalsContact OH-C 3.22Å; Y48-Q53 VanDerWaalsContact OH-CA 3.24Å; Y48-Q53 WeakPolarHBondContact OH-CA 3.43Å; Y48-Q53 PolarHBondContact OH-O 3.03Å
49	V	94.6	Very high	89.1	Confident	43 Å²	43	52.9 Å²	52.9	26%	0.261	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111	178.9	175.4	0	0	0	0	108.5	S51 E52 Q53 L54 K56	V49-S51 VanDerWaalsContact C-N 3.33Å; V49-S51 WeakPolarHBondContact CG1-OG 3.36Å; V49-S51 PolarHBondContact O-N 3.23Å; V49-E52 HydrophobicContact CB-CB 4.24Å; V49-E52 HydrophobicContact CB-CG 4.49Å; V49-E52 HydrophobicContact CG1-CB 4.03Å; V49-E52 HydrophobicContact CG1-CG 3.87Å; V49-E52 CarbonylContact O-C 3.54Å; V49-E52 PolarHBondContact O-N 3.04Å; V49-E52 VanDerWaalsContact O-N 3.1Å; V49-Q53 PolarHBondContact O-N 3.47Å; V49-L54 PolarHBondContact N-O 3.43Å; V49-K56 HydrophobicContact CB-CB 4.46Å; V49-K56 HydrophobicContact CG2-CB 3.57Å; V49-K56 HydrophobicContact CG2-CG 4.18Å
50	I	93.5	Very high	89.5	Confident	146 Å²	146	52.3 Å²	52.3	75%	0.749	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-42.8	-173.3	-63.9	173.6	0	0	0	111.8	Y48 E52 Q53	Y48-I50 HydrophobicContact CD1-CG1 4.45Å; I50-E52 PolarHBondContact O-N 3.3Å; I50-Q53 VanDerWaalsContact O-CG 3.32Å; I50-Q53 WeakPolarHBondContact O-CG 3.36Å; I50-Q53 PolarHBondContact O-N 3.08Å
51	S	93.5	Very high	89.7	Confident	106 Å²	106	52.4 Å²	52.4	74%	0.741	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.3	-179.8	59.8	0	0	0	0	113.6	V49	V49-S51 VanDerWaalsContact C-N 3.33Å; V49-S51 WeakPolarHBondContact CG1-OG 3.36Å; V49-S51 PolarHBondContact O-N 3.23Å
52	E	91.4	Very high	89.8	Confident	76 Å²	76	51.7 Å²	51.7	36%	0.355	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-12.5	179.7	-66.5	-67.4	169.3	0	0	112.8	V49 I50 L54 R356	V49-E52 HydrophobicContact CB-CB 4.24Å; V49-E52 HydrophobicContact CB-CG 4.49Å; V49-E52 HydrophobicContact CG1-CB 4.03Å; V49-E52 HydrophobicContact CG1-CG 3.87Å; V49-E52 CarbonylContact O-C 3.54Å; V49-E52 PolarHBondContact O-N 3.04Å; V49-E52 VanDerWaalsContact O-N 3.1Å; I50-E52 PolarHBondContact O-N 3.3Å; E52-L54 HydrophobicContact CB-CD2 4.35Å; E52-L54 HydrophobicContact CB-CG 3.94Å; E52-L54 PolarHBondContact O-N 2.99Å; E52-R356 WeakPolarHBondContact O-CD 3.17Å; E52-R356 PolarHBondContact O-NH1 2.76Å; E52-R356 IonicContact OE2-NH1 3.92Å; E52-R356 PolarHBondContact OE2-NH1 3.26Å
53	Q	92.9	Very high	89.8	Confident	49 Å²	49	53 Å²	53	23%	0.229	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	39.5	-176.3	-58.8	178.6	-15.3	0	0	113.7	Y48 V49 I50 F347 G351	Y48-Q53 VanDerWaalsContact CZ-C 3.49Å; Y48-Q53 VanDerWaalsContact OH-C 3.22Å; Y48-Q53 VanDerWaalsContact OH-CA 3.24Å; Y48-Q53 WeakPolarHBondContact OH-CA 3.43Å; Y48-Q53 PolarHBondContact OH-O 3.03Å; V49-Q53 PolarHBondContact O-N 3.47Å; I50-Q53 VanDerWaalsContact O-CG 3.32Å; I50-Q53 WeakPolarHBondContact O-CG 3.36Å; I50-Q53 PolarHBondContact O-N 3.08Å; Q53-F347 HydrophobicContact CB-CE2 4.2Å; Q53-F347 HydrophobicContact CB-CZ 3.95Å; Q53-F347 HydrophobicContact CG-CE2 4.28Å; Q53-F347 HydrophobicContact CG-CZ 3.85Å; Q53-F347 VanDerWaalsContact OE1-CE2 3.24Å; Q53-G351 WeakPolarHBondContact O-CA 3.39Å
54	L	93.6	Very high	89.7	Confident	9 Å²	9	47.8 Å²	47.8	5%	0.047	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161	179	65.7	78.8	0	0	0	112.6	V49 E52 K56 E59 G351 R356	V49-L54 PolarHBondContact N-O 3.43Å; E52-L54 HydrophobicContact CB-CD2 4.35Å; E52-L54 HydrophobicContact CB-CG 3.94Å; E52-L54 PolarHBondContact O-N 2.99Å; L54-K56 HydrophobicContact CD1-CB 4.25Å; L54-K56 HydrophobicContact CD1-CD 4.14Å; L54-K56 PolarHBondContact O-N 3.14Å; L54-E59 HydrophobicContact CD1-CB 3.88Å; L54-E59 HydrophobicContact CD1-CG 4.33Å; L54-E59 HydrophobicContact CD2-CG 4.46Å; L54-G351 CarbonylContact C-O 3.46Å; L54-G351 WeakPolarHBondContact CA-O 3.35Å; L54-R356 HydrophobicContact CB-CG 4.45Å
55	H	93.4	Very high	89.7	Confident	34 Å²	34	43.2 Å²	43.2	16%	0.157	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	102.6	170.2	-167.1	-43.1	0	0	0	110.9	E46 G57 R58 E59 Y87 G351	E46-H55 PolarHBondContact O-CE1 2.83Å; H55-G57 PolarHBondContact ND1-N 3.02Å; H55-G57 PolarHBondContact O-N 2.68Å; H55-R58 HydrophobicContact CB-CB 4.32Å; H55-R58 HydrophobicContact CB-CG 4.33Å; H55-R58 PolarHBondContact ND1-N 3.39Å; H55-R58 PolarHBondContact O-N 3.29Å; H55-E59 PolarHBondContact O-N 2.87Å; H55-E59 VanDerWaalsContact O-N 3.11Å; H55-Y87 AromaticContact CE1-CE1 3.59Å; H55-Y87 AromaticContact CE1-CZ 3.51Å; H55-Y87 PolarHBondContact CE1-OH 3.16Å; H55-Y87 VanDerWaalsContact CE1-OH 3.25Å; H55-Y87 AromaticContact NE2-CE1 3.76Å; H55-G351 PolarHBondContact N-O 2.78Å
56	K	91.8	Very high	89.7	Confident	39 Å²	39	40.4 Å²	40.4	17%	0.17	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-41.7	-170.6	-170.1	70.6	170.5	-158.3	0	113.2	E46 G47 V49 L54 R58 E59 N60	E46-K56 HydrophobicContact CB-CB 4.23Å; E46-K56 HydrophobicContact CB-CG 4.44Å; G47-K56 PolarHBondContact O-N 3.37Å; V49-K56 HydrophobicContact CB-CB 4.46Å; V49-K56 HydrophobicContact CG2-CB 3.57Å; V49-K56 HydrophobicContact CG2-CG 4.18Å; L54-K56 HydrophobicContact CD1-CB 4.25Å; L54-K56 HydrophobicContact CD1-CD 4.14Å; L54-K56 PolarHBondContact O-N 3.14Å; K56-R58 PolarHBondContact O-N 3.01Å; K56-E59 PolarHBondContact O-N 2.95Å; K56-E59 VanDerWaalsContact O-N 3.15Å; K56-N60 PolarHBondContact O-N 3.35Å; K56-N60 PolarHBondContact O-OD1 2.82Å
57	G	90.9	Very high	89.4	Confident	5 Å²	5	40.2 Å²	40.2	5%	0.052	21%	0.214	C	C	.	.	H	α-helix	trans	-55.5	-51.4	175.5	0	0	0	0	0	112.7	E46 H55 E59 N60 I61	E46-G57 WeakPolarHBondContact O-CA 3.47Å; E46-G57 PolarHBondContact O-N 2.99Å; H55-G57 PolarHBondContact ND1-N 3.02Å; H55-G57 PolarHBondContact O-N 2.68Å; G57-E59 VanDerWaalsContact C-N 3.3Å; G57-E59 PolarHBondContact O-N 3.37Å; G57-N60 PolarHBondContact O-N 2.7Å; G57-I61 WeakPolarHBondContact O-CG1 3.16Å; G57-I61 PolarHBondContact O-N 3.23Å; G57-I61 VanDerWaalsContact O-N 3.08Å
58	R	91	Very high	89	Confident	59 Å²	59	39.3 Å²	39.3	22%	0.223	20%	0.203	C	C	.	.	H	α-helix	trans	-57.2	-43.5	175	-67.6	-173.9	-172.9	-148.6	9.5	112.1	H55 K56 I61 R62 Y87 D89	H55-R58 HydrophobicContact CB-CB 4.32Å; H55-R58 HydrophobicContact CB-CG 4.33Å; H55-R58 PolarHBondContact ND1-N 3.39Å; H55-R58 PolarHBondContact O-N 3.29Å; K56-R58 PolarHBondContact O-N 3.01Å; R58-I61 PolarHBondContact O-N 2.8Å; R58-R62 WeakPolarHBondContact O-CB 3.44Å; R58-R62 WeakPolarHBondContact O-CG 3.3Å; R58-R62 PolarHBondContact O-N 3.44Å; R58-Y87 HydrophobicContact CG-CD1 3.45Å; R58-Y87 VanDerWaalsContact CG-CD1 3.45Å; R58-Y87 HydrophobicContact CG-CE1 3.95Å; R58-Y87 HydrophobicContact CG-CG 3.79Å; R58-D89 IonicContact CZ-OD2 3.92Å; R58-D89 IonicContact NH1-OD1 3.56Å; R58-D89 IonicContact NH1-OD2 3.54Å; R58-D89 PolarHBondContact NH1-OD2 3.11Å
59	E	90.1	Very high	88.3	Confident	34 Å²	34	35 Å²	35	16%	0.159	19%	0.188	C	C	.	.	H	α-helix	trans	-66.9	-35.6	179.9	-164.8	60.2	-165.4	0	0	113.2	L54 H55 K56 G57 R62 L63	L54-E59 HydrophobicContact CD1-CB 3.88Å; L54-E59 HydrophobicContact CD1-CG 4.33Å; L54-E59 HydrophobicContact CD2-CG 4.46Å; H55-E59 PolarHBondContact O-N 2.87Å; H55-E59 VanDerWaalsContact O-N 3.11Å; K56-E59 PolarHBondContact O-N 2.95Å; K56-E59 VanDerWaalsContact O-N 3.15Å; G57-E59 VanDerWaalsContact C-N 3.3Å; G57-E59 PolarHBondContact O-N 3.37Å; E59-R62 WeakPolarHBondContact O-CB 3.27Å; E59-R62 VanDerWaalsContact OE2-CD 3.3Å; E59-R62 WeakPolarHBondContact OE2-CD 3.2Å; E59-R62 IonicContact OE2-CZ 3.18Å; E59-R62 IonicContact OE2-NH1 2.65Å; E59-R62 PolarHBondContact OE2-NH1 2.97Å; E59-L63 HydrophobicContact CG-CD1 4.44Å; E59-L63 WeakPolarHBondContact O-CG 3.41Å; E59-L63 PolarHBondContact O-N 3.05Å
60	N	88.8	Confident	87.5	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-65.4	-44.5	173.8	-64.5	-7.3	0	0	0	111.8	R20 I41 E46 K56 G57 R62 L63 A64	R20-N60 PolarHBondContact NE-OD1 3.16Å; R20-N60 PolarHBondContact NH2-OD1 3.16Å; I41-N60 WeakPolarHBondContact O-CB 3.47Å; I41-N60 PolarHBondContact O-ND2 3.47Å; E46-N60 PolarHBondContact OE2-ND2 3.45Å; K56-N60 PolarHBondContact O-N 3.35Å; K56-N60 PolarHBondContact O-OD1 2.82Å; G57-N60 PolarHBondContact O-N 2.7Å; N60-R62 VanDerWaalsContact C-N 3.35Å; N60-L63 PolarHBondContact O-N 3.16Å; N60-A64 WeakPolarHBondContact O-CB 3.36Å; N60-A64 PolarHBondContact O-N 3.34Å
61	I	88.1	Confident	86.9	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.015	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-48.1	177.7	-63.7	-43.9	0	0	0	110.1	I41 G57 R58 L63 A64 T65 C85 Y87 M91	I41-I61 HydrophobicContact CB-CD1 3.72Å; I41-I61 HydrophobicContact CD1-CD1 4.02Å; I41-I61 HydrophobicContact CG2-CD1 3.63Å; G57-I61 WeakPolarHBondContact O-CG1 3.16Å; G57-I61 PolarHBondContact O-N 3.23Å; G57-I61 VanDerWaalsContact O-N 3.08Å; R58-I61 PolarHBondContact O-N 2.8Å; I61-L63 PolarHBondContact O-N 2.87Å; I61-A64 PolarHBondContact O-N 3.16Å; I61-T65 WeakPolarHBondContact O-CB 3.23Å; I61-T65 PolarHBondContact O-N 3.18Å; I61-T65 PolarHBondContact O-OG1 3.4Å; I61-C85 HydrophobicContact CD1-CB 3.52Å; I61-C85 HydrophobicContact CG1-CB 4.16Å; I61-C85 HydrophobicContact CG2-CB 4.3Å; I61-Y87 HydrophobicContact CG1-CD2 3.77Å; I61-Y87 HydrophobicContact CG1-CG 4.47Å; I61-M91 HydrophobicContact CG2-CB 3.68Å; I61-M91 HydrophobicContact CG2-CG 4.12Å
62	R	86.5	Confident	86.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-49.4	-55	174.1	-78	175.6	-170	130.4	7.9	112.6	R58 E59 N60 S66 G90 H94 I352 T353	R58-R62 WeakPolarHBondContact O-CB 3.44Å; R58-R62 WeakPolarHBondContact O-CG 3.3Å; R58-R62 PolarHBondContact O-N 3.44Å; E59-R62 WeakPolarHBondContact O-CB 3.27Å; E59-R62 VanDerWaalsContact OE2-CD 3.3Å; E59-R62 WeakPolarHBondContact OE2-CD 3.2Å; E59-R62 IonicContact OE2-CZ 3.18Å; E59-R62 IonicContact OE2-NH1 2.65Å; E59-R62 PolarHBondContact OE2-NH1 2.97Å; N60-R62 VanDerWaalsContact C-N 3.35Å; R62-S66 WeakPolarHBondContact O-CB 3.42Å; R62-S66 PolarHBondContact O-N 3.4Å; R62-G90 WeakPolarHBondContact CG-O 3.37Å; R62-H94 HydrophobicContact CB-CB 4.29Å; R62-H94 WeakPolarHBondContact CB-CE1 3.39Å; R62-H94 VanDerWaalsContact CB-ND1 3.27Å; R62-H94 WeakPolarHBondContact CB-ND1 3.48Å; R62-H94 WeakPolarHBondContact CD-CE1 3.37Å; R62-H94 VanDerWaalsContact CG-CE1 3.42Å; R62-H94 WeakPolarHBondContact CG-CE1 3.44Å; R62-H94 WeakPolarHBondContact CG-ND1 3.41Å; R62-H94 WeakPolarHBondContact O-CB 3.5Å; R62-H94 PolarHBondContact O-CD2 3.2Å; R62-I352 PolarHBondContact NH2-O 2.72Å; R62-T353 PolarHBondContact NH1-O 3.4Å; R62-T353 PolarHBondContact NH2-O 3.38Å
63	L	83.9	Confident	85.6	Confident	46 Å²	46	25 Å²	25	24%	0.241	13%	0.129	C	C	.	.	H	α-helix	trans	-66.3	-46	-178.5	-68.6	172.2	0	0	0	112.3	E59 N60 I61 T65 S66 V67	E59-L63 HydrophobicContact CG-CD1 4.44Å; E59-L63 WeakPolarHBondContact O-CG 3.41Å; E59-L63 PolarHBondContact O-N 3.05Å; N60-L63 PolarHBondContact O-N 3.16Å; I61-L63 PolarHBondContact O-N 2.87Å; L63-T65 VanDerWaalsContact C-N 3.34Å; L63-T65 PolarHBondContact O-N 2.78Å; L63-S66 WeakPolarHBondContact O-CB 3.38Å; L63-S66 PolarHBondContact O-N 3Å; L63-V67 WeakPolarHBondContact O-CG2 3.42Å; L63-V67 PolarHBondContact O-N 2.85Å; L63-V67 VanDerWaalsContact O-N 3.15Å
64	A	84.4	Confident	85	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.7	-46.2	-179.9	0	0	0	0	0	111	V39 I41 N60 I61 V67 A68	V39-A64 HydrophobicContact CB-CB 4.04Å; V39-A64 HydrophobicContact CG2-CB 3.83Å; I41-A64 HydrophobicContact CG2-CB 4.01Å; N60-A64 WeakPolarHBondContact O-CB 3.36Å; N60-A64 PolarHBondContact O-N 3.34Å; I61-A64 PolarHBondContact O-N 3.16Å; A64-V67 PolarHBondContact O-N 2.79Å; A64-A68 PolarHBondContact O-N 2.79Å
65	T	82.3	Confident	84.5	Confident	5 Å²	5	30.9 Å²	30.9	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-40.2	178.4	-54.8	0	0	0	0	112	I61 L63 V67 A68 T69 M91 T95	I61-T65 WeakPolarHBondContact O-CB 3.23Å; I61-T65 PolarHBondContact O-N 3.18Å; I61-T65 PolarHBondContact O-OG1 3.4Å; L63-T65 VanDerWaalsContact C-N 3.34Å; L63-T65 PolarHBondContact O-N 2.78Å; T65-V67 VanDerWaalsContact C-N 3.28Å; T65-V67 PolarHBondContact O-N 3.2Å; T65-A68 PolarHBondContact O-N 3.29Å; T65-T69 HydrophobicContact CG2-CG2 4.18Å; T65-T69 WeakPolarHBondContact O-CG2 3.48Å; T65-T69 PolarHBondContact O-N 2.82Å; T65-T69 PolarHBondContact O-OG1 2.78Å; T65-M91 HydrophobicContact CG2-CE 3.89Å; T65-M91 HydrophobicContact CG2-CG 3.76Å; T65-M91 VanDerWaalsContact OG1-CE 3.28Å; T65-M91 WeakPolarHBondContact OG1-CE 3.32Å; T65-M91 WeakPolarHBondContact OG1-CG 3.37Å; T65-T95 WeakPolarHBondContact CG2-OG1 3.47Å
66	S	80.4	Confident	83.8	Confident	6 Å²	6	31.7 Å²	31.7	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-56.9	-41.9	175.9	-167.3	0	0	0	0	112.5	R62 L63 T69 A70	R62-S66 WeakPolarHBondContact O-CB 3.42Å; R62-S66 PolarHBondContact O-N 3.4Å; L63-S66 WeakPolarHBondContact O-CB 3.38Å; L63-S66 PolarHBondContact O-N 3Å; S66-T69 PolarHBondContact O-OG1 2.83Å; S66-A70 WeakPolarHBondContact O-CB 3.31Å; S66-A70 PolarHBondContact O-N 2.82Å; S66-A70 VanDerWaalsContact O-N 3.15Å
67	V	81.4	Confident	83.1	Confident	45 Å²	45	32.2 Å²	32.2	27%	0.273	19%	0.186	S	C	.	.	H	α-helix	trans	-70.2	-43.8	178.4	179.7	0	0	0	0	110.6	C23 L63 A64 T65 T69 A70 A71	C23-V67 HydrophobicContact CB-CG1 3.67Å; L63-V67 WeakPolarHBondContact O-CG2 3.42Å; L63-V67 PolarHBondContact O-N 2.85Å; L63-V67 VanDerWaalsContact O-N 3.15Å; A64-V67 PolarHBondContact O-N 2.79Å; T65-V67 VanDerWaalsContact C-N 3.28Å; T65-V67 PolarHBondContact O-N 3.2Å; V67-T69 PolarHBondContact O-N 2.99Å; V67-A70 PolarHBondContact O-N 2.78Å; V67-A71 WeakPolarHBondContact O-CB 3.44Å; V67-A71 PolarHBondContact O-N 3.4Å
68	A	82.6	Confident	82.2	Confident	13 Å²	13	38.7 Å²	38.7	11%	0.107	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-48.3	177.1	0	0	0	0	0	111.7	A37 V39 A64 T65 A70 A71 L72	A37-A68 HydrophobicContact CB-CB 4.24Å; V39-A68 HydrophobicContact CG1-CB 3.65Å; V39-A68 HydrophobicContact CG2-CB 4.33Å; A64-A68 PolarHBondContact O-N 2.79Å; T65-A68 PolarHBondContact O-N 3.29Å; A68-A70 VanDerWaalsContact C-N 3.34Å; A68-A70 PolarHBondContact O-N 2.9Å; A68-A71 PolarHBondContact O-N 3.46Å; A68-L72 WeakPolarHBondContact O-CG 3.35Å; A68-L72 PolarHBondContact O-N 2.91Å
69	T	79.1	Confident	81.3	Confident	15 Å²	15	40 Å²	40	9%	0.092	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-37.6	-178.8	49.2	0	0	0	0	112.5	T65 S66 V67 R73 T95 F101	T65-T69 HydrophobicContact CG2-CG2 4.18Å; T65-T69 WeakPolarHBondContact O-CG2 3.48Å; T65-T69 PolarHBondContact O-N 2.82Å; T65-T69 PolarHBondContact O-OG1 2.78Å; S66-T69 PolarHBondContact O-OG1 2.83Å; V67-T69 PolarHBondContact O-N 2.99Å; T69-R73 WeakPolarHBondContact O-CB 3.44Å; T69-R73 PolarHBondContact O-N 2.87Å; T69-T95 HydrophobicContact CG2-CG2 3.72Å; T69-F101 HydrophobicContact CG2-CE2 3.99Å
70	A	78.3	Confident	80.4	Confident	34 Å²	34	38.8 Å²	38.8	28%	0.281	22%	0.222	S	C	.	.	H	α-helix	trans	-63.9	-45.6	174.5	0	0	0	0	0	111.1	S66 V67 A68 L72 R73 D74	S66-A70 WeakPolarHBondContact O-CB 3.31Å; S66-A70 PolarHBondContact O-N 2.82Å; S66-A70 VanDerWaalsContact O-N 3.15Å; V67-A70 PolarHBondContact O-N 2.78Å; A68-A70 VanDerWaalsContact C-N 3.34Å; A68-A70 PolarHBondContact O-N 2.9Å; A70-L72 PolarHBondContact O-N 3.45Å; A70-R73 PolarHBondContact O-N 3.38Å; A70-D74 PolarHBondContact O-N 3.15Å
71	A	81.6	Confident	79.7	Confident	20 Å²	20	45.6 Å²	45.6	17%	0.165	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-42.6	178.4	0	0	0	0	0	112.7	L25 V67 A68 D74 V75	L25-A71 HydrophobicContact CD1-CB 4.35Å; L25-A71 HydrophobicContact CD2-CB 4.21Å; L25-A71 HydrophobicContact CG-CB 4.44Å; V67-A71 WeakPolarHBondContact O-CB 3.44Å; V67-A71 PolarHBondContact O-N 3.4Å; A68-A71 PolarHBondContact O-N 3.46Å; A71-D74 PolarHBondContact O-N 3.08Å; A71-V75 PolarHBondContact O-N 3.3Å
72	L	79.9	Confident	79	Confident	15 Å²	15	45.9 Å²	45.9	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-65.9	-38.7	177.3	-70.9	171.1	0	0	0	112.4	L25 T35 A37 A68 A70 V75 M77 V80 F101	L25-L72 HydrophobicContact CD2-CD2 4.25Å; T35-L72 HydrophobicContact CG2-CD2 4.1Å; A37-L72 HydrophobicContact CB-CD1 4.05Å; A37-L72 HydrophobicContact CB-CD2 3.82Å; A37-L72 HydrophobicContact CB-CG 3.77Å; A68-L72 WeakPolarHBondContact O-CG 3.35Å; A68-L72 PolarHBondContact O-N 2.91Å; A70-L72 PolarHBondContact O-N 3.45Å; L72-V75 WeakPolarHBondContact O-CG2 3.48Å; L72-V75 PolarHBondContact O-N 3.02Å; L72-M77 HydrophobicContact CB-CB 4.28Å; L72-M77 HydrophobicContact CB-CG 4.3Å; L72-M77 HydrophobicContact CD2-CG 4.13Å; L72-M77 WeakPolarHBondContact O-CB 3.34Å; L72-M77 WeakPolarHBondContact O-CG 3.49Å; L72-M77 PolarHBondContact O-N 2.72Å; L72-M77 VanDerWaalsContact O-N 3.08Å; L72-V80 HydrophobicContact CB-CG2 4.45Å; L72-V80 HydrophobicContact CD1-CB 4.48Å; L72-V80 HydrophobicContact CD1-CG1 3.62Å; L72-V80 HydrophobicContact CD1-CG2 3.95Å; L72-F101 HydrophobicContact CB-CZ 4.23Å
73	R	76.6	Confident	78.3	Confident	92 Å²	92	47.8 Å²	47.8	35%	0.347	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-44.8	173.8	176.8	-155.5	64.3	-165.4	-4.7	111.3	T69 A70 V75 G76 F101	T69-R73 WeakPolarHBondContact O-CB 3.44Å; T69-R73 PolarHBondContact O-N 2.87Å; A70-R73 PolarHBondContact O-N 3.38Å; R73-V75 PolarHBondContact O-N 2.9Å; R73-V75 VanDerWaalsContact O-N 3.14Å; R73-G76 WeakPolarHBondContact O-CA 3.34Å; R73-G76 PolarHBondContact O-N 2.91Å; R73-F101 HydrophobicContact CB-CZ 4.18Å
74	D	80.4	Confident	77.7	Confident	115 Å²	115	46.1 Å²	46.1	62%	0.615	25%	0.251	S	S	*	.	H	α-helix	trans	-64.1	-20.1	-175.5	-68.2	-7.5	0	0	0	112.6	A70 A71	A70-D74 PolarHBondContact O-N 3.15Å; A71-D74 PolarHBondContact O-N 3.08Å
75	V	83.1	Confident	77.2	Confident	68 Å²	68	47.3 Å²	47.3	41%	0.412	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	11.1	171.9	-57.6	0	0	0	0	113.9	L25 T35 A71 L72 R73 M77	L25-V75 HydrophobicContact CD1-CG1 3.73Å; T35-V75 HydrophobicContact CG2-CG2 4.27Å; A71-V75 PolarHBondContact O-N 3.3Å; L72-V75 WeakPolarHBondContact O-CG2 3.48Å; L72-V75 PolarHBondContact O-N 3.02Å; R73-V75 PolarHBondContact O-N 2.9Å; R73-V75 VanDerWaalsContact O-N 3.14Å; V75-M77 HydrophobicContact CG2-CE 4.46Å; V75-M77 HydrophobicContact CG2-CG 4.03Å
76	G	79.4	Confident	77.1	Confident	51 Å²	51	49.2 Å²	49.2	53%	0.526	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	16.7	171.7	0	0	0	0	0	115.7	R73	R73-G76 WeakPolarHBondContact O-CA 3.34Å; R73-G76 PolarHBondContact O-N 2.91Å
77	M	77	Confident	77.2	Confident	49 Å²	49	51.5 Å²	51.5	24%	0.241	29%	0.288	C	S	.	.			trans	-64.8	144.2	174.3	-62.8	-60.8	97.5	0	0	110.8	L72 V75 F101	L72-M77 HydrophobicContact CB-CB 4.28Å; L72-M77 HydrophobicContact CB-CG 4.3Å; L72-M77 HydrophobicContact CD2-CG 4.13Å; L72-M77 WeakPolarHBondContact O-CB 3.34Å; L72-M77 WeakPolarHBondContact O-CG 3.49Å; L72-M77 PolarHBondContact O-N 2.72Å; L72-M77 VanDerWaalsContact O-N 3.08Å; V75-M77 HydrophobicContact CG2-CE 4.46Å; V75-M77 HydrophobicContact CG2-CG 4.03Å; M77-F101 HydrophobicContact CB-CE1 4.49Å; M77-F101 VanDerWaalsContact O-CE1 3.26Å; M77-F101 WeakPolarHBondContact O-CE1 3.5Å
78	Q	71.4	Confident	77.3	Confident	141 Å²	141	49.5 Å²	49.5	66%	0.659	28%	0.276	S	S	*	.			trans	-117	-28.5	177.3	-63	-170.7	1.5	0	0	112.8	F101 P102	Q78-F101 WeakPolarHBondContact O-CD1 3.49Å; Q78-P102 VanDerWaalsContact O-CD 3.29Å; Q78-P102 WeakPolarHBondContact O-CD 3.3Å
79	D	71.5	Confident	77.4	Confident	86 Å²	86	49.3 Å²	49.3	46%	0.46	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.7	176.5	-58.2	-53.6	0	0	0	109.3	N103	D79-N103 VanDerWaalsContact OD1-CB 3.28Å; D79-N103 WeakPolarHBondContact OD1-CB 3.25Å; D79-N103 PolarHBondContact OD1-ND2 2.82Å
80	V	72.6	Confident	77.4	Confident	10 Å²	10	48.6 Å²	48.6	6%	0.061	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.4	-178	-179.8	0	0	0	0	110.7	L72 V82 F101 N103 F104 S105	L72-V80 HydrophobicContact CB-CG2 4.45Å; L72-V80 HydrophobicContact CD1-CB 4.48Å; L72-V80 HydrophobicContact CD1-CG1 3.62Å; L72-V80 HydrophobicContact CD1-CG2 3.95Å; V80-V82 HydrophobicContact CG1-CG2 3.82Å; V80-F101 HydrophobicContact CB-CD2 4.13Å; V80-F101 HydrophobicContact CB-CE2 4.35Å; V80-F101 HydrophobicContact CB-CG 4.27Å; V80-F101 HydrophobicContact CG2-CD1 3.64Å; V80-F101 HydrophobicContact CG2-CD2 3.67Å; V80-F101 HydrophobicContact CG2-CE1 3.53Å; V80-F101 HydrophobicContact CG2-CE2 3.59Å; V80-F101 HydrophobicContact CG2-CG 3.7Å; V80-F101 HydrophobicContact CG2-CZ 3.52Å; V80-N103 PolarHBondContact N-O 3.24Å; V80-F104 HydrophobicContact CB-CD1 4.45Å; V80-F104 HydrophobicContact CB-CE1 4.28Å; V80-S105 PolarHBondContact O-N 3.23Å
81	Y	73.5	Confident	77.6	Confident	144 Å²	144	47.6 Å²	47.6	57%	0.565	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	132	171	-67.7	-99.2	0	0	0	109.6	S105	Y81-S105 WeakPolarHBondContact CA-O 3.2Å
82	V	72.2	Confident	77.6	Confident	9 Å²	9	46.7 Å²	46.7	6%	0.055	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.6	-167.7	-173.1	0	0	0	0	110.5	V80 M91 F104 S105 W122	V80-V82 HydrophobicContact CG1-CG2 3.82Å; V82-M91 HydrophobicContact CB-CE 4.4Å; V82-M91 HydrophobicContact CG1-CE 2.96Å; V82-M91 HydrophobicContact CG1-CG 3.99Å; V82-M91 HydrophobicContact CG1-SD 3.18Å; V82-M91 WeakPolarHBondContact CG1-SD 3.24Å; V82-F104 HydrophobicContact CG2-CD1 3.82Å; V82-F104 HydrophobicContact CG2-CE1 4.2Å; V82-S105 PolarHBondContact N-O 2.84Å; V82-S105 VanDerWaalsContact N-O 3.14Å; V82-W122 HydrophobicContact CB-CH2 4.25Å; V82-W122 HydrophobicContact CB-CZ3 4.42Å; V82-W122 HydrophobicContact CG1-CH2 4.05Å; V82-W122 HydrophobicContact CG1-CZ3 3.91Å; V82-W122 HydrophobicContact CG2-CH2 4.26Å
83	D	72.9	Confident	77.5	Confident	39 Å²	39	46.1 Å²	46.1	21%	0.209	25%	0.248	C	C	.	.			trans	-79.3	122.9	169	-175.8	-25.2	0	0	0	109.2	C85 M91	D83-C85 PolarHBondContact O-N 2.89Å; D83-C85 PolarHBondContact O-SG 2.8Å; D83-C85 PolarHBondContact OD1-N 2.91Å; D83-M91 WeakPolarHBondContact O-CE 3.48Å
84	M	71.3	Confident	77.4	Confident	11 Å²	11	41.9 Å²	41.9	5%	0.054	23%	0.232	C	C	.	.			trans	-61.6	-12.6	-176	-66.6	175.1	174.2	0	0	115.6	G86 Y87 P88 F106 F115 A118 L119	M84-G86 PolarHBondContact O-N 2.98Å; M84-Y87 CarbonylContact O-C 3.59Å; M84-Y87 PolarHBondContact O-N 3.14Å; M84-Y87 VanDerWaalsContact O-N 3.16Å; M84-P88 HydrophobicContact CB-CB 4.29Å; M84-P88 HydrophobicContact CB-CG 4.08Å; M84-P88 HydrophobicContact CG-CB 4.33Å; M84-P88 HydrophobicContact CG-CG 4.45Å; M84-P88 HydrophobicContact SD-CG 4.48Å; M84-F106 HydrophobicContact CE-CB 3.9Å; M84-F106 HydrophobicContact CE-CD1 3.34Å; M84-F106 HydrophobicContact CE-CD2 4.09Å; M84-F106 HydrophobicContact CE-CE1 3.86Å; M84-F106 HydrophobicContact CE-CG 3.47Å; M84-F106 VanDerWaalsContact CE-CG 3.47Å; M84-F106 HydrophobicContact CE-CZ 4.41Å; M84-F106 HydrophobicContact CG-CD1 4.08Å; M84-F115 HydrophobicContact CE-CD2 4.22Å; M84-F115 HydrophobicContact CE-CE2 3.94Å; M84-A118 HydrophobicContact CE-CB 4.12Å; M84-A118 HydrophobicContact SD-CB 3.24Å; M84-A118 WeakPolarHBondContact SD-CB 3.48Å; M84-L119 HydrophobicContact CE-CD2 3.84Å; M84-L119 HydrophobicContact CE-CG 4.25Å
85	C	73.3	Confident	76.9	Confident	26 Å²	26	36.5 Å²	36.5	18%	0.176	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	26.1	169.5	-64	0	0	0	0	116.4	I61 D83 Y87	I61-C85 HydrophobicContact CD1-CB 3.52Å; I61-C85 HydrophobicContact CG1-CB 4.16Å; I61-C85 HydrophobicContact CG2-CB 4.3Å; D83-C85 PolarHBondContact O-N 2.89Å; D83-C85 PolarHBondContact O-SG 2.8Å; D83-C85 PolarHBondContact OD1-N 2.91Å; C85-Y87 PolarHBondContact O-N 3.34Å
86	G	80.7	Confident	76.3	Confident	45 Å²	45	34.5 Å²	34.5	46%	0.464	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-15.1	-179.2	0	0	0	0	0	116.1	M84	M84-G86 PolarHBondContact O-N 2.98Å
87	Y	82.9	Confident	75.5	Confident	53 Å²	53	32.8 Å²	32.8	21%	0.208	17%	0.167	C	C	.	.			trans	-133	70.5	178.5	-58.6	-75	0	0	0	111.7	H55 R58 I61 M84 C85 D89 G90 M91	H55-Y87 AromaticContact CE1-CE1 3.59Å; H55-Y87 AromaticContact CE1-CZ 3.51Å; H55-Y87 PolarHBondContact CE1-OH 3.16Å; H55-Y87 VanDerWaalsContact CE1-OH 3.25Å; H55-Y87 AromaticContact NE2-CE1 3.76Å; R58-Y87 HydrophobicContact CG-CD1 3.45Å; R58-Y87 VanDerWaalsContact CG-CD1 3.45Å; R58-Y87 HydrophobicContact CG-CE1 3.95Å; R58-Y87 HydrophobicContact CG-CG 3.79Å; I61-Y87 HydrophobicContact CG1-CD2 3.77Å; I61-Y87 HydrophobicContact CG1-CG 4.47Å; M84-Y87 CarbonylContact O-C 3.59Å; M84-Y87 PolarHBondContact O-N 3.14Å; M84-Y87 VanDerWaalsContact O-N 3.16Å; C85-Y87 PolarHBondContact O-N 3.34Å; Y87-D89 PolarHBondContact O-N 2.71Å; Y87-G90 PolarHBondContact O-N 3.44Å; Y87-M91 PolarHBondContact O-N 3.45Å
88	P	83.4	Confident	74.5	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.019	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-31.9	-173	-13.3	21.2	0	0	0	113.6	M84 M91 A92 A118 L121 W122	M84-P88 HydrophobicContact CB-CB 4.29Å; M84-P88 HydrophobicContact CB-CG 4.08Å; M84-P88 HydrophobicContact CG-CB 4.33Å; M84-P88 HydrophobicContact CG-CG 4.45Å; M84-P88 HydrophobicContact SD-CG 4.48Å; P88-M91 WeakPolarHBondContact O-CB 3.34Å; P88-A92 WeakPolarHBondContact O-CB 3.43Å; P88-A92 PolarHBondContact O-N 3.1Å; P88-A118 WeakPolarHBondContact CB-O 3.41Å; P88-A118 HydrophobicContact CG-CB 3.69Å; P88-L121 HydrophobicContact CB-CB 4.07Å; P88-L121 HydrophobicContact CG-CB 4.09Å; P88-L121 HydrophobicContact CG-CD1 4.41Å; P88-W122 HydrophobicContact CB-CB 4.13Å
89	D	83.2	Confident	73.6	Confident	10 Å²	10	29.2 Å²	29.2	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-68.2	-46.9	177.6	65.5	-49.9	0	0	0	112.1	R58 Y87 M91 Q93 L121 G125	R58-D89 IonicContact CZ-OD2 3.92Å; R58-D89 IonicContact NH1-OD1 3.56Å; R58-D89 IonicContact NH1-OD2 3.54Å; R58-D89 PolarHBondContact NH1-OD2 3.11Å; Y87-D89 PolarHBondContact O-N 2.71Å; D89-M91 VanDerWaalsContact C-N 3.26Å; D89-M91 PolarHBondContact O-N 3.05Å; D89-Q93 WeakPolarHBondContact O-CG 3.39Å; D89-Q93 PolarHBondContact O-N 2.99Å; D89-Q93 VanDerWaalsContact O-N 3.13Å; D89-L121 VanDerWaalsContact CA-O 3.23Å; D89-L121 WeakPolarHBondContact CA-O 3.36Å; D89-L121 HydrophobicContact CB-CB 4.24Å; D89-L121 VanDerWaalsContact CB-O 3.29Å; D89-L121 WeakPolarHBondContact CB-O 3.48Å; D89-G125 WeakPolarHBondContact O-CA 3.16Å
90	G	80.3	Confident	72.9	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-39.6	175.5	0	0	0	0	0	111	R62 Y87 Q93	R62-G90 WeakPolarHBondContact CG-O 3.37Å; Y87-G90 PolarHBondContact O-N 3.44Å; G90-Q93 WeakPolarHBondContact O-CB 3.44Å; G90-Q93 PolarHBondContact O-N 3.47Å
91	M	81.9	Confident	72	Confident	13 Å²	13	29.8 Å²	29.8	6%	0.064	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-54.8	177.3	-167.3	168.6	-150.8	0	0	113	I61 T65 V82 D83 Y87 P88 D89 Q93 H94 T95 W122	I61-M91 HydrophobicContact CG2-CB 3.68Å; I61-M91 HydrophobicContact CG2-CG 4.12Å; T65-M91 HydrophobicContact CG2-CE 3.89Å; T65-M91 HydrophobicContact CG2-CG 3.76Å; T65-M91 VanDerWaalsContact OG1-CE 3.28Å; T65-M91 WeakPolarHBondContact OG1-CE 3.32Å; T65-M91 WeakPolarHBondContact OG1-CG 3.37Å; V82-M91 HydrophobicContact CB-CE 4.4Å; V82-M91 HydrophobicContact CG1-CE 2.96Å; V82-M91 HydrophobicContact CG1-CG 3.99Å; V82-M91 HydrophobicContact CG1-SD 3.18Å; V82-M91 WeakPolarHBondContact CG1-SD 3.24Å; D83-M91 WeakPolarHBondContact O-CE 3.48Å; Y87-M91 PolarHBondContact O-N 3.45Å; P88-M91 WeakPolarHBondContact O-CB 3.34Å; D89-M91 VanDerWaalsContact C-N 3.26Å; D89-M91 PolarHBondContact O-N 3.05Å; M91-Q93 PolarHBondContact O-N 3.08Å; M91-H94 PolarHBondContact O-N 2.87Å; M91-H94 VanDerWaalsContact O-N 3.13Å; M91-T95 PolarHBondContact O-N 2.77Å; M91-T95 PolarHBondContact O-OG1 3.36Å; M91-W122 HydrophobicContact CB-CZ3 4.13Å; M91-W122 HydrophobicContact CG-CZ3 3.84Å; M91-W122 HydrophobicContact SD-CZ3 4.11Å
92	A	81.6	Confident	70.7	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-56.4	-37.5	179.2	0	0	0	0	0	111.3	P88 H94 T95 M96 W122 R126	P88-A92 WeakPolarHBondContact O-CB 3.43Å; P88-A92 PolarHBondContact O-N 3.1Å; A92-H94 VanDerWaalsContact C-N 3.29Å; A92-H94 PolarHBondContact O-N 3.19Å; A92-T95 PolarHBondContact O-N 2.9Å; A92-M96 WeakPolarHBondContact O-CB 3.27Å; A92-M96 WeakPolarHBondContact O-CG 3.5Å; A92-M96 PolarHBondContact O-N 2.74Å; A92-M96 VanDerWaalsContact O-N 3.07Å; A92-W122 HydrophobicContact CB-CD2 3.63Å; A92-W122 HydrophobicContact CB-CE3 3.66Å; A92-W122 HydrophobicContact CB-CG 4.14Å; A92-W122 HydrophobicContact CB-CH2 4.32Å; A92-W122 HydrophobicContact CB-CZ2 4.28Å; A92-W122 HydrophobicContact CB-CZ3 4.03Å; A92-W122 VanDerWaalsContact CB-O 3.24Å; A92-W122 WeakPolarHBondContact CB-O 3.33Å; A92-R126 HydrophobicContact CB-CB 4.43Å
93	Q	78.2	Confident	69.8	Low	3 Å²	3	31.5 Å²	31.5	1%	0.014	19%	0.186	C	C	.	.	H	α-helix	trans	-58.1	-39.7	-179.8	-75.9	163.4	10.5	0	0	113	D89 G90 M91 R97 G125 L128 A129	D89-Q93 WeakPolarHBondContact O-CG 3.39Å; D89-Q93 PolarHBondContact O-N 2.99Å; D89-Q93 VanDerWaalsContact O-N 3.13Å; G90-Q93 WeakPolarHBondContact O-CB 3.44Å; G90-Q93 PolarHBondContact O-N 3.47Å; M91-Q93 PolarHBondContact O-N 3.08Å; Q93-R97 WeakPolarHBondContact O-CB 3.28Å; Q93-R97 WeakPolarHBondContact O-CD 3.41Å; Q93-R97 WeakPolarHBondContact O-CG 3.39Å; Q93-R97 PolarHBondContact O-N 3.07Å; Q93-G125 WeakPolarHBondContact CG-O 3.13Å; Q93-L128 HydrophobicContact CG-CB 4.37Å; Q93-A129 WeakPolarHBondContact O-CB 3.3Å
94	H	74.6	Confident	69.2	Low	4 Å²	4	31.5 Å²	31.5	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-93.7	-29.7	-177.3	-78.2	56.7	0	0	0	113.7	R62 M91 A92 M96 R97	R62-H94 HydrophobicContact CB-CB 4.29Å; R62-H94 WeakPolarHBondContact CB-CE1 3.39Å; R62-H94 VanDerWaalsContact CB-ND1 3.27Å; R62-H94 WeakPolarHBondContact CB-ND1 3.48Å; R62-H94 WeakPolarHBondContact CD-CE1 3.37Å; R62-H94 VanDerWaalsContact CG-CE1 3.42Å; R62-H94 WeakPolarHBondContact CG-CE1 3.44Å; R62-H94 WeakPolarHBondContact CG-ND1 3.41Å; R62-H94 WeakPolarHBondContact O-CB 3.5Å; R62-H94 PolarHBondContact O-CD2 3.2Å; M91-H94 PolarHBondContact O-N 2.87Å; M91-H94 VanDerWaalsContact O-N 3.13Å; A92-H94 VanDerWaalsContact C-N 3.29Å; A92-H94 PolarHBondContact O-N 3.19Å; H94-M96 PolarHBondContact O-N 2.96Å; H94-R97 VanDerWaalsContact CE1-CZ 3.44Å; H94-R97 PolarHBondContact CE1-NH1 3.37Å; H94-R97 PolarHBondContact NE2-NH1 3.38Å; H94-R97 PolarHBondContact O-N 3.26Å; H94-R97 VanDerWaalsContact O-N 3.16Å
95	T	70.4	Confident	68.5	Low	1 Å²	1	33.3 Å²	33.3	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-54	-43.5	169.3	-47.7	0	0	0	0	110.5	T65 T69 M91 A92 F104 W122	T65-T95 WeakPolarHBondContact CG2-OG1 3.47Å; T69-T95 HydrophobicContact CG2-CG2 3.72Å; M91-T95 PolarHBondContact O-N 2.77Å; M91-T95 PolarHBondContact O-OG1 3.36Å; A92-T95 PolarHBondContact O-N 2.9Å; T95-F104 HydrophobicContact CG2-CD1 4.12Å; T95-F104 HydrophobicContact CG2-CE1 3.14Å; T95-F104 HydrophobicContact CG2-CE2 4.31Å; T95-F104 HydrophobicContact CG2-CZ 3.24Å; T95-W122 HydrophobicContact CG2-CH2 4.21Å
96	M	70	Confident	68.1	Low	26 Å²	26	34.2 Å²	34.2	13%	0.128	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.2	-178.1	-66.3	-54.2	-137.3	0	0	114.3	A92 H94 G98 P100 F104 R126 A129 N133	A92-M96 WeakPolarHBondContact O-CB 3.27Å; A92-M96 WeakPolarHBondContact O-CG 3.5Å; A92-M96 PolarHBondContact O-N 2.74Å; A92-M96 VanDerWaalsContact O-N 3.07Å; H94-M96 PolarHBondContact O-N 2.96Å; M96-G98 VanDerWaalsContact C-N 3.31Å; M96-G98 PolarHBondContact O-N 2.82Å; M96-P100 HydrophobicContact CE-CB 4.23Å; M96-P100 HydrophobicContact SD-CB 3.91Å; M96-F104 HydrophobicContact CE-CD2 4.28Å; M96-F104 HydrophobicContact CE-CE2 3.88Å; M96-F104 HydrophobicContact SD-CE2 3.66Å; M96-F104 HydrophobicContact SD-CZ 4.19Å; M96-R126 HydrophobicContact CE-CG 3.5Å; M96-R126 HydrophobicContact CG-CG 4.14Å; M96-A129 HydrophobicContact CB-CB 3.65Å; M96-N133 PolarHBondContact O-ND2 3.11Å
97	R	63.7	Low	67	Low	16 Å²	16	34.9 Å²	34.9	6%	0.06	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-12.2	-172.9	-98.8	169	178.3	-147.9	-6.2	114.9	Q93 H94 Q132 R136 Y425	Q93-R97 WeakPolarHBondContact O-CB 3.28Å; Q93-R97 WeakPolarHBondContact O-CD 3.41Å; Q93-R97 WeakPolarHBondContact O-CG 3.39Å; Q93-R97 PolarHBondContact O-N 3.07Å; H94-R97 VanDerWaalsContact CE1-CZ 3.44Å; H94-R97 PolarHBondContact CE1-NH1 3.37Å; H94-R97 PolarHBondContact NE2-NH1 3.38Å; H94-R97 PolarHBondContact O-N 3.26Å; H94-R97 VanDerWaalsContact O-N 3.16Å; R97-Q132 VanDerWaalsContact NH2-NE2 3.16Å; R97-R136 PolarHBondContact O-NH1 3.13Å; R97-Y425 HydrophobicContact CB-CD1 4.37Å; R97-Y425 HydrophobicContact CB-CE1 3.89Å; R97-Y425 HydrophobicContact CG-CE1 4.29Å; R97-Y425 WeakPolarHBondContact O-CD1 3.33Å
98	G	54.4	Low	65.7	Low	25 Å²	25	40.1 Å²	40.1	26%	0.258	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-59.1	177.6	0	0	0	0	0	111.2	M96	M96-G98 VanDerWaalsContact C-N 3.31Å; M96-G98 PolarHBondContact O-N 2.82Å
99	F	53.3	Low	64.4	Low	89 Å²	89	41.1 Å²	41.1	39%	0.39	23%	0.229	S	C	.	.			trans	-163.8	130.6	-177.7	-72	-84.8	0	0	0	108.1	F101 N426	F99-F101 PolarHBondContact O-N 3.43Å; F99-N426 HydrophobicContact CE2-CB 4.32Å; F99-N426 WeakPolarHBondContact CE2-OD1 3.42Å; F99-N426 HydrophobicContact CZ-CB 3.94Å; F99-N426 VanDerWaalsContact CZ-ND2 3.26Å; F99-N426 WeakPolarHBondContact CZ-ND2 3.45Å; F99-N426 VanDerWaalsContact CZ-OD1 3.24Å; F99-N426 WeakPolarHBondContact CZ-OD1 3.3Å
100	P	55.6	Low	63.2	Low	89 Å²	89	48.2 Å²	48.2	58%	0.578	27%	0.267	S	S	*	.			trans	-67.5	119.7	171.8	28	-30.3	0	0	0	108.3	M96	M96-P100 HydrophobicContact CE-CB 4.23Å; M96-P100 HydrophobicContact SD-CB 3.91Å
101	F	54.6	Low	62.9	Low	19 Å²	19	52 Å²	52	8%	0.083	29%	0.287	C	S	.	.			trans	-59.6	136.2	155.9	-68.9	-81.6	0	0	0	107.1	T69 L72 R73 M77 Q78 V80 F99 N103 F104	T69-F101 HydrophobicContact CG2-CE2 3.99Å; L72-F101 HydrophobicContact CB-CZ 4.23Å; R73-F101 HydrophobicContact CB-CZ 4.18Å; M77-F101 HydrophobicContact CB-CE1 4.49Å; M77-F101 VanDerWaalsContact O-CE1 3.26Å; M77-F101 WeakPolarHBondContact O-CE1 3.5Å; Q78-F101 WeakPolarHBondContact O-CD1 3.49Å; V80-F101 HydrophobicContact CB-CD2 4.13Å; V80-F101 HydrophobicContact CB-CE2 4.35Å; V80-F101 HydrophobicContact CB-CG 4.27Å; V80-F101 HydrophobicContact CG2-CD1 3.64Å; V80-F101 HydrophobicContact CG2-CD2 3.67Å; V80-F101 HydrophobicContact CG2-CE1 3.53Å; V80-F101 HydrophobicContact CG2-CE2 3.59Å; V80-F101 HydrophobicContact CG2-CG 3.7Å; V80-F101 HydrophobicContact CG2-CZ 3.52Å; F99-F101 PolarHBondContact O-N 3.43Å; F101-N103 PolarHBondContact O-N 3.41Å; F101-F104 HydrophobicContact CB-CE1 4Å; F101-F104 HydrophobicContact CB-CE2 3.94Å; F101-F104 HydrophobicContact CB-CZ 3.62Å; F101-F104 AromaticContact CD2-CE1 3.75Å; F101-F104 HydrophobicContact CD2-CE1 3.75Å; F101-F104 AromaticContact CD2-CZ 3.63Å; F101-F104 HydrophobicContact CD2-CZ 3.63Å; F101-F104 HydrophobicContact CG-CE1 4.29Å; F101-F104 HydrophobicContact CG-CZ 4.11Å; F101-F104 WeakPolarHBondContact O-CE2 3.16Å
102	P	47.2	Very low	62.6	Low	95 Å²	95	53.2 Å²	53.2	62%	0.617	30%	0.3	S	S	*	.	S	Bend	trans	-57.1	-35.5	-178.1	19.4	-32.1	0	0	0	112.2	Q78	Q78-P102 VanDerWaalsContact O-CD 3.29Å; Q78-P102 WeakPolarHBondContact O-CD 3.3Å
103	N	53	Low	62.4	Low	94 Å²	94	62.3 Å²	62.3	50%	0.503	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.4	178.2	-48.9	-58.5	0	0	0	112	D79 V80 F101	D79-N103 VanDerWaalsContact OD1-CB 3.28Å; D79-N103 WeakPolarHBondContact OD1-CB 3.25Å; D79-N103 PolarHBondContact OD1-ND2 2.82Å; V80-N103 PolarHBondContact N-O 3.24Å; F101-N103 PolarHBondContact O-N 3.41Å
104	F	58.9	Low	62.4	Low	39 Å²	39	67.3 Å²	67.3	17%	0.171	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134	167.6	-71.4	-77.8	0	0	0	109.7	V80 V82 T95 M96 F101 W122	V80-F104 HydrophobicContact CB-CD1 4.45Å; V80-F104 HydrophobicContact CB-CE1 4.28Å; V82-F104 HydrophobicContact CG2-CD1 3.82Å; V82-F104 HydrophobicContact CG2-CE1 4.2Å; T95-F104 HydrophobicContact CG2-CD1 4.12Å; T95-F104 HydrophobicContact CG2-CE1 3.14Å; T95-F104 HydrophobicContact CG2-CE2 4.31Å; T95-F104 HydrophobicContact CG2-CZ 3.24Å; M96-F104 HydrophobicContact CE-CD2 4.28Å; M96-F104 HydrophobicContact CE-CE2 3.88Å; M96-F104 HydrophobicContact SD-CE2 3.66Å; M96-F104 HydrophobicContact SD-CZ 4.19Å; F101-F104 HydrophobicContact CB-CE1 4Å; F101-F104 HydrophobicContact CB-CE2 3.94Å; F101-F104 HydrophobicContact CB-CZ 3.62Å; F101-F104 AromaticContact CD2-CE1 3.75Å; F101-F104 HydrophobicContact CD2-CE1 3.75Å; F101-F104 AromaticContact CD2-CZ 3.63Å; F101-F104 HydrophobicContact CD2-CZ 3.63Å; F101-F104 HydrophobicContact CG-CE1 4.29Å; F101-F104 HydrophobicContact CG-CZ 4.11Å; F101-F104 WeakPolarHBondContact O-CE2 3.16Å; F104-W122 HydrophobicContact CB-CZ2 4.29Å; F104-W122 HydrophobicContact CD1-CH2 4.45Å; F104-W122 HydrophobicContact CD1-CZ2 4.24Å; F104-W122 HydrophobicContact CD2-CZ2 4.5Å; F104-W122 HydrophobicContact CG-CZ2 4.08Å
105	S	58.1	Low	62.6	Low	49 Å²	49	68.9 Å²	68.9	34%	0.343	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150	172.9	-73.3	0	0	0	0	110	V80 Y81 V82	V80-S105 PolarHBondContact O-N 3.23Å; Y81-S105 WeakPolarHBondContact CA-O 3.2Å; V82-S105 PolarHBondContact N-O 2.84Å; V82-S105 VanDerWaalsContact N-O 3.14Å
106	F	63.5	Low	63.2	Low	45 Å²	45	76.1 Å²	76.1	20%	0.197	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.7	-179	-57.3	-75.2	0	0	0	110.6	M84 Y108 F115 L119 W122	M84-F106 HydrophobicContact CE-CB 3.9Å; M84-F106 HydrophobicContact CE-CD1 3.34Å; M84-F106 HydrophobicContact CE-CD2 4.09Å; M84-F106 HydrophobicContact CE-CE1 3.86Å; M84-F106 HydrophobicContact CE-CG 3.47Å; M84-F106 VanDerWaalsContact CE-CG 3.47Å; M84-F106 HydrophobicContact CE-CZ 4.41Å; M84-F106 HydrophobicContact CG-CD1 4.08Å; F106-Y108 PolarHBondContact O-N 2.91Å; F106-F115 HydrophobicContact CB-CE2 3.85Å; F106-F115 HydrophobicContact CB-CZ 4.13Å; F106-L119 HydrophobicContact CD2-CD2 3.42Å; F106-L119 VanDerWaalsContact CD2-CD2 3.42Å; F106-L119 HydrophobicContact CE2-CD2 3.4Å; F106-L119 HydrophobicContact CG-CD2 4.21Å; F106-L119 HydrophobicContact CZ-CD2 4.16Å; F106-W122 HydrophobicContact CE1-CB 4.43Å; F106-W122 AromaticContact CE1-CD2 3.39Å; F106-W122 HydrophobicContact CE1-CD2 3.39Å; F106-W122 AromaticContact CE1-CE2 3.68Å; F106-W122 AromaticContact CE1-CE3 3.58Å; F106-W122 HydrophobicContact CE1-CE3 3.58Å; F106-W122 AromaticContact CE1-CG 3.78Å; F106-W122 HydrophobicContact CE1-CG 3.78Å; F106-W122 HydrophobicContact CE1-CH2 4.21Å; F106-W122 HydrophobicContact CE1-CZ2 4.08Å; F106-W122 AromaticContact CE1-CZ3 3.98Å; F106-W122 HydrophobicContact CE1-CZ3 3.98Å; F106-W122 HydrophobicContact CZ-CB 4.22Å; F106-W122 AromaticContact CZ-CD1 3.46Å; F106-W122 VanDerWaalsContact CZ-CD1 3.46Å; F106-W122 AromaticContact CZ-CD2 3.43Å; F106-W122 HydrophobicContact CZ-CD2 3.43Å; F106-W122 VanDerWaalsContact CZ-CD2 3.43Å; F106-W122 AromaticContact CZ-CE2 3.45Å; F106-W122 VanDerWaalsContact CZ-CE2 3.45Å; F106-W122 HydrophobicContact CZ-CE3 4.12Å; F106-W122 AromaticContact CZ-CG 3.43Å; F106-W122 HydrophobicContact CZ-CG 3.43Å; F106-W122 VanDerWaalsContact CZ-CG 3.43Å; F106-W122 HydrophobicContact CZ-CZ2 4.12Å; F106-W122 AromaticContact CZ-NE1 3.48Å
107	A	59.4	Low	63.9	Low	60 Å²	60	78.2 Å²	78.2	50%	0.496	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-62.4	125.1	163.8	0	0	0	0	0	108.6	A109	A107-A109 PolarHBondContact O-N 2.9Å
108	Y	54.4	Low	64.9	Low	163 Å²	163	77.6 Å²	77.6	64%	0.639	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-59.4	127.6	-178.8	-171.6	-96.4	0	0	0	110.3	F106	F106-Y108 PolarHBondContact O-N 2.91Å
109	A	57.1	Low	66.4	Low	24 Å²	24	79.1 Å²	79.1	20%	0.198	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-88.4	132.6	169.3	0	0	0	0	0	109.2	A107 D111 Y114 F115	A107-A109 PolarHBondContact O-N 2.9Å; A109-D111 PolarHBondContact O-N 2.95Å; A109-Y114 HydrophobicContact CB-CD1 3.95Å; A109-Y114 HydrophobicContact CB-CE1 4.4Å; A109-F115 HydrophobicContact CB-CB 4.26Å; A109-F115 HydrophobicContact CB-CD2 4.09Å
110	N	57.1	Low	68.1	Low	159 Å²	159	82.8 Å²	82.8	85%	0.85	42%	0.421	S	S	*	.	S	Bend	trans	-57.7	-20.7	-179.4	-69.3	-10.3	0	0	0	113.9
111	D	73.3	Confident	69.7	Low	78 Å²	78	81.7 Å²	81.7	42%	0.417	41%	0.41	S	S	.	.			trans	-98.8	108.5	174.3	-178.1	-11.7	0	0	0	111	A109 R113 Y114 F115	A109-D111 PolarHBondContact O-N 2.95Å; D111-R113 VanDerWaalsContact C-N 3.29Å; D111-R113 PolarHBondContact O-N 2.9Å; D111-R113 WeakPolarHBondContact OD1-CB 3.36Å; D111-R113 PolarHBondContact OD1-N 3.18Å; D111-Y114 PolarHBondContact O-N 3.32Å; D111-Y114 PolarHBondContact OD1-N 3.48Å; D111-F115 WeakPolarHBondContact O-CB 3.49Å; D111-F115 PolarHBondContact O-N 3.45Å
112	A	76.9	Confident	71.4	Confident	40 Å²	40	81.4 Å²	81.4	33%	0.331	41%	0.408	S	S	.	.	H	α-helix	trans	-62.2	-30.3	179.4	0	0	0	0	0	113.9	R116	A112-R116 WeakPolarHBondContact O-CG 3.45Å; A112-R116 PolarHBondContact O-N 3.33Å
113	R	78	Confident	73.4	Confident	191 Å²	191	80.1 Å²	80.1	72%	0.721	40%	0.396	S	S	*	.	H	α-helix	trans	-71.2	-47.4	177.2	-72	-172.2	-67.6	-179.4	-3.3	110.5	D111 F115 R116 S117	D111-R113 VanDerWaalsContact C-N 3.29Å; D111-R113 PolarHBondContact O-N 2.9Å; D111-R113 WeakPolarHBondContact OD1-CB 3.36Å; D111-R113 PolarHBondContact OD1-N 3.18Å; R113-F115 VanDerWaalsContact C-N 3.31Å; R113-F115 PolarHBondContact O-N 3.03Å; R113-R116 PolarHBondContact O-N 2.94Å; R113-S117 PolarHBondContact O-N 3.24Å
114	Y	77.6	Confident	75.3	Confident	108 Å²	108	79 Å²	79	42%	0.424	39%	0.385	S	S	.	.	H	α-helix	trans	-57.9	-46.9	173.9	176.5	-97	0	0	0	110.7	A109 D111 R116 S117 A118	A109-Y114 HydrophobicContact CB-CD1 3.95Å; A109-Y114 HydrophobicContact CB-CE1 4.4Å; D111-Y114 PolarHBondContact O-N 3.32Å; D111-Y114 PolarHBondContact OD1-N 3.48Å; Y114-R116 PolarHBondContact O-N 2.82Å; Y114-S117 PolarHBondContact O-N 2.91Å; Y114-A118 HydrophobicContact CE1-CB 4.45Å; Y114-A118 VanDerWaalsContact O-CB 3.27Å; Y114-A118 WeakPolarHBondContact O-CB 3.42Å; Y114-A118 PolarHBondContact O-N 3.19Å
115	F	79.2	Confident	76.9	Confident	37 Å²	37	77.1 Å²	77.1	16%	0.162	38%	0.377	C	S	.	.	H	α-helix	trans	-58.1	-47.5	178.9	-169.5	-110.8	0	0	0	112.4	M84 F106 A109 D111 R113 S117 A118 L119	M84-F115 HydrophobicContact CE-CD2 4.22Å; M84-F115 HydrophobicContact CE-CE2 3.94Å; F106-F115 HydrophobicContact CB-CE2 3.85Å; F106-F115 HydrophobicContact CB-CZ 4.13Å; A109-F115 HydrophobicContact CB-CB 4.26Å; A109-F115 HydrophobicContact CB-CD2 4.09Å; D111-F115 WeakPolarHBondContact O-CB 3.49Å; D111-F115 PolarHBondContact O-N 3.45Å; R113-F115 VanDerWaalsContact C-N 3.31Å; R113-F115 PolarHBondContact O-N 3.03Å; F115-S117 PolarHBondContact O-N 3.39Å; F115-A118 PolarHBondContact O-N 3.15Å; F115-L119 HydrophobicContact CD1-CD1 3.78Å; F115-L119 HydrophobicContact CD1-CG 4.27Å; F115-L119 HydrophobicContact CE1-CD1 3.48Å; F115-L119 VanDerWaalsContact CE1-CD1 3.48Å; F115-L119 HydrophobicContact CE1-CD2 4.4Å; F115-L119 HydrophobicContact CE1-CG 4.05Å; F115-L119 HydrophobicContact CZ-CD1 4.08Å; F115-L119 HydrophobicContact CZ-CD2 4.16Å; F115-L119 HydrophobicContact CZ-CG 4.22Å; F115-L119 WeakPolarHBondContact O-CG 3.27Å; F115-L119 PolarHBondContact O-N 2.85Å
116	R	83	Confident	78.5	Confident	152 Å²	152	79.2 Å²	79.2	57%	0.574	38%	0.377	S	S	*	.	H	α-helix	trans	-61	-43.5	176.5	-77.2	-170.8	-67.1	-108.8	3.7	113	A112 R113 Y114 A118 L119 K120	A112-R116 WeakPolarHBondContact O-CG 3.45Å; A112-R116 PolarHBondContact O-N 3.33Å; R113-R116 PolarHBondContact O-N 2.94Å; Y114-R116 PolarHBondContact O-N 2.82Å; R116-A118 VanDerWaalsContact C-N 3.3Å; R116-A118 PolarHBondContact O-N 2.79Å; R116-L119 PolarHBondContact O-N 2.77Å; R116-K120 PolarHBondContact O-N 2.83Å
117	S	84.7	Confident	79.9	Confident	70 Å²	70	77.8 Å²	77.8	49%	0.49	37%	0.371	S	S	.	.	H	α-helix	trans	-63.1	-40.7	176.6	-172.2	0	0	0	0	111.3	R113 Y114 F115 K120 L121	R113-S117 PolarHBondContact O-N 3.24Å; Y114-S117 PolarHBondContact O-N 2.91Å; F115-S117 PolarHBondContact O-N 3.39Å; S117-K120 PolarHBondContact O-N 2.76Å; S117-L121 PolarHBondContact O-N 2.96Å; S117-L121 VanDerWaalsContact O-N 3.12Å
118	A	84.7	Confident	81.6	Confident	3 Å²	3	75 Å²	75	3%	0.025	35%	0.348	C	S	.	.	H	α-helix	trans	-71	-35.9	-178.7	0	0	0	0	0	112.4	M84 P88 Y114 F115 R116 L121 W122	M84-A118 HydrophobicContact CE-CB 4.12Å; M84-A118 HydrophobicContact SD-CB 3.24Å; M84-A118 WeakPolarHBondContact SD-CB 3.48Å; P88-A118 WeakPolarHBondContact CB-O 3.41Å; P88-A118 HydrophobicContact CG-CB 3.69Å; Y114-A118 HydrophobicContact CE1-CB 4.45Å; Y114-A118 VanDerWaalsContact O-CB 3.27Å; Y114-A118 WeakPolarHBondContact O-CB 3.42Å; Y114-A118 PolarHBondContact O-N 3.19Å; F115-A118 PolarHBondContact O-N 3.15Å; R116-A118 VanDerWaalsContact C-N 3.3Å; R116-A118 PolarHBondContact O-N 2.79Å; A118-L121 PolarHBondContact O-N 2.9Å; A118-W122 WeakPolarHBondContact O-CB 3.22Å; A118-W122 PolarHBondContact O-N 3.48Å
119	L	85.4	Confident	83.4	Confident	58 Å²	58	67.3 Å²	67.3	30%	0.304	32%	0.318	S	S	.	.	H	α-helix	trans	-60.9	-42.4	170.5	-74.3	177.3	0	0	0	112.4	M84 F106 F115 R116 L121 W122 D123	M84-L119 HydrophobicContact CE-CD2 3.84Å; M84-L119 HydrophobicContact CE-CG 4.25Å; F106-L119 HydrophobicContact CD2-CD2 3.42Å; F106-L119 VanDerWaalsContact CD2-CD2 3.42Å; F106-L119 HydrophobicContact CE2-CD2 3.4Å; F106-L119 HydrophobicContact CG-CD2 4.21Å; F106-L119 HydrophobicContact CZ-CD2 4.16Å; F115-L119 HydrophobicContact CD1-CD1 3.78Å; F115-L119 HydrophobicContact CD1-CG 4.27Å; F115-L119 HydrophobicContact CE1-CD1 3.48Å; F115-L119 VanDerWaalsContact CE1-CD1 3.48Å; F115-L119 HydrophobicContact CE1-CD2 4.4Å; F115-L119 HydrophobicContact CE1-CG 4.05Å; F115-L119 HydrophobicContact CZ-CD1 4.08Å; F115-L119 HydrophobicContact CZ-CD2 4.16Å; F115-L119 HydrophobicContact CZ-CG 4.22Å; F115-L119 WeakPolarHBondContact O-CG 3.27Å; F115-L119 PolarHBondContact O-N 2.85Å; R116-L119 PolarHBondContact O-N 2.77Å; L119-L121 PolarHBondContact O-N 3.43Å; L119-W122 WeakPolarHBondContact O-CB 3.49Å; L119-W122 PolarHBondContact O-N 2.89Å; L119-D123 PolarHBondContact O-N 2.87Å
120	K	88.7	Confident	85.1	Confident	165 Å²	165	68.2 Å²	68.2	72%	0.717	32%	0.323	S	S	*	.	H	α-helix	trans	-61.7	-43.4	175.3	-71.4	-175.4	178.9	-171.3	0	111.9	R116 S117 D123 R124	R116-K120 PolarHBondContact O-N 2.83Å; S117-K120 PolarHBondContact O-N 2.76Å; K120-D123 PolarHBondContact O-N 3.31Å; K120-R124 WeakPolarHBondContact O-CB 3.46Å; K120-R124 PolarHBondContact O-N 3.09Å
121	L	89.9	Confident	86.9	Confident	66 Å²	66	60.6 Å²	60.6	35%	0.346	28%	0.282	S	S	.	.	H	α-helix	trans	-65.5	-40.3	176.4	-72.7	174.9	0	0	0	112	P88 D89 S117 A118 L119 R124 G125	P88-L121 HydrophobicContact CB-CB 4.07Å; P88-L121 HydrophobicContact CG-CB 4.09Å; P88-L121 HydrophobicContact CG-CD1 4.41Å; D89-L121 VanDerWaalsContact CA-O 3.23Å; D89-L121 WeakPolarHBondContact CA-O 3.36Å; D89-L121 HydrophobicContact CB-CB 4.24Å; D89-L121 VanDerWaalsContact CB-O 3.29Å; D89-L121 WeakPolarHBondContact CB-O 3.48Å; S117-L121 PolarHBondContact O-N 2.96Å; S117-L121 VanDerWaalsContact O-N 3.12Å; A118-L121 PolarHBondContact O-N 2.9Å; L119-L121 PolarHBondContact O-N 3.43Å; L121-R124 PolarHBondContact O-N 2.87Å; L121-G125 PolarHBondContact O-N 3.23Å
122	W	88.5	Confident	87.9	Confident	14 Å²	14	56.9 Å²	56.9	5%	0.053	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-51.6	174.5	174.3	-86.1	0	0	0	111.3	V82 P88 M91 A92 T95 F104 F106 A118 L119 R124 G125 R126	V82-W122 HydrophobicContact CB-CH2 4.25Å; V82-W122 HydrophobicContact CB-CZ3 4.42Å; V82-W122 HydrophobicContact CG1-CH2 4.05Å; V82-W122 HydrophobicContact CG1-CZ3 3.91Å; V82-W122 HydrophobicContact CG2-CH2 4.26Å; P88-W122 HydrophobicContact CB-CB 4.13Å; M91-W122 HydrophobicContact CB-CZ3 4.13Å; M91-W122 HydrophobicContact CG-CZ3 3.84Å; M91-W122 HydrophobicContact SD-CZ3 4.11Å; A92-W122 HydrophobicContact CB-CD2 3.63Å; A92-W122 HydrophobicContact CB-CE3 3.66Å; A92-W122 HydrophobicContact CB-CG 4.14Å; A92-W122 HydrophobicContact CB-CH2 4.32Å; A92-W122 HydrophobicContact CB-CZ2 4.28Å; A92-W122 HydrophobicContact CB-CZ3 4.03Å; A92-W122 VanDerWaalsContact CB-O 3.24Å; A92-W122 WeakPolarHBondContact CB-O 3.33Å; T95-W122 HydrophobicContact CG2-CH2 4.21Å; F104-W122 HydrophobicContact CB-CZ2 4.29Å; F104-W122 HydrophobicContact CD1-CH2 4.45Å; F104-W122 HydrophobicContact CD1-CZ2 4.24Å; F104-W122 HydrophobicContact CD2-CZ2 4.5Å; F104-W122 HydrophobicContact CG-CZ2 4.08Å; F106-W122 HydrophobicContact CE1-CB 4.43Å; F106-W122 AromaticContact CE1-CD2 3.39Å; F106-W122 HydrophobicContact CE1-CD2 3.39Å; F106-W122 AromaticContact CE1-CE2 3.68Å; F106-W122 AromaticContact CE1-CE3 3.58Å; F106-W122 HydrophobicContact CE1-CE3 3.58Å; F106-W122 AromaticContact CE1-CG 3.78Å; F106-W122 HydrophobicContact CE1-CG 3.78Å; F106-W122 HydrophobicContact CE1-CH2 4.21Å; F106-W122 HydrophobicContact CE1-CZ2 4.08Å; F106-W122 AromaticContact CE1-CZ3 3.98Å; F106-W122 HydrophobicContact CE1-CZ3 3.98Å; F106-W122 HydrophobicContact CZ-CB 4.22Å; F106-W122 AromaticContact CZ-CD1 3.46Å; F106-W122 VanDerWaalsContact CZ-CD1 3.46Å; F106-W122 AromaticContact CZ-CD2 3.43Å; F106-W122 HydrophobicContact CZ-CD2 3.43Å; F106-W122 VanDerWaalsContact CZ-CD2 3.43Å; F106-W122 AromaticContact CZ-CE2 3.45Å; F106-W122 VanDerWaalsContact CZ-CE2 3.45Å; F106-W122 HydrophobicContact CZ-CE3 4.12Å; F106-W122 AromaticContact CZ-CG 3.43Å; F106-W122 HydrophobicContact CZ-CG 3.43Å; F106-W122 VanDerWaalsContact CZ-CG 3.43Å; F106-W122 HydrophobicContact CZ-CZ2 4.12Å; F106-W122 AromaticContact CZ-NE1 3.48Å; A118-W122 WeakPolarHBondContact O-CB 3.22Å; A118-W122 PolarHBondContact O-N 3.48Å; L119-W122 WeakPolarHBondContact O-CB 3.49Å; L119-W122 PolarHBondContact O-N 2.89Å; W122-R124 VanDerWaalsContact C-N 3.3Å; W122-R124 PolarHBondContact O-N 2.93Å; W122-G125 CarbonylContact O-C 3.52Å; W122-G125 WeakPolarHBondContact O-CA 3.13Å; W122-G125 PolarHBondContact O-N 3.4Å; W122-R126 PolarHBondContact O-N 3.1Å
123	D	90.2	Very high	88.6	Confident	67 Å²	67	57.1 Å²	57.1	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-40.7	-177.9	-172.1	54.8	0	0	0	111.6	L119 K120 G125 R126 I127	L119-D123 PolarHBondContact O-N 2.87Å; K120-D123 PolarHBondContact O-N 3.31Å; D123-G125 PolarHBondContact O-N 3.44Å; D123-R126 WeakPolarHBondContact O-CB 3.35Å; D123-R126 PolarHBondContact O-N 3.1Å; D123-R126 IonicContact OD1-CZ 2.68Å; D123-R126 VanDerWaalsContact OD1-CZ 3.26Å; D123-R126 IonicContact OD1-NE 3.61Å; D123-R126 PolarHBondContact OD1-NE 3.44Å; D123-R126 IonicContact OD1-NH2 3.96Å; D123-R126 PolarHBondContact OD1-NH2 2.9Å; D123-I127 WeakPolarHBondContact O-CG1 3.46Å; D123-I127 PolarHBondContact O-N 2.97Å
124	R	93.3	Very high	89.4	Confident	71 Å²	71	48.7 Å²	48.7	27%	0.268	23%	0.226	S	C	.	.	H	α-helix	trans	-57	-47.4	170.3	178.3	176.5	175.3	78	4.5	112.2	K120 L121 W122 R126 I127 L128 L256 E442	K120-R124 WeakPolarHBondContact O-CB 3.46Å; K120-R124 PolarHBondContact O-N 3.09Å; L121-R124 PolarHBondContact O-N 2.87Å; W122-R124 VanDerWaalsContact C-N 3.3Å; W122-R124 PolarHBondContact O-N 2.93Å; R124-R126 VanDerWaalsContact C-N 3.31Å; R124-R126 PolarHBondContact O-N 2.9Å; R124-I127 PolarHBondContact O-N 3.02Å; R124-L128 HydrophobicContact CG-CD1 4.13Å; R124-L128 WeakPolarHBondContact O-CB 3.35Å; R124-L128 WeakPolarHBondContact O-CG 3.25Å; R124-L128 PolarHBondContact O-N 3.44Å; R124-L256 HydrophobicContact CB-CD2 4.43Å; R124-L256 HydrophobicContact CG-CD2 4.07Å; R124-E442 IonicContact CZ-OE1 3.76Å; R124-E442 IonicContact CZ-OE2 2.69Å; R124-E442 IonicContact NH1-OE1 3.78Å; R124-E442 PolarHBondContact NH1-OE1 3.07Å; R124-E442 IonicContact NH1-OE2 3.93Å; R124-E442 PolarHBondContact NH1-OE2 3.34Å; R124-E442 IonicContact NH2-OE1 3.77Å; R124-E442 PolarHBondContact NH2-OE1 3.21Å; R124-E442 IonicContact NH2-OE2 3.64Å; R124-E442 PolarHBondContact NH2-OE2 3.33Å
125	G	91.8	Very high	90.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-37.3	177.6	0	0	0	0	0	113.1	D89 Q93 L121 W122 D123 A129	D89-G125 WeakPolarHBondContact O-CA 3.16Å; Q93-G125 WeakPolarHBondContact CG-O 3.13Å; L121-G125 PolarHBondContact O-N 3.23Å; W122-G125 CarbonylContact O-C 3.52Å; W122-G125 WeakPolarHBondContact O-CA 3.13Å; W122-G125 PolarHBondContact O-N 3.4Å; D123-G125 PolarHBondContact O-N 3.44Å; G125-A129 PolarHBondContact O-N 2.95Å
126	R	91	Very high	91	Very high	93 Å²	93	42.3 Å²	42.3	35%	0.351	20%	0.201	S	C	.	.	H	α-helix	trans	-63.1	-46.9	174.4	-175.7	-171.8	67.4	79.2	3.8	111.6	A92 M96 W122 D123 R124 A129 S130	A92-R126 HydrophobicContact CB-CB 4.43Å; M96-R126 HydrophobicContact CE-CG 3.5Å; M96-R126 HydrophobicContact CG-CG 4.14Å; W122-R126 PolarHBondContact O-N 3.1Å; D123-R126 WeakPolarHBondContact O-CB 3.35Å; D123-R126 PolarHBondContact O-N 3.1Å; D123-R126 IonicContact OD1-CZ 2.68Å; D123-R126 VanDerWaalsContact OD1-CZ 3.26Å; D123-R126 IonicContact OD1-NE 3.61Å; D123-R126 PolarHBondContact OD1-NE 3.44Å; D123-R126 IonicContact OD1-NH2 3.96Å; D123-R126 PolarHBondContact OD1-NH2 2.9Å; R124-R126 VanDerWaalsContact C-N 3.31Å; R124-R126 PolarHBondContact O-N 2.9Å; R126-A129 PolarHBondContact O-N 3.39Å; R126-S130 WeakPolarHBondContact O-CB 3.23Å; R126-S130 PolarHBondContact O-N 3.25Å
127	I	94.2	Very high	91.5	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.072	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-45.4	178.1	-67.3	164.5	0	0	0	110.6	D123 R124 A129 S130 G131 T252 H255 L256	D123-I127 WeakPolarHBondContact O-CG1 3.46Å; D123-I127 PolarHBondContact O-N 2.97Å; R124-I127 PolarHBondContact O-N 3.02Å; I127-A129 VanDerWaalsContact C-N 3.34Å; I127-A129 PolarHBondContact O-N 3.13Å; I127-S130 PolarHBondContact O-N 3.02Å; I127-G131 PolarHBondContact O-N 3.24Å; I127-T252 HydrophobicContact CG2-CG2 4.04Å; I127-H255 HydrophobicContact CG2-CB 3.63Å; I127-L256 HydrophobicContact CB-CD2 4.01Å; I127-L256 HydrophobicContact CB-CG 4.48Å; I127-L256 HydrophobicContact CD1-CD2 3.88Å; I127-L256 HydrophobicContact CG2-CD2 3.84Å; I127-L256 HydrophobicContact CG2-CG 3.75Å
128	L	94.7	Very high	92.1	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-41.3	176	-75.3	171	0	0	0	112.7	Q93 R124 Q132 T252 R435 V438	Q93-L128 HydrophobicContact CG-CB 4.37Å; R124-L128 HydrophobicContact CG-CD1 4.13Å; R124-L128 WeakPolarHBondContact O-CB 3.35Å; R124-L128 WeakPolarHBondContact O-CG 3.25Å; R124-L128 PolarHBondContact O-N 3.44Å; L128-Q132 PolarHBondContact O-N 2.63Å; L128-T252 HydrophobicContact CD2-CG2 3.98Å; L128-R435 HydrophobicContact CB-CG 4.2Å; L128-R435 HydrophobicContact CD2-CG 4.45Å; L128-V438 HydrophobicContact CD2-CB 4.16Å; L128-V438 HydrophobicContact CD2-CG1 3.79Å
129	A	91.4	Very high	92.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-72.2	-37.5	175.3	0	0	0	0	0	113.5	Q93 M96 G125 R126 I127 G131 Q132 N133	Q93-A129 WeakPolarHBondContact O-CB 3.3Å; M96-A129 HydrophobicContact CB-CB 3.65Å; G125-A129 PolarHBondContact O-N 2.95Å; R126-A129 PolarHBondContact O-N 3.39Å; I127-A129 VanDerWaalsContact C-N 3.34Å; I127-A129 PolarHBondContact O-N 3.13Å; A129-G131 VanDerWaalsContact C-N 3.3Å; A129-G131 PolarHBondContact O-N 3.39Å; A129-Q132 PolarHBondContact O-N 3.07Å; A129-Q132 VanDerWaalsContact O-N 3.15Å; A129-N133 WeakPolarHBondContact O-CB 3.45Å; A129-N133 VanDerWaalsContact O-CG 3.3Å; A129-N133 PolarHBondContact O-N 3Å
130	S	92.8	Very high	93	Very high	43 Å²	43	37.1 Å²	37.1	30%	0.301	17%	0.17	S	C	.	.	H	α-helix	trans	-58.3	-45.6	172.9	176	0	0	0	0	110.9	R126 I127 Q132 N133 F134 R251	R126-S130 WeakPolarHBondContact O-CB 3.23Å; R126-S130 PolarHBondContact O-N 3.25Å; I127-S130 PolarHBondContact O-N 3.02Å; S130-Q132 VanDerWaalsContact C-N 3.34Å; S130-Q132 PolarHBondContact O-N 3.09Å; S130-N133 PolarHBondContact O-N 3.01Å; S130-F134 WeakPolarHBondContact O-CB 3.42Å; S130-F134 PolarHBondContact O-N 3.12Å; S130-R251 PolarHBondContact OG-NH1 2.91Å
131	G	95.6	Very high	93.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-55.9	-49	172.2	0	0	0	0	0	111.7	I127 A129 N133 F134 V135 T252 L434	I127-G131 PolarHBondContact O-N 3.24Å; A129-G131 VanDerWaalsContact C-N 3.3Å; A129-G131 PolarHBondContact O-N 3.39Å; G131-N133 VanDerWaalsContact C-N 3.33Å; G131-N133 PolarHBondContact O-N 2.71Å; G131-F134 VanDerWaalsContact O-CB 3.31Å; G131-F134 WeakPolarHBondContact O-CB 3.26Å; G131-F134 PolarHBondContact O-N 3.45Å; G131-F134 VanDerWaalsContact O-N 3.12Å; G131-V135 PolarHBondContact O-N 3.23Å; G131-V135 VanDerWaalsContact O-N 3.13Å; G131-T252 WeakPolarHBondContact CA-OG1 3.42Å; G131-L434 WeakPolarHBondContact O-CD2 3.33Å
132	Q	94.5	Very high	93.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.4	-38.5	-176.3	-176.6	157.1	8.1	0	0	111.7	R97 L128 A129 S130 F134 V135 R136 T430 L434	R97-Q132 VanDerWaalsContact NH2-NE2 3.16Å; L128-Q132 PolarHBondContact O-N 2.63Å; A129-Q132 PolarHBondContact O-N 3.07Å; A129-Q132 VanDerWaalsContact O-N 3.15Å; S130-Q132 VanDerWaalsContact C-N 3.34Å; S130-Q132 PolarHBondContact O-N 3.09Å; Q132-F134 VanDerWaalsContact C-N 3.3Å; Q132-F134 PolarHBondContact O-N 2.92Å; Q132-V135 WeakPolarHBondContact O-CB 3.3Å; Q132-V135 PolarHBondContact O-N 3.5Å; Q132-R136 WeakPolarHBondContact O-CD 3.38Å; Q132-R136 WeakPolarHBondContact O-CG 3.3Å; Q132-R136 PolarHBondContact O-N 3.11Å; Q132-R136 VanDerWaalsContact O-N 3.07Å; Q132-T430 PolarHBondContact NE2-O 3.35Å; Q132-L434 HydrophobicContact CB-CD2 3.93Å
133	N	92	Very high	94	Very high	45 Å²	45	31.1 Å²	31.1	24%	0.241	15%	0.15	C	C	.	.	H	α-helix	trans	-66.6	-32.3	174	-70.2	-15.3	0	0	0	112.8	M96 A129 S130 G131 R136 R137	M96-N133 PolarHBondContact O-ND2 3.11Å; A129-N133 WeakPolarHBondContact O-CB 3.45Å; A129-N133 VanDerWaalsContact O-CG 3.3Å; A129-N133 PolarHBondContact O-N 3Å; S130-N133 PolarHBondContact O-N 3.01Å; G131-N133 VanDerWaalsContact C-N 3.33Å; G131-N133 PolarHBondContact O-N 2.71Å; N133-R136 WeakPolarHBondContact O-CB 3.27Å; N133-R136 PolarHBondContact O-N 3.4Å; N133-R136 PolarHBondContact OD1-NH1 2.9Å; N133-R137 WeakPolarHBondContact O-CB 3.43Å; N133-R137 PolarHBondContact O-N 3.36Å
134	F	94.9	Very high	94.3	Very high	13 Å²	13	33.9 Å²	33.9	6%	0.057	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-45.9	172.1	176.9	-97.2	0	0	0	111.2	S130 G131 Q132 R136 R137 L138 A158 L247	S130-F134 WeakPolarHBondContact O-CB 3.42Å; S130-F134 PolarHBondContact O-N 3.12Å; G131-F134 VanDerWaalsContact O-CB 3.31Å; G131-F134 WeakPolarHBondContact O-CB 3.26Å; G131-F134 PolarHBondContact O-N 3.45Å; G131-F134 VanDerWaalsContact O-N 3.12Å; Q132-F134 VanDerWaalsContact C-N 3.3Å; Q132-F134 PolarHBondContact O-N 2.92Å; F134-R136 VanDerWaalsContact C-N 3.29Å; F134-R136 PolarHBondContact O-N 3.16Å; F134-R137 PolarHBondContact O-N 3.46Å; F134-L138 HydrophobicContact CD1-CD1 4.16Å; F134-L138 HydrophobicContact CE1-CD1 3.51Å; F134-L138 HydrophobicContact CE1-CG 4.36Å; F134-L138 HydrophobicContact CE2-CD1 4.4Å; F134-L138 HydrophobicContact CZ-CD1 3.66Å; F134-L138 HydrophobicContact CZ-CG 4.31Å; F134-L138 WeakPolarHBondContact O-CG 3.42Å; F134-L138 PolarHBondContact O-N 2.79Å; F134-L138 VanDerWaalsContact O-N 3.16Å; F134-A158 HydrophobicContact CE2-CB 3.88Å; F134-A158 HydrophobicContact CZ-CB 3.78Å; F134-L247 HydrophobicContact CE1-CD2 3.77Å; F134-L247 HydrophobicContact CE1-CG 3.88Å; F134-L247 HydrophobicContact CZ-CD2 3.9Å; F134-L247 HydrophobicContact CZ-CG 4.35Å
135	V	96.3	Very high	94.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-56.5	-46.4	173.3	-175.3	0	0	0	0	110.6	G131 Q132 R137 L138 S139 A244 C245 L434	G131-V135 PolarHBondContact O-N 3.23Å; G131-V135 VanDerWaalsContact O-N 3.13Å; Q132-V135 WeakPolarHBondContact O-CB 3.3Å; Q132-V135 PolarHBondContact O-N 3.5Å; V135-R137 PolarHBondContact O-N 3.49Å; V135-L138 PolarHBondContact O-N 2.81Å; V135-S139 WeakPolarHBondContact O-CB 3.44Å; V135-S139 PolarHBondContact O-N 3.49Å; V135-S139 PolarHBondContact O-OG 3.17Å; V135-S139 VanDerWaalsContact O-OG 3.07Å; V135-A244 HydrophobicContact CG1-CB 3.78Å; V135-C245 HydrophobicContact CG1-CB 4.45Å; V135-L434 HydrophobicContact CG2-CB 4.23Å; V135-L434 HydrophobicContact CG2-CD1 3.91Å; V135-L434 HydrophobicContact CG2-CD2 4.13Å; V135-L434 HydrophobicContact CG2-CG 4.31Å
136	R	93.8	Very high	94.8	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.038	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-42.5	-178.6	-64.2	165.2	81.9	-154.5	-8.1	112.6	R97 Q132 N133 F134 L138 S139 D140 Y425 T427 M429 T430	R97-R136 PolarHBondContact O-NH1 3.13Å; Q132-R136 WeakPolarHBondContact O-CD 3.38Å; Q132-R136 WeakPolarHBondContact O-CG 3.3Å; Q132-R136 PolarHBondContact O-N 3.11Å; Q132-R136 VanDerWaalsContact O-N 3.07Å; N133-R136 WeakPolarHBondContact O-CB 3.27Å; N133-R136 PolarHBondContact O-N 3.4Å; N133-R136 PolarHBondContact OD1-NH1 2.9Å; F134-R136 VanDerWaalsContact C-N 3.29Å; F134-R136 PolarHBondContact O-N 3.16Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-S139 PolarHBondContact O-N 2.71Å; R136-D140 VanDerWaalsContact O-CB 3.3Å; R136-D140 WeakPolarHBondContact O-CB 3.38Å; R136-D140 PolarHBondContact O-N 3.05Å; R136-Y425 VanDerWaalsContact NH2-CD1 3.28Å; R136-T427 HydrophobicContact CB-CG2 4.49Å; R136-M429 HydrophobicContact CB-CB 4.38Å; R136-M429 VanDerWaalsContact CZ-O 3.3Å; R136-M429 PolarHBondContact NE-O 3.26Å; R136-M429 PolarHBondContact NH2-O 3.4Å; R136-T430 WeakPolarHBondContact CD-O 3.34Å
137	R	93.7	Very high	95.2	Very high	123 Å²	123	31.7 Å²	31.7	46%	0.464	17%	0.166	S	C	.	.	H	α-helix	trans	-59.2	-46.3	177.1	-175.4	-174.2	76.1	178.3	8.8	110.8	N133 F134 V135 M141	N133-R137 WeakPolarHBondContact O-CB 3.43Å; N133-R137 PolarHBondContact O-N 3.36Å; F134-R137 PolarHBondContact O-N 3.46Å; V135-R137 PolarHBondContact O-N 3.49Å; R137-M141 PolarHBondContact O-N 3.35Å
138	L	96.8	Very high	95.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67	-48.3	178.4	-61.5	-179	0	0	0	110.8	F134 V135 R136 D140 M141 L146 F151 Q154 M240 A244 L247	F134-L138 HydrophobicContact CD1-CD1 4.16Å; F134-L138 HydrophobicContact CE1-CD1 3.51Å; F134-L138 HydrophobicContact CE1-CG 4.36Å; F134-L138 HydrophobicContact CE2-CD1 4.4Å; F134-L138 HydrophobicContact CZ-CD1 3.66Å; F134-L138 HydrophobicContact CZ-CG 4.31Å; F134-L138 WeakPolarHBondContact O-CG 3.42Å; F134-L138 PolarHBondContact O-N 2.79Å; F134-L138 VanDerWaalsContact O-N 3.16Å; V135-L138 PolarHBondContact O-N 2.81Å; R136-L138 VanDerWaalsContact C-N 3.33Å; L138-D140 PolarHBondContact O-N 2.96Å; L138-M141 PolarHBondContact O-N 3.26Å; L138-L146 HydrophobicContact CB-CD2 4.09Å; L138-L146 HydrophobicContact CD2-CD1 4.01Å; L138-L146 HydrophobicContact CD2-CD2 4.42Å; L138-L146 WeakPolarHBondContact O-CD2 3.16Å; L138-F151 HydrophobicContact CD1-CE2 3.87Å; L138-F151 HydrophobicContact CD1-CZ 4.39Å; L138-Q154 HydrophobicContact CD2-CB 4.22Å; L138-Q154 HydrophobicContact CD2-CG 4.28Å; L138-M240 HydrophobicContact CB-CE 3.89Å; L138-A244 HydrophobicContact CB-CB 4.07Å; L138-A244 HydrophobicContact CD1-CB 4.19Å; L138-L247 HydrophobicContact CD1-CD2 4.04Å
139	S	95.8	Very high	95.6	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-28.8	178.5	-62.9	0	0	0	0	114.1	V135 R136 Y238 S241	V135-S139 WeakPolarHBondContact O-CB 3.44Å; V135-S139 PolarHBondContact O-N 3.49Å; V135-S139 PolarHBondContact O-OG 3.17Å; V135-S139 VanDerWaalsContact O-OG 3.07Å; R136-S139 PolarHBondContact O-N 2.71Å; S139-Y238 WeakPolarHBondContact O-CA 3.4Å; S139-Y238 VanDerWaalsContact O-CB 3.29Å; S139-Y238 WeakPolarHBondContact O-CB 3.32Å; S139-S241 WeakPolarHBondContact CB-OG 3.5Å; S139-S241 PolarHBondContact OG-OG 2.88Å
140	D	93.4	Very high	95.9	Very high	51 Å²	51	39.1 Å²	39.1	27%	0.273	20%	0.201	S	C	.	.	H	α-helix	trans	-92.3	-18.6	-177.2	-159.9	35.8	0	0	0	113.5	R136 L138 R237 T427 M429	R136-D140 VanDerWaalsContact O-CB 3.3Å; R136-D140 WeakPolarHBondContact O-CB 3.38Å; R136-D140 PolarHBondContact O-N 3.05Å; L138-D140 PolarHBondContact O-N 2.96Å; D140-R237 PolarHBondContact O-NE 2.97Å; D140-R237 VanDerWaalsContact O-NE 3.15Å; D140-R237 IonicContact OD1-CZ 2.9Å; D140-R237 IonicContact OD1-NE 2.72Å; D140-R237 IonicContact OD1-NH2 3.74Å; D140-R237 PolarHBondContact OD1-NH2 2.92Å; D140-T427 WeakPolarHBondContact CB-OG1 3.21Å; D140-T427 PolarHBondContact OD1-OG1 2.93Å; D140-T427 WeakPolarHBondContact OD2-CB 3.26Å; D140-T427 PolarHBondContact OD2-OG1 3.27Å; D140-M429 HydrophobicContact CB-CB 4.35Å; D140-M429 HydrophobicContact CB-CG 3.65Å
141	M	94.5	Very high	96.2	Very high	44 Å²	44	37 Å²	37	22%	0.217	19%	0.187	C	C	.	.	S	Bend	trans	-61.5	132.8	-178.2	-168.9	175.7	-61.3	0	0	110.1	R137 L138 L145 L146	R137-M141 PolarHBondContact O-N 3.35Å; L138-M141 PolarHBondContact O-N 3.26Å; M141-L145 HydrophobicContact CG-CB 3.87Å; M141-L145 HydrophobicContact SD-CB 3.97Å; M141-L146 HydrophobicContact CB-CB 4.05Å; M141-L146 HydrophobicContact CB-CD2 4.25Å; M141-L146 HydrophobicContact CE-CD1 4.48Å; M141-L146 HydrophobicContact CG-CB 3.93Å; M141-L146 HydrophobicContact SD-CB 3.74Å; M141-L146 HydrophobicContact SD-CD1 3.76Å; M141-L146 HydrophobicContact SD-CG 4.27Å
142	P	96.4	Very high	96.4	Very high	60 Å²	60	37.2 Å²	37.2	39%	0.39	19%	0.188	S	C	.	.			trans	-56.1	139.5	174.2	-26.5	35.3	0	0	0	111.9	N144 L145 L146	P142-N144 WeakPolarHBondContact CB-OD1 3.27Å; P142-N144 PolarHBondContact O-N 3.39Å; P142-L145 HydrophobicContact CG-CD1 4.44Å; P142-L145 WeakPolarHBondContact O-CA 3.17Å; P142-L145 WeakPolarHBondContact O-CB 3.47Å; P142-L145 PolarHBondContact O-N 2.74Å; P142-L146 PolarHBondContact O-N 2.88Å
143	S	97.4	Very high	96.6	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.098	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.2	-174.2	-56.8	0	0	0	0	114.2	L145 L146 T147 C219 F220 R237	S143-L145 PolarHBondContact O-N 2.92Å; S143-L146 CarbonylContact O-C 3.57Å; S143-L146 VanDerWaalsContact O-C 3.29Å; S143-L146 PolarHBondContact O-N 2.93Å; S143-T147 PolarHBondContact O-N 3.39Å; S143-C219 VanDerWaalsContact CB-O 3.31Å; S143-C219 WeakPolarHBondContact CB-O 3.49Å; S143-C219 PolarHBondContact OG-O 3.24Å; S143-F220 WeakPolarHBondContact OG-CD2 2.99Å; S143-R237 VanDerWaalsContact OG-CA 3.26Å; S143-R237 WeakPolarHBondContact OG-CA 3.38Å; S143-R237 VanDerWaalsContact OG-CB 3.23Å; S143-R237 WeakPolarHBondContact OG-CB 3.42Å
144	N	96.9	Very high	96.8	Very high	126 Å²	126	40.5 Å²	40.5	67%	0.674	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.2	172.8	68.5	-63.2	0	0	0	113.4	P142	P142-N144 WeakPolarHBondContact CB-OD1 3.27Å; P142-N144 PolarHBondContact O-N 3.39Å
145	L	97.5	Very high	97	Very high	100 Å²	100	39.9 Å²	39.9	52%	0.524	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-23.9	172.2	-62	-179.4	0	0	0	112.4	M141 P142 S143 R150	M141-L145 HydrophobicContact CG-CB 3.87Å; M141-L145 HydrophobicContact SD-CB 3.97Å; P142-L145 HydrophobicContact CG-CD1 4.44Å; P142-L145 WeakPolarHBondContact O-CA 3.17Å; P142-L145 WeakPolarHBondContact O-CB 3.47Å; P142-L145 PolarHBondContact O-N 2.74Å; S143-L145 PolarHBondContact O-N 2.92Å; L145-R150 WeakPolarHBondContact O-CB 3.49Å; L145-R150 WeakPolarHBondContact O-CG 3.42Å
146	L	98	Very high	97.1	Very high	3 Å²	3	42 Å²	42	2%	0.016	21%	0.214	C	C	.	.	S	Bend	trans	-116.3	59.1	178.8	-160.9	71.9	0	0	0	112.2	L138 M141 P142 S143 F151 Q154 C219 M240	L138-L146 HydrophobicContact CB-CD2 4.09Å; L138-L146 HydrophobicContact CD2-CD1 4.01Å; L138-L146 HydrophobicContact CD2-CD2 4.42Å; L138-L146 WeakPolarHBondContact O-CD2 3.16Å; M141-L146 HydrophobicContact CB-CB 4.05Å; M141-L146 HydrophobicContact CB-CD2 4.25Å; M141-L146 HydrophobicContact CE-CD1 4.48Å; M141-L146 HydrophobicContact CG-CB 3.93Å; M141-L146 HydrophobicContact SD-CB 3.74Å; M141-L146 HydrophobicContact SD-CD1 3.76Å; M141-L146 HydrophobicContact SD-CG 4.27Å; P142-L146 PolarHBondContact O-N 2.88Å; S143-L146 CarbonylContact O-C 3.57Å; S143-L146 VanDerWaalsContact O-C 3.29Å; S143-L146 PolarHBondContact O-N 2.93Å; L146-F151 HydrophobicContact CD1-CB 4.33Å; L146-F151 HydrophobicContact CD1-CD2 4.45Å; L146-F151 HydrophobicContact CD2-CD2 4.18Å; L146-F151 HydrophobicContact CG-CB 4.42Å; L146-F151 HydrophobicContact CG-CD2 4.38Å; L146-Q154 HydrophobicContact CD1-CG 4.3Å; L146-C219 WeakPolarHBondContact O-CB 3.36Å; L146-C219 PolarHBondContact O-SG 3.13Å; L146-M240 HydrophobicContact CD2-CE 3.64Å; L146-M240 HydrophobicContact CD2-SD 4.2Å
147	T	98.5	Very high	97.3	Very high	14 Å²	14	46.9 Å²	46.9	9%	0.086	24%	0.237	C	C	.	.			trans	-65.9	168	170.6	73.7	0	0	0	0	111.2	S143 A149 R150 F151 E192	S143-T147 PolarHBondContact O-N 3.39Å; T147-A149 PolarHBondContact O-N 3.43Å; T147-R150 PolarHBondContact O-N 3.24Å; T147-R150 VanDerWaalsContact O-N 3.11Å; T147-R150 PolarHBondContact OG1-N 2.96Å; T147-F151 PolarHBondContact O-N 3.26Å; T147-E192 WeakPolarHBondContact CB-OE2 3.43Å; T147-E192 HydrophobicContact CG2-CG 4.28Å
148	P	98.8	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-49.4	-43.9	173.7	-32.1	38.8	0	0	0	113.6	F151 A152 C219 L270	P148-F151 PolarHBondContact O-N 3.43Å; P148-A152 PolarHBondContact O-N 2.86Å; P148-A152 VanDerWaalsContact O-N 3.12Å; P148-C219 HydrophobicContact CG-CB 4.42Å; P148-L270 HydrophobicContact CB-CB 3.82Å
149	A	98.6	Very high	97.5	Very high	39 Å²	39	42.2 Å²	42.2	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-63.9	-48	176.8	0	0	0	0	0	112.2	T147 F151 A152 E153 L195	T147-A149 PolarHBondContact O-N 3.43Å; A149-F151 VanDerWaalsContact C-N 3.31Å; A149-F151 PolarHBondContact O-N 3Å; A149-A152 PolarHBondContact O-N 2.65Å; A149-A152 VanDerWaalsContact O-N 3.13Å; A149-E153 WeakPolarHBondContact O-CG 3.42Å; A149-E153 PolarHBondContact O-N 3.29Å; A149-L195 HydrophobicContact CB-CD1 4.24Å
150	R	98.4	Very high	97.5	Very high	134 Å²	134	49.6 Å²	49.6	51%	0.506	26%	0.259	S	S	.	.	H	α-helix	trans	-63.8	-35.4	178	-69.3	-60.1	-169.2	-178.4	-0.7	112.3	L145 T147 E153 Q154	L145-R150 WeakPolarHBondContact O-CB 3.49Å; L145-R150 WeakPolarHBondContact O-CG 3.42Å; T147-R150 PolarHBondContact O-N 3.24Å; T147-R150 VanDerWaalsContact O-N 3.11Å; T147-R150 PolarHBondContact OG1-N 2.96Å; R150-E153 WeakPolarHBondContact CD-OE2 3.48Å; R150-E153 IonicContact CZ-OE2 2.57Å; R150-E153 IonicContact NE-OE2 3.04Å; R150-E153 IonicContact NH1-OE1 3.47Å; R150-E153 IonicContact NH1-OE2 2.73Å; R150-E153 PolarHBondContact NH1-OE2 2.91Å; R150-E153 PolarHBondContact O-N 2.89Å; R150-Q154 WeakPolarHBondContact O-CB 3.25Å; R150-Q154 VanDerWaalsContact O-CG 3.24Å; R150-Q154 WeakPolarHBondContact O-CG 3.32Å; R150-Q154 PolarHBondContact O-N 2.67Å
151	F	98.7	Very high	97.7	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-45	172.6	-173.3	-78.1	0	0	0	111.5	L138 L146 T147 P148 A149 Q154 A155 L197 M240 A243 A244 L247 M268 L270	L138-F151 HydrophobicContact CD1-CE2 3.87Å; L138-F151 HydrophobicContact CD1-CZ 4.39Å; L146-F151 HydrophobicContact CD1-CB 4.33Å; L146-F151 HydrophobicContact CD1-CD2 4.45Å; L146-F151 HydrophobicContact CD2-CD2 4.18Å; L146-F151 HydrophobicContact CG-CB 4.42Å; L146-F151 HydrophobicContact CG-CD2 4.38Å; T147-F151 PolarHBondContact O-N 3.26Å; P148-F151 PolarHBondContact O-N 3.43Å; A149-F151 VanDerWaalsContact C-N 3.31Å; A149-F151 PolarHBondContact O-N 3Å; F151-Q154 PolarHBondContact O-N 3.04Å; F151-A155 PolarHBondContact O-N 2.85Å; F151-L197 HydrophobicContact CD1-CD2 4.12Å; F151-L197 HydrophobicContact CE1-CD2 3.86Å; F151-M240 HydrophobicContact CD2-CE 3.53Å; F151-M240 HydrophobicContact CE2-CE 3.25Å; F151-M240 HydrophobicContact CZ-CE 4.46Å; F151-A243 HydrophobicContact CE1-CB 4.31Å; F151-A243 HydrophobicContact CE2-CB 4.39Å; F151-A243 HydrophobicContact CZ-CB 3.84Å; F151-A244 HydrophobicContact CE2-CB 4.36Å; F151-L247 HydrophobicContact CE1-CD2 3.9Å; F151-L247 HydrophobicContact CZ-CB 4.3Å; F151-L247 HydrophobicContact CZ-CD2 3.8Å; F151-M268 HydrophobicContact CE1-SD 4.08Å; F151-M268 HydrophobicContact CZ-SD 4.38Å; F151-L270 HydrophobicContact CB-CD1 4.28Å; F151-L270 HydrophobicContact CB-CD2 4.34Å; F151-L270 HydrophobicContact CD1-CD1 3.6Å; F151-L270 HydrophobicContact CD1-CD2 3.5Å; F151-L270 VanDerWaalsContact CD1-CD2 3.5Å; F151-L270 HydrophobicContact CD1-CG 4.22Å; F151-L270 HydrophobicContact CD2-CD2 4.5Å; F151-L270 HydrophobicContact CE1-CD1 4.39Å; F151-L270 HydrophobicContact CE1-CD2 3.87Å; F151-L270 HydrophobicContact CG-CD1 4.27Å; F151-L270 HydrophobicContact CG-CD2 3.85Å
152	A	98.7	Very high	97.8	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-37	178.2	0	0	0	0	0	112.9	P148 A149 A155 S156 V169 L195 L197 L270	P148-A152 PolarHBondContact O-N 2.86Å; P148-A152 VanDerWaalsContact O-N 3.12Å; A149-A152 PolarHBondContact O-N 2.65Å; A149-A152 VanDerWaalsContact O-N 3.13Å; A152-A155 WeakPolarHBondContact O-CB 3.32Å; A152-A155 PolarHBondContact O-N 3.18Å; A152-S156 PolarHBondContact O-N 2.85Å; A152-S156 PolarHBondContact O-OG 3.47Å; A152-V169 HydrophobicContact CB-CG1 3.99Å; A152-V169 HydrophobicContact CB-CG2 4.03Å; A152-L195 HydrophobicContact CB-CD1 3.94Å; A152-L197 HydrophobicContact CB-CD1 4.38Å; A152-L270 HydrophobicContact CB-CD1 4.33Å
153	E	98.4	Very high	97.8	Very high	77 Å²	77	63 Å²	63	36%	0.36	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-49.6	171.3	-71.3	172.6	-170.2	0	0	111.2	A149 R150 A155 S156 E157	A149-E153 WeakPolarHBondContact O-CG 3.42Å; A149-E153 PolarHBondContact O-N 3.29Å; R150-E153 WeakPolarHBondContact CD-OE2 3.48Å; R150-E153 IonicContact CZ-OE2 2.57Å; R150-E153 IonicContact NE-OE2 3.04Å; R150-E153 IonicContact NH1-OE1 3.47Å; R150-E153 IonicContact NH1-OE2 2.73Å; R150-E153 PolarHBondContact NH1-OE2 2.91Å; R150-E153 PolarHBondContact O-N 2.89Å; E153-A155 PolarHBondContact O-N 2.79Å; E153-S156 WeakPolarHBondContact O-CB 3.47Å; E153-S156 PolarHBondContact O-N 3.38Å; E153-E157 WeakPolarHBondContact O-CG 3.42Å; E153-E157 PolarHBondContact O-N 2.82Å
154	Q	97.7	Very high	97.7	Very high	37 Å²	37	64.7 Å²	64.7	17%	0.173	32%	0.315	C	S	.	.	H	α-helix	trans	-58.4	-35.2	176.6	-72.8	-61.5	-66.5	0	0	112.3	L138 L146 R150 F151 E157 A158	L138-Q154 HydrophobicContact CD2-CB 4.22Å; L138-Q154 HydrophobicContact CD2-CG 4.28Å; L146-Q154 HydrophobicContact CD1-CG 4.3Å; R150-Q154 WeakPolarHBondContact O-CB 3.25Å; R150-Q154 VanDerWaalsContact O-CG 3.24Å; R150-Q154 WeakPolarHBondContact O-CG 3.32Å; R150-Q154 PolarHBondContact O-N 2.67Å; F151-Q154 PolarHBondContact O-N 3.04Å; Q154-E157 PolarHBondContact NE2-OE2 2.95Å; Q154-A158 WeakPolarHBondContact O-CB 3.47Å; Q154-A158 PolarHBondContact O-N 3.01Å
155	A	98.5	Very high	97.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.3	-44.1	173.6	0	0	0	0	0	112.3	F151 A152 E153 A158 L159 L197 L247	F151-A155 PolarHBondContact O-N 2.85Å; A152-A155 WeakPolarHBondContact O-CB 3.32Å; A152-A155 PolarHBondContact O-N 3.18Å; E153-A155 PolarHBondContact O-N 2.79Å; A155-A158 PolarHBondContact O-N 3.25Å; A155-L159 WeakPolarHBondContact O-CB 3.47Å; A155-L159 WeakPolarHBondContact O-CG 3.46Å; A155-L159 PolarHBondContact O-N 3.29Å; A155-L197 HydrophobicContact CB-CD1 4.38Å; A155-L197 HydrophobicContact CB-CD2 3.49Å; A155-L197 VanDerWaalsContact CB-CD2 3.49Å; A155-L247 HydrophobicContact CB-CD1 3.63Å; A155-L247 HydrophobicContact CB-CD2 3.64Å; A155-L247 HydrophobicContact CB-CG 4.29Å
156	S	98.3	Very high	97.8	Very high	44 Å²	44	59.7 Å²	59.7	31%	0.308	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-49.9	179.4	-56.7	0	0	0	0	111	A152 E153 A158 L159 E160	A152-S156 PolarHBondContact O-N 2.85Å; A152-S156 PolarHBondContact O-OG 3.47Å; E153-S156 WeakPolarHBondContact O-CB 3.47Å; E153-S156 PolarHBondContact O-N 3.38Å; S156-A158 VanDerWaalsContact C-N 3.34Å; S156-A158 PolarHBondContact O-N 3.04Å; S156-L159 PolarHBondContact O-N 3.39Å; S156-E160 WeakPolarHBondContact O-CB 3.15Å; S156-E160 PolarHBondContact O-N 3.15Å
157	E	98	Very high	97.9	Very high	114 Å²	114	61.5 Å²	61.5	53%	0.533	30%	0.297	S	S	.	.	H	α-helix	trans	-58.7	-43.2	175.8	-69.7	174.3	-179.6	0	0	112.2	E153 Q154 L159	E153-E157 WeakPolarHBondContact O-CG 3.42Å; E153-E157 PolarHBondContact O-N 2.82Å; Q154-E157 PolarHBondContact NE2-OE2 2.95Å; E157-L159 PolarHBondContact O-N 3.21Å
158	A	97.4	Very high	97.9	Very high	21 Å²	21	62.6 Å²	62.6	17%	0.174	30%	0.302	C	S	.	.	H	α-helix	trans	-69.1	-18.2	-177.2	0	0	0	0	0	113.6	F134 Q154 A155 S156	F134-A158 HydrophobicContact CE2-CB 3.88Å; F134-A158 HydrophobicContact CZ-CB 3.78Å; Q154-A158 WeakPolarHBondContact O-CB 3.47Å; Q154-A158 PolarHBondContact O-N 3.01Å; A155-A158 PolarHBondContact O-N 3.25Å; S156-A158 VanDerWaalsContact C-N 3.34Å; S156-A158 PolarHBondContact O-N 3.04Å
159	L	98.2	Very high	97.9	Very high	4 Å²	4	65.8 Å²	65.8	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-119.7	-6.8	-173	-64.3	171.8	0	0	0	114.4	A155 S156 E157 N161 F162 V165 V167 V199 L247 I250 R251	A155-L159 WeakPolarHBondContact O-CB 3.47Å; A155-L159 WeakPolarHBondContact O-CG 3.46Å; A155-L159 PolarHBondContact O-N 3.29Å; S156-L159 PolarHBondContact O-N 3.39Å; E157-L159 PolarHBondContact O-N 3.21Å; L159-N161 VanDerWaalsContact C-N 3.25Å; L159-N161 PolarHBondContact O-N 3.39Å; L159-N161 VanDerWaalsContact O-N 3.1Å; L159-F162 HydrophobicContact CD2-CD2 4.08Å; L159-F162 HydrophobicContact CD2-CE2 4.29Å; L159-F162 PolarHBondContact O-N 3.32Å; L159-F162 VanDerWaalsContact O-N 3.1Å; L159-V165 HydrophobicContact CB-CG1 3.99Å; L159-V165 HydrophobicContact CD1-CG1 3.92Å; L159-V165 HydrophobicContact CD2-CG1 4.22Å; L159-V165 HydrophobicContact CG-CG1 4.26Å; L159-V167 HydrophobicContact CB-CG2 3.85Å; L159-V167 HydrophobicContact CD1-CG2 3.7Å; L159-V167 HydrophobicContact CG-CG2 4.42Å; L159-V199 HydrophobicContact CD1-CG1 3.77Å; L159-V199 HydrophobicContact CD1-CG2 4.48Å; L159-L247 HydrophobicContact CD1-CD1 3.66Å; L159-L247 HydrophobicContact CG-CD1 4.47Å; L159-I250 HydrophobicContact CD1-CG2 4.37Å; L159-I250 HydrophobicContact CD2-CG2 4.2Å; L159-R251 HydrophobicContact CD2-CB 3.98Å; L159-R251 HydrophobicContact CD2-CG 4.4Å
160	E	96.3	Very high	97.9	Very high	155 Å²	155	66.9 Å²	66.9	72%	0.724	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-39	-173.7	-173.6	179.3	-166.2	0	0	114.1	S156 F162	S156-E160 WeakPolarHBondContact O-CB 3.15Å; S156-E160 PolarHBondContact O-N 3.15Å; E160-F162 PolarHBondContact O-N 2.76Å
161	N	96.1	Very high	97.9	Very high	145 Å²	145	64.4 Å²	64.4	78%	0.775	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	0.2	-173.6	-69.2	-61.1	0	0	0	114.7	L159	L159-N161 VanDerWaalsContact C-N 3.25Å; L159-N161 PolarHBondContact O-N 3.39Å; L159-N161 VanDerWaalsContact O-N 3.1Å
162	F	97.2	Very high	97.9	Very high	34 Å²	34	69.1 Å²	69.1	15%	0.149	34%	0.335	C	S	.	.			trans	-98.7	106	-179.9	-60	-73.1	0	0	0	111.5	L159 E160 N164 V165 A254 H255	L159-F162 HydrophobicContact CD2-CD2 4.08Å; L159-F162 HydrophobicContact CD2-CE2 4.29Å; L159-F162 PolarHBondContact O-N 3.32Å; L159-F162 VanDerWaalsContact O-N 3.1Å; E160-F162 PolarHBondContact O-N 2.76Å; F162-N164 PolarHBondContact O-N 3.3Å; F162-N164 VanDerWaalsContact O-N 3.09Å; F162-V165 HydrophobicContact CB-CB 3.93Å; F162-V165 HydrophobicContact CB-CG2 3.68Å; F162-V165 HydrophobicContact CG-CG2 4.41Å; F162-V165 PolarHBondContact O-N 3.07Å; F162-A254 HydrophobicContact CB-CB 4.31Å; F162-A254 HydrophobicContact CD1-CB 3.6Å; F162-A254 HydrophobicContact CD2-CB 3.87Å; F162-A254 HydrophobicContact CE1-CB 3.72Å; F162-A254 HydrophobicContact CE2-CB 4Å; F162-A254 HydrophobicContact CG-CB 3.66Å; F162-A254 HydrophobicContact CZ-CB 3.91Å; F162-H255 AromaticContact CE1-ND1 4Å; F162-H255 AromaticContact CZ-CD2 3.82Å; F162-H255 AromaticContact CZ-CE1 3.52Å; F162-H255 AromaticContact CZ-CG 3.72Å; F162-H255 AromaticContact CZ-ND1 3.54Å; F162-H255 AromaticContact CZ-NE2 3.73Å
163	R	96	Very high	97.9	Very high	258 Å²	258	75.1 Å²	75.1	97%	0.974	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.4	-179.3	-63.9	-176.9	-179.1	-177.5	-0.3	114.5
164	N	96.1	Very high	97.9	Very high	49 Å²	49	72.9 Å²	72.9	26%	0.262	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	11.1	178.5	71.3	-41.7	0	0	0	113.1	F162 Y201 K202	F162-N164 PolarHBondContact O-N 3.3Å; F162-N164 VanDerWaalsContact O-N 3.09Å; N164-Y201 WeakPolarHBondContact ND2-CE2 3.35Å; N164-K202 WeakPolarHBondContact CB-O 3.18Å; N164-K202 PolarHBondContact ND2-O 3.26Å; N164-K202 PolarHBondContact O-N 3.27Å
165	V	98.3	Very high	97.9	Very high	20 Å²	20	71.1 Å²	71.1	12%	0.121	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.7	173.9	-178.2	0	0	0	0	109.8	L159 F162 V167 V199 H200 Y201 I250 A254	L159-V165 HydrophobicContact CB-CG1 3.99Å; L159-V165 HydrophobicContact CD1-CG1 3.92Å; L159-V165 HydrophobicContact CD2-CG1 4.22Å; L159-V165 HydrophobicContact CG-CG1 4.26Å; F162-V165 HydrophobicContact CB-CB 3.93Å; F162-V165 HydrophobicContact CB-CG2 3.68Å; F162-V165 HydrophobicContact CG-CG2 4.41Å; F162-V165 PolarHBondContact O-N 3.07Å; V165-V167 HydrophobicContact CG1-CG2 4.36Å; V165-V199 HydrophobicContact CG1-CG1 3.7Å; V165-H200 CarbonylContact C-O 3.28Å; V165-H200 VanDerWaalsContact CA-O 3.24Å; V165-H200 WeakPolarHBondContact CA-O 3.45Å; V165-Y201 HydrophobicContact CG2-CD2 3.8Å; V165-I250 HydrophobicContact CG1-CG2 4.29Å; V165-I250 HydrophobicContact CG2-CG2 4.36Å; V165-A254 HydrophobicContact CG2-CB 4.05Å
166	Q	98.4	Very high	97.9	Very high	101 Å²	101	74.7 Å²	74.7	47%	0.472	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.9	171.5	-177.6	-178	13.8	0	0	109.1	I168 V199 H200	Q166-I168 HydrophobicContact CG-CD1 4.42Å; Q166-I168 HydrophobicContact CG-CG1 4.04Å; Q166-V199 CarbonylContact O-C 3.56Å; Q166-V199 VanDerWaalsContact O-CA 3.32Å; Q166-V199 WeakPolarHBondContact O-CA 3.33Å; Q166-H200 HydrophobicContact CB-CB 4.3Å; Q166-H200 PolarHBondContact N-O 3.28Å; Q166-H200 PolarHBondContact O-N 2.85Å
167	V	98.7	Very high	97.9	Very high	42 Å²	42	78.5 Å²	78.5	26%	0.255	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128	175.1	-178.3	0	0	0	0	108.8	L159 V165 L197 V199	L159-V167 HydrophobicContact CB-CG2 3.85Å; L159-V167 HydrophobicContact CD1-CG2 3.7Å; L159-V167 HydrophobicContact CG-CG2 4.42Å; V165-V167 HydrophobicContact CG1-CG2 4.36Å; V167-L197 HydrophobicContact CG1-CD1 3.67Å; V167-V199 HydrophobicContact CG1-CG2 4.28Å; V167-V199 HydrophobicContact CG2-CG1 4.27Å; V167-V199 HydrophobicContact CG2-CG2 4.27Å
168	I	98.7	Very high	98	Very high	36 Å²	36	76.8 Å²	76.8	19%	0.185	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	115.4	178.6	-49.2	172	0	0	0	108	Q166 E198	Q166-I168 HydrophobicContact CG-CD1 4.42Å; Q166-I168 HydrophobicContact CG-CG1 4.04Å; I168-E198 WeakPolarHBondContact CA-O 3.5Å; I168-E198 HydrophobicContact CB-CB 4.28Å; I168-E198 PolarHBondContact N-O 2.91Å; I168-E198 PolarHBondContact O-N 3.15Å
169	V	98.7	Very high	98	Very high	68 Å²	68	84.8 Å²	84.8	41%	0.412	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	114.1	175.5	-173.8	0	0	0	0	108.2	A152 L195 L197	A152-V169 HydrophobicContact CB-CG1 3.99Å; A152-V169 HydrophobicContact CB-CG2 4.03Å; V169-L195 HydrophobicContact CG1-CD1 3.94Å; V169-L195 HydrophobicContact CG1-CD2 4.16Å; V169-L195 HydrophobicContact CG1-CG 4.47Å; V169-L197 HydrophobicContact CG2-CD1 3.95Å
170	R	98.8	Very high	98.1	Very high	61 Å²	61	84.6 Å²	84.6	23%	0.23	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.6	176.9	-49.8	-67.6	-168.6	177.4	-2.1	109.9	W174 L195 F196 E198	R170-W174 HydrophobicContact CB-CB 4.16Å; R170-W174 HydrophobicContact CB-CD2 3.62Å; R170-W174 HydrophobicContact CB-CE3 3.43Å; R170-W174 VanDerWaalsContact CB-CE3 3.43Å; R170-W174 HydrophobicContact CB-CG 3.94Å; R170-W174 HydrophobicContact CB-CZ3 4.04Å; R170-W174 HydrophobicContact CG-CD2 3.67Å; R170-W174 HydrophobicContact CG-CE3 3.7Å; R170-W174 HydrophobicContact CG-CG 4.22Å; R170-W174 HydrophobicContact CG-CH2 4.13Å; R170-W174 HydrophobicContact CG-CZ2 4.11Å; R170-W174 HydrophobicContact CG-CZ3 3.94Å; R170-L195 WeakPolarHBondContact O-CA 3.42Å; R170-F196 HydrophobicContact CB-CB 4.07Å; R170-F196 VanDerWaalsContact CB-O 3.23Å; R170-F196 WeakPolarHBondContact CB-O 3.42Å; R170-F196 WeakPolarHBondContact CG-O 3.41Å; R170-F196 PolarHBondContact N-O 2.63Å; R170-F196 PolarHBondContact O-N 3.45Å; R170-E198 IonicContact CZ-OE2 3.76Å; R170-E198 IonicContact NE-OE2 3.57Å; R170-E198 PolarHBondContact NE-OE2 2.95Å; R170-E198 VanDerWaalsContact NE-OE2 3.14Å; R170-E198 IonicContact NH2-OE1 3.68Å; R170-E198 PolarHBondContact NH2-OE1 3.24Å; R170-E198 IonicContact NH2-OE2 2.67Å; R170-E198 PolarHBondContact NH2-OE2 3.33Å
171	D	98.6	Very high	98.2	Very high	82 Å²	82	78.2 Å²	78.2	44%	0.439	37%	0.369	S	S	.	.			trans	-89.5	178.9	-178.6	65.4	17	0	0	0	112.9	Q173 W174 I175	D171-Q173 PolarHBondContact O-N 3.15Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.08Å; D171-Q173 PolarHBondContact OD1-N 3.37Å; D171-Q173 VanDerWaalsContact OD1-N 3.08Å; D171-W174 PolarHBondContact O-N 2.91Å; D171-W174 PolarHBondContact OD1-N 3.47Å; D171-I175 VanDerWaalsContact O-CG1 3.27Å; D171-I175 WeakPolarHBondContact O-CG1 3.12Å; D171-I175 PolarHBondContact O-N 3.25Å
172	K	98.5	Very high	98.3	Very high	99 Å²	99	71.3 Å²	71.3	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-57.8	-33.8	176.9	-175.5	178.3	178.6	179.3	0	113.4	I175 T176 L184 L193 P194	K172-I175 PolarHBondContact O-N 3.29Å; K172-T176 WeakPolarHBondContact O-CB 3.29Å; K172-T176 PolarHBondContact O-N 3.49Å; K172-T176 PolarHBondContact O-OG1 2.99Å; K172-L184 HydrophobicContact CG-CD2 4.19Å; K172-L193 HydrophobicContact CD-CD2 4.18Å; K172-P194 HydrophobicContact CB-CG 4.15Å; K172-P194 HydrophobicContact CD-CG 4.31Å; K172-P194 HydrophobicContact CG-CG 4.04Å
173	Q	98.6	Very high	98.4	Very high	130 Å²	130	69.7 Å²	69.7	61%	0.607	33%	0.325	S	S	*	.	H	α-helix	trans	-65.2	-49.9	178.6	179.6	-178.7	-21.2	0	0	109.7	D171 I175 T176 E177	D171-Q173 PolarHBondContact O-N 3.15Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.08Å; D171-Q173 PolarHBondContact OD1-N 3.37Å; D171-Q173 VanDerWaalsContact OD1-N 3.08Å; Q173-I175 VanDerWaalsContact C-N 3.31Å; Q173-I175 PolarHBondContact O-N 3.33Å; Q173-T176 WeakPolarHBondContact O-CA 3.46Å; Q173-T176 WeakPolarHBondContact O-CB 3.44Å; Q173-T176 PolarHBondContact O-N 3.07Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.41Å; Q173-E177 PolarHBondContact NE2-OE1 2.92Å; Q173-E177 WeakPolarHBondContact O-CG 3.32Å; Q173-E177 PolarHBondContact O-N 3.33Å
174	W	98.7	Very high	98.5	Very high	31 Å²	31	59.2 Å²	59.2	12%	0.117	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-42.1	176.4	-177.4	93.1	0	0	0	112.3	R170 D171 T176 E177 K178 M180 F196 Y313	R170-W174 HydrophobicContact CB-CB 4.16Å; R170-W174 HydrophobicContact CB-CD2 3.62Å; R170-W174 HydrophobicContact CB-CE3 3.43Å; R170-W174 VanDerWaalsContact CB-CE3 3.43Å; R170-W174 HydrophobicContact CB-CG 3.94Å; R170-W174 HydrophobicContact CB-CZ3 4.04Å; R170-W174 HydrophobicContact CG-CD2 3.67Å; R170-W174 HydrophobicContact CG-CE3 3.7Å; R170-W174 HydrophobicContact CG-CG 4.22Å; R170-W174 HydrophobicContact CG-CH2 4.13Å; R170-W174 HydrophobicContact CG-CZ2 4.11Å; R170-W174 HydrophobicContact CG-CZ3 3.94Å; D171-W174 PolarHBondContact O-N 2.91Å; D171-W174 PolarHBondContact OD1-N 3.47Å; W174-T176 VanDerWaalsContact C-N 3.27Å; W174-T176 PolarHBondContact O-N 3.33Å; W174-E177 PolarHBondContact O-N 3.21Å; W174-K178 HydrophobicContact CD2-CG 3.95Å; W174-K178 HydrophobicContact CE3-CG 3.99Å; W174-K178 HydrophobicContact CH2-CD 4.45Å; W174-K178 HydrophobicContact CH2-CG 3.73Å; W174-K178 HydrophobicContact CZ2-CD 4.12Å; W174-K178 HydrophobicContact CZ2-CG 3.67Å; W174-K178 HydrophobicContact CZ3-CG 3.88Å; W174-K178 WeakPolarHBondContact O-CG 3.39Å; W174-K178 PolarHBondContact O-N 3.33Å; W174-M180 HydrophobicContact CH2-CE 3.85Å; W174-M180 HydrophobicContact CZ3-CE 3.64Å; W174-M180 HydrophobicContact CZ3-SD 4.08Å; W174-F196 HydrophobicContact CH2-CD1 4.32Å; W174-F196 HydrophobicContact CZ3-CB 4.11Å; W174-F196 HydrophobicContact CZ3-CD1 4.07Å; W174-F196 AromaticContact CZ3-CG 4Å; W174-F196 HydrophobicContact CZ3-CG 4Å; W174-Y313 HydrophobicContact CH2-CD1 4.18Å; W174-Y313 HydrophobicContact CH2-CD2 4.48Å; W174-Y313 AromaticContact CH2-CE1 3.7Å; W174-Y313 HydrophobicContact CH2-CE1 3.7Å; W174-Y313 HydrophobicContact CH2-CE2 4.05Å; W174-Y313 AromaticContact CH2-CZ 3.63Å; W174-Y313 HydrophobicContact CZ2-CE1 4.16Å; W174-Y313 HydrophobicContact CZ2-CE2 4.06Å; W174-Y313 AromaticContact CZ2-CZ 3.65Å; W174-Y313 WeakPolarHBondContact CZ2-OH 3.46Å
175	I	98.8	Very high	98.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.1	-40.4	175.8	-67.2	168.8	0	0	0	110.8	D171 K172 Q173 K178 R179 M180 L183 L184 P194 F196	D171-I175 VanDerWaalsContact O-CG1 3.27Å; D171-I175 WeakPolarHBondContact O-CG1 3.12Å; D171-I175 PolarHBondContact O-N 3.25Å; K172-I175 PolarHBondContact O-N 3.29Å; Q173-I175 VanDerWaalsContact C-N 3.31Å; Q173-I175 PolarHBondContact O-N 3.33Å; I175-K178 PolarHBondContact O-N 2.9Å; I175-R179 PolarHBondContact O-N 3.06Å; I175-M180 HydrophobicContact CG2-CB 3.79Å; I175-M180 HydrophobicContact CG2-CG 4.47Å; I175-M180 HydrophobicContact CG2-SD 4.26Å; I175-M180 PolarHBondContact O-N 3.03Å; I175-L183 HydrophobicContact CD1-CD2 4.2Å; I175-L183 HydrophobicContact CG2-CD1 4.4Å; I175-L183 HydrophobicContact CG2-CD2 3.94Å; I175-L184 HydrophobicContact CB-CD2 4.5Å; I175-L184 HydrophobicContact CG2-CD1 4.23Å; I175-L184 HydrophobicContact CG2-CD2 3.71Å; I175-L184 HydrophobicContact CG2-CG 3.72Å; I175-P194 HydrophobicContact CD1-CB 4.05Å; I175-P194 HydrophobicContact CD1-CG 4.38Å; I175-F196 HydrophobicContact CD1-CB 4.07Å; I175-F196 HydrophobicContact CG1-CB 3.98Å
176	T	98.6	Very high	98.6	Very high	74 Å²	74	56.5 Å²	56.5	45%	0.454	27%	0.274	S	S	.	.	H	α-helix	trans	-67.4	-44.4	177.5	-54.7	0	0	0	0	111.6	K172 Q173 W174 K178 R179	K172-T176 WeakPolarHBondContact O-CB 3.29Å; K172-T176 PolarHBondContact O-N 3.49Å; K172-T176 PolarHBondContact O-OG1 2.99Å; Q173-T176 WeakPolarHBondContact O-CA 3.46Å; Q173-T176 WeakPolarHBondContact O-CB 3.44Å; Q173-T176 PolarHBondContact O-N 3.07Å; W174-T176 VanDerWaalsContact C-N 3.27Å; W174-T176 PolarHBondContact O-N 3.33Å; T176-K178 VanDerWaalsContact C-N 3.27Å; T176-K178 PolarHBondContact O-N 3.43Å; T176-R179 PolarHBondContact O-N 3.28Å
177	E	98.5	Very high	98.6	Very high	125 Å²	125	51.9 Å²	51.9	58%	0.584	25%	0.253	S	S	*	.	H	α-helix	trans	-62.3	-34.1	176.3	-70.3	171	-173.4	0	0	112.4	Q173 W174 R179	Q173-E177 WeakPolarHBondContact CG-OE1 3.41Å; Q173-E177 PolarHBondContact NE2-OE1 2.92Å; Q173-E177 WeakPolarHBondContact O-CG 3.32Å; Q173-E177 PolarHBondContact O-N 3.33Å; W174-E177 PolarHBondContact O-N 3.21Å; E177-R179 PolarHBondContact O-N 3.22Å
178	K	98.4	Very high	98.6	Very high	77 Å²	77	54.3 Å²	54.3	34%	0.335	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-3.9	173.1	-70.7	-61.5	-170.7	-178	0	114.4	W174 I175 T176 M180	W174-K178 HydrophobicContact CD2-CG 3.95Å; W174-K178 HydrophobicContact CE3-CG 3.99Å; W174-K178 HydrophobicContact CH2-CD 4.45Å; W174-K178 HydrophobicContact CH2-CG 3.73Å; W174-K178 HydrophobicContact CZ2-CD 4.12Å; W174-K178 HydrophobicContact CZ2-CG 3.67Å; W174-K178 HydrophobicContact CZ3-CG 3.88Å; W174-K178 WeakPolarHBondContact O-CG 3.39Å; W174-K178 PolarHBondContact O-N 3.33Å; I175-K178 PolarHBondContact O-N 2.9Å; T176-K178 VanDerWaalsContact C-N 3.27Å; T176-K178 PolarHBondContact O-N 3.43Å; K178-M180 VanDerWaalsContact C-N 3.27Å; K178-M180 HydrophobicContact CB-CE 4.03Å; K178-M180 HydrophobicContact CB-CG 3.91Å; K178-M180 HydrophobicContact CB-SD 4.38Å; K178-M180 HydrophobicContact CG-CE 4.39Å; K178-M180 PolarHBondContact O-N 3.11Å
179	R	98.4	Very high	98.5	Very high	189 Å²	189	53.2 Å²	53.2	71%	0.713	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	37.5	-178.5	-56.1	179.8	-69.4	-174.3	-0.9	112.7	I175 T176 E177 G181 M289	I175-R179 PolarHBondContact O-N 3.06Å; T176-R179 PolarHBondContact O-N 3.28Å; E177-R179 PolarHBondContact O-N 3.22Å; R179-G181 PolarHBondContact O-N 3.38Å; R179-M289 WeakPolarHBondContact O-CA 3.37Å
180	M	98.8	Very high	98.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.			trans	-77.6	66	176	-63.1	-176.4	171.5	0	0	110.8	W174 I175 K178 A182 L183 L184 F196 M289 D309 Y313	W174-M180 HydrophobicContact CH2-CE 3.85Å; W174-M180 HydrophobicContact CZ3-CE 3.64Å; W174-M180 HydrophobicContact CZ3-SD 4.08Å; I175-M180 HydrophobicContact CG2-CB 3.79Å; I175-M180 HydrophobicContact CG2-CG 4.47Å; I175-M180 HydrophobicContact CG2-SD 4.26Å; I175-M180 PolarHBondContact O-N 3.03Å; K178-M180 VanDerWaalsContact C-N 3.27Å; K178-M180 HydrophobicContact CB-CE 4.03Å; K178-M180 HydrophobicContact CB-CG 3.91Å; K178-M180 HydrophobicContact CB-SD 4.38Å; K178-M180 HydrophobicContact CG-CE 4.39Å; K178-M180 PolarHBondContact O-N 3.11Å; M180-A182 VanDerWaalsContact C-N 3.34Å; M180-A182 PolarHBondContact O-N 2.73Å; M180-L183 HydrophobicContact CB-CB 4.16Å; M180-L183 PolarHBondContact O-N 2.87Å; M180-L183 HydrophobicContact SD-CD1 4.18Å; M180-L184 VanDerWaalsContact O-CG 3.3Å; M180-L184 WeakPolarHBondContact O-CG 3.35Å; M180-L184 PolarHBondContact O-N 3.26Å; M180-F196 HydrophobicContact CE-CD2 4.14Å; M180-F196 HydrophobicContact CE-CE2 3.91Å; M180-F196 HydrophobicContact CE-CZ 4.34Å; M180-F196 HydrophobicContact SD-CD2 3.87Å; M180-F196 HydrophobicContact SD-CE2 4.09Å; M180-M289 HydrophobicContact CE-SD 4.03Å; M180-M289 HydrophobicContact CG-SD 4.38Å; M180-D309 VanDerWaalsContact CA-CG 3.45Å; M180-D309 WeakPolarHBondContact CA-OD2 3.06Å; M180-D309 HydrophobicContact CB-CB 3.84Å; M180-D309 WeakPolarHBondContact CB-OD2 3.38Å; M180-D309 HydrophobicContact CG-CB 3.88Å; M180-D309 HydrophobicContact SD-CB 4.39Å; M180-Y313 HydrophobicContact CE-CD1 4.34Å; M180-Y313 HydrophobicContact CE-CD2 4.47Å; M180-Y313 HydrophobicContact CE-CG 3.98Å
181	G	98.7	Very high	98.4	Very high	22 Å²	22	57.3 Å²	57.3	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-69.9	-28	-171.5	0	0	0	0	0	113.9	R179 A185 F287 D309	R179-G181 PolarHBondContact O-N 3.38Å; G181-A185 VanDerWaalsContact O-CB 3.27Å; G181-A185 WeakPolarHBondContact O-CB 3.14Å; G181-A185 PolarHBondContact O-N 3.37Å; G181-F287 CarbonylContact C-O 3.49Å; G181-F287 WeakPolarHBondContact CA-O 3.18Å; G181-F287 PolarHBondContact N-O 3.38Å; G181-D309 PolarHBondContact N-OD2 2.92Å
182	A	98.7	Very high	98.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-70	-42.4	175.8	0	0	0	0	0	111	M180 A185 V186 F287 A288 I294 M305 D309	M180-A182 VanDerWaalsContact C-N 3.34Å; M180-A182 PolarHBondContact O-N 2.73Å; A182-A185 PolarHBondContact O-N 2.97Å; A182-V186 PolarHBondContact O-N 2.89Å; A182-F287 PolarHBondContact N-O 3.43Å; A182-A288 HydrophobicContact CB-CB 4.44Å; A182-I294 HydrophobicContact CB-CD1 4.09Å; A182-M305 HydrophobicContact CB-CB 4.2Å; A182-M305 HydrophobicContact CB-CE 3.95Å; A182-M305 WeakPolarHBondContact CB-O 3.27Å; A182-D309 WeakPolarHBondContact CA-OD2 3.47Å; A182-D309 WeakPolarHBondContact CB-OD2 3.44Å; A182-D309 PolarHBondContact N-OD2 2.95Å
183	L	98.8	Very high	98.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-49.9	173.9	-172	168.8	0	0	0	111.3	I175 M180 A185 V186 A187 P194 F196 P269 V271 I306 D309	I175-L183 HydrophobicContact CD1-CD2 4.2Å; I175-L183 HydrophobicContact CG2-CD1 4.4Å; I175-L183 HydrophobicContact CG2-CD2 3.94Å; M180-L183 HydrophobicContact CB-CB 4.16Å; M180-L183 PolarHBondContact O-N 2.87Å; M180-L183 HydrophobicContact SD-CD1 4.18Å; L183-A185 PolarHBondContact O-N 3.23Å; L183-V186 PolarHBondContact O-N 3.03Å; L183-V186 VanDerWaalsContact O-N 3.15Å; L183-A187 PolarHBondContact O-N 2.6Å; L183-A187 VanDerWaalsContact O-N 3.08Å; L183-P194 HydrophobicContact CD2-CB 3.9Å; L183-F196 HydrophobicContact CD1-CD2 3.96Å; L183-P269 HydrophobicContact CD1-CB 3.5Å; L183-P269 VanDerWaalsContact CD1-CB 3.5Å; L183-P269 HydrophobicContact CG-CB 4.25Å; L183-V271 HydrophobicContact CD2-CG1 3.77Å; L183-V271 HydrophobicContact CG-CG1 4.23Å; L183-I306 HydrophobicContact CG-CB 4.38Å; L183-I306 HydrophobicContact CG-CG2 4.41Å; L183-D309 HydrophobicContact CB-CB 4.38Å; L183-D309 WeakPolarHBondContact CB-OD2 3.5Å; L183-D309 PolarHBondContact N-OD2 3.19Å
184	L	98.7	Very high	98.3	Very high	37 Å²	37	51.3 Å²	51.3	19%	0.194	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-34.7	179.5	-71.9	167.3	0	0	0	112.4	K172 I175 M180 A187 K188	K172-L184 HydrophobicContact CG-CD2 4.19Å; I175-L184 HydrophobicContact CB-CD2 4.5Å; I175-L184 HydrophobicContact CG2-CD1 4.23Å; I175-L184 HydrophobicContact CG2-CD2 3.71Å; I175-L184 HydrophobicContact CG2-CG 3.72Å; M180-L184 VanDerWaalsContact O-CG 3.3Å; M180-L184 WeakPolarHBondContact O-CG 3.35Å; M180-L184 PolarHBondContact O-N 3.26Å; L184-A187 PolarHBondContact O-N 2.86Å; L184-K188 WeakPolarHBondContact O-CB 3.38Å; L184-K188 PolarHBondContact O-N 3.11Å; L184-K188 VanDerWaalsContact O-N 3.14Å
185	A	98.7	Very high	98.3	Very high	7 Å²	7	51 Å²	51	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-34.6	177.4	0	0	0	0	0	113.3	G181 A182 L183 K188 V280 V286	G181-A185 VanDerWaalsContact O-CB 3.27Å; G181-A185 WeakPolarHBondContact O-CB 3.14Å; G181-A185 PolarHBondContact O-N 3.37Å; A182-A185 PolarHBondContact O-N 2.97Å; L183-A185 PolarHBondContact O-N 3.23Å; A185-K188 WeakPolarHBondContact O-CE 3.44Å; A185-K188 VanDerWaalsContact O-CG 3.3Å; A185-K188 WeakPolarHBondContact O-CG 3.32Å; A185-V280 WeakPolarHBondContact O-CB 3.29Å; A185-V280 WeakPolarHBondContact O-CG1 3.16Å; A185-V286 HydrophobicContact CB-CB 4.3Å; A185-V286 HydrophobicContact CB-CG1 3.67Å; A185-V286 HydrophobicContact CB-CG2 4.47Å
186	V	98.7	Very high	98.3	Very high	6 Å²	6	51 Å²	51	4%	0.036	25%	0.252	C	S	.	.	H	α-helix	trans	-71.2	-48.2	173.5	175.7	0	0	0	0	110.3	A182 L183 K188 V271 N273 E302 M305 I306	A182-V186 PolarHBondContact O-N 2.89Å; L183-V186 PolarHBondContact O-N 3.03Å; L183-V186 VanDerWaalsContact O-N 3.15Å; V186-K188 PolarHBondContact O-N 3.2Å; V186-V271 HydrophobicContact CG1-CG2 3.84Å; V186-N273 HydrophobicContact CG1-CB 4.16Å; V186-E302 HydrophobicContact CB-CB 4.43Å; V186-E302 HydrophobicContact CG1-CB 3.73Å; V186-E302 HydrophobicContact CG1-CG 4.07Å; V186-E302 HydrophobicContact CG2-CB 3.78Å; V186-M305 HydrophobicContact CG2-CB 3.81Å; V186-M305 HydrophobicContact CG2-CG 4.37Å; V186-I306 HydrophobicContact CB-CG2 3.92Å; V186-I306 HydrophobicContact CG1-CG2 4.09Å; V186-I306 HydrophobicContact CG2-CG2 3.88Å
187	A	98.4	Very high	98.4	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.033	23%	0.23	C	C	.	.	H	α-helix	trans	-67.5	-30.6	-171.7	0	0	0	0	0	114.7	L183 L184 G189 S190 P194 V271	L183-A187 PolarHBondContact O-N 2.6Å; L183-A187 VanDerWaalsContact O-N 3.08Å; L184-A187 PolarHBondContact O-N 2.86Å; A187-G189 PolarHBondContact O-N 3.36Å; A187-S190 PolarHBondContact O-N 2.78Å; A187-S190 VanDerWaalsContact O-N 3.09Å; A187-P194 HydrophobicContact CB-CB 3.6Å; A187-P194 HydrophobicContact CB-CG 3.75Å; A187-V271 HydrophobicContact CB-CB 4.22Å; A187-V271 HydrophobicContact CB-CG1 3.88Å
188	K	97.7	Very high	98.4	Very high	93 Å²	93	41.9 Å²	41.9	40%	0.404	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11	-172	62.6	172.3	-170.7	179.1	0	115.4	L184 A185 V186 G278 V280	L184-K188 WeakPolarHBondContact O-CB 3.38Å; L184-K188 PolarHBondContact O-N 3.11Å; L184-K188 VanDerWaalsContact O-N 3.14Å; A185-K188 WeakPolarHBondContact O-CE 3.44Å; A185-K188 VanDerWaalsContact O-CG 3.3Å; A185-K188 WeakPolarHBondContact O-CG 3.32Å; V186-K188 PolarHBondContact O-N 3.2Å; K188-G278 WeakPolarHBondContact CD-O 3.5Å; K188-G278 VanDerWaalsContact CE-O 3.25Å; K188-G278 WeakPolarHBondContact CE-O 3.49Å; K188-G278 WeakPolarHBondContact CG-O 3.31Å; K188-V280 VanDerWaalsContact CE-N 3.29Å
189	G	97.4	Very high	98.4	Very high	12 Å²	12	38.2 Å²	38.2	12%	0.124	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-25.2	174.7	0	0	0	0	0	114.2	A187	A187-G189 PolarHBondContact O-N 3.36Å
190	S	97.8	Very high	98.4	Very high	23 Å²	23	30.9 Å²	30.9	16%	0.161	16%	0.161	C	C	.	.	S	Bend	trans	-97.1	157.4	-179.9	-172.8	0	0	0	0	112.4	A187 E192 E272	A187-S190 PolarHBondContact O-N 2.78Å; A187-S190 VanDerWaalsContact O-N 3.09Å; S190-E192 PolarHBondContact OG-N 2.91Å; S190-E272 PolarHBondContact OG-OE2 3.34Å
191	H	97.2	Very high	98.4	Very high	193 Å²	193	31 Å²	31	89%	0.894	16%	0.162	S	C	*	.	S	Bend	trans	-79	-20.8	166.1	-71.7	-67	0	0	0	112.6	L193	H191-L193 PolarHBondContact O-N 2.98Å
192	E	97.6	Very high	98.3	Very high	70 Å²	70	35.9 Å²	35.9	33%	0.327	18%	0.177	S	C	.	.	S	Bend	trans	-69.9	124.4	172.7	-71.3	-63.3	146.3	0	0	110	T147 S190 E272	T147-E192 WeakPolarHBondContact CB-OE2 3.43Å; T147-E192 HydrophobicContact CG2-CG 4.28Å; S190-E192 PolarHBondContact OG-N 2.91Å; E192-E272 HydrophobicContact CB-CG 4.3Å
193	L	97.8	Very high	98.1	Very high	110 Å²	110	36.4 Å²	36.4	58%	0.576	18%	0.181	S	C	*	.	P	Polyproline II helix	trans	-71.5	139.2	-176.7	-68	175.7	0	0	0	111	K172 H191	K172-L193 HydrophobicContact CD-CD2 4.18Å; H191-L193 PolarHBondContact O-N 2.98Å
194	P	98.6	Very high	97.8	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.032	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-67.7	142.5	174.4	28.3	-33.5	0	0	0	110.7	K172 I175 L183 A187 L270 V271	K172-P194 HydrophobicContact CB-CG 4.15Å; K172-P194 HydrophobicContact CD-CG 4.31Å; K172-P194 HydrophobicContact CG-CG 4.04Å; I175-P194 HydrophobicContact CD1-CB 4.05Å; I175-P194 HydrophobicContact CD1-CG 4.38Å; L183-P194 HydrophobicContact CD2-CB 3.9Å; A187-P194 HydrophobicContact CB-CB 3.6Å; A187-P194 HydrophobicContact CB-CG 3.75Å; P194-L270 WeakPolarHBondContact CA-O 3.37Å; P194-V271 HydrophobicContact CB-CG1 4.01Å
195	L	98.8	Very high	97.6	Very high	25 Å²	25	45 Å²	45	13%	0.131	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	155.6	169.2	-64.2	179.2	0	0	0	109.7	A149 A152 V169 R170 L270	A149-L195 HydrophobicContact CB-CD1 4.24Å; A152-L195 HydrophobicContact CB-CD1 3.94Å; V169-L195 HydrophobicContact CG1-CD1 3.94Å; V169-L195 HydrophobicContact CG1-CD2 4.16Å; V169-L195 HydrophobicContact CG1-CG 4.47Å; R170-L195 WeakPolarHBondContact O-CA 3.42Å; L195-L270 HydrophobicContact CB-CB 4.32Å; L195-L270 HydrophobicContact CB-CD1 4.41Å; L195-L270 PolarHBondContact N-O 2.82Å; L195-L270 WeakPolarHBondContact O-CA 3.1Å; L195-L270 PolarHBondContact O-N 3.01Å
196	F	98.9	Very high	97.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	111.2	169.2	-170.2	-72.1	0	0	0	108.1	R170 W174 I175 M180 L183 L267 P269 A310 Y313	R170-F196 HydrophobicContact CB-CB 4.07Å; R170-F196 VanDerWaalsContact CB-O 3.23Å; R170-F196 WeakPolarHBondContact CB-O 3.42Å; R170-F196 WeakPolarHBondContact CG-O 3.41Å; R170-F196 PolarHBondContact N-O 2.63Å; R170-F196 PolarHBondContact O-N 3.45Å; W174-F196 HydrophobicContact CH2-CD1 4.32Å; W174-F196 HydrophobicContact CZ3-CB 4.11Å; W174-F196 HydrophobicContact CZ3-CD1 4.07Å; W174-F196 AromaticContact CZ3-CG 4Å; W174-F196 HydrophobicContact CZ3-CG 4Å; I175-F196 HydrophobicContact CD1-CB 4.07Å; I175-F196 HydrophobicContact CG1-CB 3.98Å; M180-F196 HydrophobicContact CE-CD2 4.14Å; M180-F196 HydrophobicContact CE-CE2 3.91Å; M180-F196 HydrophobicContact CE-CZ 4.34Å; M180-F196 HydrophobicContact SD-CD2 3.87Å; M180-F196 HydrophobicContact SD-CE2 4.09Å; L183-F196 HydrophobicContact CD1-CD2 3.96Å; F196-L267 HydrophobicContact CE1-CB 4.02Å; F196-L267 HydrophobicContact CE1-CD2 3.81Å; F196-L267 HydrophobicContact CE1-CG 4.44Å; F196-L267 HydrophobicContact CZ-CB 3.83Å; F196-L267 HydrophobicContact CZ-CD2 4.23Å; F196-L267 HydrophobicContact CZ-CG 4.43Å; F196-P269 HydrophobicContact CD2-CB 4.06Å; F196-P269 HydrophobicContact CE2-CB 4.26Å; F196-A310 HydrophobicContact CE2-CB 3.87Å; F196-A310 HydrophobicContact CZ-CB 4.19Å; F196-Y313 AromaticContact CE1-CD1 3.77Å; F196-Y313 HydrophobicContact CE1-CD1 3.77Å; F196-Y313 AromaticContact CE1-CE1 3.98Å; F196-Y313 HydrophobicContact CE1-CE1 3.98Å; F196-Y313 AromaticContact CZ-CD1 3.69Å; F196-Y313 HydrophobicContact CZ-CD1 3.69Å; F196-Y313 HydrophobicContact CZ-CE1 4.37Å
197	L	98.8	Very high	97.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120	-177.4	-178.4	69.5	0	0	0	109.6	F151 A152 A155 V167 V169 V199 M268 L270	F151-L197 HydrophobicContact CD1-CD2 4.12Å; F151-L197 HydrophobicContact CE1-CD2 3.86Å; A152-L197 HydrophobicContact CB-CD1 4.38Å; A155-L197 HydrophobicContact CB-CD1 4.38Å; A155-L197 HydrophobicContact CB-CD2 3.49Å; A155-L197 VanDerWaalsContact CB-CD2 3.49Å; V167-L197 HydrophobicContact CG1-CD1 3.67Å; V169-L197 HydrophobicContact CG2-CD1 3.95Å; L197-V199 HydrophobicContact CD1-CG2 4.37Å; L197-V199 HydrophobicContact CD2-CG2 4.4Å; L197-V199 HydrophobicContact CG-CG2 4.04Å; L197-M268 HydrophobicContact CB-CB 4.2Å; L197-M268 HydrophobicContact CB-CE 4.27Å; L197-M268 HydrophobicContact CD2-CE 3.48Å; L197-M268 VanDerWaalsContact CD2-CE 3.48Å; L197-M268 HydrophobicContact CD2-SD 4.09Å; L197-M268 HydrophobicContact CG-CE 3.78Å; L197-M268 PolarHBondContact N-O 2.85Å; L197-M268 PolarHBondContact O-N 3.24Å; L197-L270 HydrophobicContact CB-CD1 3.88Å; L197-L270 HydrophobicContact CD2-CD1 4.47Å
198	E	98.8	Very high	96.9	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.033	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.2	-179.5	178.6	-174.5	147.9	0	0	108.8	I168 R170 H200 A266 L267 Y313	I168-E198 WeakPolarHBondContact CA-O 3.5Å; I168-E198 HydrophobicContact CB-CB 4.28Å; I168-E198 PolarHBondContact N-O 2.91Å; I168-E198 PolarHBondContact O-N 3.15Å; R170-E198 IonicContact CZ-OE2 3.76Å; R170-E198 IonicContact NE-OE2 3.57Å; R170-E198 PolarHBondContact NE-OE2 2.95Å; R170-E198 VanDerWaalsContact NE-OE2 3.14Å; R170-E198 IonicContact NH2-OE1 3.68Å; R170-E198 PolarHBondContact NH2-OE1 3.24Å; R170-E198 IonicContact NH2-OE2 2.67Å; R170-E198 PolarHBondContact NH2-OE2 3.33Å; E198-H200 IonicContact OE1-CD2 2.63Å; E198-H200 IonicContact OE1-CE1 3.52Å; E198-H200 IonicContact OE1-NE2 2.73Å; E198-H200 PolarHBondContact OE1-NE2 3.05Å; E198-A266 CarbonylContact C-O 3.48Å; E198-A266 WeakPolarHBondContact CA-O 3.29Å; E198-L267 HydrophobicContact CB-CD2 4.28Å; E198-L267 HydrophobicContact CG-CD2 3.9Å; E198-Y313 PolarHBondContact OE2-OH 3.17Å
199	V	98.8	Very high	96.8	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.4	-176.6	-177.1	0	0	0	0	110	L159 V165 Q166 V167 L197 I250 A266 M268	L159-V199 HydrophobicContact CD1-CG1 3.77Å; L159-V199 HydrophobicContact CD1-CG2 4.48Å; V165-V199 HydrophobicContact CG1-CG1 3.7Å; Q166-V199 CarbonylContact O-C 3.56Å; Q166-V199 VanDerWaalsContact O-CA 3.32Å; Q166-V199 WeakPolarHBondContact O-CA 3.33Å; V167-V199 HydrophobicContact CG1-CG2 4.28Å; V167-V199 HydrophobicContact CG2-CG1 4.27Å; V167-V199 HydrophobicContact CG2-CG2 4.27Å; L197-V199 HydrophobicContact CD1-CG2 4.37Å; L197-V199 HydrophobicContact CD2-CG2 4.4Å; L197-V199 HydrophobicContact CG-CG2 4.04Å; V199-I250 HydrophobicContact CG1-CG2 3.95Å; V199-A266 HydrophobicContact CB-CB 4.15Å; V199-A266 PolarHBondContact N-O 2.95Å; V199-A266 PolarHBondContact O-N 3.22Å; V199-M268 HydrophobicContact CG2-CE 3.86Å
200	H	98.6	Very high	96.9	Very high	35 Å²	35	55.8 Å²	55.8	16%	0.162	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.1	177.5	-66.6	-103.6	0	0	0	110	V165 Q166 E198 F317	V165-H200 CarbonylContact C-O 3.28Å; V165-H200 VanDerWaalsContact CA-O 3.24Å; V165-H200 WeakPolarHBondContact CA-O 3.45Å; Q166-H200 HydrophobicContact CB-CB 4.3Å; Q166-H200 PolarHBondContact N-O 3.28Å; Q166-H200 PolarHBondContact O-N 2.85Å; E198-H200 IonicContact OE1-CD2 2.63Å; E198-H200 IonicContact OE1-CE1 3.52Å; E198-H200 IonicContact OE1-NE2 2.73Å; E198-H200 PolarHBondContact OE1-NE2 3.05Å; H200-F317 AromaticContact CE1-CE1 3.85Å
201	Y	98.4	Very high	96.9	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.8	170.3	172.7	-96.8	0	0	0	109.3	N164 V165 L253 A254 A258 L260 I264	N164-Y201 WeakPolarHBondContact ND2-CE2 3.35Å; V165-Y201 HydrophobicContact CG2-CD2 3.8Å; Y201-L253 HydrophobicContact CE2-CB 4.47Å; Y201-L253 PolarHBondContact OH-O 2.91Å; Y201-A254 HydrophobicContact CD2-CB 4.44Å; Y201-A254 HydrophobicContact CE2-CB 4.12Å; Y201-A258 PolarHBondContact OH-N 2.97Å; Y201-A258 PolarHBondContact OH-O 2.79Å; Y201-L260 HydrophobicContact CD1-CD1 4.27Å; Y201-L260 HydrophobicContact CE1-CD1 3.78Å; Y201-L260 HydrophobicContact CE1-CG 4.31Å; Y201-I264 HydrophobicContact CD1-CB 4.44Å; Y201-I264 HydrophobicContact CD1-CD1 4.21Å; Y201-I264 HydrophobicContact CD1-CG1 4.35Å; Y201-I264 PolarHBondContact N-O 2.74Å; Y201-I264 PolarHBondContact O-N 3.11Å
202	K	97.4	Very high	96.9	Very high	124 Å²	124	45.6 Å²	45.6	54%	0.539	25%	0.248	S	C	.	.			trans	-93.7	121.3	179.1	-63.5	-174.7	-179.7	180	0	110.1	N164 D263	N164-K202 WeakPolarHBondContact CB-O 3.18Å; N164-K202 PolarHBondContact ND2-O 3.26Å; N164-K202 PolarHBondContact O-N 3.27Å; K202-D263 WeakPolarHBondContact CA-OD1 3.39Å
203	S	95.2	Very high	97	Very high	11 Å²	11	42.2 Å²	42.2	8%	0.077	23%	0.232	C	C	.	.			trans	-92	141.9	177.1	-161.6	0	0	0	0	111.7	K205 C206 A258 L260 D263	S203-K205 PolarHBondContact O-N 2.87Å; S203-C206 PolarHBondContact O-N 3.31Å; S203-A258 PolarHBondContact OG-O 3.28Å; S203-L260 PolarHBondContact OG-N 3.29Å; S203-L260 PolarHBondContact OG-O 2.72Å; S203-D263 PolarHBondContact N-OD1 3.16Å
204	S	92.3	Very high	97	Very high	100 Å²	100	37 Å²	37	70%	0.699	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.7	179.7	56.1	0	0	0	0	114
205	K	92.7	Very high	97	Very high	116 Å²	116	36.8 Å²	36.8	50%	0.504	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	22.8	-179.1	-64	-166.3	179.7	161.8	0	113.3	S203 T207 E259 L260	S203-K205 PolarHBondContact O-N 2.87Å; K205-T207 PolarHBondContact O-N 3.43Å; K205-E259 HydrophobicContact CD-CB 3.96Å; K205-E259 HydrophobicContact CD-CG 4.42Å; K205-E259 WeakPolarHBondContact CE-OE1 3.37Å; K205-E259 WeakPolarHBondContact CE-OE2 3.14Å; K205-E259 HydrophobicContact CG-CB 4.2Å; K205-E259 IonicContact NZ-OE1 2.72Å; K205-E259 PolarHBondContact NZ-OE1 3.4Å; K205-E259 IonicContact NZ-OE2 3.26Å; K205-E259 PolarHBondContact NZ-OE2 3.43Å; K205-L260 CarbonylContact C-O 3.56Å; K205-L260 VanDerWaalsContact C-O 3.27Å
206	C	92.9	Very high	97	Very high	48 Å²	48	35.7 Å²	35.7	32%	0.324	20%	0.197	S	C	.	.			trans	-59	125.3	178.1	-175.6	0	0	0	0	111.1	S203 D263	S203-C206 PolarHBondContact O-N 3.31Å; C206-D263 WeakPolarHBondContact CB-OD1 3.36Å; C206-D263 VanDerWaalsContact SG-CG 3.54Å; C206-D263 PolarHBondContact SG-N 3.39Å
207	T	94.5	Very high	97	Very high	121 Å²	121	35.7 Å²	35.7	74%	0.742	20%	0.197	S	C	*	.			trans	-137.9	-7.1	178.2	49.9	0	0	0	0	112.9	K205 S261	K205-T207 PolarHBondContact O-N 3.43Å; T207-S261 PolarHBondContact N-O 3.22Å
208	K	94.8	Very high	97	Very high	105 Å²	105	35.7 Å²	35.7	46%	0.457	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	165.9	-177.4	-59.4	177.7	-171	161.4	0	110.7	S261 S262 L444	K208-S261 PolarHBondContact N-O 2.89Å; K208-S261 PolarHBondContact NZ-OG 2.65Å; K208-S262 WeakPolarHBondContact CB-OG 3.31Å; K208-L444 PolarHBondContact NZ-O 3.35Å
209	A	96.4	Very high	97	Very high	47 Å²	47	35.4 Å²	35.4	39%	0.388	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	151.9	170.6	0	0	0	0	0	111.6	S262 A320	A209-S262 WeakPolarHBondContact O-CB 3.4Å; A209-S262 PolarHBondContact O-OG 3.08Å; A209-A320 HydrophobicContact CB-CB 4.14Å; A209-A320 WeakPolarHBondContact O-CB 3.4Å
210	P	97.8	Very high	97	Very high	29 Å²	29	37.4 Å²	37.4	19%	0.188	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	158.8	-171	27.3	-35.6	0	0	0	112.8	D263 V265 F317 P319 A320	P210-D263 CarbonylContact C-O 3.59Å; P210-D263 VanDerWaalsContact CA-O 3.31Å; P210-D263 WeakPolarHBondContact CA-O 3.48Å; P210-V265 HydrophobicContact CB-CG2 4.26Å; P210-F317 HydrophobicContact CG-CB 4.31Å; P210-F317 WeakPolarHBondContact CG-O 3.46Å; P210-P319 CarbonylContact O-C 3.58Å; P210-P319 WeakPolarHBondContact O-CA 3.11Å; P210-P319 WeakPolarHBondContact O-CB 3.48Å; P210-A320 PolarHBondContact O-N 3.37Å
211	I	98	Very high	97	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.6	166.3	-61.6	170.1	0	0	0	107.8	L213 D263 I264 V265 H321 L441 L444	I211-L213 HydrophobicContact CG2-CD2 4.42Å; I211-D263 PolarHBondContact N-O 2.67Å; I211-I264 HydrophobicContact CB-CG1 4.41Å; I211-I264 CarbonylContact O-C 3.54Å; I211-I264 VanDerWaalsContact O-CA 3.3Å; I211-I264 WeakPolarHBondContact O-CA 3.4Å; I211-V265 PolarHBondContact O-N 2.85Å; I211-H321 WeakPolarHBondContact CA-O 2.98Å; I211-H321 HydrophobicContact CG1-CB 4.25Å; I211-H321 HydrophobicContact CG2-CB 4.2Å; I211-L441 HydrophobicContact CD1-CD2 4.05Å; I211-L441 HydrophobicContact CG2-CD2 3.8Å; I211-L444 HydrophobicContact CD1-CB 4.06Å; I211-L444 HydrophobicContact CD1-CD1 3.84Å
212	C	98.5	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.2	172.5	-72.6	0	0	0	0	110.1	V265 A314 P319 H321 V322 I323	C212-V265 CarbonylContact C-O 3.15Å; C212-V265 VanDerWaalsContact CA-O 3.25Å; C212-V265 WeakPolarHBondContact CA-O 3.49Å; C212-A314 HydrophobicContact CB-CB 3.95Å; C212-P319 HydrophobicContact CB-CB 4.17Å; C212-H321 PolarHBondContact N-O 3.26Å; C212-V322 HydrophobicContact CB-CG2 4.16Å; C212-V322 CarbonylContact O-C 3.52Å; C212-V322 WeakPolarHBondContact O-CA 3.43Å; C212-I323 PolarHBondContact O-N 3.47Å
213	L	98.6	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.9	168	-64.7	-177.9	0	0	0	109.1	I211 V246 A249 I250 I264 V265 A266 L267 I323 L441	I211-L213 HydrophobicContact CG2-CD2 4.42Å; L213-V246 HydrophobicContact CB-CG1 3.7Å; L213-V246 HydrophobicContact CB-CG2 4.16Å; L213-V246 HydrophobicContact CD1-CG1 4.43Å; L213-A249 HydrophobicContact CD1-CB 4.29Å; L213-I250 HydrophobicContact CD1-CD1 4.26Å; L213-I264 HydrophobicContact CB-CG2 4.47Å; L213-I264 HydrophobicContact CD1-CG2 3.8Å; L213-I264 HydrophobicContact CG-CG2 3.79Å; L213-V265 PolarHBondContact N-O 2.62Å; L213-A266 HydrophobicContact CB-CB 4.34Å; L213-A266 CarbonylContact O-C 3.58Å; L213-A266 VanDerWaalsContact O-CA 3.3Å; L213-A266 WeakPolarHBondContact O-CA 3.34Å; L213-L267 PolarHBondContact O-N 2.63Å; L213-I323 CarbonylContact C-O 3.51Å; L213-I323 WeakPolarHBondContact CA-O 3.49Å; L213-I323 HydrophobicContact CD2-CB 3.84Å; L213-I323 HydrophobicContact CD2-CD1 4.31Å; L213-I323 HydrophobicContact CD2-CG2 4.46Å; L213-L441 HydrophobicContact CD1-CD1 3.82Å; L213-L441 HydrophobicContact CD2-CD1 4.32Å; L213-L441 HydrophobicContact CD2-CD2 4.14Å
214	V	98.8	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.6	179	-172.2	0	0	0	0	110.1	L267 L307 A310 L311 A314 V322 I323 D324 V325	V214-L267 CarbonylContact C-O 3.57Å; V214-L267 VanDerWaalsContact CA-O 3.27Å; V214-L267 WeakPolarHBondContact CA-O 3.45Å; V214-L267 HydrophobicContact CG2-CB 4.33Å; V214-L267 HydrophobicContact CG2-CD1 4.41Å; V214-L307 HydrophobicContact CG1-CD2 3.72Å; V214-A310 HydrophobicContact CG1-CB 3.56Å; V214-L311 HydrophobicContact CG2-CD2 4.24Å; V214-A314 HydrophobicContact CG2-CB 4.1Å; V214-V322 HydrophobicContact CG2-CG1 4.32Å; V214-I323 PolarHBondContact N-O 3.06Å; V214-D324 HydrophobicContact CB-CB 3.76Å; V214-D324 HydrophobicContact CG1-CB 4.44Å; V214-D324 CarbonylContact O-C 3.49Å; V214-D324 WeakPolarHBondContact O-CA 3.24Å; V214-V325 PolarHBondContact O-N 3.24Å
215	G	98.8	Very high	97.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.3	-175.9	0	0	0	0	0	112.9	G217 L267 P269 V325	G215-G217 PolarHBondContact O-N 2.91Å; G215-L267 PolarHBondContact N-O 3.01Å; G215-P269 WeakPolarHBondContact O-CD 3.39Å; G215-V325 WeakPolarHBondContact CA-O 3.07Å
216	K	98.8	Very high	97.5	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.013	14%	0.142	C	C	.	.			trans	-60.4	122.5	171.4	-178.6	-170.1	175.1	-179	0	109.4	V218 D239 M240 A243 E302 G303 I306 L307 V325 A326 T327	K216-V218 HydrophobicContact CD-CG2 4.39Å; K216-V218 HydrophobicContact CG-CG2 4.07Å; K216-D239 WeakPolarHBondContact CE-OD1 3.49Å; K216-D239 WeakPolarHBondContact CE-OD2 3.48Å; K216-D239 IonicContact NZ-OD1 2.95Å; K216-D239 PolarHBondContact NZ-OD1 2.95Å; K216-D239 IonicContact NZ-OD2 3.28Å; K216-D239 PolarHBondContact NZ-OD2 3.24Å; K216-M240 CarbonylContact O-C 3.59Å; K216-M240 WeakPolarHBondContact O-CA 3.44Å; K216-A243 WeakPolarHBondContact O-CB 3.19Å; K216-A243 PolarHBondContact O-N 3.23Å; K216-E302 WeakPolarHBondContact CE-OE1 3.48Å; K216-E302 IonicContact NZ-OE1 3.8Å; K216-E302 PolarHBondContact NZ-OE1 3.27Å; K216-G303 VanDerWaalsContact CE-CA 3.43Å; K216-I306 HydrophobicContact CG-CD1 4.09Å; K216-L307 HydrophobicContact CB-CD1 4.32Å; K216-L307 HydrophobicContact CB-CD2 4.39Å; K216-L307 HydrophobicContact CB-CG 4.44Å; K216-V325 PolarHBondContact N-O 3.49Å; K216-A326 HydrophobicContact CB-CB 3.54Å; K216-A326 HydrophobicContact CD-CB 4.14Å; K216-A326 HydrophobicContact CG-CB 4.4Å; K216-T327 WeakPolarHBondContact CD-O 3.22Å; K216-T327 PolarHBondContact NZ-O 3.38Å
217	G	98.8	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	54.1	-176.4	0	0	0	0	0	113.4	G215 C219 P269 L270 V271	G215-G217 PolarHBondContact O-N 2.91Å; G217-C219 PolarHBondContact O-N 3.27Å; G217-P269 CarbonylContact C-O 3.56Å; G217-P269 WeakPolarHBondContact CA-O 3.21Å; G217-P269 PolarHBondContact N-O 3.48Å; G217-L270 CarbonylContact O-C 3.51Å; G217-L270 VanDerWaalsContact O-CA 3.25Å; G217-L270 WeakPolarHBondContact O-CA 3.27Å; G217-V271 PolarHBondContact O-N 3.05Å
218	V	98.7	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	101.9	173.4	-176.3	0	0	0	0	108.4	K216 F220 D221 D239 M240 V271 N273 E302 I306	K216-V218 HydrophobicContact CD-CG2 4.39Å; K216-V218 HydrophobicContact CG-CG2 4.07Å; V218-F220 VanDerWaalsContact CG1-O 3.28Å; V218-F220 WeakPolarHBondContact CG1-O 3.12Å; V218-F220 PolarHBondContact O-N 3.05Å; V218-D221 HydrophobicContact CG1-CB 3.78Å; V218-D239 HydrophobicContact CB-CB 4.3Å; V218-D239 WeakPolarHBondContact CB-OD2 3.41Å; V218-D239 CarbonylContact O-C 3.59Å; V218-M240 WeakPolarHBondContact O-CB 3.48Å; V218-M240 PolarHBondContact O-N 3Å; V218-V271 CarbonylContact C-O 3.5Å; V218-V271 WeakPolarHBondContact CA-O 2.97Å; V218-V271 HydrophobicContact CG2-CG2 4.02Å; V218-N273 HydrophobicContact CG1-CB 4.21Å; V218-E302 HydrophobicContact CG2-CG 4.05Å; V218-I306 HydrophobicContact CG2-CD1 3.63Å
219	C	98.6	Very high	97.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	-28.2	-175.6	-74.6	0	0	0	0	112.9	S143 L146 P148 G217 V271 E272	S143-C219 VanDerWaalsContact CB-O 3.31Å; S143-C219 WeakPolarHBondContact CB-O 3.49Å; S143-C219 PolarHBondContact OG-O 3.24Å; L146-C219 WeakPolarHBondContact O-CB 3.36Å; L146-C219 PolarHBondContact O-SG 3.13Å; P148-C219 HydrophobicContact CG-CB 4.42Å; G217-C219 PolarHBondContact O-N 3.27Å; C219-V271 PolarHBondContact N-O 3.27Å; C219-E272 HydrophobicContact CB-CG 4.19Å
220	F	98.5	Very high	97.6	Very high	42 Å²	42	26.4 Å²	26.4	18%	0.184	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	134.5	166.7	-171.1	-110.8	0	0	0	110	S143 V218 M233 M236 E272 N273 M274	S143-F220 WeakPolarHBondContact OG-CD2 2.99Å; V218-F220 VanDerWaalsContact CG1-O 3.28Å; V218-F220 WeakPolarHBondContact CG1-O 3.12Å; V218-F220 PolarHBondContact O-N 3.05Å; F220-M233 HydrophobicContact CZ-CG 3.95Å; F220-M233 HydrophobicContact CZ-SD 4.41Å; F220-M236 HydrophobicContact CD2-CB 4.47Å; F220-M236 HydrophobicContact CE2-CB 4.33Å; F220-E272 HydrophobicContact CB-CG 4.38Å; F220-N273 PolarHBondContact O-N 3.41Å; F220-M274 HydrophobicContact CD1-SD 3.72Å; F220-M274 HydrophobicContact CE1-SD 4.14Å
221	D	98.1	Very high	97.2	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.011	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	98.2	178.6	-176.2	22.4	0	0	0	111.5	V218 G223 K228 M236 D239 N273	V218-D221 HydrophobicContact CG1-CB 3.78Å; D221-G223 WeakPolarHBondContact OD1-CA 3.4Å; D221-G223 PolarHBondContact OD1-N 3.4Å; D221-K228 WeakPolarHBondContact O-CE 3.48Å; D221-K228 WeakPolarHBondContact OD2-CE 3.28Å; D221-K228 IonicContact OD2-NZ 3.45Å; D221-K228 PolarHBondContact OD2-NZ 2.63Å; D221-M236 HydrophobicContact CB-CB 4.09Å; D221-M236 PolarHBondContact N-O 2.97Å; D221-M236 WeakPolarHBondContact O-CB 3.1Å; D221-M236 WeakPolarHBondContact O-CG 3.42Å; D221-D239 HydrophobicContact CB-CB 4.1Å; D221-D239 VanDerWaalsContact CB-OD2 3.27Å; D221-D239 WeakPolarHBondContact CB-OD2 3.47Å; D221-N273 WeakPolarHBondContact OD1-CB 3.42Å; D221-N273 PolarHBondContact OD1-ND2 3.37Å
222	S	97.8	Very high	96.4	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.021	21%	0.208	C	C	.	.			trans	-79.3	-11.5	170.6	67.4	0	0	0	0	112.9	G224 K228 N273 M274 P275	S222-G224 VanDerWaalsContact C-N 3.33Å; S222-G224 PolarHBondContact OG-N 3.18Å; S222-G224 VanDerWaalsContact OG-N 3.15Å; S222-K228 PolarHBondContact O-N 2.99Å; S222-N273 WeakPolarHBondContact CB-O 2.91Å; S222-N273 PolarHBondContact N-O 2.91Å; S222-N273 PolarHBondContact OG-O 3.06Å; S222-M274 WeakPolarHBondContact OG-CA 3.43Å; S222-P275 WeakPolarHBondContact OG-CD 3.46Å
223	G	97.2	Very high	96.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.217	C	C	.	.			trans	84.8	-5.4	-166.3	0	0	0	0	0	115.4	D221 N273 T299 D300	D221-G223 WeakPolarHBondContact OD1-CA 3.4Å; D221-G223 PolarHBondContact OD1-N 3.4Å; G223-N273 VanDerWaalsContact C-ND2 3.32Å; G223-N273 WeakPolarHBondContact CA-ND2 2.83Å; G223-T299 CarbonylContact O-C 3.05Å; G223-T299 WeakPolarHBondContact O-CB 3.38Å; G223-T299 PolarHBondContact O-OG1 2.94Å; G223-D300 WeakPolarHBondContact CA-OD1 3.31Å; G223-D300 PolarHBondContact O-N 2.84Å
224	G	98	Very high	95.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.01	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	-134.8	-178.8	0	0	0	0	0	112	S222 S226	S222-G224 VanDerWaalsContact C-N 3.33Å; S222-G224 PolarHBondContact OG-N 3.18Å; S222-G224 VanDerWaalsContact OG-N 3.15Å; G224-S226 VanDerWaalsContact C-N 3.34Å
225	I	98.2	Very high	95.5	Very high	80 Å²	80	40.5 Å²	40.5	41%	0.41	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-36.1	176.8	-62.3	-59.7	0	0	0	111.4	L227 P275 A279 V280 P282 T299	I225-L227 PolarHBondContact O-N 3.31Å; I225-P275 HydrophobicContact CD1-CB 4.48Å; I225-A279 HydrophobicContact CD1-CB 4.15Å; I225-A279 HydrophobicContact CG1-CB 4.08Å; I225-V280 VanDerWaalsContact CG1-O 3.32Å; I225-V280 WeakPolarHBondContact CG1-O 3.07Å; I225-P282 HydrophobicContact CG2-CG 4.24Å; I225-T299 HydrophobicContact CB-CG2 4.35Å; I225-T299 PolarHBondContact N-OG1 2.88Å
226	S	96.5	Very high	95.3	Very high	33 Å²	33	41.7 Å²	41.7	23%	0.231	27%	0.268	C	S	.	.	S	Bend	trans	-75.4	57.4	168	-56.3	0	0	0	0	110.9	G224 K228 N298 T299	G224-S226 VanDerWaalsContact C-N 3.34Å; S226-K228 PolarHBondContact O-N 2.79Å; S226-N298 WeakPolarHBondContact CB-OD1 3.34Å; S226-N298 PolarHBondContact OG-OD1 2.61Å; S226-T299 WeakPolarHBondContact CB-OG1 3.49Å; S226-T299 PolarHBondContact N-OG1 3.41Å; S226-T299 PolarHBondContact OG-N 2.74Å; S226-T299 VanDerWaalsContact OG-N 3.11Å; S226-T299 PolarHBondContact OG-OG1 3.41Å
227	L	97.2	Very high	95.2	Very high	104 Å²	104	44 Å²	44	55%	0.545	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-55.5	131.2	-168.7	-169.7	73.5	0	0	0	113	I225 M233 P275	I225-L227 PolarHBondContact O-N 3.31Å; L227-M233 HydrophobicContact CD1-CE 4.08Å; L227-M233 HydrophobicContact CG-CE 4.18Å; L227-P275 HydrophobicContact CD1-CG 4.28Å
228	K	95.3	Very high	95.1	Very high	37 Å²	37	45.5 Å²	45.5	16%	0.161	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-66.4	152.6	174.6	-66.9	-178.1	-160.8	-74.1	0	111.9	D221 S222 S226 M233 M236 D300	D221-K228 WeakPolarHBondContact O-CE 3.48Å; D221-K228 WeakPolarHBondContact OD2-CE 3.28Å; D221-K228 IonicContact OD2-NZ 3.45Å; D221-K228 PolarHBondContact OD2-NZ 2.63Å; S222-K228 PolarHBondContact O-N 2.99Å; S226-K228 PolarHBondContact O-N 2.79Å; K228-M233 HydrophobicContact CB-CE 4.11Å; K228-M233 WeakPolarHBondContact O-CE 3.47Å; K228-M236 HydrophobicContact CD-CG 3.68Å; K228-M236 HydrophobicContact CD-SD 3.79Å; K228-M236 WeakPolarHBondContact CE-SD 3.06Å; K228-D300 WeakPolarHBondContact CE-OD1 3.45Å; K228-D300 WeakPolarHBondContact CG-OD1 3.4Å; K228-D300 IonicContact NZ-OD1 2.71Å; K228-D300 PolarHBondContact NZ-OD1 3.12Å; K228-D300 IonicContact NZ-OD2 2.73Å; K228-D300 PolarHBondContact NZ-OD2 3.4Å
229	P	94.5	Very high	95	Very high	112 Å²	112	45.8 Å²	45.8	73%	0.727	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-61.8	147.6	167.7	-21.2	33.2	0	0	0	112.4	G231	P229-G231 VanDerWaalsContact C-N 3.32Å; P229-G231 PolarHBondContact O-N 3.1Å
230	S	93.4	Very high	95	Very high	107 Å²	107	45.8 Å²	45.8	75%	0.748	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-62.6	-32.1	-176.5	55.6	0	0	0	0	114.6	S232 M233	S230-S232 PolarHBondContact O-N 3.25Å; S230-M233 PolarHBondContact O-N 3.25Å
231	G	88.8	Confident	95	Very high	73 Å²	73	43.9 Å²	43.9	75%	0.753	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-61.1	-18.5	-168.5	0	0	0	0	0	116.4	P229	P229-G231 VanDerWaalsContact C-N 3.32Å; P229-G231 PolarHBondContact O-N 3.1Å
232	S	81.1	Confident	94.9	Very high	78 Å²	78	43.8 Å²	43.8	55%	0.545	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-135.7	14.4	175.6	-52.9	0	0	0	0	112.6	S230 A234 D235	S230-S232 PolarHBondContact O-N 3.25Å; S232-A234 VanDerWaalsContact C-N 3.34Å; S232-A234 PolarHBondContact O-N 2.94Å; S232-D235 WeakPolarHBondContact O-CB 3.41Å; S232-D235 PolarHBondContact O-N 3.37Å
233	M	93.9	Very high	95	Very high	40 Å²	40	43.6 Å²	43.6	20%	0.197	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-69.4	-32.9	-177.2	-168.5	-175.4	-71.9	0	0	112	F220 L227 K228 S230 D235 M236	F220-M233 HydrophobicContact CZ-CG 3.95Å; F220-M233 HydrophobicContact CZ-SD 4.41Å; L227-M233 HydrophobicContact CD1-CE 4.08Å; L227-M233 HydrophobicContact CG-CE 4.18Å; K228-M233 HydrophobicContact CB-CE 4.11Å; K228-M233 WeakPolarHBondContact O-CE 3.47Å; S230-M233 PolarHBondContact O-N 3.25Å; M233-D235 PolarHBondContact O-N 2.84Å; M233-D235 VanDerWaalsContact O-N 3.16Å; M233-M236 VanDerWaalsContact O-CB 3.29Å; M233-M236 WeakPolarHBondContact O-CB 3.24Å; M233-M236 WeakPolarHBondContact O-CG 3.46Å; M233-M236 PolarHBondContact O-N 3.41Å
234	A	92.3	Very high	95.1	Very high	74 Å²	74	43.6 Å²	43.6	61%	0.612	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-60.7	-25.8	176.7	0	0	0	0	0	113.1	S232 M236 R237	S232-A234 VanDerWaalsContact C-N 3.34Å; S232-A234 PolarHBondContact O-N 2.94Å; A234-M236 VanDerWaalsContact C-N 3.28Å; A234-R237 PolarHBondContact O-NH1 2.7Å
235	D	91.6	Very high	95.1	Very high	61 Å²	61	43.6 Å²	43.6	33%	0.326	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-73.5	-20	176.4	-82.4	-11.1	0	0	0	112.3	S232 M233 R237 Y238	S232-D235 WeakPolarHBondContact O-CB 3.41Å; S232-D235 PolarHBondContact O-N 3.37Å; M233-D235 PolarHBondContact O-N 2.84Å; M233-D235 VanDerWaalsContact O-N 3.16Å; D235-R237 PolarHBondContact O-N 3.45Å; D235-R237 IonicContact OD1-NH1 3.86Å; D235-R237 PolarHBondContact OD1-NH1 3.46Å; D235-Y238 HydrophobicContact CB-CD1 4.17Å; D235-Y238 HydrophobicContact CB-CE1 3.43Å; D235-Y238 VanDerWaalsContact CB-CE1 3.43Å; D235-Y238 WeakPolarHBondContact O-CD1 3.38Å; D235-Y238 WeakPolarHBondContact O-CE1 3.42Å; D235-Y238 PolarHBondContact O-N 2.84Å
236	M	95.3	Very high	95.1	Very high	24 Å²	24	39.8 Å²	39.8	12%	0.118	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-69.2	1.6	-179.6	-57.6	-64.8	93.5	0	0	114.2	F220 D221 K228 M233 A234 Y238 D239	F220-M236 HydrophobicContact CD2-CB 4.47Å; F220-M236 HydrophobicContact CE2-CB 4.33Å; D221-M236 HydrophobicContact CB-CB 4.09Å; D221-M236 PolarHBondContact N-O 2.97Å; D221-M236 WeakPolarHBondContact O-CB 3.1Å; D221-M236 WeakPolarHBondContact O-CG 3.42Å; K228-M236 HydrophobicContact CD-CG 3.68Å; K228-M236 HydrophobicContact CD-SD 3.79Å; K228-M236 WeakPolarHBondContact CE-SD 3.06Å; M233-M236 VanDerWaalsContact O-CB 3.29Å; M233-M236 WeakPolarHBondContact O-CB 3.24Å; M233-M236 WeakPolarHBondContact O-CG 3.46Å; M233-M236 PolarHBondContact O-N 3.41Å; A234-M236 VanDerWaalsContact C-N 3.28Å; M236-Y238 HydrophobicContact CE-CE2 4.06Å; M236-Y238 PolarHBondContact O-N 2.83Å; M236-D239 WeakPolarHBondContact O-CB 3.45Å; M236-D239 PolarHBondContact O-N 3.14Å
237	R	96.3	Very high	95.2	Very high	51 Å²	51	38.2 Å²	38.2	19%	0.192	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-62	-27.5	162.5	72.2	-174.8	-176.5	-74.3	-2.9	113.6	D140 S143 A234 D235 D239	D140-R237 PolarHBondContact O-NE 2.97Å; D140-R237 VanDerWaalsContact O-NE 3.15Å; D140-R237 IonicContact OD1-CZ 2.9Å; D140-R237 IonicContact OD1-NE 2.72Å; D140-R237 IonicContact OD1-NH2 3.74Å; D140-R237 PolarHBondContact OD1-NH2 2.92Å; S143-R237 VanDerWaalsContact OG-CA 3.26Å; S143-R237 WeakPolarHBondContact OG-CA 3.38Å; S143-R237 VanDerWaalsContact OG-CB 3.23Å; S143-R237 WeakPolarHBondContact OG-CB 3.42Å; A234-R237 PolarHBondContact O-NH1 2.7Å; D235-R237 PolarHBondContact O-N 3.45Å; D235-R237 IonicContact OD1-NH1 3.86Å; D235-R237 PolarHBondContact OD1-NH1 3.46Å; R237-D239 VanDerWaalsContact C-N 3.26Å; R237-D239 PolarHBondContact O-N 3.18Å
238	Y	95.1	Very high	95.3	Very high	33 Å²	33	33.3 Å²	33.3	13%	0.129	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-85.3	5.7	179	65.6	-119.5	0	0	0	113.4	S139 D235 M236 M240 S241 T327 A417 M429	S139-Y238 WeakPolarHBondContact O-CA 3.4Å; S139-Y238 VanDerWaalsContact O-CB 3.29Å; S139-Y238 WeakPolarHBondContact O-CB 3.32Å; D235-Y238 HydrophobicContact CB-CD1 4.17Å; D235-Y238 HydrophobicContact CB-CE1 3.43Å; D235-Y238 VanDerWaalsContact CB-CE1 3.43Å; D235-Y238 WeakPolarHBondContact O-CD1 3.38Å; D235-Y238 WeakPolarHBondContact O-CE1 3.42Å; D235-Y238 PolarHBondContact O-N 2.84Å; M236-Y238 HydrophobicContact CE-CE2 4.06Å; M236-Y238 PolarHBondContact O-N 2.83Å; Y238-M240 PolarHBondContact O-N 2.64Å; Y238-S241 WeakPolarHBondContact O-CB 3.23Å; Y238-S241 PolarHBondContact O-N 2.9Å; Y238-S241 PolarHBondContact O-OG 3.39Å; Y238-T327 HydrophobicContact CD2-CG2 4.3Å; Y238-A417 HydrophobicContact CD1-CB 4.48Å; Y238-A417 HydrophobicContact CE1-CB 4.01Å; Y238-M429 HydrophobicContact CD1-CE 3.38Å; Y238-M429 HydrophobicContact CD1-SD 3.6Å; Y238-M429 VanDerWaalsContact CD1-SD 3.6Å; Y238-M429 HydrophobicContact CE1-CE 4.16Å; Y238-M429 HydrophobicContact CE1-SD 4.47Å; Y238-M429 HydrophobicContact CG-CE 4.23Å; Y238-M429 HydrophobicContact CG-SD 3.98Å
239	D	97.5	Very high	95.5	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.032	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-0.2	-173	-160.9	37.5	0	0	0	114.5	K216 V218 D221 M236 R237 T327	K216-D239 WeakPolarHBondContact CE-OD1 3.49Å; K216-D239 WeakPolarHBondContact CE-OD2 3.48Å; K216-D239 IonicContact NZ-OD1 2.95Å; K216-D239 PolarHBondContact NZ-OD1 2.95Å; K216-D239 IonicContact NZ-OD2 3.28Å; K216-D239 PolarHBondContact NZ-OD2 3.24Å; V218-D239 HydrophobicContact CB-CB 4.3Å; V218-D239 WeakPolarHBondContact CB-OD2 3.41Å; V218-D239 CarbonylContact O-C 3.59Å; D221-D239 HydrophobicContact CB-CB 4.1Å; D221-D239 VanDerWaalsContact CB-OD2 3.27Å; D221-D239 WeakPolarHBondContact CB-OD2 3.47Å; M236-D239 WeakPolarHBondContact O-CB 3.45Å; M236-D239 PolarHBondContact O-N 3.14Å; R237-D239 VanDerWaalsContact C-N 3.26Å; R237-D239 PolarHBondContact O-N 3.18Å; D239-T327 WeakPolarHBondContact CA-OG1 3.42Å; D239-T327 PolarHBondContact O-OG1 3.43Å; D239-T327 WeakPolarHBondContact OD1-CB 3.38Å; D239-T327 VanDerWaalsContact OD1-O 3.09Å; D239-T327 PolarHBondContact OD1-OG1 3.48Å
240	M	98.3	Very high	95.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	6.5	169.5	49	58.9	67.9	0	0	113	L138 L146 F151 K216 V218 Y238 G242 A243 A244	L138-M240 HydrophobicContact CB-CE 3.89Å; L146-M240 HydrophobicContact CD2-CE 3.64Å; L146-M240 HydrophobicContact CD2-SD 4.2Å; F151-M240 HydrophobicContact CD2-CE 3.53Å; F151-M240 HydrophobicContact CE2-CE 3.25Å; F151-M240 HydrophobicContact CZ-CE 4.46Å; K216-M240 CarbonylContact O-C 3.59Å; K216-M240 WeakPolarHBondContact O-CA 3.44Å; V218-M240 WeakPolarHBondContact O-CB 3.48Å; V218-M240 PolarHBondContact O-N 3Å; Y238-M240 PolarHBondContact O-N 2.64Å; M240-G242 PolarHBondContact O-N 2.83Å; M240-G242 VanDerWaalsContact O-N 3.1Å; M240-A243 WeakPolarHBondContact O-CB 3.4Å; M240-A243 PolarHBondContact O-N 2.92Å; M240-A244 HydrophobicContact CE-CB 3.7Å; M240-A244 PolarHBondContact O-N 2.95Å
241	S	97.7	Very high	95.9	Very high	2 Å²	2	23 Å²	23	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-25.1	-176.2	-67.4	0	0	0	0	113.1	S139 Y238 C245	S139-S241 WeakPolarHBondContact CB-OG 3.5Å; S139-S241 PolarHBondContact OG-OG 2.88Å; Y238-S241 WeakPolarHBondContact O-CB 3.23Å; Y238-S241 PolarHBondContact O-N 2.9Å; Y238-S241 PolarHBondContact O-OG 3.39Å; S241-C245 VanDerWaalsContact O-CB 3.31Å; S241-C245 WeakPolarHBondContact O-CB 3.46Å; S241-C245 PolarHBondContact O-N 3.03Å
242	G	98.1	Very high	96.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.7	-53.5	171.1	0	0	0	0	0	112.1	M240 A244 C245 V246 V325	M240-G242 PolarHBondContact O-N 2.83Å; M240-G242 VanDerWaalsContact O-N 3.1Å; G242-A244 VanDerWaalsContact C-N 3.35Å; G242-A244 PolarHBondContact O-N 3.1Å; G242-C245 WeakPolarHBondContact O-CB 3.21Å; G242-C245 PolarHBondContact O-N 2.66Å; G242-V246 PolarHBondContact O-N 2.89Å; G242-V325 WeakPolarHBondContact CA-O 3.43Å
243	A	98.8	Very high	97.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.1	-42.4	173.7	0	0	0	0	0	112	F151 K216 M240 C245 V246 L247 M268 L270	F151-A243 HydrophobicContact CE1-CB 4.31Å; F151-A243 HydrophobicContact CE2-CB 4.39Å; F151-A243 HydrophobicContact CZ-CB 3.84Å; K216-A243 WeakPolarHBondContact O-CB 3.19Å; K216-A243 PolarHBondContact O-N 3.23Å; M240-A243 WeakPolarHBondContact O-CB 3.4Å; M240-A243 PolarHBondContact O-N 2.92Å; A243-C245 VanDerWaalsContact C-N 3.31Å; A243-C245 PolarHBondContact O-N 3.48Å; A243-V246 PolarHBondContact O-N 2.92Å; A243-L247 WeakPolarHBondContact O-CB 3.48Å; A243-L247 PolarHBondContact O-N 2.57Å; A243-M268 HydrophobicContact CB-CB 3.98Å; A243-M268 HydrophobicContact CB-CG 3.77Å; A243-M268 HydrophobicContact CB-SD 4.13Å; A243-M268 VanDerWaalsContact O-SD 3.37Å; A243-L270 HydrophobicContact CB-CD2 4.29Å
244	A	98.7	Very high	97.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.1	-42.2	175.4	0	0	0	0	0	112.3	V135 L138 F151 M240 G242 G248	V135-A244 HydrophobicContact CG1-CB 3.78Å; L138-A244 HydrophobicContact CB-CB 4.07Å; L138-A244 HydrophobicContact CD1-CB 4.19Å; F151-A244 HydrophobicContact CE2-CB 4.36Å; M240-A244 HydrophobicContact CE-CB 3.7Å; M240-A244 PolarHBondContact O-N 2.95Å; G242-A244 VanDerWaalsContact C-N 3.35Å; G242-A244 PolarHBondContact O-N 3.1Å; A244-G248 PolarHBondContact O-N 3.04Å
245	C	98.5	Very high	97.5	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.007	6%	0.062	C	C	.	.	H	α-helix	trans	-63.4	-45.7	177.6	-172.6	0	0	0	0	111.5	V135 S241 G242 A243 G248 A249 V325 L434	V135-C245 HydrophobicContact CG1-CB 4.45Å; S241-C245 VanDerWaalsContact O-CB 3.31Å; S241-C245 WeakPolarHBondContact O-CB 3.46Å; S241-C245 PolarHBondContact O-N 3.03Å; G242-C245 WeakPolarHBondContact O-CB 3.21Å; G242-C245 PolarHBondContact O-N 2.66Å; A243-C245 VanDerWaalsContact C-N 3.31Å; A243-C245 PolarHBondContact O-N 3.48Å; C245-G248 PolarHBondContact O-N 3.47Å; C245-A249 WeakPolarHBondContact O-CB 3.48Å; C245-A249 PolarHBondContact O-N 3.23Å; C245-V325 HydrophobicContact CB-CG1 4.15Å; C245-L434 VanDerWaalsContact O-CD1 3.28Å; C245-L434 WeakPolarHBondContact O-CD1 3.45Å
246	V	98.8	Very high	97.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.6	-50.1	177.6	167.5	0	0	0	0	111.5	L213 G242 A243 G248 A249 I250 A266 M268 V325	L213-V246 HydrophobicContact CB-CG1 3.7Å; L213-V246 HydrophobicContact CB-CG2 4.16Å; L213-V246 HydrophobicContact CD1-CG1 4.43Å; G242-V246 PolarHBondContact O-N 2.89Å; A243-V246 PolarHBondContact O-N 2.92Å; V246-G248 VanDerWaalsContact C-N 3.33Å; V246-G248 PolarHBondContact O-N 2.65Å; V246-A249 WeakPolarHBondContact O-CB 3.44Å; V246-A249 PolarHBondContact O-N 2.8Å; V246-A249 VanDerWaalsContact O-N 3.11Å; V246-I250 PolarHBondContact O-N 3.3Å; V246-A266 HydrophobicContact CG1-CB 3.53Å; V246-M268 HydrophobicContact CB-CG 4.43Å; V246-M268 HydrophobicContact CB-SD 4.35Å; V246-M268 HydrophobicContact CG1-CE 4.47Å; V246-M268 HydrophobicContact CG1-CG 4.19Å; V246-M268 HydrophobicContact CG1-SD 4.12Å; V246-V325 HydrophobicContact CG2-CB 4.4Å; V246-V325 HydrophobicContact CG2-CG2 4.23Å
247	L	98.8	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.9	-45.6	175.5	177.6	62.2	0	0	0	111.5	F134 L138 F151 A155 L159 A243 A249 I250 R251 M268	F134-L247 HydrophobicContact CE1-CD2 3.77Å; F134-L247 HydrophobicContact CE1-CG 3.88Å; F134-L247 HydrophobicContact CZ-CD2 3.9Å; F134-L247 HydrophobicContact CZ-CG 4.35Å; L138-L247 HydrophobicContact CD1-CD2 4.04Å; F151-L247 HydrophobicContact CE1-CD2 3.9Å; F151-L247 HydrophobicContact CZ-CB 4.3Å; F151-L247 HydrophobicContact CZ-CD2 3.8Å; A155-L247 HydrophobicContact CB-CD1 3.63Å; A155-L247 HydrophobicContact CB-CD2 3.64Å; A155-L247 HydrophobicContact CB-CG 4.29Å; L159-L247 HydrophobicContact CD1-CD1 3.66Å; L159-L247 HydrophobicContact CG-CD1 4.47Å; A243-L247 WeakPolarHBondContact O-CB 3.48Å; A243-L247 PolarHBondContact O-N 2.57Å; L247-A249 PolarHBondContact O-N 2.73Å; L247-I250 PolarHBondContact O-N 3.16Å; L247-R251 WeakPolarHBondContact O-CB 3.36Å; L247-R251 PolarHBondContact O-N 3.34Å; L247-M268 HydrophobicContact CB-SD 3.89Å
248	G	98.6	Very high	97.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.4	-35.1	176.2	0	0	0	0	0	112.4	A244 C245 V246 T252	A244-G248 PolarHBondContact O-N 3.04Å; C245-G248 PolarHBondContact O-N 3.47Å; V246-G248 VanDerWaalsContact C-N 3.33Å; V246-G248 PolarHBondContact O-N 2.65Å; G248-T252 VanDerWaalsContact O-CB 3.29Å; G248-T252 WeakPolarHBondContact O-CB 3.44Å; G248-T252 PolarHBondContact O-N 2.86Å; G248-T252 PolarHBondContact O-OG1 3.25Å
249	A	98.6	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.6	-47.2	179.7	0	0	0	0	0	110.6	L213 C245 V246 L247 R251 T252 L253 L434 V437 V438	L213-A249 HydrophobicContact CD1-CB 4.29Å; C245-A249 WeakPolarHBondContact O-CB 3.48Å; C245-A249 PolarHBondContact O-N 3.23Å; V246-A249 WeakPolarHBondContact O-CB 3.44Å; V246-A249 PolarHBondContact O-N 2.8Å; V246-A249 VanDerWaalsContact O-N 3.11Å; L247-A249 PolarHBondContact O-N 2.73Å; A249-R251 PolarHBondContact O-N 3.49Å; A249-T252 PolarHBondContact O-N 3.32Å; A249-L253 WeakPolarHBondContact O-CB 3.32Å; A249-L253 VanDerWaalsContact O-CG 3.29Å; A249-L253 WeakPolarHBondContact O-CG 3.28Å; A249-L253 PolarHBondContact O-N 3.37Å; A249-L434 HydrophobicContact CB-CD1 4.03Å; A249-V437 HydrophobicContact CB-CG1 4.14Å; A249-V438 HydrophobicContact CB-CG2 4.03Å
250	I	98.6	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58	-50.2	174.3	-59.5	-57.7	0	0	0	110.9	L159 V165 V199 L213 V246 L247 T252 L253 A254 I264 A266	L159-I250 HydrophobicContact CD1-CG2 4.37Å; L159-I250 HydrophobicContact CD2-CG2 4.2Å; V165-I250 HydrophobicContact CG1-CG2 4.29Å; V165-I250 HydrophobicContact CG2-CG2 4.36Å; V199-I250 HydrophobicContact CG1-CG2 3.95Å; L213-I250 HydrophobicContact CD1-CD1 4.26Å; V246-I250 PolarHBondContact O-N 3.3Å; L247-I250 PolarHBondContact O-N 3.16Å; I250-T252 VanDerWaalsContact C-N 3.26Å; I250-T252 PolarHBondContact O-N 3.03Å; I250-L253 PolarHBondContact O-N 3.43Å; I250-A254 WeakPolarHBondContact O-CB 3.36Å; I250-A254 PolarHBondContact O-N 2.66Å; I250-I264 HydrophobicContact CD1-CB 3.96Å; I250-I264 HydrophobicContact CD1-CD1 4.35Å; I250-I264 HydrophobicContact CD1-CG2 3.48Å; I250-I264 VanDerWaalsContact CD1-CG2 3.48Å; I250-A266 HydrophobicContact CD1-CB 4.02Å; I250-A266 HydrophobicContact CG1-CB 3.74Å
251	R	98.1	Very high	97.3	Very high	40 Å²	40	20 Å²	20	15%	0.151	10%	0.1	C	C	.	.	H	α-helix	trans	-56.4	-42.1	177.9	-175.8	-174.4	176.5	-86.3	-7.8	111.9	S130 L159 L247 A249 H255	S130-R251 PolarHBondContact OG-NH1 2.91Å; L159-R251 HydrophobicContact CD2-CB 3.98Å; L159-R251 HydrophobicContact CD2-CG 4.4Å; L247-R251 WeakPolarHBondContact O-CB 3.36Å; L247-R251 PolarHBondContact O-N 3.34Å; A249-R251 PolarHBondContact O-N 3.49Å; R251-H255 PolarHBondContact NH2-NE2 2.78Å; R251-H255 PolarHBondContact O-CD2 3.44Å; R251-H255 VanDerWaalsContact O-CD2 3.24Å; R251-H255 PolarHBondContact O-N 3.18Å
252	T	98.1	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69	-44.5	-179.3	-56.3	0	0	0	0	111.4	I127 L128 G131 G248 A249 I250 A254 H255 L256 V438	I127-T252 HydrophobicContact CG2-CG2 4.04Å; L128-T252 HydrophobicContact CD2-CG2 3.98Å; G131-T252 WeakPolarHBondContact CA-OG1 3.42Å; G248-T252 VanDerWaalsContact O-CB 3.29Å; G248-T252 WeakPolarHBondContact O-CB 3.44Å; G248-T252 PolarHBondContact O-N 2.86Å; G248-T252 PolarHBondContact O-OG1 3.25Å; A249-T252 PolarHBondContact O-N 3.32Å; I250-T252 VanDerWaalsContact C-N 3.26Å; I250-T252 PolarHBondContact O-N 3.03Å; T252-A254 VanDerWaalsContact C-N 3.33Å; T252-A254 PolarHBondContact O-N 3Å; T252-H255 PolarHBondContact O-N 2.94Å; T252-L256 HydrophobicContact CG2-CD1 4.07Å; T252-L256 WeakPolarHBondContact O-CB 3.29Å; T252-L256 VanDerWaalsContact O-CG 3.28Å; T252-L256 WeakPolarHBondContact O-CG 3.28Å; T252-L256 PolarHBondContact O-N 3.24Å; T252-V438 HydrophobicContact CG2-CG1 4.06Å; T252-V438 HydrophobicContact CG2-CG2 4.01Å
253	L	98.1	Very high	97.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-38.1	177	-70.2	166.5	0	0	0	112.2	Y201 A249 I250 L256 N257 A258 L260 I264 V438 L441 E442	Y201-L253 HydrophobicContact CE2-CB 4.47Å; Y201-L253 PolarHBondContact OH-O 2.91Å; A249-L253 WeakPolarHBondContact O-CB 3.32Å; A249-L253 VanDerWaalsContact O-CG 3.29Å; A249-L253 WeakPolarHBondContact O-CG 3.28Å; A249-L253 PolarHBondContact O-N 3.37Å; I250-L253 PolarHBondContact O-N 3.43Å; L253-L256 PolarHBondContact O-N 3.18Å; L253-N257 PolarHBondContact O-N 2.84Å; L253-N257 VanDerWaalsContact O-N 3.15Å; L253-A258 HydrophobicContact CB-CB 4.2Å; L253-A258 HydrophobicContact CD2-CB 3.64Å; L253-A258 PolarHBondContact O-N 3.45Å; L253-L260 HydrophobicContact CD1-CD1 4.19Å; L253-L260 HydrophobicContact CD2-CD1 4.35Å; L253-L260 HydrophobicContact CD2-CD2 4.38Å; L253-I264 HydrophobicContact CD1-CD1 3.36Å; L253-V438 HydrophobicContact CD2-CG1 3.9Å; L253-V438 HydrophobicContact CG-CG1 4.31Å; L253-L441 HydrophobicContact CD1-CB 4.42Å; L253-L441 HydrophobicContact CD1-CD1 3.84Å; L253-E442 HydrophobicContact CD2-CG 3.87Å
254	A	97.5	Very high	97.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-45.9	174.5	0	0	0	0	0	111.9	F162 V165 Y201 I250 T252 L256 N257	F162-A254 HydrophobicContact CB-CB 4.31Å; F162-A254 HydrophobicContact CD1-CB 3.6Å; F162-A254 HydrophobicContact CD2-CB 3.87Å; F162-A254 HydrophobicContact CE1-CB 3.72Å; F162-A254 HydrophobicContact CE2-CB 4Å; F162-A254 HydrophobicContact CG-CB 3.66Å; F162-A254 HydrophobicContact CZ-CB 3.91Å; V165-A254 HydrophobicContact CG2-CB 4.05Å; Y201-A254 HydrophobicContact CD2-CB 4.44Å; Y201-A254 HydrophobicContact CE2-CB 4.12Å; I250-A254 WeakPolarHBondContact O-CB 3.36Å; I250-A254 PolarHBondContact O-N 2.66Å; T252-A254 VanDerWaalsContact C-N 3.33Å; T252-A254 PolarHBondContact O-N 3Å; A254-L256 VanDerWaalsContact C-N 3.29Å; A254-L256 PolarHBondContact O-N 2.85Å; A254-N257 PolarHBondContact O-N 3.24Å
255	H	96.7	Very high	97.3	Very high	73 Å²	73	22.6 Å²	22.6	34%	0.338	11%	0.114	S	C	.	.	H	α-helix	trans	-63.4	-32.5	173.6	-82.8	-61	0	0	0	113.8	I127 F162 R251 T252 N257	I127-H255 HydrophobicContact CG2-CB 3.63Å; F162-H255 AromaticContact CE1-ND1 4Å; F162-H255 AromaticContact CZ-CD2 3.82Å; F162-H255 AromaticContact CZ-CE1 3.52Å; F162-H255 AromaticContact CZ-CG 3.72Å; F162-H255 AromaticContact CZ-ND1 3.54Å; F162-H255 AromaticContact CZ-NE2 3.73Å; R251-H255 PolarHBondContact NH2-NE2 2.78Å; R251-H255 PolarHBondContact O-CD2 3.44Å; R251-H255 VanDerWaalsContact O-CD2 3.24Å; R251-H255 PolarHBondContact O-N 3.18Å; T252-H255 PolarHBondContact O-N 2.94Å; H255-N257 PolarHBondContact O-N 2.87Å
256	L	95.9	Very high	97.3	Very high	34 Å²	34	22.5 Å²	22.5	18%	0.178	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.5	175.4	-72	170.2	0	0	0	113	R124 I127 T252 L253 A254 A258 V438	R124-L256 HydrophobicContact CB-CD2 4.43Å; R124-L256 HydrophobicContact CG-CD2 4.07Å; I127-L256 HydrophobicContact CB-CD2 4.01Å; I127-L256 HydrophobicContact CB-CG 4.48Å; I127-L256 HydrophobicContact CD1-CD2 3.88Å; I127-L256 HydrophobicContact CG2-CD2 3.84Å; I127-L256 HydrophobicContact CG2-CG 3.75Å; T252-L256 HydrophobicContact CG2-CD1 4.07Å; T252-L256 WeakPolarHBondContact O-CB 3.29Å; T252-L256 VanDerWaalsContact O-CG 3.28Å; T252-L256 WeakPolarHBondContact O-CG 3.28Å; T252-L256 PolarHBondContact O-N 3.24Å; L253-L256 PolarHBondContact O-N 3.18Å; A254-L256 VanDerWaalsContact C-N 3.29Å; A254-L256 PolarHBondContact O-N 2.85Å; L256-A258 HydrophobicContact CB-CB 4.42Å; L256-A258 PolarHBondContact O-N 3.4Å; L256-V438 HydrophobicContact CD1-CG1 4.01Å
257	N	94.4	Very high	97.3	Very high	118 Å²	118	22.5 Å²	22.5	63%	0.631	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	46.6	-165.2	-62.6	-64.5	0	0	0	111.3	L253 A254 H255 E259	L253-N257 PolarHBondContact O-N 2.84Å; L253-N257 VanDerWaalsContact O-N 3.15Å; A254-N257 PolarHBondContact O-N 3.24Å; H255-N257 PolarHBondContact O-N 2.87Å; N257-E259 PolarHBondContact O-N 2.86Å
258	A	95.4	Very high	97.3	Very high	7 Å²	7	22.5 Å²	22.5	6%	0.058	11%	0.114	C	C	.	.			trans	-61.7	123.9	-171.8	0	0	0	0	0	112.4	Y201 S203 L253 L256 L260	Y201-A258 PolarHBondContact OH-N 2.97Å; Y201-A258 PolarHBondContact OH-O 2.79Å; S203-A258 PolarHBondContact OG-O 3.28Å; L253-A258 HydrophobicContact CB-CB 4.2Å; L253-A258 HydrophobicContact CD2-CB 3.64Å; L253-A258 PolarHBondContact O-N 3.45Å; L256-A258 HydrophobicContact CB-CB 4.42Å; L256-A258 PolarHBondContact O-N 3.4Å; A258-L260 HydrophobicContact CB-CD2 3.98Å; A258-L260 HydrophobicContact CB-CG 4.13Å; A258-L260 PolarHBondContact O-N 3.47Å
259	E	92.9	Very high	97.4	Very high	117 Å²	117	22.5 Å²	22.5	55%	0.547	11%	0.114	S	C	.	.			trans	-90	89.5	175.2	-59	-175.3	130.8	0	0	109.4	K205 N257	K205-E259 HydrophobicContact CD-CB 3.96Å; K205-E259 HydrophobicContact CD-CG 4.42Å; K205-E259 WeakPolarHBondContact CE-OE1 3.37Å; K205-E259 WeakPolarHBondContact CE-OE2 3.14Å; K205-E259 HydrophobicContact CG-CB 4.2Å; K205-E259 IonicContact NZ-OE1 2.72Å; K205-E259 PolarHBondContact NZ-OE1 3.4Å; K205-E259 IonicContact NZ-OE2 3.26Å; K205-E259 PolarHBondContact NZ-OE2 3.43Å; N257-E259 PolarHBondContact O-N 2.86Å
260	L	96.6	Very high	97.4	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	11%	0.114	C	C	.	.			trans	-93.5	153.5	-176.9	-53.8	-177	0	0	0	111.2	Y201 S203 K205 L253 A258 S262 I264 E442	Y201-L260 HydrophobicContact CD1-CD1 4.27Å; Y201-L260 HydrophobicContact CE1-CD1 3.78Å; Y201-L260 HydrophobicContact CE1-CG 4.31Å; S203-L260 PolarHBondContact OG-N 3.29Å; S203-L260 PolarHBondContact OG-O 2.72Å; K205-L260 CarbonylContact C-O 3.56Å; K205-L260 VanDerWaalsContact C-O 3.27Å; L253-L260 HydrophobicContact CD1-CD1 4.19Å; L253-L260 HydrophobicContact CD2-CD1 4.35Å; L253-L260 HydrophobicContact CD2-CD2 4.38Å; A258-L260 HydrophobicContact CB-CD2 3.98Å; A258-L260 HydrophobicContact CB-CG 4.13Å; A258-L260 PolarHBondContact O-N 3.47Å; L260-S262 WeakPolarHBondContact CB-O 3.45Å; L260-S262 PolarHBondContact O-N 3.14Å; L260-I264 HydrophobicContact CD1-CD1 3.5Å; L260-I264 VanDerWaalsContact CD1-CD1 3.5Å; L260-I264 HydrophobicContact CD1-CG1 4.1Å; L260-E442 HydrophobicContact CD2-CB 4.31Å; L260-E442 HydrophobicContact CD2-CG 3.93Å
261	S	95.5	Very high	97.4	Very high	23 Å²	23	22.5 Å²	22.5	16%	0.161	11%	0.114	C	C	.	.	S	Bend	trans	-76.5	-11.7	176.2	71.2	0	0	0	0	113.7	T207 K208 L444	T207-S261 PolarHBondContact N-O 3.22Å; K208-S261 PolarHBondContact N-O 2.89Å; K208-S261 PolarHBondContact NZ-OG 2.65Å; S261-L444 VanDerWaalsContact OG-C 3.24Å; S261-L444 PolarHBondContact OG-O 3.14Å; S261-L444 VanDerWaalsContact OG-O 3.08Å; S261-L444 PolarHBondContact OG-OXT 2.73Å
262	S	97.3	Very high	97.4	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.014	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.4	-177.7	-46.1	0	0	0	0	109.9	K208 A209 L260	K208-S262 WeakPolarHBondContact CB-OG 3.31Å; A209-S262 WeakPolarHBondContact O-CB 3.4Å; A209-S262 PolarHBondContact O-OG 3.08Å; L260-S262 WeakPolarHBondContact CB-O 3.45Å; L260-S262 PolarHBondContact O-N 3.14Å
263	D	98	Very high	97.4	Very high	48 Å²	48	21.8 Å²	21.8	26%	0.257	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	159.6	163.9	-69.7	-21.9	0	0	0	110.4	K202 S203 C206 P210 I211	K202-D263 WeakPolarHBondContact CA-OD1 3.39Å; S203-D263 PolarHBondContact N-OD1 3.16Å; C206-D263 WeakPolarHBondContact CB-OD1 3.36Å; C206-D263 VanDerWaalsContact SG-CG 3.54Å; C206-D263 PolarHBondContact SG-N 3.39Å; P210-D263 CarbonylContact C-O 3.59Å; P210-D263 VanDerWaalsContact CA-O 3.31Å; P210-D263 WeakPolarHBondContact CA-O 3.48Å; I211-D263 PolarHBondContact N-O 2.67Å
264	I	98.6	Very high	97.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.1	175.1	-56.4	169.7	0	0	0	110.1	Y201 I211 L213 I250 L253 L260 L441	Y201-I264 HydrophobicContact CD1-CB 4.44Å; Y201-I264 HydrophobicContact CD1-CD1 4.21Å; Y201-I264 HydrophobicContact CD1-CG1 4.35Å; Y201-I264 PolarHBondContact N-O 2.74Å; Y201-I264 PolarHBondContact O-N 3.11Å; I211-I264 HydrophobicContact CB-CG1 4.41Å; I211-I264 CarbonylContact O-C 3.54Å; I211-I264 VanDerWaalsContact O-CA 3.3Å; I211-I264 WeakPolarHBondContact O-CA 3.4Å; L213-I264 HydrophobicContact CB-CG2 4.47Å; L213-I264 HydrophobicContact CD1-CG2 3.8Å; L213-I264 HydrophobicContact CG-CG2 3.79Å; I250-I264 HydrophobicContact CD1-CB 3.96Å; I250-I264 HydrophobicContact CD1-CD1 4.35Å; I250-I264 HydrophobicContact CD1-CG2 3.48Å; I250-I264 VanDerWaalsContact CD1-CG2 3.48Å; L253-I264 HydrophobicContact CD1-CD1 3.36Å; L260-I264 HydrophobicContact CD1-CD1 3.5Å; L260-I264 VanDerWaalsContact CD1-CD1 3.5Å; L260-I264 HydrophobicContact CD1-CG1 4.1Å; I264-L441 HydrophobicContact CD1-CD1 4.14Å; I264-L441 HydrophobicContact CD1-CD2 4.33Å
265	V	98.7	Very high	97.5	Very high	6 Å²	6	27.2 Å²	27.2	4%	0.036	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	114.5	168.4	-176	0	0	0	0	108.1	P210 I211 C212 L213 L267 F317	P210-V265 HydrophobicContact CB-CG2 4.26Å; I211-V265 PolarHBondContact O-N 2.85Å; C212-V265 CarbonylContact C-O 3.15Å; C212-V265 VanDerWaalsContact CA-O 3.25Å; C212-V265 WeakPolarHBondContact CA-O 3.49Å; L213-V265 PolarHBondContact N-O 2.62Å; V265-L267 HydrophobicContact CG1-CD2 3.76Å; V265-L267 HydrophobicContact CG1-CG 4.18Å; V265-F317 HydrophobicContact CG1-CD1 4.34Å; V265-F317 HydrophobicContact CG1-CD2 4.27Å; V265-F317 HydrophobicContact CG1-CE1 4.09Å; V265-F317 HydrophobicContact CG1-CE2 4Å; V265-F317 HydrophobicContact CG1-CG 4.43Å; V265-F317 HydrophobicContact CG1-CZ 3.9Å; V265-F317 HydrophobicContact CG2-CD1 4.11Å; V265-F317 HydrophobicContact CG2-CE1 4.43Å; V265-F317 HydrophobicContact CG2-CG 4.42Å
266	A	98.9	Very high	97.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.9	178	0	0	0	0	0	110.7	E198 V199 L213 V246 I250 M268	E198-A266 CarbonylContact C-O 3.48Å; E198-A266 WeakPolarHBondContact CA-O 3.29Å; V199-A266 HydrophobicContact CB-CB 4.15Å; V199-A266 PolarHBondContact N-O 2.95Å; V199-A266 PolarHBondContact O-N 3.22Å; L213-A266 HydrophobicContact CB-CB 4.34Å; L213-A266 CarbonylContact O-C 3.58Å; L213-A266 VanDerWaalsContact O-CA 3.3Å; L213-A266 WeakPolarHBondContact O-CA 3.34Å; V246-A266 HydrophobicContact CG1-CB 3.53Å; I250-A266 HydrophobicContact CD1-CB 4.02Å; I250-A266 HydrophobicContact CG1-CB 3.74Å; A266-M268 HydrophobicContact CB-CE 4.31Å
267	L	98.9	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.6	-172.7	-55.6	175.7	0	0	0	109.7	F196 E198 L213 V214 G215 V265 Y313 A314 F317	F196-L267 HydrophobicContact CE1-CB 4.02Å; F196-L267 HydrophobicContact CE1-CD2 3.81Å; F196-L267 HydrophobicContact CE1-CG 4.44Å; F196-L267 HydrophobicContact CZ-CB 3.83Å; F196-L267 HydrophobicContact CZ-CD2 4.23Å; F196-L267 HydrophobicContact CZ-CG 4.43Å; E198-L267 HydrophobicContact CB-CD2 4.28Å; E198-L267 HydrophobicContact CG-CD2 3.9Å; L213-L267 PolarHBondContact O-N 2.63Å; V214-L267 CarbonylContact C-O 3.57Å; V214-L267 VanDerWaalsContact CA-O 3.27Å; V214-L267 WeakPolarHBondContact CA-O 3.45Å; V214-L267 HydrophobicContact CG2-CB 4.33Å; V214-L267 HydrophobicContact CG2-CD1 4.41Å; G215-L267 PolarHBondContact N-O 3.01Å; V265-L267 HydrophobicContact CG1-CD2 3.76Å; V265-L267 HydrophobicContact CG1-CG 4.18Å; L267-Y313 HydrophobicContact CD1-CD1 4.02Å; L267-Y313 HydrophobicContact CD2-CD1 3.92Å; L267-Y313 HydrophobicContact CD2-CE1 3.88Å; L267-A314 HydrophobicContact CD1-CB 3.71Å; L267-F317 HydrophobicContact CD1-CE2 4.25Å; L267-F317 HydrophobicContact CD2-CE2 4.19Å
268	M	98.9	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	99.9	-175.3	-66.8	158.9	-77.9	0	0	109.5	F151 L197 V199 A243 V246 L247 A266 L270	F151-M268 HydrophobicContact CE1-SD 4.08Å; F151-M268 HydrophobicContact CZ-SD 4.38Å; L197-M268 HydrophobicContact CB-CB 4.2Å; L197-M268 HydrophobicContact CB-CE 4.27Å; L197-M268 HydrophobicContact CD2-CE 3.48Å; L197-M268 VanDerWaalsContact CD2-CE 3.48Å; L197-M268 HydrophobicContact CD2-SD 4.09Å; L197-M268 HydrophobicContact CG-CE 3.78Å; L197-M268 PolarHBondContact N-O 2.85Å; L197-M268 PolarHBondContact O-N 3.24Å; V199-M268 HydrophobicContact CG2-CE 3.86Å; A243-M268 HydrophobicContact CB-CB 3.98Å; A243-M268 HydrophobicContact CB-CG 3.77Å; A243-M268 HydrophobicContact CB-SD 4.13Å; A243-M268 VanDerWaalsContact O-SD 3.37Å; V246-M268 HydrophobicContact CB-CG 4.43Å; V246-M268 HydrophobicContact CB-SD 4.35Å; V246-M268 HydrophobicContact CG1-CE 4.47Å; V246-M268 HydrophobicContact CG1-CG 4.19Å; V246-M268 HydrophobicContact CG1-SD 4.12Å; L247-M268 HydrophobicContact CB-SD 3.89Å; A266-M268 HydrophobicContact CB-CE 4.31Å; M268-L270 HydrophobicContact CB-CD2 4.46Å; M268-L270 PolarHBondContact O-N 3.32Å
269	P	98.9	Very high	97.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	122.9	167.4	29.5	-35.7	0	0	0	109.7	L183 F196 G215 G217 I306 A310	L183-P269 HydrophobicContact CD1-CB 3.5Å; L183-P269 VanDerWaalsContact CD1-CB 3.5Å; L183-P269 HydrophobicContact CG-CB 4.25Å; F196-P269 HydrophobicContact CD2-CB 4.06Å; F196-P269 HydrophobicContact CE2-CB 4.26Å; G215-P269 WeakPolarHBondContact O-CD 3.39Å; G217-P269 CarbonylContact C-O 3.56Å; G217-P269 WeakPolarHBondContact CA-O 3.21Å; G217-P269 PolarHBondContact N-O 3.48Å; P269-I306 HydrophobicContact CB-CB 4.08Å; P269-I306 HydrophobicContact CB-CD1 4.29Å; P269-I306 HydrophobicContact CB-CG1 4.34Å; P269-I306 HydrophobicContact CG-CB 4.05Å; P269-I306 HydrophobicContact CG-CD1 3.92Å; P269-I306 HydrophobicContact CG-CG1 3.85Å; P269-A310 HydrophobicContact CG-CB 3.95Å
270	L	98.9	Very high	97.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.6	-175	-58.8	169.2	0	0	0	110.3	P148 F151 A152 P194 L195 L197 G217 A243 M268	P148-L270 HydrophobicContact CB-CB 3.82Å; F151-L270 HydrophobicContact CB-CD1 4.28Å; F151-L270 HydrophobicContact CB-CD2 4.34Å; F151-L270 HydrophobicContact CD1-CD1 3.6Å; F151-L270 HydrophobicContact CD1-CD2 3.5Å; F151-L270 VanDerWaalsContact CD1-CD2 3.5Å; F151-L270 HydrophobicContact CD1-CG 4.22Å; F151-L270 HydrophobicContact CD2-CD2 4.5Å; F151-L270 HydrophobicContact CE1-CD1 4.39Å; F151-L270 HydrophobicContact CE1-CD2 3.87Å; F151-L270 HydrophobicContact CG-CD1 4.27Å; F151-L270 HydrophobicContact CG-CD2 3.85Å; A152-L270 HydrophobicContact CB-CD1 4.33Å; P194-L270 WeakPolarHBondContact CA-O 3.37Å; L195-L270 HydrophobicContact CB-CB 4.32Å; L195-L270 HydrophobicContact CB-CD1 4.41Å; L195-L270 PolarHBondContact N-O 2.82Å; L195-L270 WeakPolarHBondContact O-CA 3.1Å; L195-L270 PolarHBondContact O-N 3.01Å; L197-L270 HydrophobicContact CB-CD1 3.88Å; L197-L270 HydrophobicContact CD2-CD1 4.47Å; G217-L270 CarbonylContact O-C 3.51Å; G217-L270 VanDerWaalsContact O-CA 3.25Å; G217-L270 WeakPolarHBondContact O-CA 3.27Å; A243-L270 HydrophobicContact CB-CD2 4.29Å; M268-L270 HydrophobicContact CB-CD2 4.46Å; M268-L270 PolarHBondContact O-N 3.32Å
271	V	98.8	Very high	97.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	171.8	-176.6	-54.7	0	0	0	0	111.1	L183 V186 A187 P194 G217 V218 C219 I306	L183-V271 HydrophobicContact CD2-CG1 3.77Å; L183-V271 HydrophobicContact CG-CG1 4.23Å; V186-V271 HydrophobicContact CG1-CG2 3.84Å; A187-V271 HydrophobicContact CB-CB 4.22Å; A187-V271 HydrophobicContact CB-CG1 3.88Å; P194-V271 HydrophobicContact CB-CG1 4.01Å; G217-V271 PolarHBondContact O-N 3.05Å; V218-V271 CarbonylContact C-O 3.5Å; V218-V271 WeakPolarHBondContact CA-O 2.97Å; V218-V271 HydrophobicContact CG2-CG2 4.02Å; C219-V271 PolarHBondContact N-O 3.27Å; V271-I306 HydrophobicContact CG1-CG2 4.48Å; V271-I306 HydrophobicContact CG2-CD1 4.21Å; V271-I306 HydrophobicContact CG2-CG2 4.02Å
272	E	98.7	Very high	98	Very high	21 Å²	21	26.6 Å²	26.6	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	151	155.5	-66.4	-175.5	155.3	0	0	109.6	S190 E192 C219 F220 M274	S190-E272 PolarHBondContact OG-OE2 3.34Å; E192-E272 HydrophobicContact CB-CG 4.3Å; C219-E272 HydrophobicContact CB-CG 4.19Å; F220-E272 HydrophobicContact CB-CG 4.38Å; E272-M274 HydrophobicContact CB-CG 4.1Å
273	N	98.6	Very high	98	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	103.5	172.2	-174.2	28.2	0	0	0	109.4	V186 V218 F220 D221 S222 G223 T299 E302	V186-N273 HydrophobicContact CG1-CB 4.16Å; V218-N273 HydrophobicContact CG1-CB 4.21Å; F220-N273 PolarHBondContact O-N 3.41Å; D221-N273 WeakPolarHBondContact OD1-CB 3.42Å; D221-N273 PolarHBondContact OD1-ND2 3.37Å; S222-N273 WeakPolarHBondContact CB-O 2.91Å; S222-N273 PolarHBondContact N-O 2.91Å; S222-N273 PolarHBondContact OG-O 3.06Å; G223-N273 VanDerWaalsContact C-ND2 3.32Å; G223-N273 WeakPolarHBondContact CA-ND2 2.83Å; N273-T299 PolarHBondContact ND2-O 2.72Å; N273-E302 HydrophobicContact CB-CB 4.43Å; N273-E302 HydrophobicContact CB-CG 3.85Å; N273-E302 WeakPolarHBondContact ND2-CG 3.26Å
274	M	98.5	Very high	98	Very high	57 Å²	57	27.9 Å²	27.9	28%	0.281	20%	0.202	S	C	.	.			trans	-127.6	143.1	-170.3	-69.2	-63.6	-75.6	0	0	111.8	F220 S222 E272	F220-M274 HydrophobicContact CD1-SD 3.72Å; F220-M274 HydrophobicContact CE1-SD 4.14Å; S222-M274 WeakPolarHBondContact OG-CA 3.43Å; E272-M274 HydrophobicContact CB-CG 4.1Å
275	P	97.9	Very high	98	Very high	57 Å²	57	31 Å²	31	37%	0.37	22%	0.221	S	C	.	.			trans	-69.1	150.3	164.6	32.1	-37.3	0	0	0	109.7	S222 I225 L227	S222-P275 WeakPolarHBondContact OG-CD 3.46Å; I225-P275 HydrophobicContact CD1-CB 4.48Å; L227-P275 HydrophobicContact CD1-CG 4.28Å
276	G	94	Very high	97.9	Very high	37 Å²	37	31.6 Å²	31.6	38%	0.381	22%	0.224	S	C	.	.	S	Bend	trans	171.6	169.4	176.7	0	0	0	0	0	111.2	G278 A279	G276-G278 PolarHBondContact O-N 3.1Å; G276-G278 VanDerWaalsContact O-N 3.1Å; G276-A279 VanDerWaalsContact O-CB 3.32Å; G276-A279 WeakPolarHBondContact O-CB 3.33Å; G276-A279 PolarHBondContact O-N 3.12Å
277	G	96.5	Very high	97.9	Very high	99 Å²	99	37.7 Å²	37.7	100%	1.021	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.5	179.2	0	0	0	0	0	114.3
278	G	95.8	Very high	97.9	Very high	43 Å²	43	37.9 Å²	37.9	44%	0.443	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-4.4	174.9	0	0	0	0	0	115.2	K188 G276	K188-G278 WeakPolarHBondContact CD-O 3.5Å; K188-G278 VanDerWaalsContact CE-O 3.25Å; K188-G278 WeakPolarHBondContact CE-O 3.49Å; K188-G278 WeakPolarHBondContact CG-O 3.31Å; G276-G278 PolarHBondContact O-N 3.1Å; G276-G278 VanDerWaalsContact O-N 3.1Å
279	A	98.2	Very high	97.9	Very high	9 Å²	9	39.8 Å²	39.8	7%	0.074	26%	0.262	C	S	.	.	S	Bend	trans	-63.7	153.5	-173.1	0	0	0	0	0	112.7	I225 G276	I225-A279 HydrophobicContact CD1-CB 4.15Å; I225-A279 HydrophobicContact CG1-CB 4.08Å; G276-A279 VanDerWaalsContact O-CB 3.32Å; G276-A279 WeakPolarHBondContact O-CB 3.33Å; G276-A279 PolarHBondContact O-N 3.12Å
280	V	97.9	Very high	97.8	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.042	28%	0.28	C	S	.	.			trans	-63.1	142.8	168.3	60.3	0	0	0	0	109.5	A185 K188 I225 D284 V296 T299	A185-V280 WeakPolarHBondContact O-CB 3.29Å; A185-V280 WeakPolarHBondContact O-CG1 3.16Å; K188-V280 VanDerWaalsContact CE-N 3.29Å; I225-V280 VanDerWaalsContact CG1-O 3.32Å; I225-V280 WeakPolarHBondContact CG1-O 3.07Å; V280-D284 HydrophobicContact CG2-CB 3.89Å; V280-V296 HydrophobicContact CG1-CG1 4.45Å; V280-V296 HydrophobicContact CG2-CB 4.01Å; V280-V296 HydrophobicContact CG2-CG1 3.85Å; V280-V296 HydrophobicContact CG2-CG2 4.05Å; V280-T299 HydrophobicContact CG1-CG2 3.85Å; V280-T299 WeakPolarHBondContact O-CG2 3.25Å
281	K	98.4	Very high	97.8	Very high	108 Å²	108	45.4 Å²	45.4	47%	0.47	30%	0.303	S	S	.	.			trans	-110.5	147.2	-177.9	-57.3	174.5	-51.2	-50.2	0	109.9	G283 D284	K281-G283 PolarHBondContact O-N 3.24Å; K281-D284 WeakPolarHBondContact CE-OD1 3.39Å; K281-D284 PolarHBondContact N-OD2 3.19Å; K281-D284 IonicContact NZ-OD1 2.7Å; K281-D284 PolarHBondContact NZ-OD1 3.04Å; K281-D284 IonicContact NZ-OD2 3.53Å; K281-D284 PolarHBondContact NZ-OD2 3.08Å; K281-D284 VanDerWaalsContact O-CB 3.28Å; K281-D284 WeakPolarHBondContact O-CB 3.45Å; K281-D284 PolarHBondContact O-N 3.11Å
282	P	97.6	Very high	97.8	Very high	61 Å²	61	48 Å²	48	40%	0.396	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	129.2	166.7	-29.6	37.6	0	0	0	111.7	I225 V296 T299	I225-P282 HydrophobicContact CG2-CG 4.24Å; P282-V296 CarbonylContact C-O 3.27Å; P282-V296 VanDerWaalsContact CA-O 3.27Å; P282-V296 WeakPolarHBondContact CA-O 3.42Å; P282-T299 HydrophobicContact CG-CG2 4.34Å
283	G	96.4	Very high	97.8	Very high	39 Å²	39	47.7 Å²	47.7	40%	0.402	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	-9.8	-175.9	0	0	0	0	0	115.5	K281 V296	K281-G283 PolarHBondContact O-N 3.24Å; G283-V296 PolarHBondContact N-O 3.15Å
284	D	98.2	Very high	97.8	Very high	37 Å²	37	47.5 Å²	47.5	20%	0.198	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	139.3	173.1	-78.2	-13.4	0	0	0	109.8	V280 K281 V296	V280-D284 HydrophobicContact CG2-CB 3.89Å; K281-D284 WeakPolarHBondContact CE-OD1 3.39Å; K281-D284 PolarHBondContact N-OD2 3.19Å; K281-D284 IonicContact NZ-OD1 2.7Å; K281-D284 PolarHBondContact NZ-OD1 3.04Å; K281-D284 IonicContact NZ-OD2 3.53Å; K281-D284 PolarHBondContact NZ-OD2 3.08Å; K281-D284 VanDerWaalsContact O-CB 3.28Å; K281-D284 WeakPolarHBondContact O-CB 3.45Å; K281-D284 PolarHBondContact O-N 3.11Å; D284-V296 PolarHBondContact O-N 2.92Å
285	V	98.4	Very high	97.7	Very high	67 Å²	67	47 Å²	47	41%	0.406	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.7	172.2	-178.9	0	0	0	0	109.3	I294 Q295 V375	V285-I294 WeakPolarHBondContact CA-O 3.38Å; V285-Q295 HydrophobicContact CG2-CB 4.4Å; V285-V375 HydrophobicContact CG1-CG1 3.94Å; V285-V375 HydrophobicContact CG2-CG1 3.91Å
286	V	98.3	Very high	97.7	Very high	18 Å²	18	44.4 Å²	44.4	11%	0.109	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155.6	179.8	-54.5	0	0	0	0	110.4	A185 S293 I294 V296 M305	A185-V286 HydrophobicContact CB-CB 4.3Å; A185-V286 HydrophobicContact CB-CG1 3.67Å; A185-V286 HydrophobicContact CB-CG2 4.47Å; V286-S293 CarbonylContact O-C 3.57Å; V286-S293 WeakPolarHBondContact O-CA 3.28Å; V286-I294 HydrophobicContact CG2-CB 4.12Å; V286-I294 PolarHBondContact N-O 3.23Å; V286-I294 PolarHBondContact O-N 2.92Å; V286-V296 HydrophobicContact CG1-CG2 4.32Å; V286-V296 HydrophobicContact CG2-CG2 4.05Å; V286-M305 HydrophobicContact CG2-CE 3.34Å
287	F	98.7	Very high	97.8	Very high	128 Å²	128	46.6 Å²	46.6	56%	0.561	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.6	177.4	-67.5	-87.8	0	0	0	110	G181 A182 G291 K292	G181-F287 CarbonylContact C-O 3.49Å; G181-F287 WeakPolarHBondContact CA-O 3.18Å; G181-F287 PolarHBondContact N-O 3.38Å; A182-F287 PolarHBondContact N-O 3.43Å; F287-G291 WeakPolarHBondContact CD1-O 3.43Å; F287-K292 WeakPolarHBondContact CA-O 3.13Å
288	A	98.7	Very high	97.8	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.033	26%	0.259	C	S	.	.			trans	-77.3	170.9	171.4	0	0	0	0	0	111.5	A182 N290 G291 K292 I294 D309 F401	A182-A288 HydrophobicContact CB-CB 4.44Å; A288-N290 PolarHBondContact O-N 2.91Å; A288-N290 VanDerWaalsContact O-N 3.16Å; A288-G291 WeakPolarHBondContact O-CA 3.26Å; A288-G291 PolarHBondContact O-N 3.01Å; A288-K292 PolarHBondContact N-O 2.97Å; A288-I294 HydrophobicContact CB-CD1 4.01Å; A288-D309 WeakPolarHBondContact CA-OD1 3.14Å; A288-F401 HydrophobicContact CB-CD1 4.05Å; A288-F401 HydrophobicContact CB-CE1 3.49Å; A288-F401 VanDerWaalsContact CB-CE1 3.49Å; A288-F401 HydrophobicContact CB-CZ 4.4Å
289	M	98.4	Very high	97.9	Very high	41 Å²	41	42.5 Å²	42.5	20%	0.202	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.2	-179.7	176.6	174.1	173.3	0	0	113.6	R179 M180 G291 D309 C312 Y313	R179-M289 WeakPolarHBondContact O-CA 3.37Å; M180-M289 HydrophobicContact CE-SD 4.03Å; M180-M289 HydrophobicContact CG-SD 4.38Å; M289-G291 VanDerWaalsContact C-N 3.28Å; M289-G291 PolarHBondContact O-N 3.36Å; M289-D309 HydrophobicContact CB-CB 4.49Å; M289-D309 WeakPolarHBondContact CB-OD1 3.31Å; M289-D309 PolarHBondContact N-OD1 3.21Å; M289-C312 HydrophobicContact CB-CB 3.91Å; M289-C312 HydrophobicContact CG-CB 4.08Å; M289-C312 HydrophobicContact SD-CB 4.09Å; M289-Y313 HydrophobicContact CE-CD2 3.98Å
290	N	97.5	Very high	97.8	Very high	70 Å²	70	44.6 Å²	44.6	37%	0.374	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2	176.1	68.7	-2.9	0	0	0	114.2	A288 K292 F401	A288-N290 PolarHBondContact O-N 2.91Å; A288-N290 VanDerWaalsContact O-N 3.16Å; N290-K292 WeakPolarHBondContact OD1-CB 3.46Å; N290-K292 PolarHBondContact OD1-N 3.39Å; N290-F401 WeakPolarHBondContact ND2-CD1 3.23Å
291	G	98	Very high	97.7	Very high	47 Å²	47	44.7 Å²	44.7	49%	0.485	25%	0.25	S	S	.	.	S	Bend	trans	85	-3.5	179.8	0	0	0	0	0	115.3	F287 A288 M289	F287-G291 WeakPolarHBondContact CD1-O 3.43Å; A288-G291 WeakPolarHBondContact O-CA 3.26Å; A288-G291 PolarHBondContact O-N 3.01Å; M289-G291 VanDerWaalsContact C-N 3.28Å; M289-G291 PolarHBondContact O-N 3.36Å
292	K	98.4	Very high	97.7	Very high	55 Å²	55	39.9 Å²	39.9	24%	0.239	23%	0.229	C	C	.	.			trans	-65.9	137.6	173.3	-71.5	-174.6	175.4	175.6	0	110.6	F287 A288 N290 D376 L377 E400 F401	F287-K292 WeakPolarHBondContact CA-O 3.13Å; A288-K292 PolarHBondContact N-O 2.97Å; N290-K292 WeakPolarHBondContact OD1-CB 3.46Å; N290-K292 PolarHBondContact OD1-N 3.39Å; K292-D376 WeakPolarHBondContact CA-OD2 3.15Å; K292-D376 HydrophobicContact CB-CB 4.42Å; K292-L377 HydrophobicContact CD-CD1 4.17Å; K292-E400 PolarHBondContact NZ-O 3.16Å; K292-E400 IonicContact NZ-OE2 3.46Å; K292-E400 PolarHBondContact NZ-OE2 2.88Å; K292-F401 HydrophobicContact CB-CE1 4.09Å; K292-F401 HydrophobicContact CD-CE1 4.33Å
293	S	98.5	Very high	97.7	Very high	14 Å²	14	37 Å²	37	10%	0.098	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.7	175	56.9	0	0	0	0	111.2	V286 D376 L377	V286-S293 CarbonylContact O-C 3.57Å; V286-S293 WeakPolarHBondContact O-CA 3.28Å; S293-D376 PolarHBondContact N-OD2 2.87Å; S293-D376 WeakPolarHBondContact O-CB 3.35Å; S293-D376 PolarHBondContact OG-N 3.32Å; S293-D376 PolarHBondContact OG-OD2 3.19Å; S293-L377 PolarHBondContact O-N 3.03Å; S293-L377 VanDerWaalsContact O-N 3.11Å
294	I	98.5	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.2	-179.9	-55.9	156.5	0	0	0	108.8	A182 V285 V286 A288 M305 L377 N379 F397 F401	A182-I294 HydrophobicContact CB-CD1 4.09Å; V285-I294 WeakPolarHBondContact CA-O 3.38Å; V286-I294 HydrophobicContact CG2-CB 4.12Å; V286-I294 PolarHBondContact N-O 3.23Å; V286-I294 PolarHBondContact O-N 2.92Å; A288-I294 HydrophobicContact CB-CD1 4.01Å; I294-M305 HydrophobicContact CB-CE 4.05Å; I294-M305 HydrophobicContact CB-SD 4.47Å; I294-M305 HydrophobicContact CD1-CE 3.87Å; I294-M305 HydrophobicContact CD1-SD 4.14Å; I294-M305 HydrophobicContact CG2-CE 3.71Å; I294-M305 HydrophobicContact CG2-SD 3.61Å; I294-L377 CarbonylContact C-O 3.45Å; I294-L377 WeakPolarHBondContact CA-O 3.18Å; I294-N379 HydrophobicContact CG2-CB 3.91Å; I294-F397 HydrophobicContact CD1-CZ 3.88Å; I294-F397 HydrophobicContact CG1-CE2 4.29Å; I294-F397 HydrophobicContact CG1-CZ 4.12Å; I294-F397 HydrophobicContact CG2-CE2 3.84Å; I294-F397 HydrophobicContact CG2-CZ 4Å; I294-F401 HydrophobicContact CD1-CE1 4.19Å; I294-F401 HydrophobicContact CD1-CZ 3.7Å; I294-F401 HydrophobicContact CG1-CZ 3.94Å
295	Q	98.2	Very high	97.8	Very high	45 Å²	45	34.4 Å²	34.4	21%	0.21	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.6	164.3	175.2	174.1	-28.4	0	0	109.5	V285 E297 L372 V375 L377 N379	V285-Q295 HydrophobicContact CG2-CB 4.4Å; Q295-E297 PolarHBondContact NE2-OE2 3.47Å; Q295-E297 PolarHBondContact O-N 3.44Å; Q295-L372 HydrophobicContact CB-CD1 4.1Å; Q295-V375 HydrophobicContact CB-CG2 3.8Å; Q295-L377 PolarHBondContact N-O 3.34Å; Q295-N379 PolarHBondContact O-N 2.97Å; Q295-N379 PolarHBondContact O-OD1 3.07Å
296	V	97.7	Very high	97.8	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	90.4	176.5	-175.9	0	0	0	0	108.2	V280 P282 G283 D284 V286 T299 M305	V280-V296 HydrophobicContact CG1-CG1 4.45Å; V280-V296 HydrophobicContact CG2-CB 4.01Å; V280-V296 HydrophobicContact CG2-CG1 3.85Å; V280-V296 HydrophobicContact CG2-CG2 4.05Å; P282-V296 CarbonylContact C-O 3.27Å; P282-V296 VanDerWaalsContact CA-O 3.27Å; P282-V296 WeakPolarHBondContact CA-O 3.42Å; G283-V296 PolarHBondContact N-O 3.15Å; D284-V296 PolarHBondContact O-N 2.92Å; V286-V296 HydrophobicContact CG1-CG2 4.32Å; V286-V296 HydrophobicContact CG2-CG2 4.05Å; V296-T299 HydrophobicContact CG1-CG2 4.09Å; V296-M305 HydrophobicContact CG2-CE 3.65Å
297	E	96.1	Very high	97.9	Very high	82 Å²	82	30.3 Å²	30.3	38%	0.383	16%	0.162	S	C	.	.	S	Bend	trans	-81	-36.6	179.3	-172	60.7	-156.6	0	0	111.8	Q295 N379	Q295-E297 PolarHBondContact NE2-OE2 3.47Å; Q295-E297 PolarHBondContact O-N 3.44Å; E297-N379 PolarHBondContact N-OD1 3.18Å
298	N	95.8	Very high	97.9	Very high	55 Å²	55	24.2 Å²	24.2	29%	0.294	14%	0.135	S	C	.	.			trans	-129.8	120.4	177.9	-172.9	-21.7	0	0	0	109.7	S226 D300 A301 N379 T380	S226-N298 WeakPolarHBondContact CB-OD1 3.34Å; S226-N298 PolarHBondContact OG-OD1 2.61Å; N298-D300 PolarHBondContact O-N 3.28Å; N298-D300 WeakPolarHBondContact OD1-CA 3.39Å; N298-D300 WeakPolarHBondContact OD1-CB 3.29Å; N298-D300 PolarHBondContact OD1-N 3.13Å; N298-A301 PolarHBondContact O-N 3.46Å; N298-A301 VanDerWaalsContact O-N 3.15Å; N298-N379 PolarHBondContact N-OD1 3.13Å; N298-N379 PolarHBondContact O-ND2 3.28Å; N298-T380 HydrophobicContact CB-CG2 3.57Å
299	T	97.8	Very high	97.9	Very high	2 Å²	2	24 Å²	24	1%	0.012	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.4	-177.5	66	0	0	0	0	113	G223 I225 S226 N273 V280 P282 V296	G223-T299 CarbonylContact O-C 3.05Å; G223-T299 WeakPolarHBondContact O-CB 3.38Å; G223-T299 PolarHBondContact O-OG1 2.94Å; I225-T299 HydrophobicContact CB-CG2 4.35Å; I225-T299 PolarHBondContact N-OG1 2.88Å; S226-T299 WeakPolarHBondContact CB-OG1 3.49Å; S226-T299 PolarHBondContact N-OG1 3.41Å; S226-T299 PolarHBondContact OG-N 2.74Å; S226-T299 VanDerWaalsContact OG-N 3.11Å; S226-T299 PolarHBondContact OG-OG1 3.41Å; N273-T299 PolarHBondContact ND2-O 2.72Å; V280-T299 HydrophobicContact CG1-CG2 3.85Å; V280-T299 WeakPolarHBondContact O-CG2 3.25Å; P282-T299 HydrophobicContact CG-CG2 4.34Å; V296-T299 HydrophobicContact CG1-CG2 4.09Å
300	D	96.5	Very high	97.9	Very high	52 Å²	52	22.1 Å²	22.1	28%	0.278	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	3.6	170.9	-158.4	47.2	0	0	0	112.9	G223 K228 N298 E302	G223-D300 WeakPolarHBondContact CA-OD1 3.31Å; G223-D300 PolarHBondContact O-N 2.84Å; K228-D300 WeakPolarHBondContact CE-OD1 3.45Å; K228-D300 WeakPolarHBondContact CG-OD1 3.4Å; K228-D300 IonicContact NZ-OD1 2.71Å; K228-D300 PolarHBondContact NZ-OD1 3.12Å; K228-D300 IonicContact NZ-OD2 2.73Å; K228-D300 PolarHBondContact NZ-OD2 3.4Å; N298-D300 PolarHBondContact O-N 3.28Å; N298-D300 WeakPolarHBondContact OD1-CA 3.39Å; N298-D300 WeakPolarHBondContact OD1-CB 3.29Å; N298-D300 PolarHBondContact OD1-N 3.13Å; D300-E302 WeakPolarHBondContact CA-OE2 3.42Å
301	A	96.4	Very high	97.9	Very high	10 Å²	10	18.8 Å²	18.8	8%	0.083	11%	0.106	C	C	.	.			trans	-106	45.8	168.4	0	0	0	0	0	109.8	N298 R304 M305 N379 T380	N298-A301 PolarHBondContact O-N 3.46Å; N298-A301 VanDerWaalsContact O-N 3.15Å; A301-R304 WeakPolarHBondContact O-CG 3.45Å; A301-M305 WeakPolarHBondContact O-CG 3.34Å; A301-N379 PolarHBondContact O-ND2 2.95Å; A301-T380 HydrophobicContact CB-CG2 3.9Å
302	E	98	Very high	98	Very high	6 Å²	6	17.2 Å²	17.2	3%	0.028	9%	0.088	C	C	.	.			trans	-78.4	-36.1	-176.6	80.2	-54.4	128.1	0	0	113.1	V186 K216 V218 N273 D300 R304 M305 I306	V186-E302 HydrophobicContact CB-CB 4.43Å; V186-E302 HydrophobicContact CG1-CB 3.73Å; V186-E302 HydrophobicContact CG1-CG 4.07Å; V186-E302 HydrophobicContact CG2-CB 3.78Å; K216-E302 WeakPolarHBondContact CE-OE1 3.48Å; K216-E302 IonicContact NZ-OE1 3.8Å; K216-E302 PolarHBondContact NZ-OE1 3.27Å; V218-E302 HydrophobicContact CG2-CG 4.05Å; N273-E302 HydrophobicContact CB-CB 4.43Å; N273-E302 HydrophobicContact CB-CG 3.85Å; N273-E302 WeakPolarHBondContact ND2-CG 3.26Å; D300-E302 WeakPolarHBondContact CA-OE2 3.42Å; E302-R304 PolarHBondContact O-N 3.07Å; E302-M305 WeakPolarHBondContact O-CA 3.33Å; E302-M305 WeakPolarHBondContact O-CB 3.17Å; E302-M305 PolarHBondContact O-N 2.88Å; E302-I306 PolarHBondContact O-N 3.42Å; E302-I306 VanDerWaalsContact O-N 3.15Å
303	G	98	Very high	98	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-59.9	-37.6	-173.6	0	0	0	0	0	112.5	K216 M305 I306 L307	K216-G303 VanDerWaalsContact CE-CA 3.43Å; G303-M305 VanDerWaalsContact C-N 3.31Å; G303-M305 PolarHBondContact O-N 3.07Å; G303-I306 WeakPolarHBondContact O-CG1 3.34Å; G303-L307 WeakPolarHBondContact O-CB 3.36Å; G303-L307 WeakPolarHBondContact O-CD1 3.39Å; G303-L307 WeakPolarHBondContact O-CG 3.48Å; G303-L307 PolarHBondContact O-N 2.89Å
304	R	97.7	Very high	98	Very high	18 Å²	18	14.6 Å²	14.6	7%	0.068	7%	0.074	C	C	.	.	H	α-helix	trans	-71.1	-28.1	176.2	71.2	-172.3	74.6	-170.7	-3.7	112.4	A301 E302 A308 L328 N379 F397 L398	A301-R304 WeakPolarHBondContact O-CG 3.45Å; E302-R304 PolarHBondContact O-N 3.07Å; R304-A308 WeakPolarHBondContact O-CB 3.43Å; R304-A308 PolarHBondContact O-N 3.25Å; R304-L328 HydrophobicContact CB-CD1 4.2Å; R304-N379 WeakPolarHBondContact CD-O 3.43Å; R304-N379 PolarHBondContact NE-O 3.28Å; R304-N379 PolarHBondContact NH1-O 3.48Å; R304-F397 HydrophobicContact CB-CD1 3.66Å; R304-F397 HydrophobicContact CB-CE1 3.84Å; R304-F397 HydrophobicContact CG-CD1 3.68Å; R304-F397 HydrophobicContact CG-CE1 3.62Å; R304-F397 HydrophobicContact CG-CG 4.31Å; R304-F397 HydrophobicContact CG-CZ 4.2Å; R304-F397 WeakPolarHBondContact O-CE1 3.45Å; R304-L398 HydrophobicContact CB-CD2 4.03Å; R304-L398 HydrophobicContact CB-CG 4.49Å
305	M	98.6	Very high	97.9	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.015	8%	0.082	C	C	.	.	H	α-helix	trans	-68.5	-49.5	178.1	-57.2	-67.8	-67.5	0	0	110.7	A182 V186 V286 I294 V296 A301 E302 G303 L307 A308 N379 F397	A182-M305 HydrophobicContact CB-CB 4.2Å; A182-M305 HydrophobicContact CB-CE 3.95Å; A182-M305 WeakPolarHBondContact CB-O 3.27Å; V186-M305 HydrophobicContact CG2-CB 3.81Å; V186-M305 HydrophobicContact CG2-CG 4.37Å; V286-M305 HydrophobicContact CG2-CE 3.34Å; I294-M305 HydrophobicContact CB-CE 4.05Å; I294-M305 HydrophobicContact CB-SD 4.47Å; I294-M305 HydrophobicContact CD1-CE 3.87Å; I294-M305 HydrophobicContact CD1-SD 4.14Å; I294-M305 HydrophobicContact CG2-CE 3.71Å; I294-M305 HydrophobicContact CG2-SD 3.61Å; V296-M305 HydrophobicContact CG2-CE 3.65Å; A301-M305 WeakPolarHBondContact O-CG 3.34Å; E302-M305 WeakPolarHBondContact O-CA 3.33Å; E302-M305 WeakPolarHBondContact O-CB 3.17Å; E302-M305 PolarHBondContact O-N 2.88Å; G303-M305 VanDerWaalsContact C-N 3.31Å; G303-M305 PolarHBondContact O-N 3.07Å; M305-L307 VanDerWaalsContact C-N 3.26Å; M305-L307 PolarHBondContact O-N 2.95Å; M305-A308 WeakPolarHBondContact O-CB 3.47Å; M305-A308 PolarHBondContact O-N 3.43Å; M305-N379 HydrophobicContact SD-CB 3.6Å; M305-F397 HydrophobicContact SD-CZ 3.91Å
306	I	98.8	Very high	97.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67	-33.1	179	74.6	174.1	0	0	0	111.4	L183 V186 K216 V218 P269 V271 E302 G303 A310	L183-I306 HydrophobicContact CG-CB 4.38Å; L183-I306 HydrophobicContact CG-CG2 4.41Å; V186-I306 HydrophobicContact CB-CG2 3.92Å; V186-I306 HydrophobicContact CG1-CG2 4.09Å; V186-I306 HydrophobicContact CG2-CG2 3.88Å; K216-I306 HydrophobicContact CG-CD1 4.09Å; V218-I306 HydrophobicContact CG2-CD1 3.63Å; P269-I306 HydrophobicContact CB-CB 4.08Å; P269-I306 HydrophobicContact CB-CD1 4.29Å; P269-I306 HydrophobicContact CB-CG1 4.34Å; P269-I306 HydrophobicContact CG-CB 4.05Å; P269-I306 HydrophobicContact CG-CD1 3.92Å; P269-I306 HydrophobicContact CG-CG1 3.85Å; V271-I306 HydrophobicContact CG1-CG2 4.48Å; V271-I306 HydrophobicContact CG2-CD1 4.21Å; V271-I306 HydrophobicContact CG2-CG2 4.02Å; E302-I306 PolarHBondContact O-N 3.42Å; E302-I306 VanDerWaalsContact O-N 3.15Å; G303-I306 WeakPolarHBondContact O-CG1 3.34Å; I306-A310 PolarHBondContact O-N 3.46Å
307	L	98.8	Very high	97.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-71.3	-32.9	175.5	-71.9	171.4	0	0	0	112.5	V214 K216 G303 M305 D309 A310 L311 A326 L328 L398	V214-L307 HydrophobicContact CG1-CD2 3.72Å; K216-L307 HydrophobicContact CB-CD1 4.32Å; K216-L307 HydrophobicContact CB-CD2 4.39Å; K216-L307 HydrophobicContact CB-CG 4.44Å; G303-L307 WeakPolarHBondContact O-CB 3.36Å; G303-L307 WeakPolarHBondContact O-CD1 3.39Å; G303-L307 WeakPolarHBondContact O-CG 3.48Å; G303-L307 PolarHBondContact O-N 2.89Å; M305-L307 VanDerWaalsContact C-N 3.26Å; M305-L307 PolarHBondContact O-N 2.95Å; L307-D309 VanDerWaalsContact C-N 3.33Å; L307-D309 PolarHBondContact O-N 3.01Å; L307-A310 PolarHBondContact O-N 3.28Å; L307-L311 VanDerWaalsContact O-CB 3.3Å; L307-L311 WeakPolarHBondContact O-CB 3.47Å; L307-L311 VanDerWaalsContact O-CG 3.23Å; L307-L311 WeakPolarHBondContact O-CG 3.41Å; L307-L311 PolarHBondContact O-N 3.28Å; L307-A326 HydrophobicContact CD1-CB 3.77Å; L307-L328 HydrophobicContact CD1-CD1 4.22Å; L307-L398 HydrophobicContact CB-CD2 3.51Å; L307-L398 HydrophobicContact CD1-CD1 4.21Å; L307-L398 HydrophobicContact CD1-CD2 4.03Å; L307-L398 HydrophobicContact CG-CD2 4.44Å
308	A	98.7	Very high	98	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55	-49.1	176.7	0	0	0	0	0	111.6	R304 M305 C312 F397 F401	R304-A308 WeakPolarHBondContact O-CB 3.43Å; R304-A308 PolarHBondContact O-N 3.25Å; M305-A308 WeakPolarHBondContact O-CB 3.47Å; M305-A308 PolarHBondContact O-N 3.43Å; A308-C312 PolarHBondContact O-N 3.2Å; A308-C312 PolarHBondContact O-SG 2.82Å; A308-F397 HydrophobicContact CB-CE1 4.17Å; A308-F401 HydrophobicContact CB-CB 4.17Å; A308-F401 HydrophobicContact CB-CD1 3.69Å; A308-F401 HydrophobicContact CB-CD2 3.51Å; A308-F401 HydrophobicContact CB-CE1 3.9Å; A308-F401 HydrophobicContact CB-CE2 3.74Å; A308-F401 HydrophobicContact CB-CG 3.5Å; A308-F401 VanDerWaalsContact CB-CG 3.5Å; A308-F401 HydrophobicContact CB-CZ 3.92Å; A308-F401 WeakPolarHBondContact O-CB 3.18Å
309	D	98.8	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.4	-40	177	-73.9	-28.7	0	0	0	112.3	M180 G181 A182 L183 A288 M289 L307 C312 Y313	M180-D309 VanDerWaalsContact CA-CG 3.45Å; M180-D309 WeakPolarHBondContact CA-OD2 3.06Å; M180-D309 HydrophobicContact CB-CB 3.84Å; M180-D309 WeakPolarHBondContact CB-OD2 3.38Å; M180-D309 HydrophobicContact CG-CB 3.88Å; M180-D309 HydrophobicContact SD-CB 4.39Å; G181-D309 PolarHBondContact N-OD2 2.92Å; A182-D309 WeakPolarHBondContact CA-OD2 3.47Å; A182-D309 WeakPolarHBondContact CB-OD2 3.44Å; A182-D309 PolarHBondContact N-OD2 2.95Å; L183-D309 HydrophobicContact CB-CB 4.38Å; L183-D309 WeakPolarHBondContact CB-OD2 3.5Å; L183-D309 PolarHBondContact N-OD2 3.19Å; A288-D309 WeakPolarHBondContact CA-OD1 3.14Å; M289-D309 HydrophobicContact CB-CB 4.49Å; M289-D309 WeakPolarHBondContact CB-OD1 3.31Å; M289-D309 PolarHBondContact N-OD1 3.21Å; L307-D309 VanDerWaalsContact C-N 3.33Å; L307-D309 PolarHBondContact O-N 3.01Å; D309-C312 PolarHBondContact O-N 3.15Å; D309-Y313 PolarHBondContact O-N 3.16Å
310	A	98.9	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.5	-37.2	178.5	0	0	0	0	0	112.9	F196 V214 P269 I306 L307 Y313 A314	F196-A310 HydrophobicContact CE2-CB 3.87Å; F196-A310 HydrophobicContact CZ-CB 4.19Å; V214-A310 HydrophobicContact CG1-CB 3.56Å; P269-A310 HydrophobicContact CG-CB 3.95Å; I306-A310 PolarHBondContact O-N 3.46Å; L307-A310 PolarHBondContact O-N 3.28Å; A310-Y313 PolarHBondContact O-N 3.29Å; A310-A314 WeakPolarHBondContact O-CB 3.3Å; A310-A314 PolarHBondContact O-N 2.89Å
311	L	98.6	Very high	97.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-68.6	-41	174.8	-72.9	170	0	0	0	111.4	V214 L307 Y313 A314 D315 V322 D324 L398 F401	V214-L311 HydrophobicContact CG2-CD2 4.24Å; L307-L311 VanDerWaalsContact O-CB 3.3Å; L307-L311 WeakPolarHBondContact O-CB 3.47Å; L307-L311 VanDerWaalsContact O-CG 3.23Å; L307-L311 WeakPolarHBondContact O-CG 3.41Å; L307-L311 PolarHBondContact O-N 3.28Å; L311-Y313 VanDerWaalsContact C-N 3.28Å; L311-Y313 PolarHBondContact O-N 3.1Å; L311-A314 WeakPolarHBondContact O-CB 2.78Å; L311-A314 PolarHBondContact O-N 3.24Å; L311-A314 VanDerWaalsContact O-N 3.16Å; L311-D315 PolarHBondContact O-N 3.34Å; L311-D315 VanDerWaalsContact O-N 3.16Å; L311-V322 HydrophobicContact CD2-CG1 3.73Å; L311-D324 HydrophobicContact CD2-CB 4.22Å; L311-L398 HydrophobicContact CD1-CB 3.93Å; L311-L398 HydrophobicContact CD1-CD2 3.87Å; L311-L398 HydrophobicContact CD1-CG 4.43Å; L311-F401 CarbonylContact C-O 3.35Å; L311-F401 VanDerWaalsContact C-O 3.28Å; L311-F401 HydrophobicContact CB-CB 4.26Å; L311-F401 WeakPolarHBondContact CB-O 3.46Å
312	C	98.5	Very high	97.9	Very high	15 Å²	15	16.7 Å²	16.7	10%	0.101	11%	0.108	C	C	.	.	H	α-helix	trans	-60	-41.2	172.8	-70.5	0	0	0	0	111.4	M289 A308 D309 F401	M289-C312 HydrophobicContact CB-CB 3.91Å; M289-C312 HydrophobicContact CG-CB 4.08Å; M289-C312 HydrophobicContact SD-CB 4.09Å; A308-C312 PolarHBondContact O-N 3.2Å; A308-C312 PolarHBondContact O-SG 2.82Å; D309-C312 PolarHBondContact O-N 3.15Å; C312-F401 PolarHBondContact N-O 2.9Å
313	Y	98.7	Very high	97.8	Very high	13 Å²	13	16.4 Å²	16.4	5%	0.051	11%	0.107	C	C	.	.	H	α-helix	trans	-69.3	-36.8	175.9	-173.1	-125.5	0	0	0	112.2	W174 M180 F196 E198 L267 M289 D309 A310 L311 D315 S316 F317	W174-Y313 HydrophobicContact CH2-CD1 4.18Å; W174-Y313 HydrophobicContact CH2-CD2 4.48Å; W174-Y313 AromaticContact CH2-CE1 3.7Å; W174-Y313 HydrophobicContact CH2-CE1 3.7Å; W174-Y313 HydrophobicContact CH2-CE2 4.05Å; W174-Y313 AromaticContact CH2-CZ 3.63Å; W174-Y313 HydrophobicContact CZ2-CE1 4.16Å; W174-Y313 HydrophobicContact CZ2-CE2 4.06Å; W174-Y313 AromaticContact CZ2-CZ 3.65Å; W174-Y313 WeakPolarHBondContact CZ2-OH 3.46Å; M180-Y313 HydrophobicContact CE-CD1 4.34Å; M180-Y313 HydrophobicContact CE-CD2 4.47Å; M180-Y313 HydrophobicContact CE-CG 3.98Å; F196-Y313 AromaticContact CE1-CD1 3.77Å; F196-Y313 HydrophobicContact CE1-CD1 3.77Å; F196-Y313 AromaticContact CE1-CE1 3.98Å; F196-Y313 HydrophobicContact CE1-CE1 3.98Å; F196-Y313 AromaticContact CZ-CD1 3.69Å; F196-Y313 HydrophobicContact CZ-CD1 3.69Å; F196-Y313 HydrophobicContact CZ-CE1 4.37Å; E198-Y313 PolarHBondContact OE2-OH 3.17Å; L267-Y313 HydrophobicContact CD1-CD1 4.02Å; L267-Y313 HydrophobicContact CD2-CD1 3.92Å; L267-Y313 HydrophobicContact CD2-CE1 3.88Å; M289-Y313 HydrophobicContact CE-CD2 3.98Å; D309-Y313 PolarHBondContact O-N 3.16Å; A310-Y313 PolarHBondContact O-N 3.29Å; L311-Y313 VanDerWaalsContact C-N 3.28Å; L311-Y313 PolarHBondContact O-N 3.1Å; Y313-D315 VanDerWaalsContact C-N 3.28Å; Y313-D315 PolarHBondContact O-N 2.98Å; Y313-S316 WeakPolarHBondContact O-CB 3.29Å; Y313-S316 PolarHBondContact O-N 2.97Å; Y313-S316 PolarHBondContact O-OG 2.97Å; Y313-F317 HydrophobicContact CD1-CE2 4.05Å; Y313-F317 AromaticContact CE1-CE2 3.73Å; Y313-F317 HydrophobicContact CE1-CE2 3.73Å; Y313-F317 AromaticContact CE1-CZ 3.93Å; Y313-F317 HydrophobicContact CE1-CZ 3.93Å; Y313-F317 HydrophobicContact CE2-CE2 4.33Å; Y313-F317 HydrophobicContact CG-CE2 4.49Å; Y313-F317 AromaticContact CZ-CE2 3.89Å; Y313-F317 AromaticContact CZ-CZ 3.83Å; Y313-F317 WeakPolarHBondContact O-CD2 3.17Å
314	A	98.6	Very high	97.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.3	-40	176.3	0	0	0	0	0	112.5	C212 V214 L267 A310 L311 S316 F317 P319 V322	C212-A314 HydrophobicContact CB-CB 3.95Å; V214-A314 HydrophobicContact CG2-CB 4.1Å; L267-A314 HydrophobicContact CD1-CB 3.71Å; A310-A314 WeakPolarHBondContact O-CB 3.3Å; A310-A314 PolarHBondContact O-N 2.89Å; L311-A314 WeakPolarHBondContact O-CB 2.78Å; L311-A314 PolarHBondContact O-N 3.24Å; L311-A314 VanDerWaalsContact O-N 3.16Å; A314-S316 PolarHBondContact O-N 3.28Å; A314-F317 PolarHBondContact O-N 2.84Å; A314-P319 WeakPolarHBondContact O-CD 3.37Å; A314-V322 HydrophobicContact CB-CG1 4.48Å
315	D	97.4	Very high	97.8	Very high	32 Å²	32	15.5 Å²	15.5	17%	0.171	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-28.1	177.3	-80	-3.4	0	0	0	113.1	L311 Y313 F317 G318 T402 N403	L311-D315 PolarHBondContact O-N 3.34Å; L311-D315 VanDerWaalsContact O-N 3.16Å; Y313-D315 VanDerWaalsContact C-N 3.28Å; Y313-D315 PolarHBondContact O-N 2.98Å; D315-F317 PolarHBondContact O-N 2.69Å; D315-F317 VanDerWaalsContact O-N 3.16Å; D315-G318 PolarHBondContact O-N 3.16Å; D315-T402 PolarHBondContact OD1-OG1 2.9Å; D315-T402 WeakPolarHBondContact OD2-CA 3.39Å; D315-N403 PolarHBondContact OD1-N 3.16Å; D315-N403 WeakPolarHBondContact OD2-CB 3.27Å; D315-N403 PolarHBondContact OD2-N 2.88Å; D315-N403 PolarHBondContact OD2-ND2 3.38Å
316	S	97.7	Very high	97.7	Very high	80 Å²	80	15.4 Å²	15.4	56%	0.559	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-16.1	-179.6	76.1	0	0	0	0	113.8	Y313 A314 G318	Y313-S316 WeakPolarHBondContact O-CB 3.29Å; Y313-S316 PolarHBondContact O-N 2.97Å; Y313-S316 PolarHBondContact O-OG 2.97Å; A314-S316 PolarHBondContact O-N 3.28Å; S316-G318 VanDerWaalsContact C-N 3.33Å
317	F	97.8	Very high	97.5	Very high	54 Å²	54	15.6 Å²	15.6	24%	0.237	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.4	174.6	-64.4	-83.3	0	0	0	113.5	H200 P210 V265 L267 Y313 A314 D315	H200-F317 AromaticContact CE1-CE1 3.85Å; P210-F317 HydrophobicContact CG-CB 4.31Å; P210-F317 WeakPolarHBondContact CG-O 3.46Å; V265-F317 HydrophobicContact CG1-CD1 4.34Å; V265-F317 HydrophobicContact CG1-CD2 4.27Å; V265-F317 HydrophobicContact CG1-CE1 4.09Å; V265-F317 HydrophobicContact CG1-CE2 4Å; V265-F317 HydrophobicContact CG1-CG 4.43Å; V265-F317 HydrophobicContact CG1-CZ 3.9Å; V265-F317 HydrophobicContact CG2-CD1 4.11Å; V265-F317 HydrophobicContact CG2-CE1 4.43Å; V265-F317 HydrophobicContact CG2-CG 4.42Å; L267-F317 HydrophobicContact CD1-CE2 4.25Å; L267-F317 HydrophobicContact CD2-CE2 4.19Å; Y313-F317 HydrophobicContact CD1-CE2 4.05Å; Y313-F317 AromaticContact CE1-CE2 3.73Å; Y313-F317 HydrophobicContact CE1-CE2 3.73Å; Y313-F317 AromaticContact CE1-CZ 3.93Å; Y313-F317 HydrophobicContact CE1-CZ 3.93Å; Y313-F317 HydrophobicContact CE2-CE2 4.33Å; Y313-F317 HydrophobicContact CG-CE2 4.49Å; Y313-F317 AromaticContact CZ-CE2 3.89Å; Y313-F317 AromaticContact CZ-CZ 3.83Å; Y313-F317 WeakPolarHBondContact O-CD2 3.17Å; A314-F317 PolarHBondContact O-N 2.84Å; D315-F317 PolarHBondContact O-N 2.69Å; D315-F317 VanDerWaalsContact O-N 3.16Å
318	G	97	Very high	97.2	Very high	51 Å²	51	16.6 Å²	16.6	53%	0.526	11%	0.109	S	C	.	.			trans	56	49.8	-174.9	0	0	0	0	0	113.9	D315 S316	D315-G318 PolarHBondContact O-N 3.16Å; S316-G318 VanDerWaalsContact C-N 3.33Å
319	P	97.1	Very high	96.5	Very high	19 Å²	19	17.2 Å²	17.2	12%	0.123	11%	0.113	C	C	.	.			trans	-70.4	145.2	-167.5	28.7	-35.4	0	0	0	113.7	P210 C212 A314 H321 V322 C404	P210-P319 CarbonylContact O-C 3.58Å; P210-P319 WeakPolarHBondContact O-CA 3.11Å; P210-P319 WeakPolarHBondContact O-CB 3.48Å; C212-P319 HydrophobicContact CB-CB 4.17Å; A314-P319 WeakPolarHBondContact O-CD 3.37Å; P319-H321 VanDerWaalsContact C-N 3.32Å; P319-V322 HydrophobicContact CB-CG2 4.07Å; P319-V322 HydrophobicContact CG-CG2 3.49Å; P319-V322 VanDerWaalsContact CG-CG2 3.49Å; P319-C404 HydrophobicContact CG-CB 4.46Å
320	A	95.2	Very high	95.3	Very high	31 Å²	31	21 Å²	21	26%	0.256	15%	0.153	S	C	.	.	S	Bend	trans	-67	-37.1	167.8	0	0	0	0	0	111.6	A209 P210 S406	A209-A320 HydrophobicContact CB-CB 4.14Å; A209-A320 WeakPolarHBondContact O-CB 3.4Å; P210-A320 PolarHBondContact O-N 3.37Å; A320-S406 WeakPolarHBondContact O-CB 3.41Å
321	H	95.7	Very high	93.4	Very high	27 Å²	27	26.1 Å²	26.1	13%	0.125	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	142	-177.8	-58.3	-60.3	0	0	0	110.3	I211 C212 P319 L342 S406	I211-H321 WeakPolarHBondContact CA-O 2.98Å; I211-H321 HydrophobicContact CG1-CB 4.25Å; I211-H321 HydrophobicContact CG2-CB 4.2Å; C212-H321 PolarHBondContact N-O 3.26Å; P319-H321 VanDerWaalsContact C-N 3.32Å; H321-L342 HydrophobicContact CB-CD1 4.27Å; H321-L342 HydrophobicContact CB-CD2 4.18Å; H321-S406 WeakPolarHBondContact CA-O 3.18Å; H321-S406 PolarHBondContact CE1-OG 3.03Å; H321-S406 WeakPolarHBondContact ND1-CB 2.99Å; H321-S406 PolarHBondContact ND1-OG 3.28Å
322	V	97	Very high	91.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.7	168.7	-178.7	0	0	0	0	108.2	C212 V214 L311 A314 P319 C404 S406 W407 M408	C212-V322 HydrophobicContact CB-CG2 4.16Å; C212-V322 CarbonylContact O-C 3.52Å; C212-V322 WeakPolarHBondContact O-CA 3.43Å; V214-V322 HydrophobicContact CG2-CG1 4.32Å; L311-V322 HydrophobicContact CD2-CG1 3.73Å; A314-V322 HydrophobicContact CB-CG1 4.48Å; P319-V322 HydrophobicContact CB-CG2 4.07Å; P319-V322 HydrophobicContact CG-CG2 3.49Å; P319-V322 VanDerWaalsContact CG-CG2 3.49Å; V322-C404 HydrophobicContact CB-CB 4.25Å; V322-C404 HydrophobicContact CG2-CB 3.53Å; V322-S406 PolarHBondContact N-O 3.31Å; V322-W407 CarbonylContact O-C 3.29Å; V322-W407 VanDerWaalsContact O-CA 3.29Å; V322-W407 WeakPolarHBondContact O-CA 3.17Å; V322-M408 PolarHBondContact O-N 3.27Å
323	I	96.9	Very high	89.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.1	174	-57.1	168	0	0	0	107.8	C212 L213 V214 L342 M346 M408 M410 L441	C212-I323 PolarHBondContact O-N 3.47Å; L213-I323 CarbonylContact C-O 3.51Å; L213-I323 WeakPolarHBondContact CA-O 3.49Å; L213-I323 HydrophobicContact CD2-CB 3.84Å; L213-I323 HydrophobicContact CD2-CD1 4.31Å; L213-I323 HydrophobicContact CD2-CG2 4.46Å; V214-I323 PolarHBondContact N-O 3.06Å; I323-L342 HydrophobicContact CG1-CD1 3.94Å; I323-M346 HydrophobicContact CD1-CE 4.04Å; I323-M346 HydrophobicContact CG2-CE 4.24Å; I323-M408 CarbonylContact C-O 3.59Å; I323-M408 WeakPolarHBondContact CA-O 3.23Å; I323-M408 HydrophobicContact CG1-CB 4.42Å; I323-M408 HydrophobicContact CG2-CG 4.47Å; I323-M410 HydrophobicContact CG2-CG 4.32Å; I323-M410 HydrophobicContact CG2-SD 4.05Å; I323-L441 HydrophobicContact CD1-CD2 4.34Å
324	D	97.7	Very high	87.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	144.3	172.9	80	90.4	0	0	0	112.4	V214 L311 W407 M408 H409 M410	V214-D324 HydrophobicContact CB-CB 3.76Å; V214-D324 HydrophobicContact CG1-CB 4.44Å; V214-D324 CarbonylContact O-C 3.49Å; V214-D324 WeakPolarHBondContact O-CA 3.24Å; L311-D324 HydrophobicContact CD2-CB 4.22Å; D324-W407 PolarHBondContact OD2-NE1 3.44Å; D324-M408 PolarHBondContact N-O 3.04Å; D324-H409 IonicContact OD1-CE1 2.94Å; D324-H409 IonicContact OD1-CG 3.85Å; D324-H409 IonicContact OD1-ND1 3.14Å; D324-H409 PolarHBondContact OD1-ND1 3.14Å; D324-H409 WeakPolarHBondContact OD2-CA 3.29Å; D324-H409 IonicContact OD2-ND1 2.99Å; D324-M410 PolarHBondContact O-N 3.46Å
325	V	97.2	Very high	86.1	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.3	-176.2	-170.4	0	0	0	0	109	V214 G215 K216 G242 C245 V246 M410 I412	V214-V325 PolarHBondContact O-N 3.24Å; G215-V325 WeakPolarHBondContact CA-O 3.07Å; K216-V325 PolarHBondContact N-O 3.49Å; G242-V325 WeakPolarHBondContact CA-O 3.43Å; C245-V325 HydrophobicContact CB-CG1 4.15Å; V246-V325 HydrophobicContact CG2-CB 4.4Å; V246-V325 HydrophobicContact CG2-CG2 4.23Å; V325-M410 HydrophobicContact CG1-CB 4.41Å; V325-M410 HydrophobicContact CG2-CB 4.34Å; V325-M410 HydrophobicContact CG2-SD 4.21Å; V325-I412 HydrophobicContact CG1-CD1 3.8Å; V325-I412 HydrophobicContact CG1-CG1 4.1Å; V325-I412 HydrophobicContact CG1-CG2 3.79Å
326	A	97	Very high	84.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	143.8	-175.9	0	0	0	0	0	113.5	K216 L307 L328 M410 D411 I412	K216-A326 HydrophobicContact CB-CB 3.54Å; K216-A326 HydrophobicContact CD-CB 4.14Å; K216-A326 HydrophobicContact CG-CB 4.4Å; L307-A326 HydrophobicContact CD1-CB 3.77Å; A326-L328 VanDerWaalsContact C-N 3.26Å; A326-L328 HydrophobicContact CB-CB 3.98Å; A326-L328 HydrophobicContact CB-CD1 4.34Å; A326-L328 PolarHBondContact O-N 3.18Å; A326-L328 VanDerWaalsContact O-N 3.14Å; A326-M410 PolarHBondContact N-O 2.88Å; A326-D411 WeakPolarHBondContact O-CA 3.45Å; A326-I412 WeakPolarHBondContact O-CG1 3.41Å; A326-I412 PolarHBondContact O-N 3.49Å
327	T	94.6	Very high	82.8	Confident	4 Å²	4	28 Å²	28	3%	0.025	18%	0.18	C	C	.	.			trans	-78.3	78.6	158.9	39.8	0	0	0	0	108	K216 Y238 D239 I412 S416	K216-T327 WeakPolarHBondContact CD-O 3.22Å; K216-T327 PolarHBondContact NZ-O 3.38Å; Y238-T327 HydrophobicContact CD2-CG2 4.3Å; D239-T327 WeakPolarHBondContact CA-OG1 3.42Å; D239-T327 PolarHBondContact O-OG1 3.43Å; D239-T327 WeakPolarHBondContact OD1-CB 3.38Å; D239-T327 VanDerWaalsContact OD1-O 3.09Å; D239-T327 PolarHBondContact OD1-OG1 3.48Å; T327-I412 HydrophobicContact CG2-CD1 4.29Å; T327-I412 HydrophobicContact CG2-CG1 3.99Å; T327-S416 WeakPolarHBondContact CG2-OG 3.4Å
328	L	92.3	Very high	81.1	Confident	21 Å²	21	25.7 Å²	25.7	11%	0.11	17%	0.17	C	C	.	.			trans	-97.6	-44.5	-162.4	-162	64	0	0	0	114.1	R304 L307 A326 A394 L398 H409 D411	R304-L328 HydrophobicContact CB-CD1 4.2Å; L307-L328 HydrophobicContact CD1-CD1 4.22Å; A326-L328 VanDerWaalsContact C-N 3.26Å; A326-L328 HydrophobicContact CB-CB 3.98Å; A326-L328 HydrophobicContact CB-CD1 4.34Å; A326-L328 PolarHBondContact O-N 3.18Å; A326-L328 VanDerWaalsContact O-N 3.14Å; L328-A394 HydrophobicContact CD2-CB 3.71Å; L328-A394 HydrophobicContact CG-CB 4.31Å; L328-L398 HydrophobicContact CD2-CD1 3.69Å; L328-H409 VanDerWaalsContact CD2-CE1 3.46Å; L328-H409 WeakPolarHBondContact CD2-CE1 3.39Å; L328-H409 WeakPolarHBondContact CD2-NE2 3.21Å; L328-D411 PolarHBondContact N-OD1 3.32Å
329	T	83.6	Confident	79.4	Confident	13 Å²	13	25.1 Å²	25.1	8%	0.08	16%	0.156	C	C	.	.			trans	-135.2	131.7	-175.1	68.8	0	0	0	0	112.1	E331 T332 S391 A394 D411 A413	T329-E331 PolarHBondContact O-N 3.12Å; T329-E331 VanDerWaalsContact O-N 3.08Å; T329-T332 PolarHBondContact O-N 3.5Å; T329-T332 PolarHBondContact OG1-OG1 3.36Å; T329-S391 PolarHBondContact OG1-OG 3.16Å; T329-A394 HydrophobicContact CG2-CB 3.67Å; T329-D411 PolarHBondContact N-OD2 3.32Å; T329-D411 PolarHBondContact OG1-OD2 3.15Å; T329-A413 WeakPolarHBondContact O-CB 3.19Å
330	G	73.3	Confident	77.7	Confident	81 Å²	81	27.1 Å²	27.1	84%	0.835	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.5	180	0	0	0	0	0	114.7
331	E	60.1	Low	76.7	Confident	106 Å²	106	34.4 Å²	34.4	50%	0.495	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.7	-179.1	-63.3	-177.2	-175.8	0	0	113.3	T329 G390	T329-E331 PolarHBondContact O-N 3.12Å; T329-E331 VanDerWaalsContact O-N 3.08Å; E331-G390 WeakPolarHBondContact OE2-CA 3.32Å; E331-G390 PolarHBondContact OE2-N 3.38Å
332	T	60.3	Low	76.4	Confident	8 Å²	8	33.1 Å²	33.1	5%	0.049	19%	0.19	C	C	.	.			trans	-97.4	139.4	-169.4	-50.3	0	0	0	0	113.7	T329 A335 S391 D411 G414	T329-T332 PolarHBondContact O-N 3.5Å; T329-T332 PolarHBondContact OG1-OG1 3.36Å; T332-A335 HydrophobicContact CG2-CB 3.31Å; T332-A335 VanDerWaalsContact CG2-N 3.26Å; T332-S391 VanDerWaalsContact OG1-CB 3.26Å; T332-S391 WeakPolarHBondContact OG1-CB 3.15Å; T332-S391 PolarHBondContact OG1-OG 2.75Å; T332-D411 WeakPolarHBondContact CB-OD2 3.33Å; T332-D411 HydrophobicContact CG2-CB 4.12Å; T332-D411 PolarHBondContact OG1-OD2 3.36Å; T332-G414 WeakPolarHBondContact O-CA 3.28Å; T332-G414 PolarHBondContact O-N 2.67Å; T332-G414 VanDerWaalsContact O-N 3.12Å
333	L	58.6	Low	76.1	Confident	142 Å²	142	34.4 Å²	34.4	74%	0.743	19%	0.194	S	C	*	.	S	Bend	trans	-106.3	33	172.3	-75	167.1	0	0	0	113.9
334	I	58.7	Low	75.9	Confident	26 Å²	26	40.2 Å²	40.2	13%	0.133	22%	0.221	C	C	.	.	S	Bend	trans	88.1	111.8	-156.6	-52.3	-168.4	0	0	0	112.9	R356 V415	I334-R356 WeakPolarHBondContact CD1-O 3.43Å; I334-V415 HydrophobicContact CD1-CB 3.92Å; I334-V415 HydrophobicContact CD1-CG1 3.4Å; I334-V415 VanDerWaalsContact CD1-CG1 3.4Å; I334-V415 HydrophobicContact CD1-CG2 3.62Å; I334-V415 HydrophobicContact CG1-CB 3.78Å; I334-V415 HydrophobicContact CG1-CG1 3.1Å; I334-V415 HydrophobicContact CG1-CG2 3.45Å; I334-V415 VanDerWaalsContact CG1-CG2 3.45Å
335	A	62.9	Low	75.6	Confident	2 Å²	2	44.8 Å²	44.8	2%	0.017	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	125.8	168.7	0	0	0	0	0	110.6	T332 M360 D411	T332-A335 HydrophobicContact CG2-CB 3.31Å; T332-A335 VanDerWaalsContact CG2-N 3.26Å; A335-M360 HydrophobicContact CB-CB 3.99Å; A335-M360 HydrophobicContact CB-CG 3.22Å; A335-D411 HydrophobicContact CB-CB 4.45Å; A335-D411 PolarHBondContact N-O 2.94Å; A335-D411 VanDerWaalsContact N-O 3.16Å; A335-D411 PolarHBondContact O-N 3.21Å
336	A	62	Low	75.5	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.7	159.7	0	0	0	0	0	107.4	V338 W343 W358 R359 M360 H409	A336-V338 HydrophobicContact CB-CG2 3.59Å; A336-W343 HydrophobicContact CB-CZ3 4.25Å; A336-W358 PolarHBondContact N-O 3.26Å; A336-R359 CarbonylContact O-C 3.55Å; A336-R359 WeakPolarHBondContact O-CA 3.39Å; A336-M360 PolarHBondContact O-N 3.35Å; A336-H409 CarbonylContact C-O 3.6Å; A336-H409 VanDerWaalsContact CA-O 3.29Å; A336-H409 WeakPolarHBondContact CA-O 3.46Å
337	V	63.5	Low	75.3	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	115.9	167.9	-178.2	0	0	0	0	106.8	M360 L362 A395 H409	V337-M360 HydrophobicContact CG2-CB 3.62Å; V337-L362 HydrophobicContact CG1-CB 3.63Å; V337-L362 HydrophobicContact CG1-CD1 3.8Å; V337-L362 HydrophobicContact CG1-CG 4.19Å; V337-A395 HydrophobicContact CB-CB 3.57Å; V337-A395 HydrophobicContact CG1-CB 3.5Å; V337-A395 VanDerWaalsContact CG1-CB 3.5Å; V337-A395 HydrophobicContact CG2-CB 3.59Å; V337-H409 HydrophobicContact CB-CB 4.45Å; V337-H409 PolarHBondContact N-O 2.85Å; V337-H409 PolarHBondContact O-N 3.15Å
338	V	63.6	Low	75.3	Confident	5 Å²	5	49 Å²	49	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.9	-160.6	-171.9	0	0	0	0	113.3	A336 L342 W343 R359 M408	A336-V338 HydrophobicContact CB-CG2 3.59Å; V338-L342 HydrophobicContact CG1-CB 4.31Å; V338-W343 HydrophobicContact CB-CB 4.25Å; V338-W343 HydrophobicContact CG1-CB 3.66Å; V338-W343 HydrophobicContact CG2-CE3 4Å; V338-R359 PolarHBondContact O-NH2 3.1Å; V338-M408 HydrophobicContact CB-CE 4.15Å; V338-M408 HydrophobicContact CG1-CB 4.42Å; V338-M408 HydrophobicContact CG1-CE 3.47Å; V338-M408 VanDerWaalsContact CG1-CE 3.47Å; V338-M408 HydrophobicContact CG2-CE 3.52Å; V338-M408 HydrophobicContact CG2-CG 3.97Å; V338-M408 HydrophobicContact CG2-SD 4.31Å
339	V	61.2	Low	75.4	Confident	39 Å²	39	48.1 Å²	48.1	24%	0.236	27%	0.265	C	S	.	.			trans	-77	129.9	160.1	-171.9	0	0	0	0	109.1	R341 L342 L362 K405 W407	V339-R341 VanDerWaalsContact C-N 3.26Å; V339-R341 PolarHBondContact O-N 2.87Å; V339-L342 PolarHBondContact O-N 2.93Å; V339-L362 HydrophobicContact CG2-CD2 4.15Å; V339-K405 VanDerWaalsContact CG1-O 3.27Å; V339-K405 WeakPolarHBondContact CG1-O 3.38Å; V339-W407 WeakPolarHBondContact CB-O 3.25Å; V339-W407 HydrophobicContact CG2-CE3 4.02Å; V339-W407 PolarHBondContact N-O 3.22Å; V339-W407 VanDerWaalsContact N-O 3.11Å
340	A	59.9	Low	76	Confident	62 Å²	62	47.6 Å²	47.6	51%	0.512	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-28	-154.2	0	0	0	0	0	118.7	L342	A340-L342 PolarHBondContact O-N 3.48Å
341	R	74.2	Confident	77	Confident	184 Å²	184	43.8 Å²	43.8	69%	0.694	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-31.8	-170.4	-65.4	-175.7	73.5	-173.3	2	114.9	V339	V339-R341 VanDerWaalsContact C-N 3.26Å; V339-R341 PolarHBondContact O-N 2.87Å
342	L	89	Confident	78.5	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-19.8	-177.5	-76.2	169.7	0	0	0	113.6	H321 I323 V338 V339 A340 E344 K345 M346 S406 M408 L444	H321-L342 HydrophobicContact CB-CD1 4.27Å; H321-L342 HydrophobicContact CB-CD2 4.18Å; I323-L342 HydrophobicContact CG1-CD1 3.94Å; V338-L342 HydrophobicContact CG1-CB 4.31Å; V339-L342 PolarHBondContact O-N 2.93Å; A340-L342 PolarHBondContact O-N 3.48Å; L342-E344 PolarHBondContact O-N 2.95Å; L342-K345 PolarHBondContact O-N 2.95Å; L342-M346 PolarHBondContact O-N 3.32Å; L342-M346 VanDerWaalsContact O-N 3.08Å; L342-S406 WeakPolarHBondContact CD1-O 3.23Å; L342-S406 WeakPolarHBondContact CG-OG 3.34Å; L342-M408 HydrophobicContact CB-CB 4.36Å; L342-M408 HydrophobicContact CB-CE 3.53Å; L342-M408 HydrophobicContact CD1-CB 3.79Å; L342-L444 HydrophobicContact CD2-CD1 3.9Å; L342-L444 HydrophobicContact CD2-CD2 3.85Å
343	W	91.7	Very high	80.1	Confident	26 Å²	26	41.8 Å²	41.8	10%	0.098	21%	0.214	C	C	.	.	H	α-helix	trans	-57.9	-51.9	-170.7	170.2	-114	0	0	0	112.2	A336 V338 K345 M346 F347 V357 R359	A336-W343 HydrophobicContact CB-CZ3 4.25Å; V338-W343 HydrophobicContact CB-CB 4.25Å; V338-W343 HydrophobicContact CG1-CB 3.66Å; V338-W343 HydrophobicContact CG2-CE3 4Å; W343-K345 VanDerWaalsContact C-N 3.31Å; W343-K345 PolarHBondContact O-N 2.71Å; W343-M346 PolarHBondContact O-N 3.44Å; W343-F347 HydrophobicContact CD2-CB 4.25Å; W343-F347 HydrophobicContact CE3-CB 4.47Å; W343-F347 HydrophobicContact CH2-CB 4.17Å; W343-F347 AromaticContact CH2-CD2 3.49Å; W343-F347 HydrophobicContact CH2-CD2 3.49Å; W343-F347 VanDerWaalsContact CH2-CD2 3.49Å; W343-F347 HydrophobicContact CH2-CE2 4.27Å; W343-F347 HydrophobicContact CH2-CG 4.19Å; W343-F347 HydrophobicContact CZ2-CB 3.91Å; W343-F347 AromaticContact CZ2-CD2 3.3Å; W343-F347 HydrophobicContact CZ2-CD2 3.3Å; W343-F347 AromaticContact CZ2-CE2 3.97Å; W343-F347 HydrophobicContact CZ2-CE2 3.97Å; W343-F347 AromaticContact CZ2-CG 3.75Å; W343-F347 HydrophobicContact CZ2-CG 3.75Å; W343-F347 HydrophobicContact CZ3-CB 4.45Å; W343-F347 HydrophobicContact CZ3-CD2 4.44Å; W343-F347 WeakPolarHBondContact O-CB 3.44Å; W343-F347 PolarHBondContact O-N 3.13Å; W343-V357 HydrophobicContact CH2-CG2 4.08Å; W343-V357 HydrophobicContact CZ3-CB 4.28Å; W343-V357 HydrophobicContact CZ3-CG2 3.74Å; W343-R359 HydrophobicContact CD2-CB 3.94Å; W343-R359 HydrophobicContact CD2-CG 4.07Å; W343-R359 HydrophobicContact CE3-CB 3.9Å; W343-R359 HydrophobicContact CE3-CG 4.14Å; W343-R359 HydrophobicContact CH2-CB 3.64Å; W343-R359 HydrophobicContact CZ2-CB 3.68Å; W343-R359 HydrophobicContact CZ3-CB 3.74Å; W343-R359 HydrophobicContact CZ3-CG 4.44Å
344	E	91.8	Very high	81.7	Confident	122 Å²	122	35.6 Å²	35.6	57%	0.57	19%	0.185	S	C	*	.	H	α-helix	trans	-60.5	-40.6	-175.1	-63.2	-56	143.7	0	0	112.6	L342 A348	L342-E344 PolarHBondContact O-N 2.95Å; E344-A348 VanDerWaalsContact O-CB 3.28Å; E344-A348 WeakPolarHBondContact O-CB 3.35Å; E344-A348 PolarHBondContact O-N 2.66Å
345	K	92.7	Very high	83.2	Confident	96 Å²	96	34.4 Å²	34.4	42%	0.417	18%	0.179	S	C	.	.	H	α-helix	trans	-67.5	-45.8	178.5	-67	-71.1	-172.2	156.6	0	111.4	L342 W343 A349 S443 L444	L342-K345 PolarHBondContact O-N 2.95Å; W343-K345 VanDerWaalsContact C-N 3.31Å; W343-K345 PolarHBondContact O-N 2.71Å; K345-A349 WeakPolarHBondContact O-CB 3.36Å; K345-A349 PolarHBondContact O-N 3.04Å; K345-S443 PolarHBondContact NZ-O 2.93Å; K345-L444 HydrophobicContact CB-CD2 4.24Å; K345-L444 HydrophobicContact CG-CD2 4.05Å
346	M	94.2	Very high	84.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-39.3	178	-168.2	65.7	80.4	0	0	112	I323 L342 W343 A349 G350 V357 M408 M410 T436 C440	I323-M346 HydrophobicContact CD1-CE 4.04Å; I323-M346 HydrophobicContact CG2-CE 4.24Å; L342-M346 PolarHBondContact O-N 3.32Å; L342-M346 VanDerWaalsContact O-N 3.08Å; W343-M346 PolarHBondContact O-N 3.44Å; M346-A349 PolarHBondContact O-N 2.85Å; M346-G350 PolarHBondContact O-N 2.84Å; M346-V357 HydrophobicContact CG-CG1 4.12Å; M346-V357 HydrophobicContact CG-CG2 4.04Å; M346-M408 HydrophobicContact CB-CE 3.56Å; M346-M408 HydrophobicContact CB-SD 3.99Å; M346-M408 HydrophobicContact CE-CE 4.46Å; M346-M408 HydrophobicContact CE-SD 3.45Å; M346-M408 WeakPolarHBondContact CE-SD 3.28Å; M346-M408 HydrophobicContact CG-CE 3.97Å; M346-M408 HydrophobicContact CG-SD 3.75Å; M346-M408 HydrophobicContact SD-SD 4.44Å; M346-M410 HydrophobicContact CE-CE 4.29Å; M346-M410 HydrophobicContact CE-SD 3.75Å; M346-M410 HydrophobicContact CG-CE 4.34Å; M346-M410 HydrophobicContact SD-CE 4.1Å; M346-M410 HydrophobicContact SD-SD 4.34Å; M346-T436 HydrophobicContact CG-CG2 4.2Å; M346-T436 HydrophobicContact SD-CG2 3.53Å; M346-T436 VanDerWaalsContact SD-CG2 3.53Å; M346-C440 HydrophobicContact CE-CB 3.96Å; M346-C440 HydrophobicContact SD-CB 3.59Å; M346-C440 VanDerWaalsContact SD-CB 3.59Å
347	F	93.6	Very high	86	Confident	42 Å²	42	39.3 Å²	39.3	18%	0.184	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-48.1	176.9	-177.6	-107.5	0	0	0	111.7	Q53 W343 A349 G350 G351 V357	Q53-F347 HydrophobicContact CB-CE2 4.2Å; Q53-F347 HydrophobicContact CB-CZ 3.95Å; Q53-F347 HydrophobicContact CG-CE2 4.28Å; Q53-F347 HydrophobicContact CG-CZ 3.85Å; Q53-F347 VanDerWaalsContact OE1-CE2 3.24Å; W343-F347 HydrophobicContact CD2-CB 4.25Å; W343-F347 HydrophobicContact CE3-CB 4.47Å; W343-F347 HydrophobicContact CH2-CB 4.17Å; W343-F347 AromaticContact CH2-CD2 3.49Å; W343-F347 HydrophobicContact CH2-CD2 3.49Å; W343-F347 VanDerWaalsContact CH2-CD2 3.49Å; W343-F347 HydrophobicContact CH2-CE2 4.27Å; W343-F347 HydrophobicContact CH2-CG 4.19Å; W343-F347 HydrophobicContact CZ2-CB 3.91Å; W343-F347 AromaticContact CZ2-CD2 3.3Å; W343-F347 HydrophobicContact CZ2-CD2 3.3Å; W343-F347 AromaticContact CZ2-CE2 3.97Å; W343-F347 HydrophobicContact CZ2-CE2 3.97Å; W343-F347 AromaticContact CZ2-CG 3.75Å; W343-F347 HydrophobicContact CZ2-CG 3.75Å; W343-F347 HydrophobicContact CZ3-CB 4.45Å; W343-F347 HydrophobicContact CZ3-CD2 4.44Å; W343-F347 WeakPolarHBondContact O-CB 3.44Å; W343-F347 PolarHBondContact O-N 3.13Å; F347-A349 VanDerWaalsContact C-N 3.34Å; F347-A349 PolarHBondContact O-N 3.5Å; F347-G350 PolarHBondContact O-N 3.44Å; F347-G351 PolarHBondContact O-N 2.51Å; F347-V357 HydrophobicContact CB-CG2 4.49Å; F347-V357 HydrophobicContact CD2-CG2 4.48Å
348	A	94.3	Very high	87.3	Confident	52 Å²	52	46.2 Å²	46.2	43%	0.43	22%	0.223	S	C	.	.	H	α-helix	trans	-60	-43.8	174.7	0	0	0	0	0	111.8	E344 G351 I352	E344-A348 VanDerWaalsContact O-CB 3.28Å; E344-A348 WeakPolarHBondContact O-CB 3.35Å; E344-A348 PolarHBondContact O-N 2.66Å; A348-G351 PolarHBondContact O-N 2.84Å; A348-I352 WeakPolarHBondContact O-CG1 3.45Å; A348-I352 PolarHBondContact O-N 3.49Å; A348-I352 VanDerWaalsContact O-N 3.1Å
349	A	95.3	Very high	88.7	Confident	3 Å²	3	51 Å²	51	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-46.5	175	0	0	0	0	0	111.8	K345 M346 F347 G351 I352 T353 T436 T439 C440	K345-A349 WeakPolarHBondContact O-CB 3.36Å; K345-A349 PolarHBondContact O-N 3.04Å; M346-A349 PolarHBondContact O-N 2.85Å; F347-A349 VanDerWaalsContact C-N 3.34Å; F347-A349 PolarHBondContact O-N 3.5Å; A349-G351 VanDerWaalsContact C-N 3.27Å; A349-G351 PolarHBondContact O-N 3.24Å; A349-I352 PolarHBondContact O-N 3.28Å; A349-I352 VanDerWaalsContact O-N 3.17Å; A349-T353 VanDerWaalsContact O-CG2 3.25Å; A349-T353 WeakPolarHBondContact O-CG2 3.29Å; A349-T353 PolarHBondContact O-N 3.37Å; A349-T353 PolarHBondContact O-OG1 2.82Å; A349-T436 HydrophobicContact CB-CG2 4.12Å; A349-T439 HydrophobicContact CB-CG2 3.9Å; A349-C440 HydrophobicContact CB-CB 3.91Å
350	G	94.6	Very high	90.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-38.6	175.5	0	0	0	0	0	113.3	M346 F347 T353 G354 D355 T436	M346-G350 PolarHBondContact O-N 2.84Å; F347-G350 PolarHBondContact O-N 3.44Å; G350-T353 PolarHBondContact O-OG1 2.79Å; G350-G354 CarbonylContact O-C 3.58Å; G350-G354 WeakPolarHBondContact O-CA 3.4Å; G350-G354 PolarHBondContact O-N 3.1Å; G350-D355 WeakPolarHBondContact CA-O 3.17Å; G350-D355 PolarHBondContact O-N 3.37Å; G350-T436 WeakPolarHBondContact CA-OG1 3.43Å
351	G	94.1	Very high	91.6	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-38.8	175.8	0	0	0	0	0	114.1	Q53 L54 H55 F347 A348 A349	Q53-G351 WeakPolarHBondContact O-CA 3.39Å; L54-G351 CarbonylContact C-O 3.46Å; L54-G351 WeakPolarHBondContact CA-O 3.35Å; H55-G351 PolarHBondContact N-O 2.78Å; F347-G351 PolarHBondContact O-N 2.51Å; A348-G351 PolarHBondContact O-N 2.84Å; A349-G351 VanDerWaalsContact C-N 3.27Å; A349-G351 PolarHBondContact O-N 3.24Å
352	I	92.7	Very high	92.4	Very high	70 Å²	70	44 Å²	44	36%	0.359	21%	0.208	S	C	.	.	H	α-helix	trans	-71.7	-44	178.3	-68.2	166.3	0	0	0	110.9	R62 A348 A349 G354	R62-I352 PolarHBondContact NH2-O 2.72Å; A348-I352 WeakPolarHBondContact O-CG1 3.45Å; A348-I352 PolarHBondContact O-N 3.49Å; A348-I352 VanDerWaalsContact O-N 3.1Å; A349-I352 PolarHBondContact O-N 3.28Å; A349-I352 VanDerWaalsContact O-N 3.17Å; I352-G354 VanDerWaalsContact C-N 3.34Å
353	T	93.3	Very high	92.6	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-78.9	-20.2	-177.3	67.2	0	0	0	0	112.1	R62 A349 G350 D355 R435 T436 T439	R62-T353 PolarHBondContact NH1-O 3.4Å; R62-T353 PolarHBondContact NH2-O 3.38Å; A349-T353 VanDerWaalsContact O-CG2 3.25Å; A349-T353 WeakPolarHBondContact O-CG2 3.29Å; A349-T353 PolarHBondContact O-N 3.37Å; A349-T353 PolarHBondContact O-OG1 2.82Å; G350-T353 PolarHBondContact O-OG1 2.79Å; T353-D355 PolarHBondContact O-N 3.03Å; T353-D355 WeakPolarHBondContact OG1-CB 3.44Å; T353-D355 PolarHBondContact OG1-N 2.76Å; T353-R435 HydrophobicContact CG2-CB 3.91Å; T353-R435 WeakPolarHBondContact CG2-O 3.23Å; T353-R435 PolarHBondContact O-NH1 3.46Å; T353-R435 PolarHBondContact O-NH2 3.14Å; T353-T436 PolarHBondContact OG1-OG1 3.39Å; T353-T439 HydrophobicContact CG2-CG2 4.41Å; T353-T439 WeakPolarHBondContact CG2-OG1 3.11Å
354	G	91.5	Very high	92.6	Very high	12 Å²	12	56.6 Å²	56.6	12%	0.124	26%	0.263	C	S	.	.	S	Bend	trans	71.8	-1.4	-167.7	0	0	0	0	0	113.2	G350 I352 R356	G350-G354 CarbonylContact O-C 3.58Å; G350-G354 WeakPolarHBondContact O-CA 3.4Å; G350-G354 PolarHBondContact O-N 3.1Å; I352-G354 VanDerWaalsContact C-N 3.34Å; G354-R356 VanDerWaalsContact C-N 3.27Å; G354-R356 PolarHBondContact O-N 3Å; G354-R356 VanDerWaalsContact O-N 3.16Å
355	D	91.6	Very high	92.7	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	26%	0.26	C	S	.	.			trans	-88.6	72.8	171	-145.6	-26.3	0	0	0	109.2	G350 T353 R432 P433 R435 T436	G350-D355 WeakPolarHBondContact CA-O 3.17Å; G350-D355 PolarHBondContact O-N 3.37Å; T353-D355 PolarHBondContact O-N 3.03Å; T353-D355 WeakPolarHBondContact OG1-CB 3.44Å; T353-D355 PolarHBondContact OG1-N 2.76Å; D355-R432 IonicContact OD1-CZ 3Å; D355-R432 VanDerWaalsContact OD1-CZ 3.28Å; D355-R432 IonicContact OD1-NE 2.92Å; D355-R432 PolarHBondContact OD1-NE 2.67Å; D355-R432 IonicContact OD1-NH2 3.17Å; D355-R432 PolarHBondContact OD1-NH2 3.25Å; D355-R432 WeakPolarHBondContact OD2-CB 3.28Å; D355-R432 VanDerWaalsContact OD2-CG 3.28Å; D355-R432 WeakPolarHBondContact OD2-CG 3.47Å; D355-R432 IonicContact OD2-NE 3.37Å; D355-P433 WeakPolarHBondContact OD2-CA 3.47Å; D355-R435 IonicContact OD2-NH2 2.71Å; D355-T436 VanDerWaalsContact CB-OG1 3.31Å; D355-T436 WeakPolarHBondContact CB-OG1 3.39Å; D355-T436 PolarHBondContact O-OG1 3.47Å
356	R	91.4	Very high	92.8	Very high	101 Å²	101	52.9 Å²	52.9	38%	0.381	25%	0.246	S	C	.	.			trans	-59.8	148	-170.4	-64.2	179.2	-70.9	-166.2	2.1	112	E52 L54 I334 G354	E52-R356 WeakPolarHBondContact O-CD 3.17Å; E52-R356 PolarHBondContact O-NH1 2.76Å; E52-R356 IonicContact OE2-NH1 3.92Å; E52-R356 PolarHBondContact OE2-NH1 3.26Å; L54-R356 HydrophobicContact CB-CG 4.45Å; I334-R356 WeakPolarHBondContact CD1-O 3.43Å; G354-R356 VanDerWaalsContact C-N 3.27Å; G354-R356 PolarHBondContact O-N 3Å; G354-R356 VanDerWaalsContact O-N 3.16Å
357	V	91.6	Very high	92.8	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.03	25%	0.252	C	S	.	.			trans	-119	149.5	171	-65.5	0	0	0	0	108.9	W343 M346 F347 M410 T436	W343-V357 HydrophobicContact CH2-CG2 4.08Å; W343-V357 HydrophobicContact CZ3-CB 4.28Å; W343-V357 HydrophobicContact CZ3-CG2 3.74Å; M346-V357 HydrophobicContact CG-CG1 4.12Å; M346-V357 HydrophobicContact CG-CG2 4.04Å; F347-V357 HydrophobicContact CB-CG2 4.49Å; F347-V357 HydrophobicContact CD2-CG2 4.48Å; V357-M410 HydrophobicContact CG1-CE 3.74Å; V357-T436 HydrophobicContact CG1-CG2 3.97Å
358	W	91.8	Very high	92.8	Very high	146 Å²	146	55.2 Å²	55.2	55%	0.553	26%	0.263	S	S	*	.			trans	-127.2	136.6	177.5	-166.9	-96.5	0	0	0	110.2	A336	A336-W358 PolarHBondContact N-O 3.26Å
359	R	91.9	Very high	92.8	Very high	105 Å²	105	52.9 Å²	52.9	40%	0.396	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.8	-176.4	-164.5	175.7	-176.1	-178.3	-1.8	110.4	A336 V338 W343	A336-R359 CarbonylContact O-C 3.55Å; A336-R359 WeakPolarHBondContact O-CA 3.39Å; V338-R359 PolarHBondContact O-NH2 3.1Å; W343-R359 HydrophobicContact CD2-CB 3.94Å; W343-R359 HydrophobicContact CD2-CG 4.07Å; W343-R359 HydrophobicContact CE3-CB 3.9Å; W343-R359 HydrophobicContact CE3-CG 4.14Å; W343-R359 HydrophobicContact CH2-CB 3.64Å; W343-R359 HydrophobicContact CZ2-CB 3.68Å; W343-R359 HydrophobicContact CZ3-CB 3.74Å; W343-R359 HydrophobicContact CZ3-CG 4.44Å
360	M	91.5	Very high	92.8	Very high	58 Å²	58	52.8 Å²	52.8	29%	0.286	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	151.3	171.2	-72.5	-60.8	-81.9	0	0	111.1	A335 A336 V337	A335-M360 HydrophobicContact CB-CB 3.99Å; A335-M360 HydrophobicContact CB-CG 3.22Å; A336-M360 PolarHBondContact O-N 3.35Å; V337-M360 HydrophobicContact CG2-CB 3.62Å
361	P	91	Very high	92.9	Very high	36 Å²	36	55.8 Å²	55.8	23%	0.234	26%	0.256	C	S	.	.			trans	-75.9	140.5	-172.8	30.4	-35.7	0	0	0	112.9	F363 Y366	P361-F363 HydrophobicContact CB-CD1 4.02Å; P361-F363 HydrophobicContact CB-CD2 3.79Å; P361-F363 HydrophobicContact CB-CE1 3.71Å; P361-F363 HydrophobicContact CB-CE2 3.46Å; P361-F363 VanDerWaalsContact CB-CE2 3.46Å; P361-F363 HydrophobicContact CB-CG 4.06Å; P361-F363 HydrophobicContact CB-CZ 3.43Å; P361-F363 VanDerWaalsContact CB-CZ 3.43Å; P361-F363 HydrophobicContact CG-CD2 4.5Å; P361-F363 HydrophobicContact CG-CE2 4.21Å; P361-Y366 HydrophobicContact CB-CE2 3.98Å; P361-Y366 HydrophobicContact CG-CE2 3.75Å; P361-Y366 WeakPolarHBondContact CG-OH 2.91Å
362	L	90.9	Very high	92.9	Very high	46 Å²	46	57.7 Å²	57.7	24%	0.241	27%	0.265	C	S	.	.			trans	-115	72.9	168.9	-171.4	68.6	0	0	0	108.9	V337 V339 A395 A396 H399 W407	V337-L362 HydrophobicContact CG1-CB 3.63Å; V337-L362 HydrophobicContact CG1-CD1 3.8Å; V337-L362 HydrophobicContact CG1-CG 4.19Å; V339-L362 HydrophobicContact CG2-CD2 4.15Å; L362-A395 HydrophobicContact CD1-CB 4.27Å; L362-A396 HydrophobicContact CD1-CB 4.45Å; L362-H399 HydrophobicContact CD1-CB 4.31Å; L362-H399 HydrophobicContact CD2-CB 4.37Å; L362-W407 HydrophobicContact CD1-CZ3 4.34Å; L362-W407 HydrophobicContact CD2-CE3 4.32Å; L362-W407 HydrophobicContact CD2-CZ3 3.77Å
363	F	92.2	Very high	92.9	Very high	128 Å²	128	63 Å²	63	56%	0.561	30%	0.295	S	S	*	.			trans	-91.6	148.9	-179.4	-58.6	-27	0	0	0	111.5	P361 H365 Y366	P361-F363 HydrophobicContact CB-CD1 4.02Å; P361-F363 HydrophobicContact CB-CD2 3.79Å; P361-F363 HydrophobicContact CB-CE1 3.71Å; P361-F363 HydrophobicContact CB-CE2 3.46Å; P361-F363 VanDerWaalsContact CB-CE2 3.46Å; P361-F363 HydrophobicContact CB-CG 4.06Å; P361-F363 HydrophobicContact CB-CZ 3.43Å; P361-F363 VanDerWaalsContact CB-CZ 3.43Å; P361-F363 HydrophobicContact CG-CD2 4.5Å; P361-F363 HydrophobicContact CG-CE2 4.21Å; F363-H365 HydrophobicContact CB-CB 4.34Å; F363-H365 PolarHBondContact O-N 3.4Å; F363-H365 VanDerWaalsContact O-N 3.11Å; F363-Y366 HydrophobicContact CB-CD2 3.91Å; F363-Y366 HydrophobicContact CB-CE2 3.9Å; F363-Y366 AromaticContact CD2-CE2 3.86Å; F363-Y366 HydrophobicContact CD2-CE2 3.86Å; F363-Y366 HydrophobicContact CG-CE2 4.08Å; F363-Y366 PolarHBondContact O-N 3.26Å
364	K	93.4	Very high	92.9	Very high	161 Å²	161	67.8 Å²	67.8	70%	0.7	33%	0.328	S	S	*	.	H	α-helix	trans	-50.7	-35.5	171.9	-174.1	-174.4	173.6	-173.2	0	112.1	Y366 A367 D368	K364-Y366 PolarHBondContact O-N 2.86Å; K364-Y366 VanDerWaalsContact O-N 3.16Å; K364-A367 WeakPolarHBondContact O-CA 3.49Å; K364-A367 WeakPolarHBondContact O-CB 3.24Å; K364-A367 PolarHBondContact O-N 3.22Å; K364-D368 WeakPolarHBondContact CE-OD1 3.48Å; K364-D368 PolarHBondContact O-N 3.25Å
365	H	94.1	Very high	93.1	Very high	107 Å²	107	68.2 Å²	68.2	50%	0.495	33%	0.328	S	S	.	.	H	α-helix	trans	-48.1	-43	174.4	176.6	65.2	0	0	0	113.2	F363 D368 C369	F363-H365 HydrophobicContact CB-CB 4.34Å; F363-H365 PolarHBondContact O-N 3.4Å; F363-H365 VanDerWaalsContact O-N 3.11Å; H365-D368 PolarHBondContact O-N 3.33Å; H365-C369 PolarHBondContact O-N 3.05Å; H365-C369 PolarHBondContact O-SG 3.44Å
366	Y	93.6	Very high	93.4	Very high	34 Å²	34	71.8 Å²	71.8	13%	0.133	35%	0.347	C	S	.	.	H	α-helix	trans	-73.9	-29.6	179.3	-54.5	-60.3	0	0	0	112.9	P361 F363 K364 C369 A389 C392 T393	P361-Y366 HydrophobicContact CB-CE2 3.98Å; P361-Y366 HydrophobicContact CG-CE2 3.75Å; P361-Y366 WeakPolarHBondContact CG-OH 2.91Å; F363-Y366 HydrophobicContact CB-CD2 3.91Å; F363-Y366 HydrophobicContact CB-CE2 3.9Å; F363-Y366 AromaticContact CD2-CE2 3.86Å; F363-Y366 HydrophobicContact CD2-CE2 3.86Å; F363-Y366 HydrophobicContact CG-CE2 4.08Å; F363-Y366 PolarHBondContact O-N 3.26Å; K364-Y366 PolarHBondContact O-N 2.86Å; K364-Y366 VanDerWaalsContact O-N 3.16Å; Y366-C369 WeakPolarHBondContact O-CB 3.41Å; Y366-C369 PolarHBondContact O-N 3.28Å; Y366-A389 HydrophobicContact CD1-CB 4.24Å; Y366-A389 HydrophobicContact CE1-CB 3.66Å; Y366-C392 HydrophobicContact CD1-CB 3.62Å; Y366-C392 HydrophobicContact CD2-CB 3.58Å; Y366-C392 HydrophobicContact CE1-CB 3.62Å; Y366-C392 HydrophobicContact CE2-CB 3.59Å; Y366-C392 HydrophobicContact CG-CB 3.6Å; Y366-T393 HydrophobicContact CD1-CG2 4.21Å
367	A	93.6	Very high	93.6	Very high	15 Å²	15	67 Å²	67	12%	0.124	33%	0.329	C	S	.	.	H	α-helix	trans	-67.4	-43.7	171.5	0	0	0	0	0	110.4	K364 C369 I370 H371 A396	K364-A367 WeakPolarHBondContact O-CA 3.49Å; K364-A367 WeakPolarHBondContact O-CB 3.24Å; K364-A367 PolarHBondContact O-N 3.22Å; A367-C369 PolarHBondContact O-N 2.89Å; A367-C369 VanDerWaalsContact O-N 3.13Å; A367-I370 WeakPolarHBondContact O-CG1 3.42Å; A367-I370 PolarHBondContact O-N 3.17Å; A367-H371 PolarHBondContact O-N 2.83Å; A367-H371 PolarHBondContact O-ND1 2.91Å; A367-A396 HydrophobicContact CB-CB 4.36Å
368	D	94.9	Very high	93.9	Very high	76 Å²	76	67 Å²	67	41%	0.406	33%	0.329	S	S	.	.	H	α-helix	trans	-61	-25	176.7	-61.3	-27.2	0	0	0	112	K364 H365 I370 K382	K364-D368 WeakPolarHBondContact CE-OD1 3.48Å; K364-D368 PolarHBondContact O-N 3.25Å; H365-D368 PolarHBondContact O-N 3.33Å; D368-I370 VanDerWaalsContact C-N 3.34Å; D368-I370 PolarHBondContact O-N 3.32Å; D368-K382 WeakPolarHBondContact O-CE 3.33Å; D368-K382 PolarHBondContact O-NZ 2.92Å
369	C	94.9	Very high	94.1	Very high	3 Å²	3	60 Å²	60	2%	0.02	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.9	176.1	-66.1	0	0	0	0	114.6	H365 Y366 A367 A381 K382 F385 T393	H365-C369 PolarHBondContact O-N 3.05Å; H365-C369 PolarHBondContact O-SG 3.44Å; Y366-C369 WeakPolarHBondContact O-CB 3.41Å; Y366-C369 PolarHBondContact O-N 3.28Å; A367-C369 PolarHBondContact O-N 2.89Å; A367-C369 VanDerWaalsContact O-N 3.13Å; C369-A381 HydrophobicContact CB-CB 4.48Å; C369-K382 WeakPolarHBondContact O-CE 3.34Å; C369-K382 WeakPolarHBondContact O-CG 3.04Å; C369-K382 PolarHBondContact O-N 3.11Å; C369-F385 HydrophobicContact CB-CB 4.31Å; C369-F385 HydrophobicContact CB-CD2 3.77Å; C369-F385 HydrophobicContact CB-CE2 4.39Å; C369-F385 HydrophobicContact CB-CG 4.17Å; C369-F385 VanDerWaalsContact SG-CD2 3.53Å; C369-T393 HydrophobicContact CB-CG2 4.06Å
370	I	95.2	Very high	94.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-17.7	-175.1	58.2	165.2	0	0	0	113.8	A367 D368 L377 C378 A396 F397	A367-I370 WeakPolarHBondContact O-CG1 3.42Å; A367-I370 PolarHBondContact O-N 3.17Å; D368-I370 VanDerWaalsContact C-N 3.34Å; D368-I370 PolarHBondContact O-N 3.32Å; I370-L377 HydrophobicContact CD1-CD2 4.16Å; I370-L377 HydrophobicContact CG1-CD2 4.41Å; I370-C378 PolarHBondContact O-N 3.39Å; I370-A396 HydrophobicContact CD1-CB 4.24Å; I370-F397 HydrophobicContact CD1-CB 3.71Å; I370-F397 HydrophobicContact CD1-CD2 4.37Å; I370-F397 VanDerWaalsContact CD1-N 3.31Å
371	H	96.6	Very high	94.3	Very high	64 Å²	64	53.4 Å²	53.4	30%	0.296	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-71.8	137.3	174.7	-72.6	89.7	0	0	0	111.3	A367 D376 K382 E400	A367-H371 PolarHBondContact O-N 2.83Å; A367-H371 PolarHBondContact O-ND1 2.91Å; H371-D376 PolarHBondContact CD2-O 3.32Å; H371-K382 WeakPolarHBondContact O-CE 3.18Å; H371-K382 PolarHBondContact O-NZ 3.48Å; H371-E400 IonicContact CE1-OE1 2.8Å; H371-E400 IonicContact NE2-OE1 2.65Å; H371-E400 IonicContact NE2-OE2 3.4Å
372	L	94.1	Very high	94.2	Very high	41 Å²	41	54 Å²	54	22%	0.215	28%	0.277	C	S	.	.			trans	-114.6	162.8	175	-62.2	177.8	0	0	0	110	Q295 V375 C378 K382	Q295-L372 HydrophobicContact CB-CD1 4.1Å; L372-V375 CarbonylContact C-O 3.48Å; L372-V375 HydrophobicContact CB-CG2 3.97Å; L372-V375 WeakPolarHBondContact CB-O 3.43Å; L372-V375 HydrophobicContact CD1-CG2 3.54Å; L372-V375 HydrophobicContact CG-CG2 4.3Å; L372-C378 HydrophobicContact CD1-CB 3.73Å; L372-C378 HydrophobicContact CD2-CB 4.4Å; L372-C378 HydrophobicContact CG-CB 3.98Å; L372-K382 HydrophobicContact CD2-CD 4Å; L372-K382 HydrophobicContact CD2-CG 3.73Å
373	D	92.4	Very high	93.9	Very high	183 Å²	183	56.7 Å²	56.7	98%	0.979	30%	0.298	S	S	*	.	S	Bend	trans	-85.8	-27.7	178.3	-62.3	-34.6	0	0	0	112.3
374	S	92.5	Very high	93.6	Very high	101 Å²	101	56.5 Å²	56.5	71%	0.706	30%	0.298	S	S	*	.	S	Bend	trans	-92.1	-24.5	-175.1	52.8	0	0	0	0	114.5
375	V	95.7	Very high	93.2	Very high	21 Å²	21	51.7 Å²	51.7	13%	0.127	28%	0.278	C	S	.	.	S	Bend	trans	-141.9	162.6	176.4	-62.9	0	0	0	0	107.7	V285 Q295 L372 L377	V285-V375 HydrophobicContact CG1-CG1 3.94Å; V285-V375 HydrophobicContact CG2-CG1 3.91Å; Q295-V375 HydrophobicContact CB-CG2 3.8Å; L372-V375 CarbonylContact C-O 3.48Å; L372-V375 HydrophobicContact CB-CG2 3.97Å; L372-V375 WeakPolarHBondContact CB-O 3.43Å; L372-V375 HydrophobicContact CD1-CG2 3.54Å; L372-V375 HydrophobicContact CG-CG2 4.3Å; V375-L377 PolarHBondContact O-N 3.18Å
376	D	97.7	Very high	92.3	Very high	76 Å²	76	51 Å²	51	41%	0.406	28%	0.276	S	S	.	.	S	Bend	trans	-64.5	-45.3	-173.2	-56	-61.1	0	0	0	111.7	K292 S293 H371	K292-D376 WeakPolarHBondContact CA-OD2 3.15Å; K292-D376 HydrophobicContact CB-CB 4.42Å; S293-D376 PolarHBondContact N-OD2 2.87Å; S293-D376 WeakPolarHBondContact O-CB 3.35Å; S293-D376 PolarHBondContact OG-N 3.32Å; S293-D376 PolarHBondContact OG-OD2 3.19Å; H371-D376 PolarHBondContact CD2-O 3.32Å
377	L	97.4	Very high	91.4	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.3	-171	-58.2	169.8	0	0	0	112.6	K292 S293 I294 Q295 I370 V375 F397 E400 F401	K292-L377 HydrophobicContact CD-CD1 4.17Å; S293-L377 PolarHBondContact O-N 3.03Å; S293-L377 VanDerWaalsContact O-N 3.11Å; I294-L377 CarbonylContact C-O 3.45Å; I294-L377 WeakPolarHBondContact CA-O 3.18Å; Q295-L377 PolarHBondContact N-O 3.34Å; I370-L377 HydrophobicContact CD1-CD2 4.16Å; I370-L377 HydrophobicContact CG1-CD2 4.41Å; V375-L377 PolarHBondContact O-N 3.18Å; L377-F397 HydrophobicContact CB-CD2 4.46Å; L377-F397 HydrophobicContact CB-CE2 4.22Å; L377-F397 HydrophobicContact CD1-CE2 4.43Å; L377-E400 HydrophobicContact CD1-CB 3.77Å; L377-E400 HydrophobicContact CD1-CG 4.03Å; L377-E400 HydrophobicContact CD2-CG 3.9Å; L377-F401 HydrophobicContact CD1-CE1 4.46Å; L377-F401 HydrophobicContact CD1-CE2 3.7Å; L377-F401 HydrophobicContact CD1-CZ 3.49Å; L377-F401 VanDerWaalsContact CD1-CZ 3.49Å
378	C	96.9	Very high	90.9	Very high	5 Å²	5	64 Å²	64	3%	0.034	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	139.6	161	-172.6	0	0	0	0	109.5	I370 L372 T380 F397	I370-C378 PolarHBondContact O-N 3.39Å; L372-C378 HydrophobicContact CD1-CB 3.73Å; L372-C378 HydrophobicContact CD2-CB 4.4Å; L372-C378 HydrophobicContact CG-CB 3.98Å; C378-T380 VanDerWaalsContact CB-O 3.26Å; C378-T380 WeakPolarHBondContact CB-O 3.36Å; C378-T380 PolarHBondContact O-N 3.41Å; C378-T380 PolarHBondContact SG-N 2.99Å; C378-T380 PolarHBondContact SG-O 3.35Å; C378-F397 WeakPolarHBondContact O-CD2 3.22Å
379	N	96.6	Very high	90.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	-71.7	-4.4	174.8	83.2	-30.6	0	0	0	113.3	I294 Q295 E297 N298 A301 R304 M305 F397	I294-N379 HydrophobicContact CG2-CB 3.91Å; Q295-N379 PolarHBondContact O-N 2.97Å; Q295-N379 PolarHBondContact O-OD1 3.07Å; E297-N379 PolarHBondContact N-OD1 3.18Å; N298-N379 PolarHBondContact N-OD1 3.13Å; N298-N379 PolarHBondContact O-ND2 3.28Å; A301-N379 PolarHBondContact O-ND2 2.95Å; R304-N379 WeakPolarHBondContact CD-O 3.43Å; R304-N379 PolarHBondContact NE-O 3.28Å; R304-N379 PolarHBondContact NH1-O 3.48Å; M305-N379 HydrophobicContact SD-CB 3.6Å; N379-F397 HydrophobicContact CB-CE2 4.25Å
380	T	94.4	Very high	90.1	Very high	15 Å²	15	62.8 Å²	62.8	9%	0.092	33%	0.332	C	S	.	.	S	Bend	trans	-128.1	170.6	168.9	60.4	0	0	0	0	110.5	N298 A301 C378	N298-T380 HydrophobicContact CB-CG2 3.57Å; A301-T380 HydrophobicContact CB-CG2 3.9Å; C378-T380 VanDerWaalsContact CB-O 3.26Å; C378-T380 WeakPolarHBondContact CB-O 3.36Å; C378-T380 PolarHBondContact O-N 3.41Å; C378-T380 PolarHBondContact SG-N 2.99Å; C378-T380 PolarHBondContact SG-O 3.35Å
381	A	91.8	Very high	89.9	Confident	9 Å²	9	63.1 Å²	63.1	7%	0.074	34%	0.335	C	S	.	.			trans	-66	146.4	169.3	0	0	0	0	0	110	C369 F385 T393	C369-A381 HydrophobicContact CB-CB 4.48Å; A381-F385 HydrophobicContact CB-CB 4Å; A381-T393 HydrophobicContact CB-CG2 4.14Å
382	K	89.6	Confident	89.6	Confident	48 Å²	48	60.2 Å²	60.2	21%	0.209	32%	0.321	C	S	.	.			trans	-50	150.9	173.9	-74.1	179.1	-79	-148.2	0	111.2	D368 C369 H371 L372 Q384 F385 I386	D368-K382 WeakPolarHBondContact O-CE 3.33Å; D368-K382 PolarHBondContact O-NZ 2.92Å; C369-K382 WeakPolarHBondContact O-CE 3.34Å; C369-K382 WeakPolarHBondContact O-CG 3.04Å; C369-K382 PolarHBondContact O-N 3.11Å; H371-K382 WeakPolarHBondContact O-CE 3.18Å; H371-K382 PolarHBondContact O-NZ 3.48Å; L372-K382 HydrophobicContact CD2-CD 4Å; L372-K382 HydrophobicContact CD2-CG 3.73Å; K382-Q384 PolarHBondContact O-N 3.2Å; K382-F385 HydrophobicContact CB-CD2 4.18Å; K382-F385 CarbonylContact O-C 3.55Å; K382-F385 WeakPolarHBondContact O-CA 3.14Å; K382-F385 PolarHBondContact O-N 3.07Å; K382-I386 PolarHBondContact O-N 2.93Å
383	P	84.2	Confident	89.6	Confident	103 Å²	103	58.5 Å²	58.5	67%	0.669	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-49.5	-35.5	-173.7	-31.1	36.2	0	0	0	115.4	F385 I386	P383-F385 PolarHBondContact O-N 3.49Å; P383-I386 VanDerWaalsContact O-CG2 3.23Å; P383-I386 WeakPolarHBondContact O-CG2 3.47Å; P383-I386 PolarHBondContact O-N 2.97Å
384	Q	86	Confident	89.6	Confident	123 Å²	123	49.8 Å²	49.8	58%	0.575	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-69.6	-15.5	177.3	66.6	-88.8	28	0	0	115	K382	K382-Q384 PolarHBondContact O-N 3.2Å
385	F	85.1	Confident	89.7	Confident	61 Å²	61	45 Å²	45	27%	0.268	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-116.6	4.2	179.3	-55.2	-59.7	0	0	0	112.5	C369 A381 K382 P383 R387 L388	C369-F385 HydrophobicContact CB-CB 4.31Å; C369-F385 HydrophobicContact CB-CD2 3.77Å; C369-F385 HydrophobicContact CB-CE2 4.39Å; C369-F385 HydrophobicContact CB-CG 4.17Å; C369-F385 VanDerWaalsContact SG-CD2 3.53Å; A381-F385 HydrophobicContact CB-CB 4Å; K382-F385 HydrophobicContact CB-CD2 4.18Å; K382-F385 CarbonylContact O-C 3.55Å; K382-F385 WeakPolarHBondContact O-CA 3.14Å; K382-F385 PolarHBondContact O-N 3.07Å; P383-F385 PolarHBondContact O-N 3.49Å; F385-R387 PolarHBondContact O-N 2.7Å; F385-L388 PolarHBondContact O-N 2.99Å; F385-L388 VanDerWaalsContact O-N 3.13Å
386	I	75.9	Confident	89.7	Confident	91 Å²	91	44.1 Å²	44.1	47%	0.467	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	135.3	-177.1	-156.1	167.2	0	0	0	109.9	K382 P383 L388	K382-I386 PolarHBondContact O-N 2.93Å; P383-I386 VanDerWaalsContact O-CG2 3.23Å; P383-I386 WeakPolarHBondContact O-CG2 3.47Å; P383-I386 PolarHBondContact O-N 2.97Å; I386-L388 VanDerWaalsContact C-N 3.28Å; I386-L388 PolarHBondContact O-N 3.35Å
387	R	73.9	Confident	89.6	Confident	211 Å²	211	40.5 Å²	40.5	80%	0.796	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	13.2	-175.2	-46.8	177.4	179.2	-164	-1.8	115.9	F385	F385-R387 PolarHBondContact O-N 2.7Å
388	L	82.6	Confident	89.6	Confident	111 Å²	111	40.4 Å²	40.4	58%	0.581	21%	0.208	S	C	*	.	S	Bend	trans	-108.6	121.2	170.8	-58.9	178.7	0	0	0	109.8	F385 I386 G390	F385-L388 PolarHBondContact O-N 2.99Å; F385-L388 VanDerWaalsContact O-N 3.13Å; I386-L388 VanDerWaalsContact C-N 3.28Å; I386-L388 PolarHBondContact O-N 3.35Å; L388-G390 PolarHBondContact O-N 3.31Å
389	A	86.3	Confident	89.5	Confident	41 Å²	41	43.8 Å²	43.8	34%	0.339	22%	0.223	S	C	.	.	S	Bend	trans	52.6	50	176.3	0	0	0	0	0	113.6	Y366 S391 C392 T393	Y366-A389 HydrophobicContact CD1-CB 4.24Å; Y366-A389 HydrophobicContact CE1-CB 3.66Å; A389-S391 VanDerWaalsContact C-N 3.28Å; A389-S391 PolarHBondContact O-N 3.43Å; A389-C392 HydrophobicContact CB-CB 4.09Å; A389-C392 PolarHBondContact O-N 3.41Å; A389-T393 PolarHBondContact O-N 3.25Å; A389-T393 PolarHBondContact O-OG1 3.21Å
390	G	88.3	Confident	89.5	Confident	13 Å²	13	45.8 Å²	45.8	13%	0.134	23%	0.232	C	C	.	.	H	α-helix	trans	-53.9	-41.8	-175.8	0	0	0	0	0	113.3	E331 L388 C392 T393 A394	E331-G390 WeakPolarHBondContact OE2-CA 3.32Å; E331-G390 PolarHBondContact OE2-N 3.38Å; L388-G390 PolarHBondContact O-N 3.31Å; G390-C392 PolarHBondContact O-N 3.46Å; G390-T393 PolarHBondContact O-OG1 3.3Å; G390-T393 VanDerWaalsContact O-OG1 3.05Å; G390-A394 WeakPolarHBondContact O-CB 3.43Å; G390-A394 PolarHBondContact O-N 2.8Å
391	S	89.3	Confident	89.7	Confident	8 Å²	8	45.2 Å²	45.2	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-39.4	177.3	-24.1	0	0	0	0	112.4	T329 T332 A389 A395	T329-S391 PolarHBondContact OG1-OG 3.16Å; T332-S391 VanDerWaalsContact OG1-CB 3.26Å; T332-S391 WeakPolarHBondContact OG1-CB 3.15Å; T332-S391 PolarHBondContact OG1-OG 2.75Å; A389-S391 VanDerWaalsContact C-N 3.28Å; A389-S391 PolarHBondContact O-N 3.43Å; S391-A395 WeakPolarHBondContact O-CB 3.27Å; S391-A395 PolarHBondContact O-N 2.95Å
392	C	91.8	Very high	89.9	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.014	23%	0.228	C	C	.	.	H	α-helix	trans	-73.4	-40.4	-179.1	-58.4	0	0	0	0	111.8	Y366 A389 G390 A395 A396	Y366-C392 HydrophobicContact CD1-CB 3.62Å; Y366-C392 HydrophobicContact CD2-CB 3.58Å; Y366-C392 HydrophobicContact CE1-CB 3.62Å; Y366-C392 HydrophobicContact CE2-CB 3.59Å; Y366-C392 HydrophobicContact CG-CB 3.6Å; A389-C392 HydrophobicContact CB-CB 4.09Å; A389-C392 PolarHBondContact O-N 3.41Å; G390-C392 PolarHBondContact O-N 3.46Å; C392-A395 PolarHBondContact O-N 2.87Å; C392-A396 WeakPolarHBondContact O-CB 3.24Å; C392-A396 PolarHBondContact O-N 3.47Å
393	T	93	Very high	90.1	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-69.6	-35.7	175.6	55	0	0	0	0	111.8	Y366 C369 A381 A389 G390 A396 F397	Y366-T393 HydrophobicContact CD1-CG2 4.21Å; C369-T393 HydrophobicContact CB-CG2 4.06Å; A381-T393 HydrophobicContact CB-CG2 4.14Å; A389-T393 PolarHBondContact O-N 3.25Å; A389-T393 PolarHBondContact O-OG1 3.21Å; G390-T393 PolarHBondContact O-OG1 3.3Å; G390-T393 VanDerWaalsContact O-OG1 3.05Å; T393-A396 PolarHBondContact O-N 3.08Å; T393-F397 PolarHBondContact O-N 3.22Å
394	A	93.9	Very high	90.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-44	171.7	0	0	0	0	0	112.1	L328 T329 G390 F397 L398	L328-A394 HydrophobicContact CD2-CB 3.71Å; L328-A394 HydrophobicContact CG-CB 4.31Å; T329-A394 HydrophobicContact CG2-CB 3.67Å; G390-A394 WeakPolarHBondContact O-CB 3.43Å; G390-A394 PolarHBondContact O-N 2.8Å; A394-F397 WeakPolarHBondContact O-CB 3.35Å; A394-F397 PolarHBondContact O-N 3.36Å; A394-L398 WeakPolarHBondContact O-CG 3.3Å; A394-L398 PolarHBondContact O-N 2.85Å
395	A	94.2	Very high	90.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-36.9	175.3	0	0	0	0	0	112.6	V337 L362 S391 C392 F397 L398 H399 W407	V337-A395 HydrophobicContact CB-CB 3.57Å; V337-A395 HydrophobicContact CG1-CB 3.5Å; V337-A395 VanDerWaalsContact CG1-CB 3.5Å; V337-A395 HydrophobicContact CG2-CB 3.59Å; L362-A395 HydrophobicContact CD1-CB 4.27Å; S391-A395 WeakPolarHBondContact O-CB 3.27Å; S391-A395 PolarHBondContact O-N 2.95Å; C392-A395 PolarHBondContact O-N 2.87Å; A395-F397 VanDerWaalsContact C-N 3.27Å; A395-F397 PolarHBondContact O-N 3.06Å; A395-L398 PolarHBondContact O-N 2.98Å; A395-H399 WeakPolarHBondContact O-CB 3.39Å; A395-H399 PolarHBondContact O-N 3.15Å; A395-W407 HydrophobicContact CB-CH2 4.42Å; A395-W407 WeakPolarHBondContact O-CH2 3.24Å
396	A	94.3	Very high	91.2	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-40.2	172.2	0	0	0	0	0	111.4	L362 A367 I370 C392 T393 H399	L362-A396 HydrophobicContact CD1-CB 4.45Å; A367-A396 HydrophobicContact CB-CB 4.36Å; I370-A396 HydrophobicContact CD1-CB 4.24Å; C392-A396 WeakPolarHBondContact O-CB 3.24Å; C392-A396 PolarHBondContact O-N 3.47Å; T393-A396 PolarHBondContact O-N 3.08Å; A396-H399 PolarHBondContact O-N 3.18Å
397	F	96.4	Very high	92.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-48.2	173.7	178.3	-81.4	0	0	0	111.3	I294 R304 M305 A308 I370 L377 C378 N379 T393 A394 A395 H399 E400 F401	I294-F397 HydrophobicContact CD1-CZ 3.88Å; I294-F397 HydrophobicContact CG1-CE2 4.29Å; I294-F397 HydrophobicContact CG1-CZ 4.12Å; I294-F397 HydrophobicContact CG2-CE2 3.84Å; I294-F397 HydrophobicContact CG2-CZ 4Å; R304-F397 HydrophobicContact CB-CD1 3.66Å; R304-F397 HydrophobicContact CB-CE1 3.84Å; R304-F397 HydrophobicContact CG-CD1 3.68Å; R304-F397 HydrophobicContact CG-CE1 3.62Å; R304-F397 HydrophobicContact CG-CG 4.31Å; R304-F397 HydrophobicContact CG-CZ 4.2Å; R304-F397 WeakPolarHBondContact O-CE1 3.45Å; M305-F397 HydrophobicContact SD-CZ 3.91Å; A308-F397 HydrophobicContact CB-CE1 4.17Å; I370-F397 HydrophobicContact CD1-CB 3.71Å; I370-F397 HydrophobicContact CD1-CD2 4.37Å; I370-F397 VanDerWaalsContact CD1-N 3.31Å; L377-F397 HydrophobicContact CB-CD2 4.46Å; L377-F397 HydrophobicContact CB-CE2 4.22Å; L377-F397 HydrophobicContact CD1-CE2 4.43Å; C378-F397 WeakPolarHBondContact O-CD2 3.22Å; N379-F397 HydrophobicContact CB-CE2 4.25Å; T393-F397 PolarHBondContact O-N 3.22Å; A394-F397 WeakPolarHBondContact O-CB 3.35Å; A394-F397 PolarHBondContact O-N 3.36Å; A395-F397 VanDerWaalsContact C-N 3.27Å; A395-F397 PolarHBondContact O-N 3.06Å; F397-H399 VanDerWaalsContact C-N 3.3Å; F397-H399 PolarHBondContact O-N 2.74Å; F397-E400 WeakPolarHBondContact O-CB 3.42Å; F397-E400 PolarHBondContact O-N 3.01Å; F397-F401 HydrophobicContact CD1-CD2 4.29Å; F397-F401 AromaticContact CD1-CE2 3.84Å; F397-F401 HydrophobicContact CD1-CE2 3.84Å; F397-F401 HydrophobicContact CD2-CE2 4.45Å; F397-F401 HydrophobicContact CE1-CD2 4.1Å; F397-F401 AromaticContact CE1-CE2 3.44Å; F397-F401 HydrophobicContact CE1-CE2 3.44Å; F397-F401 VanDerWaalsContact CE1-CE2 3.44Å; F397-F401 HydrophobicContact CE1-CZ 4.24Å; F397-F401 HydrophobicContact CE2-CE2 4.11Å; F397-F401 HydrophobicContact CE2-CZ 4.49Å; F397-F401 HydrophobicContact CG-CE2 4.33Å; F397-F401 AromaticContact CZ-CE2 3.6Å; F397-F401 HydrophobicContact CZ-CE2 3.6Å; F397-F401 HydrophobicContact CZ-CZ 4.01Å; F397-F401 WeakPolarHBondContact O-CD2 3.48Å; F397-F401 WeakPolarHBondContact O-CE2 3.12Å
398	L	97.2	Very high	93.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-36.8	179.9	-68	173.3	0	0	0	113	R304 L307 L311 L328 A394 A395 E400 F401 W407 H409	R304-L398 HydrophobicContact CB-CD2 4.03Å; R304-L398 HydrophobicContact CB-CG 4.49Å; L307-L398 HydrophobicContact CB-CD2 3.51Å; L307-L398 HydrophobicContact CD1-CD1 4.21Å; L307-L398 HydrophobicContact CD1-CD2 4.03Å; L307-L398 HydrophobicContact CG-CD2 4.44Å; L311-L398 HydrophobicContact CD1-CB 3.93Å; L311-L398 HydrophobicContact CD1-CD2 3.87Å; L311-L398 HydrophobicContact CD1-CG 4.43Å; L328-L398 HydrophobicContact CD2-CD1 3.69Å; A394-L398 WeakPolarHBondContact O-CG 3.3Å; A394-L398 PolarHBondContact O-N 2.85Å; A395-L398 PolarHBondContact O-N 2.98Å; L398-E400 PolarHBondContact O-N 3.22Å; L398-F401 PolarHBondContact O-N 3.02Å; L398-W407 HydrophobicContact CB-CH2 3.98Å; L398-W407 HydrophobicContact CB-CZ2 3.65Å; L398-W407 HydrophobicContact CD1-CZ2 4.48Å; L398-H409 WeakPolarHBondContact CD1-ND1 3.26Å
399	H	95.4	Very high	93.8	Very high	75 Å²	75	26 Å²	26	35%	0.347	14%	0.138	S	C	.	.	H	α-helix	trans	-61.4	-24.2	178.9	-172.8	-110.7	0	0	0	112.9	L362 A395 A396 F397 F401 W407	L362-H399 HydrophobicContact CD1-CB 4.31Å; L362-H399 HydrophobicContact CD2-CB 4.37Å; A395-H399 WeakPolarHBondContact O-CB 3.39Å; A395-H399 PolarHBondContact O-N 3.15Å; A396-H399 PolarHBondContact O-N 3.18Å; F397-H399 VanDerWaalsContact C-N 3.3Å; F397-H399 PolarHBondContact O-N 2.74Å; H399-F401 PolarHBondContact O-N 2.99Å; H399-W407 HydrophobicContact CB-CE3 4.35Å; H399-W407 HydrophobicContact CB-CH2 4Å; H399-W407 HydrophobicContact CB-CZ3 3.68Å; H399-W407 AromaticContact CD2-CE3 3.59Å; H399-W407 AromaticContact CD2-CZ3 3.71Å
400	E	96.9	Very high	94.2	Very high	43 Å²	43	24.2 Å²	24.2	20%	0.201	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.5	175.3	-65.9	-60.2	141.2	0	0	113.8	K292 H371 L377 F397 L398	K292-E400 PolarHBondContact NZ-O 3.16Å; K292-E400 IonicContact NZ-OE2 3.46Å; K292-E400 PolarHBondContact NZ-OE2 2.88Å; H371-E400 IonicContact CE1-OE1 2.8Å; H371-E400 IonicContact NE2-OE1 2.65Å; H371-E400 IonicContact NE2-OE2 3.4Å; L377-E400 HydrophobicContact CD1-CB 3.77Å; L377-E400 HydrophobicContact CD1-CG 4.03Å; L377-E400 HydrophobicContact CD2-CG 3.9Å; F397-E400 WeakPolarHBondContact O-CB 3.42Å; F397-E400 PolarHBondContact O-N 3.01Å; L398-E400 PolarHBondContact O-N 3.22Å
401	F	97.8	Very high	94.5	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	11.3	-174.2	-60.4	-79.6	0	0	0	113.8	A288 N290 K292 I294 A308 L311 C312 L377 F397 L398 H399	A288-F401 HydrophobicContact CB-CD1 4.05Å; A288-F401 HydrophobicContact CB-CE1 3.49Å; A288-F401 VanDerWaalsContact CB-CE1 3.49Å; A288-F401 HydrophobicContact CB-CZ 4.4Å; N290-F401 WeakPolarHBondContact ND2-CD1 3.23Å; K292-F401 HydrophobicContact CB-CE1 4.09Å; K292-F401 HydrophobicContact CD-CE1 4.33Å; I294-F401 HydrophobicContact CD1-CE1 4.19Å; I294-F401 HydrophobicContact CD1-CZ 3.7Å; I294-F401 HydrophobicContact CG1-CZ 3.94Å; A308-F401 HydrophobicContact CB-CB 4.17Å; A308-F401 HydrophobicContact CB-CD1 3.69Å; A308-F401 HydrophobicContact CB-CD2 3.51Å; A308-F401 HydrophobicContact CB-CE1 3.9Å; A308-F401 HydrophobicContact CB-CE2 3.74Å; A308-F401 HydrophobicContact CB-CG 3.5Å; A308-F401 VanDerWaalsContact CB-CG 3.5Å; A308-F401 HydrophobicContact CB-CZ 3.92Å; A308-F401 WeakPolarHBondContact O-CB 3.18Å; L311-F401 CarbonylContact C-O 3.35Å; L311-F401 VanDerWaalsContact C-O 3.28Å; L311-F401 HydrophobicContact CB-CB 4.26Å; L311-F401 WeakPolarHBondContact CB-O 3.46Å; C312-F401 PolarHBondContact N-O 2.9Å; L377-F401 HydrophobicContact CD1-CE1 4.46Å; L377-F401 HydrophobicContact CD1-CE2 3.7Å; L377-F401 HydrophobicContact CD1-CZ 3.49Å; L377-F401 VanDerWaalsContact CD1-CZ 3.49Å; F397-F401 HydrophobicContact CD1-CD2 4.29Å; F397-F401 AromaticContact CD1-CE2 3.84Å; F397-F401 HydrophobicContact CD1-CE2 3.84Å; F397-F401 HydrophobicContact CD2-CE2 4.45Å; F397-F401 HydrophobicContact CE1-CD2 4.1Å; F397-F401 AromaticContact CE1-CE2 3.44Å; F397-F401 HydrophobicContact CE1-CE2 3.44Å; F397-F401 VanDerWaalsContact CE1-CE2 3.44Å; F397-F401 HydrophobicContact CE1-CZ 4.24Å; F397-F401 HydrophobicContact CE2-CE2 4.11Å; F397-F401 HydrophobicContact CE2-CZ 4.49Å; F397-F401 HydrophobicContact CG-CE2 4.33Å; F397-F401 AromaticContact CZ-CE2 3.6Å; F397-F401 HydrophobicContact CZ-CE2 3.6Å; F397-F401 HydrophobicContact CZ-CZ 4.01Å; F397-F401 WeakPolarHBondContact O-CD2 3.48Å; F397-F401 WeakPolarHBondContact O-CE2 3.12Å; L398-F401 PolarHBondContact O-N 3.02Å; H399-F401 PolarHBondContact O-N 2.99Å
402	T	95.4	Very high	94.8	Very high	10 Å²	10	23.4 Å²	23.4	6%	0.061	11%	0.114	C	C	.	.			trans	-136.5	138.6	169.6	-176.9	0	0	0	0	111.5	D315 C404 W407	D315-T402 PolarHBondContact OD1-OG1 2.9Å; D315-T402 WeakPolarHBondContact OD2-CA 3.39Å; T402-C404 WeakPolarHBondContact OG1-CB 3.5Å; T402-C404 PolarHBondContact OG1-N 3.36Å; T402-C404 VanDerWaalsContact OG1-N 3.16Å; T402-W407 HydrophobicContact CG2-CB 4.07Å; T402-W407 HydrophobicContact CG2-CD2 3.92Å; T402-W407 HydrophobicContact CG2-CG 3.68Å
403	N	94.2	Very high	94.8	Very high	144 Å²	144	24.3 Å²	24.3	77%	0.77	12%	0.122	S	C	*	.			trans	-98.5	-2.7	174.1	-59.1	-74.1	0	0	0	111.4	D315 K405	D315-N403 PolarHBondContact OD1-N 3.16Å; D315-N403 WeakPolarHBondContact OD2-CB 3.27Å; D315-N403 PolarHBondContact OD2-N 2.88Å; D315-N403 PolarHBondContact OD2-ND2 3.38Å; N403-K405 PolarHBondContact O-N 3.35Å; N403-K405 VanDerWaalsContact O-N 3.14Å
404	C	93.7	Very high	94.6	Very high	14 Å²	14	24.5 Å²	24.5	10%	0.095	13%	0.125	C	C	.	.			trans	-67.2	113.8	179.1	-173.3	0	0	0	0	110.4	P319 V322 T402 S406 W407	P319-C404 HydrophobicContact CG-CB 4.46Å; V322-C404 HydrophobicContact CB-CB 4.25Å; V322-C404 HydrophobicContact CG2-CB 3.53Å; T402-C404 WeakPolarHBondContact OG1-CB 3.5Å; T402-C404 PolarHBondContact OG1-N 3.36Å; T402-C404 VanDerWaalsContact OG1-N 3.16Å; C404-S406 PolarHBondContact O-N 2.86Å; C404-W407 PolarHBondContact O-N 3.06Å
405	K	91.3	Very high	94.4	Very high	184 Å²	184	25 Å²	25	80%	0.8	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-12	177.5	-63.1	-174.5	179.7	-179.6	0	114	V339 N403	V339-K405 VanDerWaalsContact CG1-O 3.27Å; V339-K405 WeakPolarHBondContact CG1-O 3.38Å; N403-K405 PolarHBondContact O-N 3.35Å; N403-K405 VanDerWaalsContact O-N 3.14Å
406	S	93.7	Very high	94.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.014	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	64.9	178.5	-167.9	0	0	0	0	110.4	A320 H321 V322 L342 C404	A320-S406 WeakPolarHBondContact O-CB 3.41Å; H321-S406 WeakPolarHBondContact CA-O 3.18Å; H321-S406 PolarHBondContact CE1-OG 3.03Å; H321-S406 WeakPolarHBondContact ND1-CB 2.99Å; H321-S406 PolarHBondContact ND1-OG 3.28Å; V322-S406 PolarHBondContact N-O 3.31Å; L342-S406 WeakPolarHBondContact CD1-O 3.23Å; L342-S406 WeakPolarHBondContact CG-OG 3.34Å; C404-S406 PolarHBondContact O-N 2.86Å
407	W	95.5	Very high	93.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	145.3	178.4	171	70.4	0	0	0	112.8	V322 D324 V339 L362 A395 L398 H399 T402 C404 H409	V322-W407 CarbonylContact O-C 3.29Å; V322-W407 VanDerWaalsContact O-CA 3.29Å; V322-W407 WeakPolarHBondContact O-CA 3.17Å; D324-W407 PolarHBondContact OD2-NE1 3.44Å; V339-W407 WeakPolarHBondContact CB-O 3.25Å; V339-W407 HydrophobicContact CG2-CE3 4.02Å; V339-W407 PolarHBondContact N-O 3.22Å; V339-W407 VanDerWaalsContact N-O 3.11Å; L362-W407 HydrophobicContact CD1-CZ3 4.34Å; L362-W407 HydrophobicContact CD2-CE3 4.32Å; L362-W407 HydrophobicContact CD2-CZ3 3.77Å; A395-W407 HydrophobicContact CB-CH2 4.42Å; A395-W407 WeakPolarHBondContact O-CH2 3.24Å; L398-W407 HydrophobicContact CB-CH2 3.98Å; L398-W407 HydrophobicContact CB-CZ2 3.65Å; L398-W407 HydrophobicContact CD1-CZ2 4.48Å; H399-W407 HydrophobicContact CB-CE3 4.35Å; H399-W407 HydrophobicContact CB-CH2 4Å; H399-W407 HydrophobicContact CB-CZ3 3.68Å; H399-W407 AromaticContact CD2-CE3 3.59Å; H399-W407 AromaticContact CD2-CZ3 3.71Å; T402-W407 HydrophobicContact CG2-CB 4.07Å; T402-W407 HydrophobicContact CG2-CD2 3.92Å; T402-W407 HydrophobicContact CG2-CG 3.68Å; C404-W407 PolarHBondContact O-N 3.06Å; W407-H409 HydrophobicContact CH2-CB 3.8Å; W407-H409 HydrophobicContact CZ2-CB 3.49Å; W407-H409 VanDerWaalsContact CZ2-CB 3.49Å
408	M	95.4	Very high	93.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	125.6	174.1	169	176.3	-65.6	0	0	110.1	V322 I323 D324 V338 L342 M346 M410	V322-M408 PolarHBondContact O-N 3.27Å; I323-M408 CarbonylContact C-O 3.59Å; I323-M408 WeakPolarHBondContact CA-O 3.23Å; I323-M408 HydrophobicContact CG1-CB 4.42Å; I323-M408 HydrophobicContact CG2-CG 4.47Å; D324-M408 PolarHBondContact N-O 3.04Å; V338-M408 HydrophobicContact CB-CE 4.15Å; V338-M408 HydrophobicContact CG1-CB 4.42Å; V338-M408 HydrophobicContact CG1-CE 3.47Å; V338-M408 VanDerWaalsContact CG1-CE 3.47Å; V338-M408 HydrophobicContact CG2-CE 3.52Å; V338-M408 HydrophobicContact CG2-CG 3.97Å; V338-M408 HydrophobicContact CG2-SD 4.31Å; L342-M408 HydrophobicContact CB-CB 4.36Å; L342-M408 HydrophobicContact CB-CE 3.53Å; L342-M408 HydrophobicContact CD1-CB 3.79Å; M346-M408 HydrophobicContact CB-CE 3.56Å; M346-M408 HydrophobicContact CB-SD 3.99Å; M346-M408 HydrophobicContact CE-CE 4.46Å; M346-M408 HydrophobicContact CE-SD 3.45Å; M346-M408 WeakPolarHBondContact CE-SD 3.28Å; M346-M408 HydrophobicContact CG-CE 3.97Å; M346-M408 HydrophobicContact CG-SD 3.75Å; M346-M408 HydrophobicContact SD-SD 4.44Å; M408-M410 HydrophobicContact CG-CG 4.03Å; M408-M410 HydrophobicContact SD-CG 4.09Å; M408-M410 HydrophobicContact SD-SD 4.37Å
409	H	95.9	Very high	91.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.9	166.8	172	60.6	0	0	0	110.5	D324 L328 A336 V337 L398 W407	D324-H409 IonicContact OD1-CE1 2.94Å; D324-H409 IonicContact OD1-CG 3.85Å; D324-H409 IonicContact OD1-ND1 3.14Å; D324-H409 PolarHBondContact OD1-ND1 3.14Å; D324-H409 WeakPolarHBondContact OD2-CA 3.29Å; D324-H409 IonicContact OD2-ND1 2.99Å; L328-H409 VanDerWaalsContact CD2-CE1 3.46Å; L328-H409 WeakPolarHBondContact CD2-CE1 3.39Å; L328-H409 WeakPolarHBondContact CD2-NE2 3.21Å; A336-H409 CarbonylContact C-O 3.6Å; A336-H409 VanDerWaalsContact CA-O 3.29Å; A336-H409 WeakPolarHBondContact CA-O 3.46Å; V337-H409 HydrophobicContact CB-CB 4.45Å; V337-H409 PolarHBondContact N-O 2.85Å; V337-H409 PolarHBondContact O-N 3.15Å; L398-H409 WeakPolarHBondContact CD1-ND1 3.26Å; W407-H409 HydrophobicContact CH2-CB 3.8Å; W407-H409 HydrophobicContact CZ2-CB 3.49Å; W407-H409 VanDerWaalsContact CZ2-CB 3.49Å
410	M	94.7	Very high	90.1	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	102.9	173.6	-56.9	-173.4	78.2	0	0	110.1	I323 D324 V325 A326 M346 V357 M408 I412 P433 V437	I323-M410 HydrophobicContact CG2-CG 4.32Å; I323-M410 HydrophobicContact CG2-SD 4.05Å; D324-M410 PolarHBondContact O-N 3.46Å; V325-M410 HydrophobicContact CG1-CB 4.41Å; V325-M410 HydrophobicContact CG2-CB 4.34Å; V325-M410 HydrophobicContact CG2-SD 4.21Å; A326-M410 PolarHBondContact N-O 2.88Å; M346-M410 HydrophobicContact CE-CE 4.29Å; M346-M410 HydrophobicContact CE-SD 3.75Å; M346-M410 HydrophobicContact CG-CE 4.34Å; M346-M410 HydrophobicContact SD-CE 4.1Å; M346-M410 HydrophobicContact SD-SD 4.34Å; V357-M410 HydrophobicContact CG1-CE 3.74Å; M408-M410 HydrophobicContact CG-CG 4.03Å; M408-M410 HydrophobicContact SD-CG 4.09Å; M408-M410 HydrophobicContact SD-SD 4.37Å; M410-I412 HydrophobicContact CB-CG2 4.3Å; M410-I412 PolarHBondContact O-N 3.47Å; M410-P433 HydrophobicContact CE-CB 4.27Å; M410-P433 HydrophobicContact CE-CG 3.53Å; M410-P433 HydrophobicContact SD-CG 4.41Å; M410-V437 HydrophobicContact CE-CG2 4.36Å; M410-V437 HydrophobicContact SD-CG2 3.9Å
411	D	94.6	Very high	88.1	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	110.9	169.9	-169.7	-9.3	0	0	0	110	A326 L328 T329 T332 A335 A413	A326-D411 WeakPolarHBondContact O-CA 3.45Å; L328-D411 PolarHBondContact N-OD1 3.32Å; T329-D411 PolarHBondContact N-OD2 3.32Å; T329-D411 PolarHBondContact OG1-OD2 3.15Å; T332-D411 WeakPolarHBondContact CB-OD2 3.33Å; T332-D411 HydrophobicContact CG2-CB 4.12Å; T332-D411 PolarHBondContact OG1-OD2 3.36Å; A335-D411 HydrophobicContact CB-CB 4.45Å; A335-D411 PolarHBondContact N-O 2.94Å; A335-D411 VanDerWaalsContact N-O 3.16Å; A335-D411 PolarHBondContact O-N 3.21Å; D411-A413 WeakPolarHBondContact OD1-CB 2.99Å; D411-A413 PolarHBondContact OD1-N 3.02Å; D411-A413 VanDerWaalsContact OD1-N 3.11Å
412	I	94.6	Very high	86	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.015	27%	0.266	C	S	.	.			trans	-108	4.9	-173.5	65.7	158.6	0	0	0	112.7	V325 A326 T327 M410 G414 V415 S416 P433	V325-I412 HydrophobicContact CG1-CD1 3.8Å; V325-I412 HydrophobicContact CG1-CG1 4.1Å; V325-I412 HydrophobicContact CG1-CG2 3.79Å; A326-I412 WeakPolarHBondContact O-CG1 3.41Å; A326-I412 PolarHBondContact O-N 3.49Å; T327-I412 HydrophobicContact CG2-CD1 4.29Å; T327-I412 HydrophobicContact CG2-CG1 3.99Å; M410-I412 HydrophobicContact CB-CG2 4.3Å; M410-I412 PolarHBondContact O-N 3.47Å; I412-G414 PolarHBondContact O-N 2.99Å; I412-G414 VanDerWaalsContact O-N 3.1Å; I412-V415 HydrophobicContact CB-CG2 4.19Å; I412-V415 WeakPolarHBondContact O-CG2 3.35Å; I412-V415 PolarHBondContact O-N 3.46Å; I412-S416 PolarHBondContact O-N 3.01Å; I412-S416 PolarHBondContact O-OG 3.19Å; I412-P433 VanDerWaalsContact CG2-CD 3.48Å; I412-P433 HydrophobicContact CG2-CG 3.97Å
413	A	92	Very high	84	Confident	21 Å²	21	49 Å²	49	17%	0.174	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-40	-178.3	0	0	0	0	0	112.8	T329 D411 V415	T329-A413 WeakPolarHBondContact O-CB 3.19Å; D411-A413 WeakPolarHBondContact OD1-CB 2.99Å; D411-A413 PolarHBondContact OD1-N 3.02Å; D411-A413 VanDerWaalsContact OD1-N 3.11Å; A413-V415 PolarHBondContact O-N 3.3Å
414	G	89.3	Confident	82.1	Confident	9 Å²	9	45.9 Å²	45.9	9%	0.093	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.4	179.5	0	0	0	0	0	116.5	T332 I412	T332-G414 WeakPolarHBondContact O-CA 3.28Å; T332-G414 PolarHBondContact O-N 2.67Å; T332-G414 VanDerWaalsContact O-N 3.12Å; I412-G414 PolarHBondContact O-N 2.99Å; I412-G414 VanDerWaalsContact O-N 3.1Å
415	V	90.3	Very high	80.6	Confident	12 Å²	12	46.6 Å²	46.6	7%	0.073	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-5.9	-173	-67.9	0	0	0	0	115.4	I334 I412 A413 A417 T430 R432	I334-V415 HydrophobicContact CD1-CB 3.92Å; I334-V415 HydrophobicContact CD1-CG1 3.4Å; I334-V415 VanDerWaalsContact CD1-CG1 3.4Å; I334-V415 HydrophobicContact CD1-CG2 3.62Å; I334-V415 HydrophobicContact CG1-CB 3.78Å; I334-V415 HydrophobicContact CG1-CG1 3.1Å; I334-V415 HydrophobicContact CG1-CG2 3.45Å; I334-V415 VanDerWaalsContact CG1-CG2 3.45Å; I412-V415 HydrophobicContact CB-CG2 4.19Å; I412-V415 WeakPolarHBondContact O-CG2 3.35Å; I412-V415 PolarHBondContact O-N 3.46Å; A413-V415 PolarHBondContact O-N 3.3Å; V415-A417 PolarHBondContact O-N 2.74Å; V415-T430 WeakPolarHBondContact O-CB 3.42Å; V415-T430 WeakPolarHBondContact O-CG2 3.42Å; V415-T430 PolarHBondContact O-OG1 3.49Å; V415-R432 HydrophobicContact CB-CB 4.44Å; V415-R432 HydrophobicContact CG2-CB 4.1Å
416	S	90	Very high	79.5	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.014	26%	0.26	C	S	.	.	S	Bend	trans	-55.1	-37.4	173.5	-65.4	0	0	0	0	112	T327 I412 M429 T430	T327-S416 WeakPolarHBondContact CG2-OG 3.4Å; I412-S416 PolarHBondContact O-N 3.01Å; I412-S416 PolarHBondContact O-OG 3.19Å; S416-M429 CarbonylContact O-C 3.59Å; S416-M429 WeakPolarHBondContact O-CA 3.18Å; S416-T430 PolarHBondContact O-N 3.5Å; S416-T430 PolarHBondContact O-OG1 3.43Å
417	A	87.9	Confident	78.8	Confident	18 Å²	18	44.8 Å²	44.8	15%	0.149	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-119.2	143.2	175.7	0	0	0	0	0	112.7	Y238 V415 K419 A428 M429	Y238-A417 HydrophobicContact CD1-CB 4.48Å; Y238-A417 HydrophobicContact CE1-CB 4.01Å; V415-A417 PolarHBondContact O-N 2.74Å; A417-K419 PolarHBondContact O-N 3.11Å; A417-A428 CarbonylContact C-O 3.58Å; A417-A428 WeakPolarHBondContact CA-O 3.05Å; A417-M429 HydrophobicContact CB-SD 4.08Å
418	S	81.6	Confident	78.2	Confident	52 Å²	52	46.9 Å²	46.9	36%	0.364	28%	0.284	S	S	.	.			trans	-74.9	120.2	173	-170.4	0	0	0	0	110.2	G420 A428	S418-G420 PolarHBondContact O-N 3.05Å; S418-G420 PolarHBondContact OG-O 3.38Å; S418-A428 PolarHBondContact N-O 3.49Å
419	K	69.4	Low	78	Confident	169 Å²	169	46.9 Å²	46.9	74%	0.735	28%	0.284	S	S	*	.			trans	-90.3	92.4	174.2	-63.6	-176.4	-179	-179.4	0	109.6	A417	A417-K419 PolarHBondContact O-N 3.11Å
420	G	57.9	Low	77.7	Confident	59 Å²	59	47.3 Å²	47.3	61%	0.608	29%	0.286	S	S	*	.	S	Bend	trans	85.8	168.1	175.3	0	0	0	0	0	115.6	S418	S418-G420 PolarHBondContact O-N 3.05Å; S418-G420 PolarHBondContact OG-O 3.38Å
421	G	54.9	Low	77.6	Confident	69 Å²	69	47.2 Å²	47.2	71%	0.711	29%	0.286	S	S	*	.	S	Bend	trans	85.5	156.6	-169.5	0	0	0	0	0	112.5	P423	G421-P423 VanDerWaalsContact O-CD 3.3Å; G421-P423 WeakPolarHBondContact O-CD 3.48Å; G421-P423 VanDerWaalsContact O-N 3.09Å
422	K	52.7	Low	77.6	Confident	202 Å²	202	50.4 Å²	50.4	88%	0.878	30%	0.298	S	S	*	.			trans	-58.4	118	163.7	-76.8	-174.3	178.6	-177.1	0	105.5	L424	K422-L424 PolarHBondContact O-N 2.87Å
423	P	53.8	Low	77.6	Confident	64 Å²	64	50.3 Å²	50.3	42%	0.416	30%	0.298	S	S	.	.			trans	-54.2	135	175.1	23.3	-31.2	0	0	0	106	G421 Y425	G421-P423 VanDerWaalsContact O-CD 3.3Å; G421-P423 WeakPolarHBondContact O-CD 3.48Å; G421-P423 VanDerWaalsContact O-N 3.09Å; P423-Y425 HydrophobicContact CB-CD2 4.35Å; P423-Y425 VanDerWaalsContact CB-O 3.23Å; P423-Y425 WeakPolarHBondContact CB-O 3.47Å; P423-Y425 VanDerWaalsContact CG-O 3.23Å; P423-Y425 WeakPolarHBondContact CG-O 3.44Å; P423-Y425 PolarHBondContact O-N 3.01Å
424	L	54.4	Low	77.8	Confident	79 Å²	79	49.3 Å²	49.3	41%	0.414	29%	0.289	S	S	.	.	S	Bend	trans	-63.9	13.4	172.8	-68.7	172	0	0	0	111.6	K422	K422-L424 PolarHBondContact O-N 2.87Å
425	Y	63.4	Low	78.1	Confident	29 Å²	29	49.1 Å²	49.1	11%	0.114	29%	0.286	C	S	.	.	S	Bend	trans	-157.7	159.7	-148.8	-38.6	-61.7	0	0	0	109.1	R97 R136 P423 T427	R97-Y425 HydrophobicContact CB-CD1 4.37Å; R97-Y425 HydrophobicContact CB-CE1 3.89Å; R97-Y425 HydrophobicContact CG-CE1 4.29Å; R97-Y425 WeakPolarHBondContact O-CD1 3.33Å; R136-Y425 VanDerWaalsContact NH2-CD1 3.28Å; P423-Y425 HydrophobicContact CB-CD2 4.35Å; P423-Y425 VanDerWaalsContact CB-O 3.23Å; P423-Y425 WeakPolarHBondContact CB-O 3.47Å; P423-Y425 VanDerWaalsContact CG-O 3.23Å; P423-Y425 WeakPolarHBondContact CG-O 3.44Å; P423-Y425 PolarHBondContact O-N 3.01Å; Y425-T427 PolarHBondContact O-N 3.32Å
426	N	68.3	Low	78.4	Confident	125 Å²	125	48.5 Å²	48.5	67%	0.668	28%	0.282	S	S	*	.	S	Bend	trans	-80	4.4	172.6	-93.3	38	0	0	0	115	F99	F99-N426 HydrophobicContact CE2-CB 4.32Å; F99-N426 WeakPolarHBondContact CE2-OD1 3.42Å; F99-N426 HydrophobicContact CZ-CB 3.94Å; F99-N426 VanDerWaalsContact CZ-ND2 3.26Å; F99-N426 WeakPolarHBondContact CZ-ND2 3.45Å; F99-N426 VanDerWaalsContact CZ-OD1 3.24Å; F99-N426 WeakPolarHBondContact CZ-OD1 3.3Å
427	T	77.4	Confident	78.7	Confident	23 Å²	23	48.5 Å²	48.5	14%	0.141	28%	0.282	C	S	.	.	S	Bend	trans	-140.2	150.4	-177.1	177.2	0	0	0	0	110.4	R136 D140 Y425 M429	R136-T427 HydrophobicContact CB-CG2 4.49Å; D140-T427 WeakPolarHBondContact CB-OG1 3.21Å; D140-T427 PolarHBondContact OD1-OG1 2.93Å; D140-T427 WeakPolarHBondContact OD2-CB 3.26Å; D140-T427 PolarHBondContact OD2-OG1 3.27Å; Y425-T427 PolarHBondContact O-N 3.32Å; T427-M429 VanDerWaalsContact C-N 3.27Å; T427-M429 HydrophobicContact CG2-CB 4.45Å; T427-M429 PolarHBondContact OG1-N 2.98Å; T427-M429 VanDerWaalsContact OG1-N 3.1Å
428	A	84.1	Confident	79.2	Confident	44 Å²	44	47.6 Å²	47.6	36%	0.364	28%	0.275	S	S	.	.	S	Bend	trans	-71.9	-21.6	170.5	0	0	0	0	0	112.2	A417 S418	A417-A428 CarbonylContact C-O 3.58Å; A417-A428 WeakPolarHBondContact CA-O 3.05Å; S418-A428 PolarHBondContact N-O 3.49Å
429	M	90.3	Very high	79.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-69	139.2	-177.5	-57.4	-49.8	148.3	0	0	111.6	R136 D140 Y238 S416 A417 T427	R136-M429 HydrophobicContact CB-CB 4.38Å; R136-M429 VanDerWaalsContact CZ-O 3.3Å; R136-M429 PolarHBondContact NE-O 3.26Å; R136-M429 PolarHBondContact NH2-O 3.4Å; D140-M429 HydrophobicContact CB-CB 4.35Å; D140-M429 HydrophobicContact CB-CG 3.65Å; Y238-M429 HydrophobicContact CD1-CE 3.38Å; Y238-M429 HydrophobicContact CD1-SD 3.6Å; Y238-M429 VanDerWaalsContact CD1-SD 3.6Å; Y238-M429 HydrophobicContact CE1-CE 4.16Å; Y238-M429 HydrophobicContact CE1-SD 4.47Å; Y238-M429 HydrophobicContact CG-CE 4.23Å; Y238-M429 HydrophobicContact CG-SD 3.98Å; S416-M429 CarbonylContact O-C 3.59Å; S416-M429 WeakPolarHBondContact O-CA 3.18Å; A417-M429 HydrophobicContact CB-SD 4.08Å; T427-M429 VanDerWaalsContact C-N 3.27Å; T427-M429 HydrophobicContact CG2-CB 4.45Å; T427-M429 PolarHBondContact OG1-N 2.98Å; T427-M429 VanDerWaalsContact OG1-N 3.1Å
430	T	90.4	Very high	81.1	Confident	9 Å²	9	38.1 Å²	38.1	6%	0.055	23%	0.229	C	C	.	.			trans	-103.6	-24.4	-172.6	76	0	0	0	0	113.6	Q132 R136 V415 S416 R432	Q132-T430 PolarHBondContact NE2-O 3.35Å; R136-T430 WeakPolarHBondContact CD-O 3.34Å; V415-T430 WeakPolarHBondContact O-CB 3.42Å; V415-T430 WeakPolarHBondContact O-CG2 3.42Å; V415-T430 PolarHBondContact O-OG1 3.49Å; S416-T430 PolarHBondContact O-N 3.5Å; S416-T430 PolarHBondContact O-OG1 3.43Å; T430-R432 PolarHBondContact O-N 3.36Å; T430-R432 WeakPolarHBondContact OG1-CB 3.38Å; T430-R432 WeakPolarHBondContact OG1-CD 3.34Å; T430-R432 WeakPolarHBondContact OG1-CG 3.13Å; T430-R432 PolarHBondContact OG1-N 2.98Å
431	G	92.7	Very high	83	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.021	20%	0.2	C	C	.	.			trans	64.9	18	-175	0	0	0	0	0	114.2	L434	G431-L434 WeakPolarHBondContact O-CB 3.48Å; G431-L434 PolarHBondContact O-N 3.08Å
432	R	93.1	Very high	84.9	Confident	67 Å²	67	34.9 Å²	34.9	25%	0.253	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	147.9	178.4	-61.1	173.8	67.1	-167.4	-4.1	109.5	D355 V415 T430	D355-R432 IonicContact OD1-CZ 3Å; D355-R432 VanDerWaalsContact OD1-CZ 3.28Å; D355-R432 IonicContact OD1-NE 2.92Å; D355-R432 PolarHBondContact OD1-NE 2.67Å; D355-R432 IonicContact OD1-NH2 3.17Å; D355-R432 PolarHBondContact OD1-NH2 3.25Å; D355-R432 WeakPolarHBondContact OD2-CB 3.28Å; D355-R432 VanDerWaalsContact OD2-CG 3.28Å; D355-R432 WeakPolarHBondContact OD2-CG 3.47Å; D355-R432 IonicContact OD2-NE 3.37Å; V415-R432 HydrophobicContact CB-CB 4.44Å; V415-R432 HydrophobicContact CG2-CB 4.1Å; T430-R432 PolarHBondContact O-N 3.36Å; T430-R432 WeakPolarHBondContact OG1-CB 3.38Å; T430-R432 WeakPolarHBondContact OG1-CD 3.34Å; T430-R432 WeakPolarHBondContact OG1-CG 3.13Å; T430-R432 PolarHBondContact OG1-N 2.98Å
433	P	94.6	Very high	86.9	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	cis	-105	39.6	4.5	38.8	-34.6	0	0	0	113.6	D355 M410 I412 R435 T436 V437	D355-P433 WeakPolarHBondContact OD2-CA 3.47Å; M410-P433 HydrophobicContact CE-CB 4.27Å; M410-P433 HydrophobicContact CE-CG 3.53Å; M410-P433 HydrophobicContact SD-CG 4.41Å; I412-P433 VanDerWaalsContact CG2-CD 3.48Å; I412-P433 HydrophobicContact CG2-CG 3.97Å; P433-R435 VanDerWaalsContact C-N 3.31Å; P433-R435 PolarHBondContact O-N 2.85Å; P433-T436 WeakPolarHBondContact O-CA 3.49Å; P433-T436 WeakPolarHBondContact O-CB 3.2Å; P433-T436 PolarHBondContact O-N 2.89Å; P433-V437 HydrophobicContact CG-CG2 4.17Å; P433-V437 PolarHBondContact O-N 3.25Å; P433-V437 VanDerWaalsContact O-N 3.14Å
434	L	96.9	Very high	88.7	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-43.1	-51.6	-170.3	179.5	82.3	0	0	0	114.3	G131 Q132 V135 C245 A249 G431 T436 V437 V438	G131-L434 WeakPolarHBondContact O-CD2 3.33Å; Q132-L434 HydrophobicContact CB-CD2 3.93Å; V135-L434 HydrophobicContact CG2-CB 4.23Å; V135-L434 HydrophobicContact CG2-CD1 3.91Å; V135-L434 HydrophobicContact CG2-CD2 4.13Å; V135-L434 HydrophobicContact CG2-CG 4.31Å; C245-L434 VanDerWaalsContact O-CD1 3.28Å; C245-L434 WeakPolarHBondContact O-CD1 3.45Å; A249-L434 HydrophobicContact CB-CD1 4.03Å; G431-L434 WeakPolarHBondContact O-CB 3.48Å; G431-L434 PolarHBondContact O-N 3.08Å; L434-T436 PolarHBondContact O-N 3.4Å; L434-V437 PolarHBondContact O-N 3.12Å; L434-V437 VanDerWaalsContact O-N 3.14Å; L434-V438 HydrophobicContact CD1-CG2 4.35Å; L434-V438 HydrophobicContact CG-CG2 4.3Å; L434-V438 WeakPolarHBondContact O-CG2 3.29Å; L434-V438 PolarHBondContact O-N 3.18Å
435	R	95.8	Very high	90.4	Very high	5 Å²	5	22.9 Å²	22.9	2%	0.019	13%	0.125	C	C	.	.	H	α-helix	trans	-61.9	-35.2	-175	-65.1	178.6	-60.5	133.7	11.4	112	L128 T353 D355 P433 T439	L128-R435 HydrophobicContact CB-CG 4.2Å; L128-R435 HydrophobicContact CD2-CG 4.45Å; T353-R435 HydrophobicContact CG2-CB 3.91Å; T353-R435 WeakPolarHBondContact CG2-O 3.23Å; T353-R435 PolarHBondContact O-NH1 3.46Å; T353-R435 PolarHBondContact O-NH2 3.14Å; D355-R435 IonicContact OD2-NH2 2.71Å; P433-R435 VanDerWaalsContact C-N 3.31Å; P433-R435 PolarHBondContact O-N 2.85Å; R435-T439 VanDerWaalsContact O-CB 3.25Å; R435-T439 WeakPolarHBondContact O-CB 3.41Å; R435-T439 PolarHBondContact O-N 3.2Å; R435-T439 PolarHBondContact O-OG1 3.21Å
436	T	96.2	Very high	91.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.6	-42.9	176.5	-69.8	0	0	0	0	110.9	M346 A349 G350 T353 D355 V357 P433 L434 T439 C440	M346-T436 HydrophobicContact CG-CG2 4.2Å; M346-T436 HydrophobicContact SD-CG2 3.53Å; M346-T436 VanDerWaalsContact SD-CG2 3.53Å; A349-T436 HydrophobicContact CB-CG2 4.12Å; G350-T436 WeakPolarHBondContact CA-OG1 3.43Å; T353-T436 PolarHBondContact OG1-OG1 3.39Å; D355-T436 VanDerWaalsContact CB-OG1 3.31Å; D355-T436 WeakPolarHBondContact CB-OG1 3.39Å; D355-T436 PolarHBondContact O-OG1 3.47Å; V357-T436 HydrophobicContact CG1-CG2 3.97Å; P433-T436 WeakPolarHBondContact O-CA 3.49Å; P433-T436 WeakPolarHBondContact O-CB 3.2Å; P433-T436 PolarHBondContact O-N 2.89Å; L434-T436 PolarHBondContact O-N 3.4Å; T436-T439 PolarHBondContact O-N 3.06Å; T436-C440 WeakPolarHBondContact O-CB 3.5Å; T436-C440 PolarHBondContact O-N 3.06Å
437	V	97	Very high	93.2	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-59.1	-51.3	174.9	177.7	0	0	0	0	110.6	A249 M410 P433 L434 T439 C440 L441	A249-V437 HydrophobicContact CB-CG1 4.14Å; M410-V437 HydrophobicContact CE-CG2 4.36Å; M410-V437 HydrophobicContact SD-CG2 3.9Å; P433-V437 HydrophobicContact CG-CG2 4.17Å; P433-V437 PolarHBondContact O-N 3.25Å; P433-V437 VanDerWaalsContact O-N 3.14Å; L434-V437 PolarHBondContact O-N 3.12Å; L434-V437 VanDerWaalsContact O-N 3.14Å; V437-T439 PolarHBondContact O-N 2.99Å; V437-C440 WeakPolarHBondContact O-CB 2.98Å; V437-C440 PolarHBondContact O-N 2.77Å; V437-L441 HydrophobicContact CG1-CD1 3.84Å; V437-L441 HydrophobicContact CG1-CG 4.44Å; V437-L441 VanDerWaalsContact O-CG 3.27Å; V437-L441 WeakPolarHBondContact O-CG 3.16Å; V437-L441 PolarHBondContact O-N 3.09Å
438	V	97.9	Very high	94.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-48.6	178.5	173.1	0	0	0	0	111.6	L128 A249 T252 L253 L256 L434 C440 L441 E442	L128-V438 HydrophobicContact CD2-CB 4.16Å; L128-V438 HydrophobicContact CD2-CG1 3.79Å; A249-V438 HydrophobicContact CB-CG2 4.03Å; T252-V438 HydrophobicContact CG2-CG1 4.06Å; T252-V438 HydrophobicContact CG2-CG2 4.01Å; L253-V438 HydrophobicContact CD2-CG1 3.9Å; L253-V438 HydrophobicContact CG-CG1 4.31Å; L256-V438 HydrophobicContact CD1-CG1 4.01Å; L434-V438 HydrophobicContact CD1-CG2 4.35Å; L434-V438 HydrophobicContact CG-CG2 4.3Å; L434-V438 WeakPolarHBondContact O-CG2 3.29Å; L434-V438 PolarHBondContact O-N 3.18Å; V438-C440 VanDerWaalsContact C-N 3.29Å; V438-C440 PolarHBondContact O-N 3.45Å; V438-L441 PolarHBondContact O-N 3.47Å; V438-E442 PolarHBondContact O-N 3.31Å; V438-E442 VanDerWaalsContact O-N 3.1Å
439	T	96.3	Very high	94.7	Very high	22 Å²	22	14.8 Å²	14.8	14%	0.135	8%	0.076	C	C	.	.	H	α-helix	trans	-65.1	-33.8	-179.6	-56.9	0	0	0	0	112	A349 T353 R435 T436 V437	A349-T439 HydrophobicContact CB-CG2 3.9Å; T353-T439 HydrophobicContact CG2-CG2 4.41Å; T353-T439 WeakPolarHBondContact CG2-OG1 3.11Å; R435-T439 VanDerWaalsContact O-CB 3.25Å; R435-T439 WeakPolarHBondContact O-CB 3.41Å; R435-T439 PolarHBondContact O-N 3.2Å; R435-T439 PolarHBondContact O-OG1 3.21Å; T436-T439 PolarHBondContact O-N 3.06Å; V437-T439 PolarHBondContact O-N 2.99Å
440	C	95.6	Very high	95	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-67.2	-48	174.5	-175.6	0	0	0	0	110.7	M346 A349 T436 V437 V438 E442 S443 L444	M346-C440 HydrophobicContact CE-CB 3.96Å; M346-C440 HydrophobicContact SD-CB 3.59Å; M346-C440 VanDerWaalsContact SD-CB 3.59Å; A349-C440 HydrophobicContact CB-CB 3.91Å; T436-C440 WeakPolarHBondContact O-CB 3.5Å; T436-C440 PolarHBondContact O-N 3.06Å; V437-C440 WeakPolarHBondContact O-CB 2.98Å; V437-C440 PolarHBondContact O-N 2.77Å; V438-C440 VanDerWaalsContact C-N 3.29Å; V438-C440 PolarHBondContact O-N 3.45Å; C440-E442 VanDerWaalsContact C-N 3.32Å; C440-E442 PolarHBondContact O-N 3.03Å; C440-S443 WeakPolarHBondContact O-CA 3.49Å; C440-S443 WeakPolarHBondContact O-CB 3.4Å; C440-S443 PolarHBondContact O-N 3.47Å; C440-S443 PolarHBondContact O-OG 3.44Å; C440-L444 PolarHBondContact O-N 3.35Å
441	L	96.7	Very high	95.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.3	-40.7	179.8	-70.8	166.1	0	0	0	112.7	I211 L213 L253 I264 I323 V437 V438 S443 L444	I211-L441 HydrophobicContact CD1-CD2 4.05Å; I211-L441 HydrophobicContact CG2-CD2 3.8Å; L213-L441 HydrophobicContact CD1-CD1 3.82Å; L213-L441 HydrophobicContact CD2-CD1 4.32Å; L213-L441 HydrophobicContact CD2-CD2 4.14Å; L253-L441 HydrophobicContact CD1-CB 4.42Å; L253-L441 HydrophobicContact CD1-CD1 3.84Å; I264-L441 HydrophobicContact CD1-CD1 4.14Å; I264-L441 HydrophobicContact CD1-CD2 4.33Å; I323-L441 HydrophobicContact CD1-CD2 4.34Å; V437-L441 HydrophobicContact CG1-CD1 3.84Å; V437-L441 HydrophobicContact CG1-CG 4.44Å; V437-L441 VanDerWaalsContact O-CG 3.27Å; V437-L441 WeakPolarHBondContact O-CG 3.16Å; V437-L441 PolarHBondContact O-N 3.09Å; V438-L441 PolarHBondContact O-N 3.47Å; L441-S443 PolarHBondContact O-N 3.15Å; L441-L444 HydrophobicContact CD2-CD1 4.42Å; L441-L444 PolarHBondContact O-N 3.46Å
442	E	95.7	Very high	95.5	Very high	59 Å²	59	17.3 Å²	17.3	28%	0.276	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.6	174.5	-69	170.6	118.5	0	0	113.7	R124 L253 L260 V438 C440	R124-E442 IonicContact CZ-OE1 3.76Å; R124-E442 IonicContact CZ-OE2 2.69Å; R124-E442 IonicContact NH1-OE1 3.78Å; R124-E442 PolarHBondContact NH1-OE1 3.07Å; R124-E442 IonicContact NH1-OE2 3.93Å; R124-E442 PolarHBondContact NH1-OE2 3.34Å; R124-E442 IonicContact NH2-OE1 3.77Å; R124-E442 PolarHBondContact NH2-OE1 3.21Å; R124-E442 IonicContact NH2-OE2 3.64Å; R124-E442 PolarHBondContact NH2-OE2 3.33Å; L253-E442 HydrophobicContact CD2-CG 3.87Å; L260-E442 HydrophobicContact CD2-CB 4.31Å; L260-E442 HydrophobicContact CD2-CG 3.93Å; V438-E442 PolarHBondContact O-N 3.31Å; V438-E442 VanDerWaalsContact O-N 3.1Å; C440-E442 VanDerWaalsContact C-N 3.32Å; C440-E442 PolarHBondContact O-N 3.03Å
443	S	93.8	Very high	95.7	Very high	42 Å²	42	13.2 Å²	13.2	29%	0.294	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-5	-178.6	81.1	0	0	0	0	114.6	K345 C440 L441	K345-S443 PolarHBondContact NZ-O 2.93Å; C440-S443 WeakPolarHBondContact O-CA 3.49Å; C440-S443 WeakPolarHBondContact O-CB 3.4Å; C440-S443 PolarHBondContact O-N 3.47Å; C440-S443 PolarHBondContact O-OG 3.44Å; L441-S443 PolarHBondContact O-N 3.15Å
444	L	92.5	Very high	95.8	Very high	28 Å²	28	14.3 Å²	14.3	15%	0.147	8%	0.08	C	C	.	.			trans	-91.5	0	178.8	-65	175.8	0	0	0	111.2	K208 I211 S261 L342 K345 C440 L441	K208-L444 PolarHBondContact NZ-O 3.35Å; I211-L444 HydrophobicContact CD1-CB 4.06Å; I211-L444 HydrophobicContact CD1-CD1 3.84Å; S261-L444 VanDerWaalsContact OG-C 3.24Å; S261-L444 PolarHBondContact OG-O 3.14Å; S261-L444 VanDerWaalsContact OG-O 3.08Å; S261-L444 PolarHBondContact OG-OXT 2.73Å; L342-L444 HydrophobicContact CD2-CD1 3.9Å; L342-L444 HydrophobicContact CD2-CD2 3.85Å; K345-L444 HydrophobicContact CB-CD2 4.24Å; K345-L444 HydrophobicContact CG-CD2 4.05Å; C440-L444 PolarHBondContact O-N 3.35Å; L441-L444 HydrophobicContact CD2-CD1 4.42Å; L441-L444 PolarHBondContact O-N 3.46Å

Retrieved 444 of 444 residues in 266.5 ms (Link to these results)

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