A0A3Q0KKA8_SCHMA Loading...

Transposase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKA8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 560 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	27.1	Very low	45.4	Very low	209 Å²	209	112 Å²	112	100%	1.03	59%	0.587	S	S	*	*				0	-44.6	0	-83	-179.8	85.6	0	0	114.3	L3 M4	M1-L3 PolarHBondContact O-N 2.82Å; M1-M4 PolarHBondContact O-N 3.12Å
2	H	27.5	Very low	47.6	Very low	181 Å²	181	120.3 Å²	120.3	84%	0.838	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-23.7	-172.9	-101.1	-52.4	0	0	0	116.8	M4	H2-M4 VanDerWaalsContact C-N 3.34Å
3	L	32.9	Very low	50	Low	105 Å²	105	116.8 Å²	116.8	55%	0.55	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.2	-16.4	175	-89.1	154.1	0	0	0	114.1	M1 L9	M1-L3 PolarHBondContact O-N 2.82Å; L3-L9 HydrophobicContact CD2-CD1 3.76Å
4	M	37.1	Very low	52	Low	137 Å²	137	109.6 Å²	109.6	68%	0.675	56%	0.557	S	S	*	*	S	Bend	trans	-87.4	-13.8	-174.8	-70.5	-131	159.7	0	0	114.3	M1 H2 F436	M1-M4 PolarHBondContact O-N 3.12Å; H2-M4 VanDerWaalsContact C-N 3.34Å; M4-F436 HydrophobicContact CE-CD1 4.11Å; M4-F436 HydrophobicContact CE-CE1 3.3Å; M4-F436 HydrophobicContact CE-CZ 3.96Å
5	T	35.7	Very low	53.9	Low	102 Å²	102	104.5 Å²	104.5	63%	0.626	53%	0.531	S	S	*	.	S	Bend	trans	-95.5	-1.1	-159.4	44.7	0	0	0	0	117.7
6	S	38.5	Very low	55.6	Low	102 Å²	102	109 Å²	109	71%	0.713	54%	0.54	S	S	*	.	S	Bend	trans	-175.2	-8.9	161.4	59.6	0	0	0	0	116.5
7	T	44.4	Very low	57.2	Low	86 Å²	86	105.6 Å²	105.6	53%	0.528	53%	0.526	S	S	.	.			trans	-96.3	107.4	-173.3	49.1	0	0	0	0	110.9	L9	T7-L9 PolarHBondContact O-N 2.93Å
8	Y	56	Low	58.6	Low	157 Å²	157	100.6 Å²	100.6	62%	0.616	50%	0.501	S	S	*	.			trans	-58.4	104.7	165	-67.4	-84.3	0	0	0	108.8	Q414	Y8-Q414 VanDerWaalsContact OH-CB 3.25Å; Y8-Q414 WeakPolarHBondContact OH-CB 3.27Å; Y8-Q414 PolarHBondContact OH-OE1 2.8Å
9	L	63.5	Low	59.9	Low	60 Å²	60	99.1 Å²	99.1	31%	0.314	50%	0.495	S	S	.	.			trans	-73.1	134.1	172.8	-117.3	81.9	0	0	0	109.4	L3 T7 D13 A14 V17	L3-L9 HydrophobicContact CD2-CD1 3.76Å; T7-L9 PolarHBondContact O-N 2.93Å; L9-D13 HydrophobicContact CD2-CB 3.99Å; L9-D13 HydrophobicContact CG-CB 3.92Å; L9-A14 HydrophobicContact CD2-CB 4.11Å; L9-V17 HydrophobicContact CD2-CG2 4.13Å
10	S	68.8	Low	61.2	Low	48 Å²	48	100 Å²	100	34%	0.336	50%	0.498	S	S	.	.			trans	-65.3	156.1	169.1	81.4	0	0	0	0	109.7	R12 D13 A14	S10-R12 PolarHBondContact O-N 2.81Å; S10-R12 PolarHBondContact OG-N 2.84Å; S10-D13 WeakPolarHBondContact CB-OD2 3.44Å; S10-D13 PolarHBondContact O-N 2.85Å; S10-D13 VanDerWaalsContact O-N 3.11Å; S10-D13 PolarHBondContact OG-N 2.93Å; S10-D13 PolarHBondContact OG-OD2 3.01Å; S10-A14 WeakPolarHBondContact O-CB 3.41Å; S10-A14 PolarHBondContact O-N 2.78Å
11	I	68.1	Low	62.3	Low	45 Å²	45	100.6 Å²	100.6	23%	0.231	50%	0.498	C	S	.	.	H	α-helix	trans	-55.5	-38.7	175.4	-67.9	175.6	0	0	0	110	A14 D15 I32 R33	I11-A14 PolarHBondContact O-N 2.86Å; I11-D15 WeakPolarHBondContact O-CB 3.41Å; I11-D15 PolarHBondContact O-N 3.15Å; I11-I32 HydrophobicContact CG2-CG2 3.97Å; I11-R33 HydrophobicContact CG2-CG 4.27Å
12	R	71.6	Confident	64.9	Low	211 Å²	211	94.7 Å²	94.7	80%	0.796	46%	0.464	S	S	*	.	H	α-helix	trans	-64.3	-42.7	178.6	-173	-178.2	-177.5	-175.8	0.8	112.2	S10 A14 D15 R16	S10-R12 PolarHBondContact O-N 2.81Å; S10-R12 PolarHBondContact OG-N 2.84Å; R12-A14 VanDerWaalsContact C-N 3.35Å; R12-D15 PolarHBondContact O-N 3.49Å; R12-R16 WeakPolarHBondContact O-CB 3.48Å; R12-R16 PolarHBondContact O-N 3.36Å
13	D	78.1	Confident	67.6	Low	75 Å²	75	92.8 Å²	92.8	40%	0.401	46%	0.459	S	S	.	.	H	α-helix	trans	-70	-36.6	178.1	-59.1	-41.3	0	0	0	111	L9 S10 R16 V17	L9-D13 HydrophobicContact CD2-CB 3.99Å; L9-D13 HydrophobicContact CG-CB 3.92Å; S10-D13 WeakPolarHBondContact CB-OD2 3.44Å; S10-D13 PolarHBondContact O-N 2.85Å; S10-D13 VanDerWaalsContact O-N 3.11Å; S10-D13 PolarHBondContact OG-N 2.93Å; S10-D13 PolarHBondContact OG-OD2 3.01Å; D13-R16 WeakPolarHBondContact O-CB 3.24Å; D13-R16 PolarHBondContact O-N 2.88Å; D13-V17 WeakPolarHBondContact O-CG2 3.23Å; D13-V17 PolarHBondContact O-N 2.89Å
14	A	78	Confident	70.1	Confident	17 Å²	17	94.1 Å²	94.1	14%	0.14	47%	0.465	C	S	.	.	H	α-helix	trans	-66.5	-42.4	175.6	0	0	0	0	0	111.3	L9 S10 I11 R12 R16 V17 L18 I32	L9-A14 HydrophobicContact CD2-CB 4.11Å; S10-A14 WeakPolarHBondContact O-CB 3.41Å; S10-A14 PolarHBondContact O-N 2.78Å; I11-A14 PolarHBondContact O-N 2.86Å; R12-A14 VanDerWaalsContact C-N 3.35Å; A14-R16 VanDerWaalsContact C-N 3.28Å; A14-R16 PolarHBondContact O-N 3.41Å; A14-V17 PolarHBondContact O-N 3.27Å; A14-L18 VanDerWaalsContact O-CB 3.28Å; A14-L18 WeakPolarHBondContact O-CB 3.31Å; A14-L18 PolarHBondContact O-N 3.37Å; A14-I32 HydrophobicContact CB-CB 4.1Å; A14-I32 HydrophobicContact CB-CG1 4.14Å; A14-I32 HydrophobicContact CB-CG2 4.01Å
15	D	80.7	Confident	72.2	Confident	33 Å²	33	91 Å²	91	18%	0.176	45%	0.454	C	S	.	.	H	α-helix	trans	-62.6	-36.6	173.1	-70	-17.4	0	0	0	111	I11 R12 L18 N19 S31 I32	I11-D15 WeakPolarHBondContact O-CB 3.41Å; I11-D15 PolarHBondContact O-N 3.15Å; R12-D15 PolarHBondContact O-N 3.49Å; D15-L18 PolarHBondContact O-N 2.85Å; D15-N19 WeakPolarHBondContact O-CB 3.2Å; D15-N19 VanDerWaalsContact O-CG 3.31Å; D15-N19 PolarHBondContact O-N 2.98Å; D15-N19 PolarHBondContact O-ND2 2.86Å; D15-S31 WeakPolarHBondContact OD1-CA 3.13Å; D15-S31 PolarHBondContact OD1-OG 3.14Å; D15-S31 PolarHBondContact OD2-OG 3.4Å; D15-I32 WeakPolarHBondContact OD1-CG2 3.41Å; D15-I32 PolarHBondContact OD1-N 2.84Å
16	R	81.9	Confident	74.5	Confident	176 Å²	176	90.1 Å²	90.1	66%	0.664	45%	0.45	S	S	*	.	H	α-helix	trans	-65.3	-48	175.5	-162.8	178.8	-172.1	179	2.2	111.6	R12 D13 A14 L18 N19 E20	R12-R16 WeakPolarHBondContact O-CB 3.48Å; R12-R16 PolarHBondContact O-N 3.36Å; D13-R16 WeakPolarHBondContact O-CB 3.24Å; D13-R16 PolarHBondContact O-N 2.88Å; A14-R16 VanDerWaalsContact C-N 3.28Å; A14-R16 PolarHBondContact O-N 3.41Å; R16-L18 VanDerWaalsContact C-N 3.3Å; R16-L18 PolarHBondContact O-N 3.02Å; R16-N19 PolarHBondContact O-N 3.44Å; R16-E20 PolarHBondContact O-N 3.08Å; R16-E20 VanDerWaalsContact O-N 3.12Å
17	V	83.1	Confident	76.6	Confident	52 Å²	52	92.8 Å²	92.8	32%	0.315	46%	0.456	S	S	.	.	H	α-helix	trans	-59.6	-42.9	174.5	171.4	0	0	0	0	110.7	L9 D13 A14 N19 E20 F21	L9-V17 HydrophobicContact CD2-CG2 4.13Å; D13-V17 WeakPolarHBondContact O-CG2 3.23Å; D13-V17 PolarHBondContact O-N 2.89Å; A14-V17 PolarHBondContact O-N 3.27Å; V17-N19 VanDerWaalsContact C-N 3.32Å; V17-N19 PolarHBondContact O-N 3.01Å; V17-E20 WeakPolarHBondContact O-CB 3.45Å; V17-E20 PolarHBondContact O-N 3.02Å; V17-F21 HydrophobicContact CG1-CD2 3.75Å; V17-F21 HydrophobicContact CG1-CE2 3.5Å; V17-F21 VanDerWaalsContact CG1-CE2 3.5Å; V17-F21 WeakPolarHBondContact O-CD2 3.18Å; V17-F21 PolarHBondContact O-N 3.42Å
18	L	81.9	Confident	78.2	Confident	14 Å²	14	91.1 Å²	91.1	7%	0.073	44%	0.444	C	S	.	.	H	α-helix	trans	-62.5	-39	177.8	-170.7	62.3	0	0	0	111.9	A14 D15 R16 F21 R22 L28 P29 S31 I35	A14-L18 VanDerWaalsContact O-CB 3.28Å; A14-L18 WeakPolarHBondContact O-CB 3.31Å; A14-L18 PolarHBondContact O-N 3.37Å; D15-L18 PolarHBondContact O-N 2.85Å; R16-L18 VanDerWaalsContact C-N 3.3Å; R16-L18 PolarHBondContact O-N 3.02Å; L18-F21 PolarHBondContact O-N 3.09Å; L18-R22 WeakPolarHBondContact O-CG 3.41Å; L18-R22 PolarHBondContact O-N 2.74Å; L18-L28 HydrophobicContact CD1-CB 4.29Å; L18-L28 HydrophobicContact CD1-CD1 4.28Å; L18-L28 HydrophobicContact CD1-CD2 4.46Å; L18-P29 WeakPolarHBondContact CD2-O 3.39Å; L18-P29 WeakPolarHBondContact CG-O 3.45Å; L18-S31 VanDerWaalsContact CD2-C 3.48Å; L18-I35 HydrophobicContact CD1-CD1 3.75Å; L18-I35 HydrophobicContact CD2-CD1 3.78Å; L18-I35 HydrophobicContact CG-CD1 4.46Å
19	N	83.7	Confident	79.2	Confident	73 Å²	73	86 Å²	86	39%	0.39	43%	0.43	S	S	.	.	H	α-helix	trans	-64.9	-36.1	174.8	-77.6	-31.9	0	0	0	112.8	D15 R16 V17 R22	D15-N19 WeakPolarHBondContact O-CB 3.2Å; D15-N19 VanDerWaalsContact O-CG 3.31Å; D15-N19 PolarHBondContact O-N 2.98Å; D15-N19 PolarHBondContact O-ND2 2.86Å; R16-N19 PolarHBondContact O-N 3.44Å; V17-N19 VanDerWaalsContact C-N 3.32Å; V17-N19 PolarHBondContact O-N 3.01Å; N19-R22 WeakPolarHBondContact O-CB 3.08Å; N19-R22 PolarHBondContact O-N 2.49Å
20	E	86.3	Confident	79.9	Confident	117 Å²	117	87.4 Å²	87.4	55%	0.547	44%	0.441	S	S	.	.	H	α-helix	trans	-63.9	-42.7	171.7	-62.6	-60.4	149.3	0	0	111	R16 V17 R22 L23	R16-E20 PolarHBondContact O-N 3.08Å; R16-E20 VanDerWaalsContact O-N 3.12Å; V17-E20 WeakPolarHBondContact O-CB 3.45Å; V17-E20 PolarHBondContact O-N 3.02Å; E20-R22 VanDerWaalsContact C-N 3.25Å; E20-R22 PolarHBondContact O-N 3.04Å; E20-L23 WeakPolarHBondContact O-CB 3.45Å; E20-L23 PolarHBondContact O-N 3.37Å
21	F	83	Confident	80.4	Confident	113 Å²	113	86 Å²	86	50%	0.496	43%	0.432	S	S	.	.	H	α-helix	trans	-65.6	-27.5	175.1	-77.7	-70	0	0	0	113.2	V17 L18 L23 I24 V25 L28	V17-F21 HydrophobicContact CG1-CD2 3.75Å; V17-F21 HydrophobicContact CG1-CE2 3.5Å; V17-F21 VanDerWaalsContact CG1-CE2 3.5Å; V17-F21 WeakPolarHBondContact O-CD2 3.18Å; V17-F21 PolarHBondContact O-N 3.42Å; L18-F21 PolarHBondContact O-N 3.09Å; F21-L23 PolarHBondContact O-N 3.21Å; F21-I24 PolarHBondContact O-N 2.99Å; F21-V25 PolarHBondContact O-N 2.88Å; F21-L28 HydrophobicContact CB-CD1 3.7Å
22	R	82.6	Confident	80.8	Confident	84 Å²	84	86 Å²	86	32%	0.317	43%	0.431	S	S	.	.	H	α-helix	trans	-65.4	-20.8	175	-78.2	179.5	78.9	-148.1	-1.7	113.7	L18 N19 E20 I24 V25 P26 L28 T30	L18-R22 WeakPolarHBondContact O-CG 3.41Å; L18-R22 PolarHBondContact O-N 2.74Å; N19-R22 WeakPolarHBondContact O-CB 3.08Å; N19-R22 PolarHBondContact O-N 2.49Å; E20-R22 VanDerWaalsContact C-N 3.25Å; E20-R22 PolarHBondContact O-N 3.04Å; R22-I24 PolarHBondContact O-N 2.93Å; R22-V25 WeakPolarHBondContact CA-O 3.21Å; R22-V25 CarbonylContact O-C 3.42Å; R22-P26 WeakPolarHBondContact O-CA 3.42Å; R22-L28 WeakPolarHBondContact CD-O 3.48Å; R22-L28 HydrophobicContact CG-CB 3.65Å; R22-L28 PolarHBondContact NE-O 2.83Å; R22-L28 VanDerWaalsContact NE-O 3.11Å; R22-T30 VanDerWaalsContact NH1-CG2 3.32Å
23	L	83.1	Confident	80.8	Confident	141 Å²	141	83.2 Å²	83.2	74%	0.738	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.3	170.9	-62.2	172.7	0	0	0	111.9	E20 F21	E20-L23 WeakPolarHBondContact O-CB 3.45Å; E20-L23 PolarHBondContact O-N 3.37Å; F21-L23 PolarHBondContact O-N 3.21Å
24	I	85.4	Confident	80.5	Confident	133 Å²	133	82 Å²	82	68%	0.682	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-38.5	-179.9	-54.6	173.8	0	0	0	110.7	F21 R22	F21-I24 PolarHBondContact O-N 2.99Å; R22-I24 PolarHBondContact O-N 2.93Å
25	V	82.5	Confident	80.1	Confident	71 Å²	71	83 Å²	83	43%	0.43	42%	0.421	S	S	.	.			trans	-127.1	86.7	-179.1	-171.9	0	0	0	0	109.2	F21 R22 D27 L28	F21-V25 PolarHBondContact O-N 2.88Å; R22-V25 WeakPolarHBondContact CA-O 3.21Å; R22-V25 CarbonylContact O-C 3.42Å; V25-D27 PolarHBondContact O-N 2.84Å; V25-D27 VanDerWaalsContact O-N 3.14Å; V25-L28 HydrophobicContact CB-CD1 3.77Å; V25-L28 HydrophobicContact CB-CG 3.91Å; V25-L28 HydrophobicContact CG1-CD1 4.28Å; V25-L28 HydrophobicContact CG1-CG 3.88Å; V25-L28 WeakPolarHBondContact O-CB 3.39Å; V25-L28 PolarHBondContact O-N 2.9Å; V25-L28 VanDerWaalsContact O-N 3.12Å
26	P	83	Confident	79.4	Confident	85 Å²	85	84 Å²	84	55%	0.552	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.8	-170.6	-26.7	35.2	0	0	0	114.8	R22 L28	R22-P26 WeakPolarHBondContact O-CA 3.42Å; P26-L28 PolarHBondContact O-N 2.79Å
27	D	82.9	Confident	78.6	Confident	157 Å²	157	85.8 Å²	85.8	84%	0.84	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-2.4	-176.8	-59.7	-30.9	0	0	0	113.7	V25	V25-D27 PolarHBondContact O-N 2.84Å; V25-D27 VanDerWaalsContact O-N 3.14Å
28	L	77.2	Confident	77.6	Confident	52 Å²	52	87.7 Å²	87.7	27%	0.272	44%	0.444	S	S	.	.	S	Bend	trans	-61.5	142	173.5	-78.8	169.3	0	0	0	110.6	L18 F21 R22 V25 P26	L18-L28 HydrophobicContact CD1-CB 4.29Å; L18-L28 HydrophobicContact CD1-CD1 4.28Å; L18-L28 HydrophobicContact CD1-CD2 4.46Å; F21-L28 HydrophobicContact CB-CD1 3.7Å; R22-L28 WeakPolarHBondContact CD-O 3.48Å; R22-L28 HydrophobicContact CG-CB 3.65Å; R22-L28 PolarHBondContact NE-O 2.83Å; R22-L28 VanDerWaalsContact NE-O 3.11Å; V25-L28 HydrophobicContact CB-CD1 3.77Å; V25-L28 HydrophobicContact CB-CG 3.91Å; V25-L28 HydrophobicContact CG1-CD1 4.28Å; V25-L28 HydrophobicContact CG1-CG 3.88Å; V25-L28 WeakPolarHBondContact O-CB 3.39Å; V25-L28 PolarHBondContact O-N 2.9Å; V25-L28 VanDerWaalsContact O-N 3.12Å; P26-L28 PolarHBondContact O-N 2.79Å
29	P	77.9	Confident	76.8	Confident	48 Å²	48	87.7 Å²	87.7	31%	0.312	45%	0.445	S	S	.	.			trans	-56.3	148.8	178.7	-25.9	35.1	0	0	0	112.8	L18 S31 I35	L18-P29 WeakPolarHBondContact CD2-O 3.39Å; L18-P29 WeakPolarHBondContact CG-O 3.45Å; P29-S31 PolarHBondContact O-N 3.02Å; P29-I35 HydrophobicContact CB-CG1 4.06Å; P29-I35 HydrophobicContact CG-CD1 4.37Å; P29-I35 HydrophobicContact CG-CG1 3.71Å
30	T	78.8	Confident	76	Confident	90 Å²	90	90.1 Å²	90.1	55%	0.552	46%	0.463	S	S	*	.	S	Bend	trans	-70.8	-16.8	-178.6	50.2	0	0	0	0	114.1	R22	R22-T30 VanDerWaalsContact NH1-CG2 3.32Å
31	S	78.9	Confident	75.4	Confident	20 Å²	20	88.1 Å²	88.1	14%	0.14	46%	0.462	C	S	.	.	S	Bend	trans	-142.2	143.7	177.7	178.2	0	0	0	0	110.7	D15 L18 P29 R33 S34	D15-S31 WeakPolarHBondContact OD1-CA 3.13Å; D15-S31 PolarHBondContact OD1-OG 3.14Å; D15-S31 PolarHBondContact OD2-OG 3.4Å; L18-S31 VanDerWaalsContact CD2-C 3.48Å; P29-S31 PolarHBondContact O-N 3.02Å; S31-R33 PolarHBondContact O-N 2.92Å; S31-R33 VanDerWaalsContact O-N 3.11Å; S31-R33 PolarHBondContact OG-N 2.92Å; S31-R33 VanDerWaalsContact OG-N 3.13Å; S31-S34 WeakPolarHBondContact O-CB 3.36Å; S31-S34 PolarHBondContact O-N 2.84Å
32	I	75.3	Confident	75.5	Confident	44 Å²	44	83.7 Å²	83.7	23%	0.226	44%	0.444	C	S	.	.	H	α-helix	trans	-55.3	-27.5	169.8	-159.7	64.2	0	0	0	110.9	I11 A14 D15 S34 I35 L36	I11-I32 HydrophobicContact CG2-CG2 3.97Å; A14-I32 HydrophobicContact CB-CB 4.1Å; A14-I32 HydrophobicContact CB-CG1 4.14Å; A14-I32 HydrophobicContact CB-CG2 4.01Å; D15-I32 WeakPolarHBondContact OD1-CG2 3.41Å; D15-I32 PolarHBondContact OD1-N 2.84Å; I32-S34 VanDerWaalsContact C-N 3.28Å; I32-S34 PolarHBondContact O-N 3.22Å; I32-I35 HydrophobicContact CD1-CB 4.4Å; I32-I35 HydrophobicContact CD1-CD1 3.96Å; I32-I35 WeakPolarHBondContact O-CB 3.46Å; I32-I35 PolarHBondContact O-N 3.22Å; I32-L36 VanDerWaalsContact O-CG 3.29Å; I32-L36 WeakPolarHBondContact O-CG 3.22Å; I32-L36 PolarHBondContact O-N 2.96Å
33	R	72.6	Confident	75.9	Confident	152 Å²	152	86.2 Å²	86.2	57%	0.574	46%	0.46	S	S	*	.	H	α-helix	trans	-60.4	-36.8	174.3	-69.3	-175.6	-179.7	179.4	2.4	112.4	I11 S31 I35 L36 R37	I11-R33 HydrophobicContact CG2-CG 4.27Å; S31-R33 PolarHBondContact O-N 2.92Å; S31-R33 VanDerWaalsContact O-N 3.11Å; S31-R33 PolarHBondContact OG-N 2.92Å; S31-R33 VanDerWaalsContact OG-N 3.13Å; R33-I35 VanDerWaalsContact C-N 3.34Å; R33-L36 PolarHBondContact O-N 2.9Å; R33-R37 WeakPolarHBondContact O-CB 3.47Å; R33-R37 WeakPolarHBondContact O-CG 3.38Å; R33-R37 PolarHBondContact O-N 2.89Å
34	S	72.4	Confident	76.3	Confident	49 Å²	49	82.9 Å²	82.9	34%	0.343	45%	0.447	S	S	.	.	H	α-helix	trans	-68.8	-36.8	177.5	-60	0	0	0	0	111.2	S31 I32 R37	S31-S34 WeakPolarHBondContact O-CB 3.36Å; S31-S34 PolarHBondContact O-N 2.84Å; I32-S34 VanDerWaalsContact C-N 3.28Å; I32-S34 PolarHBondContact O-N 3.22Å; S34-R37 PolarHBondContact O-N 3.48Å
35	I	68.9	Low	76.7	Confident	39 Å²	39	80.3 Å²	80.3	20%	0.2	43%	0.43	C	S	.	.	H	α-helix	trans	-65.9	-39.9	172.9	-62.1	171.3	0	0	0	110.7	L18 P29 I32 R33 T38	L18-I35 HydrophobicContact CD1-CD1 3.75Å; L18-I35 HydrophobicContact CD2-CD1 3.78Å; L18-I35 HydrophobicContact CG-CD1 4.46Å; P29-I35 HydrophobicContact CB-CG1 4.06Å; P29-I35 HydrophobicContact CG-CD1 4.37Å; P29-I35 HydrophobicContact CG-CG1 3.71Å; I32-I35 HydrophobicContact CD1-CB 4.4Å; I32-I35 HydrophobicContact CD1-CD1 3.96Å; I32-I35 WeakPolarHBondContact O-CB 3.46Å; I32-I35 PolarHBondContact O-N 3.22Å; R33-I35 VanDerWaalsContact C-N 3.34Å; I35-T38 PolarHBondContact O-OG1 3.12Å
36	L	66.4	Low	77.1	Confident	53 Å²	53	82 Å²	82	28%	0.277	45%	0.446	S	S	.	.	H	α-helix	trans	-73.1	-31.2	178.7	-67.1	172.5	0	0	0	112.9	I32 R33 T38 C39 E432	I32-L36 VanDerWaalsContact O-CG 3.29Å; I32-L36 WeakPolarHBondContact O-CG 3.22Å; I32-L36 PolarHBondContact O-N 2.96Å; R33-L36 PolarHBondContact O-N 2.9Å; L36-T38 PolarHBondContact O-N 3.02Å; L36-T38 VanDerWaalsContact O-N 3.15Å; L36-C39 WeakPolarHBondContact O-CB 3.5Å; L36-C39 PolarHBondContact O-N 3.41Å; L36-E432 HydrophobicContact CD2-CB 4.44Å; L36-E432 HydrophobicContact CD2-CG 4.39Å
37	R	65.4	Low	77.4	Confident	214 Å²	214	79 Å²	79	81%	0.808	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.3	177.6	-87.5	-178.3	179.2	-173.2	0.4	113.9	R33 S34 C39	R33-R37 WeakPolarHBondContact O-CB 3.47Å; R33-R37 WeakPolarHBondContact O-CG 3.38Å; R33-R37 PolarHBondContact O-N 2.89Å; S34-R37 PolarHBondContact O-N 3.48Å; R37-C39 PolarHBondContact O-N 3.1Å
38	T	61.9	Low	77.4	Confident	92 Å²	92	75.3 Å²	75.3	56%	0.564	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-7.3	175.4	71.6	0	0	0	0	112.9	I35 L36 R439	I35-T38 PolarHBondContact O-OG1 3.12Å; L36-T38 PolarHBondContact O-N 3.02Å; L36-T38 VanDerWaalsContact O-N 3.15Å; T38-R439 PolarHBondContact OG1-NH1 2.91Å
39	C	64	Low	77.8	Confident	14 Å²	14	74 Å²	74	10%	0.095	41%	0.406	C	S	.	.	S	Bend	trans	-79.5	131.7	175.3	-65	0	0	0	0	110.3	L36 R37 S41 E432 S435	L36-C39 WeakPolarHBondContact O-CB 3.5Å; L36-C39 PolarHBondContact O-N 3.41Å; R37-C39 PolarHBondContact O-N 3.1Å; C39-S41 PolarHBondContact O-N 3.01Å; C39-E432 HydrophobicContact CB-CG 3.96Å; C39-S435 VanDerWaalsContact SG-CB 3.56Å; C39-S435 PolarHBondContact SG-OG 3.39Å
40	T	66.9	Low	78.5	Confident	125 Å²	125	72.8 Å²	72.8	77%	0.767	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-55.7	136.7	171.8	30	0	0	0	0	110.6	Q428	T40-Q428 PolarHBondContact O-NE2 2.89Å
41	S	74.9	Confident	79.2	Confident	75 Å²	75	70.6 Å²	70.6	52%	0.524	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-70.4	133.4	175.8	59.1	0	0	0	0	110.1	C39 Q43	C39-S41 PolarHBondContact O-N 3.01Å; S41-Q43 PolarHBondContact O-N 3.46Å; S41-Q43 PolarHBondContact O-NE2 3.35Å; S41-Q43 PolarHBondContact OG-NE2 3.13Å
42	V	85.2	Confident	80	Confident	19 Å²	19	69.6 Å²	69.6	12%	0.115	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-65.4	129.5	173	-64.6	0	0	0	0	110.4	Y53 L55 A427 Q428 A431	V42-Y53 HydrophobicContact CB-CD1 4.1Å; V42-Y53 HydrophobicContact CG2-CD1 3.69Å; V42-Y53 HydrophobicContact CG2-CE1 4.01Å; V42-L55 HydrophobicContact CG1-CD2 3.8Å; V42-A427 HydrophobicContact CB-CB 4.34Å; V42-A427 HydrophobicContact CG1-CB 4.3Å; V42-A427 HydrophobicContact CG2-CB 3.85Å; V42-Q428 HydrophobicContact CG2-CB 4.19Å; V42-Q428 VanDerWaalsContact N-OE1 3.08Å; V42-A431 HydrophobicContact CG1-CB 3.61Å
43	Q	89.2	Confident	81	Confident	138 Å²	138	68.4 Å²	68.4	65%	0.645	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-85.6	129.5	-177.4	-62.6	-57.2	-32.4	0	0	110.6	S41	S41-Q43 PolarHBondContact O-N 3.46Å; S41-Q43 PolarHBondContact O-NE2 3.35Å; S41-Q43 PolarHBondContact OG-NE2 3.13Å
44	P	93.3	Very high	82.1	Confident	71 Å²	71	64 Å²	64	46%	0.461	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	140.7	175.8	30.8	-32.4	0	0	0	111.4	V51 Y53	P44-V51 HydrophobicContact CB-CG1 3.52Å; P44-Y53 HydrophobicContact CB-CD1 4.41Å; P44-Y53 HydrophobicContact CB-CE1 3.65Å; P44-Y53 HydrophobicContact CG-CE1 4.49Å
45	K	93.4	Very high	83.2	Confident	79 Å²	79	63 Å²	63	34%	0.343	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	110.7	164.7	-175.6	173.9	178.3	178.3	0	108	I47 Y52 D132	K45-I47 HydrophobicContact CG-CG2 4.25Å; K45-I47 PolarHBondContact O-N 2.99Å; K45-Y52 HydrophobicContact CD-CD1 4.37Å; K45-Y52 PolarHBondContact N-O 3.18Å; K45-Y52 PolarHBondContact O-N 3.02Å; K45-D132 IonicContact NZ-OD1 3.88Å; K45-D132 PolarHBondContact NZ-OD1 3.13Å; K45-D132 IonicContact NZ-OD2 2.84Å; K45-D132 PolarHBondContact NZ-OD2 2.87Å
46	S	91.3	Very high	84.4	Confident	107 Å²	107	61.4 Å²	61.4	75%	0.748	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	125.6	175.1	-59.4	0	0	0	0	108.9
47	I	89.4	Confident	85.8	Confident	21 Å²	21	58.9 Å²	58.9	11%	0.108	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	166.2	176.9	72.4	168.3	0	0	0	109.6	K45 S49 G50 Y117 E128 I129	K45-I47 HydrophobicContact CG-CG2 4.25Å; K45-I47 PolarHBondContact O-N 2.99Å; I47-S49 PolarHBondContact O-N 3.17Å; I47-G50 WeakPolarHBondContact CG1-O 3.25Å; I47-G50 PolarHBondContact N-O 3.1Å; I47-G50 PolarHBondContact O-N 3.46Å; I47-G50 VanDerWaalsContact O-N 3.16Å; I47-Y117 HydrophobicContact CD1-CD2 3.31Å; I47-Y117 HydrophobicContact CD1-CE2 3.47Å; I47-Y117 VanDerWaalsContact CD1-CE2 3.47Å; I47-Y117 HydrophobicContact CD1-CG 4.42Å; I47-Y117 HydrophobicContact CG1-CD2 3.95Å; I47-Y117 HydrophobicContact CG1-CE2 3.8Å; I47-E128 HydrophobicContact CB-CB 4.4Å; I47-E128 WeakPolarHBondContact CB-OE2 3.48Å; I47-E128 HydrophobicContact CD1-CB 4.4Å; I47-E128 HydrophobicContact CG2-CB 4.37Å; I47-I129 HydrophobicContact CD1-CG2 3.39Å
48	S	81.1	Confident	87.3	Confident	79 Å²	79	52 Å²	52	55%	0.552	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-27	-168.3	54.8	0	0	0	0	115.6	E128	S48-E128 WeakPolarHBondContact CB-OE2 3.45Å; S48-E128 PolarHBondContact N-OE2 2.82Å; S48-E128 PolarHBondContact OG-OE1 3.35Å; S48-E128 PolarHBondContact OG-OE2 2.81Å
49	S	86.4	Confident	88.7	Confident	26 Å²	26	51 Å²	51	18%	0.182	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-1.3	-173.4	41.3	0	0	0	0	114.7	I47 Y117 P123 A124	I47-S49 PolarHBondContact O-N 3.17Å; S49-Y117 VanDerWaalsContact C-OH 3.28Å; S49-Y117 WeakPolarHBondContact CB-OH 3.42Å; S49-Y117 PolarHBondContact O-OH 3.04Å; S49-Y117 PolarHBondContact OG-OH 3.37Å; S49-P123 WeakPolarHBondContact OG-CA 3.49Å; S49-A124 PolarHBondContact OG-N 3.32Å
50	G	92	Very high	90.1	Very high	21 Å²	21	50.3 Å²	50.3	22%	0.216	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.1	-148.2	-175.1	0	0	0	0	0	113.2	I47	I47-G50 WeakPolarHBondContact CG1-O 3.25Å; I47-G50 PolarHBondContact N-O 3.1Å; I47-G50 PolarHBondContact O-N 3.46Å; I47-G50 VanDerWaalsContact O-N 3.16Å
51	V	94.1	Very high	91.5	Very high	44 Å²	44	44.4 Å²	44.4	27%	0.267	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.5	-178.4	-176.2	0	0	0	0	109.6	P44 Y53 Y117 G118	P44-V51 HydrophobicContact CB-CG1 3.52Å; V51-Y53 HydrophobicContact CB-CE2 4.25Å; V51-Y53 HydrophobicContact CG1-CD2 4.22Å; V51-Y53 HydrophobicContact CG1-CE1 4.46Å; V51-Y53 HydrophobicContact CG1-CE2 3.55Å; V51-Y117 CarbonylContact O-C 3.56Å; V51-Y117 WeakPolarHBondContact O-CA 3.41Å; V51-G118 PolarHBondContact N-O 3.42Å; V51-G118 PolarHBondContact O-N 3.42Å
52	Y	95.6	Very high	92.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	140	172.8	-177.6	-118.2	0	0	0	110.5	K45 H54 I116 I129	K45-Y52 HydrophobicContact CD-CD1 4.37Å; K45-Y52 PolarHBondContact N-O 3.18Å; K45-Y52 PolarHBondContact O-N 3.02Å; Y52-H54 HydrophobicContact CD1-CB 4.25Å; Y52-H54 HydrophobicContact CE1-CB 3.68Å; Y52-I116 WeakPolarHBondContact CD2-O 3.43Å; Y52-I129 HydrophobicContact CD2-CB 4.13Å; Y52-I129 HydrophobicContact CD2-CG2 4.13Å; Y52-I129 HydrophobicContact CE2-CB 4.2Å; Y52-I129 HydrophobicContact CG-CG2 4.47Å; Y52-I129 PolarHBondContact OH-O 2.87Å; Y52-I129 VanDerWaalsContact OH-O 3.12Å
53	Y	95.9	Very high	92.6	Very high	18 Å²	18	45 Å²	45	7%	0.071	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	112.3	172	-65.6	-88.3	0	0	0	107.9	V42 P44 V51 G115 I116 A423 K424 A427	V42-Y53 HydrophobicContact CB-CD1 4.1Å; V42-Y53 HydrophobicContact CG2-CD1 3.69Å; V42-Y53 HydrophobicContact CG2-CE1 4.01Å; P44-Y53 HydrophobicContact CB-CD1 4.41Å; P44-Y53 HydrophobicContact CB-CE1 3.65Å; P44-Y53 HydrophobicContact CG-CE1 4.49Å; V51-Y53 HydrophobicContact CB-CE2 4.25Å; V51-Y53 HydrophobicContact CG1-CD2 4.22Å; V51-Y53 HydrophobicContact CG1-CE1 4.46Å; V51-Y53 HydrophobicContact CG1-CE2 3.55Å; Y53-G115 CarbonylContact O-C 3.47Å; Y53-G115 WeakPolarHBondContact O-CA 3.37Å; Y53-I116 PolarHBondContact N-O 3.38Å; Y53-I116 PolarHBondContact O-N 3.08Å; Y53-A423 HydrophobicContact CD2-CB 3.93Å; Y53-A423 HydrophobicContact CE2-CB 3.99Å; Y53-K424 HydrophobicContact CE1-CB 4.32Å; Y53-K424 HydrophobicContact CE1-CG 4.16Å; Y53-K424 HydrophobicContact CE2-CB 3.97Å; Y53-K424 WeakPolarHBondContact OH-CB 3.43Å; Y53-A427 HydrophobicContact CD1-CB 4.31Å; Y53-A427 HydrophobicContact CD2-CB 4.4Å; Y53-A427 HydrophobicContact CG-CB 3.86Å
54	H	96.1	Very high	92.8	Very high	60 Å²	60	40 Å²	40	28%	0.278	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.9	175.5	-171.9	61.2	0	0	0	109.7	Y52 G56 E136	Y52-H54 HydrophobicContact CD1-CB 4.25Å; Y52-H54 HydrophobicContact CE1-CB 3.68Å; H54-G56 WeakPolarHBondContact NE2-CA 3.14Å; H54-E136 IonicContact CE1-OE1 3.34Å; H54-E136 PolarHBondContact CE1-OE1 3.35Å; H54-E136 IonicContact NE2-OE1 2.85Å; H54-E136 PolarHBondContact NE2-OE1 3.15Å
55	L	95	Very high	92.7	Very high	28 Å²	28	36.6 Å²	36.6	15%	0.147	21%	0.205	C	C	.	.			trans	-106.9	-9.8	-175.9	-60.7	164.5	0	0	0	112.4	V42 M113 I114 A427 Y430	V42-L55 HydrophobicContact CG1-CD2 3.8Å; L55-M113 HydrophobicContact CD1-CB 3.84Å; L55-M113 HydrophobicContact CD1-CG 3.58Å; L55-M113 HydrophobicContact CD1-SD 3.44Å; L55-M113 WeakPolarHBondContact CD1-SD 3.3Å; L55-I114 WeakPolarHBondContact CA-O 3.21Å; L55-I114 WeakPolarHBondContact CB-O 3.42Å; L55-I114 PolarHBondContact N-O 3Å; L55-A427 HydrophobicContact CD2-CB 4.19Å; L55-Y430 HydrophobicContact CB-CD1 4.37Å; L55-Y430 HydrophobicContact CB-CE1 4.37Å; L55-Y430 HydrophobicContact CD1-CD1 3.59Å; L55-Y430 HydrophobicContact CD1-CE1 4.16Å; L55-Y430 HydrophobicContact CD1-CG 4.09Å; L55-Y430 HydrophobicContact CD2-CD1 4.25Å; L55-Y430 HydrophobicContact CG-CD1 4.28Å
56	G	94.1	Very high	92.6	Very high	5 Å²	5	35.5 Å²	35.5	5%	0.052	20%	0.201	C	C	.	.			trans	89.9	117.7	175.8	0	0	0	0	0	113.2	H54 N60 I114	H54-G56 WeakPolarHBondContact NE2-CA 3.14Å; G56-N60 PolarHBondContact O-ND2 2.83Å; G56-I114 PolarHBondContact N-O 3.48Å
57	L	97.2	Very high	92.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.4	-50.1	169.6	172.6	60.5	0	0	0	110.4	T59 N60 L61 L79 F112 I114 T133 E136 I137 M140	L57-T59 VanDerWaalsContact C-N 3.31Å; L57-T59 PolarHBondContact O-N 2.84Å; L57-N60 PolarHBondContact O-N 2.88Å; L57-N60 VanDerWaalsContact O-N 3.09Å; L57-L61 HydrophobicContact CD1-CD1 3.95Å; L57-L61 HydrophobicContact CD1-CD2 4.26Å; L57-L61 HydrophobicContact CD1-CG 3.87Å; L57-L61 HydrophobicContact CG-CD1 4.01Å; L57-L61 HydrophobicContact CG-CG 4.28Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 3.23Å; L57-L79 HydrophobicContact CD1-CD1 4.33Å; L57-L79 HydrophobicContact CD1-CD2 3.85Å; L57-L79 HydrophobicContact CD2-CD2 3.81Å; L57-L79 HydrophobicContact CG-CD2 4.43Å; L57-F112 HydrophobicContact CD1-CE2 3.92Å; L57-F112 HydrophobicContact CD1-CZ 4.28Å; L57-I114 HydrophobicContact CB-CG1 4.35Å; L57-I114 HydrophobicContact CB-CG2 3.83Å; L57-I114 HydrophobicContact CD1-CD1 3.76Å; L57-I114 HydrophobicContact CD1-CG1 3.96Å; L57-T133 HydrophobicContact CD2-CG2 4.44Å; L57-E136 HydrophobicContact CB-CB 4.37Å; L57-E136 WeakPolarHBondContact CB-OE1 3.45Å; L57-E136 VanDerWaalsContact N-CD 3.32Å; L57-E136 PolarHBondContact N-OE1 3.47Å; L57-E136 PolarHBondContact N-OE2 3.27Å; L57-I137 HydrophobicContact CD2-CD1 4.22Å; L57-I137 HydrophobicContact CD2-CG1 3.44Å; L57-I137 VanDerWaalsContact CD2-CG1 3.44Å; L57-M140 HydrophobicContact CD2-CE 3.59Å; L57-M140 HydrophobicContact CG-CE 3.81Å
58	K	95.9	Very high	92.5	Very high	69 Å²	69	32.3 Å²	32.3	30%	0.3	18%	0.175	S	C	.	.	H	α-helix	trans	-56.5	-45	-176.6	-173.5	175.5	-176.3	173.3	0	111.4	N60 L61 L62 E136 E139 M140 L145	K58-N60 PolarHBondContact O-N 2.87Å; K58-L61 PolarHBondContact O-N 2.81Å; K58-L62 HydrophobicContact CG-CD1 4.23Å; K58-L62 WeakPolarHBondContact O-CG 3.45Å; K58-L62 PolarHBondContact O-N 2.92Å; K58-E136 VanDerWaalsContact CB-OE2 3.28Å; K58-E136 WeakPolarHBondContact CB-OE2 3.43Å; K58-E136 PolarHBondContact N-OE2 2.83Å; K58-E139 IonicContact NZ-OE1 3.28Å; K58-E139 PolarHBondContact NZ-OE1 2.91Å; K58-M140 HydrophobicContact CB-SD 4.05Å; K58-M140 HydrophobicContact CG-SD 4.01Å; K58-L145 HydrophobicContact CD-CD1 4.28Å; K58-L145 HydrophobicContact CG-CD1 3.6Å
59	T	92.1	Very high	93	Very high	71 Å²	71	29.4 Å²	29.4	44%	0.436	15%	0.153	S	C	.	.	H	α-helix	trans	-61	-43	177.4	-53.5	0	0	0	0	112	L57 R63	L57-T59 VanDerWaalsContact C-N 3.31Å; L57-T59 PolarHBondContact O-N 2.84Å; T59-R63 WeakPolarHBondContact O-CG 3.41Å; T59-R63 PolarHBondContact O-N 2.88Å
60	N	93.7	Very high	93.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-42.5	177.2	-76.1	-54.8	0	0	0	111.8	G56 L57 K58 R63 Y64 F112 M113 Y430	G56-N60 PolarHBondContact O-ND2 2.83Å; L57-N60 PolarHBondContact O-N 2.88Å; L57-N60 VanDerWaalsContact O-N 3.09Å; K58-N60 PolarHBondContact O-N 2.87Å; N60-R63 PolarHBondContact O-N 2.98Å; N60-R63 PolarHBondContact OD1-NH1 3.3Å; N60-R63 VanDerWaalsContact OD1-NH1 3.14Å; N60-Y64 VanDerWaalsContact O-CD2 3.27Å; N60-Y64 WeakPolarHBondContact O-CD2 3.34Å; N60-Y64 PolarHBondContact O-N 2.8Å; N60-F112 HydrophobicContact CB-CD2 3.65Å; N60-F112 HydrophobicContact CB-CE2 3.82Å; N60-F112 HydrophobicContact CB-CG 4.3Å; N60-M113 PolarHBondContact ND2-O 3.42Å; N60-Y430 VanDerWaalsContact CG-OH 3.29Å; N60-Y430 PolarHBondContact ND2-OH 3.4Å; N60-Y430 PolarHBondContact OD1-OH 2.72Å
61	L	95.7	Very high	92.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-42.4	177.8	-66.1	-176.6	0	0	0	112.2	L57 K58 R63 Y64 V65 L79 I103 F112 M140 L145 I156	L57-L61 HydrophobicContact CD1-CD1 3.95Å; L57-L61 HydrophobicContact CD1-CD2 4.26Å; L57-L61 HydrophobicContact CD1-CG 3.87Å; L57-L61 HydrophobicContact CG-CD1 4.01Å; L57-L61 HydrophobicContact CG-CG 4.28Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 3.23Å; K58-L61 PolarHBondContact O-N 2.81Å; L61-R63 VanDerWaalsContact C-N 3.28Å; L61-R63 PolarHBondContact O-N 2.74Å; L61-Y64 PolarHBondContact O-N 3.43Å; L61-Y64 VanDerWaalsContact O-N 3.16Å; L61-V65 WeakPolarHBondContact O-CG2 3.37Å; L61-V65 PolarHBondContact O-N 3.31Å; L61-L79 HydrophobicContact CD2-CD1 4.32Å; L61-I103 HydrophobicContact CD2-CD1 3.83Å; L61-I103 HydrophobicContact CD2-CG1 3.77Å; L61-F112 HydrophobicContact CD2-CZ 3.82Å; L61-M140 HydrophobicContact CD1-CE 3.76Å; L61-M140 HydrophobicContact CD1-SD 3.92Å; L61-L145 HydrophobicContact CB-CD2 3.56Å; L61-L145 HydrophobicContact CD1-CD2 4.47Å; L61-I156 HydrophobicContact CD1-CD1 4.34Å
62	L	93.6	Very high	92.5	Very high	41 Å²	41	35.8 Å²	35.8	22%	0.215	19%	0.191	C	C	.	.	H	α-helix	trans	-57.4	-41.1	178	-78.2	169.7	0	0	0	112.3	K58 Y64 V65 E66 L145 L146	K58-L62 HydrophobicContact CG-CD1 4.23Å; K58-L62 WeakPolarHBondContact O-CG 3.45Å; K58-L62 PolarHBondContact O-N 2.92Å; L62-Y64 PolarHBondContact O-N 2.81Å; L62-V65 PolarHBondContact O-N 2.95Å; L62-E66 WeakPolarHBondContact O-CB 3.49Å; L62-E66 WeakPolarHBondContact O-CG 3.01Å; L62-E66 PolarHBondContact O-N 2.93Å; L62-L145 HydrophobicContact CD1-CD1 4.28Å; L62-L145 HydrophobicContact CD2-CD1 3.65Å; L62-L145 HydrophobicContact CD2-CD2 4Å; L62-L145 HydrophobicContact CD2-CG 3.67Å; L62-L145 HydrophobicContact CG-CD1 3.77Å; L62-L145 HydrophobicContact CG-CD2 4.09Å; L62-L145 HydrophobicContact CG-CG 4.12Å; L62-L146 WeakPolarHBondContact CD2-O 3.47Å
63	R	90.3	Very high	92.3	Very high	65 Å²	65	41.2 Å²	41.2	25%	0.245	22%	0.22	C	C	.	.	H	α-helix	trans	-56	-49.8	175.8	-70.5	172.2	174.2	130.1	6.4	111.8	T59 N60 L61 L67 D438	T59-R63 WeakPolarHBondContact O-CG 3.41Å; T59-R63 PolarHBondContact O-N 2.88Å; N60-R63 PolarHBondContact O-N 2.98Å; N60-R63 PolarHBondContact OD1-NH1 3.3Å; N60-R63 VanDerWaalsContact OD1-NH1 3.14Å; L61-R63 VanDerWaalsContact C-N 3.28Å; L61-R63 PolarHBondContact O-N 2.74Å; R63-L67 VanDerWaalsContact O-CB 3.23Å; R63-L67 WeakPolarHBondContact O-CB 3.39Å; R63-L67 PolarHBondContact O-N 3.48Å; R63-D438 WeakPolarHBondContact CD-OD1 3.07Å; R63-D438 IonicContact CZ-OD1 3.83Å; R63-D438 IonicContact CZ-OD2 2.94Å; R63-D438 IonicContact NE-OD1 3.72Å; R63-D438 PolarHBondContact NE-OD1 3.36Å; R63-D438 IonicContact NE-OD2 2.95Å; R63-D438 PolarHBondContact NE-OD2 3.43Å; R63-D438 IonicContact NH2-OD1 2.67Å; R63-D438 IonicContact NH2-OD2 2.95Å; R63-D438 PolarHBondContact NH2-OD2 3.46Å
64	Y	92	Very high	92.3	Very high	32 Å²	32	41 Å²	41	13%	0.125	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-42.4	178.1	-74.1	-73.1	0	0	0	112	N60 L61 L62 L67 W68 I103 F112	N60-Y64 VanDerWaalsContact O-CD2 3.27Å; N60-Y64 WeakPolarHBondContact O-CD2 3.34Å; N60-Y64 PolarHBondContact O-N 2.8Å; L61-Y64 PolarHBondContact O-N 3.43Å; L61-Y64 VanDerWaalsContact O-N 3.16Å; L62-Y64 PolarHBondContact O-N 2.81Å; Y64-L67 PolarHBondContact O-N 3.47Å; Y64-W68 AromaticContact CD1-CE2 3.87Å; Y64-W68 HydrophobicContact CD1-CH2 4.27Å; Y64-W68 AromaticContact CD1-CZ2 3.61Å; Y64-W68 HydrophobicContact CD1-CZ2 3.61Å; Y64-W68 HydrophobicContact CE1-CZ2 4.27Å; Y64-W68 HydrophobicContact CG-CZ2 4.34Å; Y64-W68 WeakPolarHBondContact O-CB 3.23Å; Y64-W68 PolarHBondContact O-N 3.35Å; Y64-I103 HydrophobicContact CD2-CD1 3.89Å; Y64-I103 HydrophobicContact CG-CD1 3.81Å; Y64-F112 HydrophobicContact CD2-CD1 4.44Å; Y64-F112 HydrophobicContact CD2-CE1 4.41Å; Y64-F112 AromaticContact CE2-CD1 3.6Å; Y64-F112 HydrophobicContact CE2-CD1 3.6Å; Y64-F112 AromaticContact CE2-CE1 3.99Å; Y64-F112 HydrophobicContact CE2-CE1 3.99Å; Y64-F112 HydrophobicContact CE2-CG 4.29Å
65	V	92.8	Very high	92.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-55.1	179.7	166.7	0	0	0	0	110.9	L61 L62 L67 W68 L69 F74 L77 L145 I154	L61-V65 WeakPolarHBondContact O-CG2 3.37Å; L61-V65 PolarHBondContact O-N 3.31Å; L62-V65 PolarHBondContact O-N 2.95Å; V65-L67 VanDerWaalsContact C-N 3.27Å; V65-L67 PolarHBondContact O-N 2.87Å; V65-W68 PolarHBondContact O-N 3.27Å; V65-L69 HydrophobicContact CG1-CD1 3.63Å; V65-L69 HydrophobicContact CG1-CG 4.2Å; V65-L69 WeakPolarHBondContact O-CB 3.42Å; V65-L69 VanDerWaalsContact O-CG 3.28Å; V65-L69 WeakPolarHBondContact O-CG 3.45Å; V65-L69 PolarHBondContact O-N 2.77Å; V65-F74 HydrophobicContact CG1-CZ 4.39Å; V65-F74 HydrophobicContact CG2-CE2 4.4Å; V65-F74 HydrophobicContact CG2-CZ 4.46Å; V65-L77 HydrophobicContact CG2-CD1 3.42Å; V65-L77 VanDerWaalsContact CG2-CD1 3.42Å; V65-L77 HydrophobicContact CG2-CG 4.43Å; V65-L145 HydrophobicContact CG2-CD2 4.12Å; V65-I154 HydrophobicContact CG1-CG1 3.76Å; V65-I154 HydrophobicContact CG2-CG1 4.34Å
66	E	91.1	Very high	92.5	Very high	56 Å²	56	44.8 Å²	44.8	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-65	-35.5	-175.6	-68.8	-171.4	158.5	0	0	111.8	L62 C70 S147 R149 F150	L62-E66 WeakPolarHBondContact O-CB 3.49Å; L62-E66 WeakPolarHBondContact O-CG 3.01Å; L62-E66 PolarHBondContact O-N 2.93Å; E66-C70 PolarHBondContact O-SG 3.49Å; E66-S147 WeakPolarHBondContact CG-OG 3.21Å; E66-S147 PolarHBondContact OE1-OG 3.08Å; E66-R149 HydrophobicContact CG-CB 4.48Å; E66-F150 HydrophobicContact CB-CE2 4.29Å; E66-F150 VanDerWaalsContact O-CE2 3.26Å; E66-F150 WeakPolarHBondContact O-CE2 3.22Å
67	L	86.9	Confident	92.6	Very high	54 Å²	54	44.7 Å²	44.7	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-67.7	-47.7	176.1	-176.1	61.2	0	0	0	112	R63 Y64 V65 C70 D443	R63-L67 VanDerWaalsContact O-CB 3.23Å; R63-L67 WeakPolarHBondContact O-CB 3.39Å; R63-L67 PolarHBondContact O-N 3.48Å; Y64-L67 PolarHBondContact O-N 3.47Å; V65-L67 VanDerWaalsContact C-N 3.27Å; V65-L67 PolarHBondContact O-N 2.87Å; L67-C70 VanDerWaalsContact O-CB 3.28Å; L67-C70 WeakPolarHBondContact O-CB 3.33Å; L67-C70 PolarHBondContact O-N 2.98Å; L67-D443 HydrophobicContact CD2-CB 3.55Å
68	W	90.9	Very high	92.7	Very high	8 Å²	8	48.1 Å²	48.1	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-73.1	-35.2	-175.8	-66.2	-9.6	0	0	0	112.8	Y64 V65 C70 T71 C72 F74 L77 I103 R107	Y64-W68 AromaticContact CD1-CE2 3.87Å; Y64-W68 HydrophobicContact CD1-CH2 4.27Å; Y64-W68 AromaticContact CD1-CZ2 3.61Å; Y64-W68 HydrophobicContact CD1-CZ2 3.61Å; Y64-W68 HydrophobicContact CE1-CZ2 4.27Å; Y64-W68 HydrophobicContact CG-CZ2 4.34Å; Y64-W68 WeakPolarHBondContact O-CB 3.23Å; Y64-W68 PolarHBondContact O-N 3.35Å; V65-W68 PolarHBondContact O-N 3.27Å; W68-C70 PolarHBondContact O-N 2.98Å; W68-T71 PolarHBondContact O-N 3.08Å; W68-T71 PolarHBondContact O-OG1 3.25Å; W68-C72 PolarHBondContact O-N 2.9Å; W68-F74 HydrophobicContact CB-CE1 3.72Å; W68-F74 HydrophobicContact CB-CZ 4.19Å; W68-L77 HydrophobicContact CZ3-CD2 4.25Å; W68-I103 HydrophobicContact CH2-CB 4.11Å; W68-I103 HydrophobicContact CH2-CD1 4.01Å; W68-I103 HydrophobicContact CH2-CG2 4.06Å; W68-I103 HydrophobicContact CZ3-CB 4.34Å; W68-I103 HydrophobicContact CZ3-CD1 4Å; W68-I103 HydrophobicContact CZ3-CG2 3.84Å; W68-R107 HydrophobicContact CD2-CB 4.31Å; W68-R107 HydrophobicContact CE3-CB 4.01Å; W68-R107 HydrophobicContact CE3-CG 4.46Å; W68-R107 HydrophobicContact CH2-CB 3.71Å; W68-R107 HydrophobicContact CZ2-CB 4.04Å; W68-R107 HydrophobicContact CZ3-CB 3.7Å
69	L	91.2	Very high	92.8	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.089	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-22.3	173.8	-76.5	178.6	0	0	0	112.8	V65 T71 C72 F74 F150 K152 I154	V65-L69 HydrophobicContact CG1-CD1 3.63Å; V65-L69 HydrophobicContact CG1-CG 4.2Å; V65-L69 WeakPolarHBondContact O-CB 3.42Å; V65-L69 VanDerWaalsContact O-CG 3.28Å; V65-L69 WeakPolarHBondContact O-CG 3.45Å; V65-L69 PolarHBondContact O-N 2.77Å; L69-T71 PolarHBondContact O-N 2.78Å; L69-C72 WeakPolarHBondContact CA-O 3.48Å; L69-F74 HydrophobicContact CD2-CD1 3.91Å; L69-F74 HydrophobicContact CD2-CE1 3.61Å; L69-F74 HydrophobicContact CD2-CG 4.49Å; L69-F74 HydrophobicContact CD2-CZ 3.97Å; L69-F74 HydrophobicContact CG-CE1 3.78Å; L69-F74 HydrophobicContact CG-CZ 3.86Å; L69-F150 HydrophobicContact CB-CD1 4.27Å; L69-F150 HydrophobicContact CB-CD2 3.86Å; L69-F150 HydrophobicContact CB-CE1 4.2Å; L69-F150 HydrophobicContact CB-CE2 3.81Å; L69-F150 HydrophobicContact CB-CG 4.1Å; L69-F150 HydrophobicContact CB-CZ 3.98Å; L69-F150 HydrophobicContact CD1-CB 3.98Å; L69-F150 HydrophobicContact CD1-CD2 3.81Å; L69-F150 HydrophobicContact CD1-CG 3.93Å; L69-K152 HydrophobicContact CD2-CD 4.38Å; L69-I154 HydrophobicContact CD1-CD1 4.42Å
70	C	88.7	Confident	93.1	Very high	67 Å²	67	42.1 Å²	42.1	45%	0.453	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.4	171.2	-61.8	0	0	0	0	113.1	E66 L67 W68	E66-C70 PolarHBondContact O-SG 3.49Å; L67-C70 VanDerWaalsContact O-CB 3.28Å; L67-C70 WeakPolarHBondContact O-CB 3.33Å; L67-C70 PolarHBondContact O-N 2.98Å; W68-C70 PolarHBondContact O-N 2.98Å
71	T	85.9	Confident	93.3	Very high	99 Å²	99	42.1 Å²	42.1	61%	0.607	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-25.2	-170.8	64.1	0	0	0	0	114.3	W68 L69 R107	W68-T71 PolarHBondContact O-N 3.08Å; W68-T71 PolarHBondContact O-OG1 3.25Å; L69-T71 PolarHBondContact O-N 2.78Å; T71-R107 PolarHBondContact OG1-NH1 3.16Å; T71-R107 PolarHBondContact OG1-NH2 3.38Å
72	C	87.5	Confident	93.4	Very high	60 Å²	60	42.1 Å²	42.1	41%	0.405	23%	0.228	S	C	.	.			trans	-159.2	135.9	-177.1	178.9	0	0	0	0	109.5	W68 L69 F74	W68-C72 PolarHBondContact O-N 2.9Å; L69-C72 WeakPolarHBondContact CA-O 3.48Å; C72-F74 WeakPolarHBondContact O-CD1 3.41Å
73	D	92.8	Very high	93.5	Very high	114 Å²	114	40.4 Å²	40.4	61%	0.61	22%	0.22	S	C	*	.			trans	-80.8	143.1	176.3	-163.3	33.5	0	0	0	111.7	K152	D73-K152 IonicContact OD1-NZ 2.85Å; D73-K152 PolarHBondContact OD1-NZ 2.99Å; D73-K152 IonicContact OD2-NZ 2.98Å; D73-K152 PolarHBondContact OD2-NZ 3.39Å
74	F	95.7	Very high	93.6	Very high	14 Å²	14	38.3 Å²	38.3	6%	0.061	21%	0.213	C	C	.	.			trans	-158.8	156.5	175.4	58.5	-87	0	0	0	110.5	V65 W68 L69 C72 L77 P106 K152 I154	V65-F74 HydrophobicContact CG1-CZ 4.39Å; V65-F74 HydrophobicContact CG2-CE2 4.4Å; V65-F74 HydrophobicContact CG2-CZ 4.46Å; W68-F74 HydrophobicContact CB-CE1 3.72Å; W68-F74 HydrophobicContact CB-CZ 4.19Å; L69-F74 HydrophobicContact CD2-CD1 3.91Å; L69-F74 HydrophobicContact CD2-CE1 3.61Å; L69-F74 HydrophobicContact CD2-CG 4.49Å; L69-F74 HydrophobicContact CD2-CZ 3.97Å; L69-F74 HydrophobicContact CG-CE1 3.78Å; L69-F74 HydrophobicContact CG-CZ 3.86Å; C72-F74 WeakPolarHBondContact O-CD1 3.41Å; F74-L77 HydrophobicContact CD2-CD2 4.15Å; F74-L77 HydrophobicContact CE2-CD2 3.71Å; F74-L77 HydrophobicContact CE2-CG 4.14Å; F74-L77 HydrophobicContact CZ-CD2 4.46Å; F74-P106 HydrophobicContact CB-CG 3.85Å; F74-P106 HydrophobicContact CD1-CG 4.27Å; F74-P106 HydrophobicContact CD2-CG 4.16Å; F74-P106 HydrophobicContact CG-CG 3.83Å; F74-K152 WeakPolarHBondContact O-CE 3.33Å; F74-K152 PolarHBondContact O-NZ 3.19Å; F74-I154 HydrophobicContact CD2-CD1 4.19Å; F74-I154 HydrophobicContact CD2-CG2 4.31Å; F74-I154 HydrophobicContact CE2-CD1 4Å; F74-I154 HydrophobicContact CE2-CG1 4.32Å; F74-I154 HydrophobicContact CE2-CG2 4.02Å; F74-I154 VanDerWaalsContact O-CD1 3.27Å; F74-I154 WeakPolarHBondContact O-CD1 3.17Å
75	D	96.7	Very high	93.5	Very high	105 Å²	105	38.3 Å²	38.3	56%	0.561	22%	0.223	S	C	*	.	S	Bend	trans	-114.4	-9.4	-174.2	-55.8	-59	0	0	0	113.8	K152 A155	D75-K152 WeakPolarHBondContact OD1-CE 3.48Å; D75-K152 IonicContact OD1-NZ 2.65Å; D75-K152 PolarHBondContact OD1-NZ 3.21Å; D75-A155 PolarHBondContact O-N 2.77Å
76	S	97.5	Very high	93.2	Very high	62 Å²	62	38.9 Å²	38.9	43%	0.434	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.6	-177.4	65.3	0	0	0	0	113.2	P106 A155	S76-P106 WeakPolarHBondContact O-CD 3.4Å; S76-A155 CarbonylContact C-O 3.59Å; S76-A155 WeakPolarHBondContact CA-O 3.39Å
77	L	97.3	Very high	92.7	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.6	169.6	-65.4	176.9	0	0	0	110.7	V65 W68 F74 I103 A105 I154 A155 I156 K157	V65-L77 HydrophobicContact CG2-CD1 3.42Å; V65-L77 VanDerWaalsContact CG2-CD1 3.42Å; V65-L77 HydrophobicContact CG2-CG 4.43Å; W68-L77 HydrophobicContact CZ3-CD2 4.25Å; F74-L77 HydrophobicContact CD2-CD2 4.15Å; F74-L77 HydrophobicContact CE2-CD2 3.71Å; F74-L77 HydrophobicContact CE2-CG 4.14Å; F74-L77 HydrophobicContact CZ-CD2 4.46Å; L77-I103 HydrophobicContact CB-CG2 4.49Å; L77-I103 HydrophobicContact CD1-CD1 4.24Å; L77-I103 HydrophobicContact CD2-CG2 3.86Å; L77-A105 WeakPolarHBondContact CA-O 3.35Å; L77-I154 HydrophobicContact CB-CG2 4.46Å; L77-I154 HydrophobicContact CD1-CG2 4.16Å; L77-I154 HydrophobicContact CG-CG2 3.75Å; L77-A155 PolarHBondContact N-O 2.75Å; L77-I156 HydrophobicContact CB-CD1 3.85Å; L77-I156 HydrophobicContact CD1-CD1 3.88Å; L77-I156 HydrophobicContact CG-CD1 4.22Å; L77-K157 PolarHBondContact O-N 3.38Å
78	Q	97.9	Very high	91.9	Very high	72 Å²	72	38.8 Å²	38.8	34%	0.336	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.4	168.6	-64	-169.2	35.2	0	0	110.1	I103 V104 A105 K157 S159	Q78-I103 CarbonylContact O-C 3.59Å; Q78-I103 WeakPolarHBondContact O-CA 3.15Å; Q78-V104 HydrophobicContact CB-CG2 3.73Å; Q78-V104 WeakPolarHBondContact O-CG2 3.37Å; Q78-V104 PolarHBondContact O-N 2.76Å; Q78-A105 HydrophobicContact CB-CB 3.92Å; Q78-A105 HydrophobicContact CG-CB 3.97Å; Q78-A105 PolarHBondContact N-O 2.77Å; Q78-K157 WeakPolarHBondContact CA-O 3.4Å; Q78-S159 PolarHBondContact OE1-OG 2.92Å
79	L	98.2	Very high	90.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.2	-174.2	177.9	66.6	0	0	0	110.8	L57 L61 I81 F112 K157 L158 S159	L57-L79 HydrophobicContact CD1-CD1 4.33Å; L57-L79 HydrophobicContact CD1-CD2 3.85Å; L57-L79 HydrophobicContact CD2-CD2 3.81Å; L57-L79 HydrophobicContact CG-CD2 4.43Å; L61-L79 HydrophobicContact CD2-CD1 4.32Å; L79-I81 HydrophobicContact CD2-CD1 4.08Å; L79-I81 HydrophobicContact CD2-CG1 4Å; L79-I81 HydrophobicContact CG-CG1 4.13Å; L79-F112 HydrophobicContact CD1-CZ 4.07Å; L79-K157 PolarHBondContact N-O 3.33Å; L79-L158 HydrophobicContact CD2-CD1 4.44Å; L79-L158 HydrophobicContact CG-CD1 4.44Å; L79-S159 PolarHBondContact O-N 3.28Å
80	Y	98.5	Very high	88.9	Confident	13 Å²	13	52.4 Å²	52.4	5%	0.051	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.7	159.4	-74.4	0.8	0	0	0	110.2	G101 R102 V104 S159 A160 I162 S399 F400	Y80-G101 CarbonylContact O-C 3.49Å; Y80-G101 WeakPolarHBondContact O-CA 3.4Å; Y80-R102 PolarHBondContact N-O 3.28Å; Y80-R102 PolarHBondContact O-N 2.87Å; Y80-V104 HydrophobicContact CD1-CG1 4.2Å; Y80-V104 HydrophobicContact CD1-CG2 3.97Å; Y80-V104 HydrophobicContact CD2-CG1 3.6Å; Y80-V104 HydrophobicContact CE1-CG2 3.93Å; Y80-V104 HydrophobicContact CE2-CG1 3.92Å; Y80-V104 HydrophobicContact CG-CG1 3.75Å; Y80-V104 HydrophobicContact CG-CG2 4.37Å; Y80-S159 VanDerWaalsContact CE1-CB 3.49Å; Y80-A160 WeakPolarHBondContact CA-O 3.47Å; Y80-A160 HydrophobicContact CD1-CB 3.48Å; Y80-A160 VanDerWaalsContact CD1-CB 3.48Å; Y80-A160 HydrophobicContact CD2-CB 4.46Å; Y80-A160 HydrophobicContact CE1-CB 3.37Å; Y80-A160 HydrophobicContact CE2-CB 4.38Å; Y80-A160 HydrophobicContact CG-CB 4.04Å; Y80-I162 HydrophobicContact CD2-CD1 4.41Å; Y80-I162 HydrophobicContact CD2-CG1 4.32Å; Y80-S399 WeakPolarHBondContact CE2-O 3.4Å; Y80-F400 HydrophobicContact CE2-CB 4.29Å
81	I	98.5	Very high	87.5	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	145.6	171.2	-66.9	178.4	0	0	0	108.6	L79 V83 V99 L100 I114 T133 I137 L158 A160 V161 I162	L79-I81 HydrophobicContact CD2-CD1 4.08Å; L79-I81 HydrophobicContact CD2-CG1 4Å; L79-I81 HydrophobicContact CG-CG1 4.13Å; I81-V83 HydrophobicContact CG2-CG2 4.18Å; I81-V99 HydrophobicContact CG2-CG1 4.12Å; I81-L100 CarbonylContact C-O 3.23Å; I81-L100 VanDerWaalsContact CA-O 3.28Å; I81-L100 WeakPolarHBondContact CA-O 3.46Å; I81-I114 HydrophobicContact CG1-CD1 4.31Å; I81-T133 HydrophobicContact CD1-CG2 4.15Å; I81-I137 HydrophobicContact CD1-CD1 3.27Å; I81-I137 HydrophobicContact CD1-CG1 4.29Å; I81-L158 HydrophobicContact CB-CD1 4.3Å; I81-L158 HydrophobicContact CD1-CD1 3.68Å; I81-L158 HydrophobicContact CG1-CD1 3.78Å; I81-A160 PolarHBondContact N-O 3.22Å; I81-V161 CarbonylContact O-C 3.56Å; I81-V161 VanDerWaalsContact O-CA 3.3Å; I81-V161 WeakPolarHBondContact O-CA 3.42Å; I81-I162 PolarHBondContact O-N 2.82Å
82	N	98.2	Very high	86.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.1	169.2	164.9	-100.4	0	0	0	110.4	L100 I162 F405 M409	N82-L100 HydrophobicContact CB-CB 4.26Å; N82-L100 PolarHBondContact N-O 3.32Å; N82-L100 PolarHBondContact O-N 3.26Å; N82-I162 VanDerWaalsContact CA-O 3.27Å; N82-I162 WeakPolarHBondContact CA-O 3.03Å; N82-I162 HydrophobicContact CB-CB 4.41Å; N82-I162 PolarHBondContact ND2-O 3.38Å; N82-F405 HydrophobicContact CB-CB 4Å; N82-F405 HydrophobicContact CB-CD1 3.31Å; N82-F405 HydrophobicContact CB-CD2 3.77Å; N82-F405 HydrophobicContact CB-CE1 3.58Å; N82-F405 HydrophobicContact CB-CE2 4.01Å; N82-F405 HydrophobicContact CB-CG 3.41Å; N82-F405 VanDerWaalsContact CB-CG 3.41Å; N82-F405 HydrophobicContact CB-CZ 3.92Å; N82-F405 WeakPolarHBondContact OD1-CB 3.35Å; N82-M409 WeakPolarHBondContact OD1-CE 3.41Å
83	V	95.7	Very high	85.5	Confident	6 Å²	6	52.2 Å²	52.2	4%	0.036	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	119.8	173.7	-176	0	0	0	0	107.7	I81 W97 V99 F126 I162 C163 A167 V171	I81-V83 HydrophobicContact CG2-CG2 4.18Å; V83-W97 HydrophobicContact CG1-CE3 4.19Å; V83-V99 HydrophobicContact CG2-CG1 4.31Å; V83-V99 HydrophobicContact CG2-CG2 4.42Å; V83-F126 HydrophobicContact CG1-CD1 4.49Å; V83-F126 HydrophobicContact CG1-CE1 4.19Å; V83-I162 PolarHBondContact N-O 3.01Å; V83-C163 PolarHBondContact O-SG 3.04Å; V83-A167 WeakPolarHBondContact O-CB 3.07Å; V83-V171 HydrophobicContact CB-CG2 4.03Å; V83-V171 HydrophobicContact CG1-CG2 3.85Å; V83-V171 HydrophobicContact CG2-CG2 4.5Å
84	D	92	Very high	84.8	Confident	21 Å²	21	48.6 Å²	48.6	11%	0.112	27%	0.273	C	S	.	.			trans	-152.6	161.3	179.7	-150.3	-22.9	0	0	0	111.5	P98 H244 M409	D84-P98 WeakPolarHBondContact O-CD 3.26Å; D84-H244 IonicContact OD2-CE1 2.8Å; D84-M409 HydrophobicContact CB-CE 3.5Å; D84-M409 VanDerWaalsContact CB-CE 3.5Å; D84-M409 HydrophobicContact CB-SD 4.33Å
85	G	90.3	Very high	84.3	Confident	32 Å²	32	51.5 Å²	51.5	33%	0.33	29%	0.286	S	S	.	.			trans	-85.5	131.2	176.4	0	0	0	0	0	112.2
86	L	86.4	Confident	84	Confident	11 Å²	11	46.5 Å²	46.5	6%	0.058	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	101.7	178.9	-175.3	64.7	0	0	0	110.4	L96 M409 I412 K413	L86-L96 HydrophobicContact CB-CB 3.98Å; L86-L96 HydrophobicContact CD2-CD1 4.01Å; L86-L96 HydrophobicContact CG-CD1 4.49Å; L86-L96 PolarHBondContact N-O 3.02Å; L86-L96 WeakPolarHBondContact O-CB 3.29Å; L86-L96 PolarHBondContact O-N 3.48Å; L86-L96 VanDerWaalsContact O-N 3.13Å; L86-M409 HydrophobicContact CD1-CB 3.86Å; L86-M409 HydrophobicContact CD1-CG 4.41Å; L86-M409 HydrophobicContact CD1-SD 4.3Å; L86-M409 HydrophobicContact CD2-CB 4.18Å; L86-M409 HydrophobicContact CD2-CG 4.44Å; L86-I412 HydrophobicContact CD2-CB 4.2Å; L86-I412 HydrophobicContact CD2-CG2 4.03Å; L86-K413 HydrophobicContact CD1-CD 3.74Å; L86-K413 HydrophobicContact CD1-CG 4.05Å; L86-K413 HydrophobicContact CD2-CG 4.08Å; L86-K413 HydrophobicContact CG-CD 4.35Å; L86-K413 HydrophobicContact CG-CG 4.17Å
87	S	80	Confident	83.9	Confident	64 Å²	64	44.4 Å²	44.4	45%	0.448	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.4	172.6	173.8	0	0	0	0	110.7	S89 K413	S87-S89 PolarHBondContact OG-O 2.95Å; S87-K413 WeakPolarHBondContact O-CE 3.28Å; S87-K413 PolarHBondContact O-NZ 2.8Å
88	M	70.9	Confident	83.8	Confident	45 Å²	45	44.3 Å²	44.3	22%	0.222	24%	0.242	C	C	.	.			trans	-73.2	-42.4	-177.8	-74.7	-58.5	-61.2	0	0	113.8	L96 K413 V416 V422	M88-L96 HydrophobicContact CG-CD1 3.99Å; M88-L96 HydrophobicContact CG-CG 4.22Å; M88-L96 HydrophobicContact SD-CD1 3.5Å; M88-L96 WeakPolarHBondContact SD-CD1 2.96Å; M88-L96 HydrophobicContact SD-CG 4.37Å; M88-K413 HydrophobicContact SD-CG 3.99Å; M88-V416 HydrophobicContact CE-CB 3.7Å; M88-V416 HydrophobicContact CE-CG1 3.8Å; M88-V416 HydrophobicContact CE-CG2 4.01Å; M88-V422 HydrophobicContact CE-CG1 3.95Å; M88-V422 HydrophobicContact CG-CG1 3.56Å; M88-V422 HydrophobicContact CG-CG2 4.42Å; M88-V422 HydrophobicContact SD-CG1 3.64Å
89	S	61.8	Low	83.8	Confident	48 Å²	48	41.1 Å²	41.1	34%	0.336	23%	0.227	S	C	.	.			trans	-156.5	162.7	173.6	75.1	0	0	0	0	109.8	S87 S91 S92	S87-S89 PolarHBondContact OG-O 2.95Å; S89-S91 PolarHBondContact O-N 3.39Å; S89-S91 PolarHBondContact OG-N 3.44Å; S89-S91 PolarHBondContact OG-OG 3.11Å; S89-S91 VanDerWaalsContact OG-OG 3.12Å; S89-S92 PolarHBondContact O-N 2.9Å; S89-S92 WeakPolarHBondContact OG-CB 3.38Å; S89-S92 PolarHBondContact OG-N 3.25Å
90	R	57.6	Low	83.8	Confident	263 Å²	263	41 Å²	41	99%	0.992	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.9	173.7	-69.8	-175.5	177.7	-177.7	-1.6	113.2
91	S	58.4	Low	83.8	Confident	115 Å²	115	40.4 Å²	40.4	80%	0.804	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-8.4	-176.5	53.4	0	0	0	0	114	S89	S89-S91 PolarHBondContact O-N 3.39Å; S89-S91 PolarHBondContact OG-N 3.44Å; S89-S91 PolarHBondContact OG-OG 3.11Å; S89-S91 VanDerWaalsContact OG-OG 3.12Å
92	S	63.8	Low	83.8	Confident	33 Å²	33	42 Å²	42	23%	0.231	23%	0.23	C	C	.	.			trans	-91	129.9	-178.1	166.7	0	0	0	0	110.3	S89 Q94	S89-S92 PolarHBondContact O-N 2.9Å; S89-S92 WeakPolarHBondContact OG-CB 3.38Å; S89-S92 PolarHBondContact OG-N 3.25Å; S92-Q94 PolarHBondContact O-N 3.38Å; S92-Q94 WeakPolarHBondContact OG-CB 3.4Å; S92-Q94 PolarHBondContact OG-N 3.31Å
93	S	67	Low	83.7	Confident	73 Å²	73	42 Å²	42	51%	0.51	23%	0.23	S	C	.	.			trans	-71.9	-10.2	168	62.2	0	0	0	0	113.1	H95 N120	S93-H95 PolarHBondContact O-CD2 3.33Å; S93-H95 VanDerWaalsContact O-CD2 3.26Å; S93-H95 PolarHBondContact O-N 3.25Å; S93-N120 CarbonylContact O-C 3.54Å; S93-N120 VanDerWaalsContact O-CA 3.3Å; S93-N120 WeakPolarHBondContact O-CA 3.42Å; S93-N120 VanDerWaalsContact O-O 3.07Å; S93-N120 PolarHBondContact OG-OD1 2.95Å; S93-N120 VanDerWaalsContact OG-OD1 3.07Å
94	Q	78	Confident	83.7	Confident	38 Å²	38	43.4 Å²	43.4	18%	0.178	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-76.8	121.9	-177.5	-62.3	-78.8	-61	0	0	111.8	S92 G119 N120 V422	S92-Q94 PolarHBondContact O-N 3.38Å; S92-Q94 WeakPolarHBondContact OG-CB 3.4Å; S92-Q94 PolarHBondContact OG-N 3.31Å; Q94-G119 CarbonylContact C-O 3.5Å; Q94-G119 WeakPolarHBondContact CA-O 3.45Å; Q94-N120 PolarHBondContact NE2-OD1 3.19Å; Q94-V422 HydrophobicContact CB-CG2 4.29Å; Q94-V422 HydrophobicContact CG-CG2 4.26Å
95	H	85	Confident	83.8	Confident	75 Å²	75	43.7 Å²	43.7	35%	0.347	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.8	169.9	-67.9	-94.9	0	0	0	109.4	S93 G118 G119 N120	S93-H95 PolarHBondContact O-CD2 3.33Å; S93-H95 VanDerWaalsContact O-CD2 3.26Å; S93-H95 PolarHBondContact O-N 3.25Å; H95-G118 WeakPolarHBondContact O-CA 3.46Å; H95-G119 PolarHBondContact N-O 2.72Å; H95-G119 PolarHBondContact O-N 3.04Å; H95-G119 VanDerWaalsContact O-N 3.11Å; H95-N120 PolarHBondContact CD2-O 3.25Å
96	L	92	Very high	83.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	144.5	168.5	-68.1	178.6	0	0	0	110.3	L86 M88 I116 Y117 V422 A423	L86-L96 HydrophobicContact CB-CB 3.98Å; L86-L96 HydrophobicContact CD2-CD1 4.01Å; L86-L96 HydrophobicContact CG-CD1 4.49Å; L86-L96 PolarHBondContact N-O 3.02Å; L86-L96 WeakPolarHBondContact O-CB 3.29Å; L86-L96 PolarHBondContact O-N 3.48Å; L86-L96 VanDerWaalsContact O-N 3.13Å; M88-L96 HydrophobicContact CG-CD1 3.99Å; M88-L96 HydrophobicContact CG-CG 4.22Å; M88-L96 HydrophobicContact SD-CD1 3.5Å; M88-L96 WeakPolarHBondContact SD-CD1 2.96Å; M88-L96 HydrophobicContact SD-CG 4.37Å; L96-I116 HydrophobicContact CD1-CD1 4.18Å; L96-I116 HydrophobicContact CD2-CD1 4.13Å; L96-I116 HydrophobicContact CD2-CG1 4.32Å; L96-Y117 CarbonylContact C-O 3.52Å; L96-Y117 VanDerWaalsContact CA-O 3.27Å; L96-Y117 WeakPolarHBondContact CA-O 3.22Å; L96-V422 HydrophobicContact CD1-CG1 3.49Å; L96-V422 VanDerWaalsContact CD1-CG1 3.49Å; L96-V422 HydrophobicContact CD2-CB 4.1Å; L96-V422 HydrophobicContact CD2-CG1 3.69Å; L96-V422 HydrophobicContact CG-CG1 3.75Å; L96-A423 HydrophobicContact CD2-CB 3.71Å
97	W	94.2	Very high	84	Confident	19 Å²	19	49.2 Å²	49.2	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	91.3	170.4	-75.1	73.5	0	0	0	109	V83 Y117 K122 P123 F126 I129 A167	V83-W97 HydrophobicContact CG1-CE3 4.19Å; W97-Y117 HydrophobicContact CB-CD1 4.03Å; W97-Y117 AromaticContact CD1-CD1 3.92Å; W97-Y117 HydrophobicContact CG-CD1 4.28Å; W97-Y117 PolarHBondContact N-O 2.97Å; W97-Y117 PolarHBondContact O-N 3.47Å; W97-K122 HydrophobicContact CZ2-CB 4.07Å; W97-P123 HydrophobicContact CB-CG 4.25Å; W97-P123 HydrophobicContact CD2-CG 4.36Å; W97-P123 HydrophobicContact CG-CG 3.96Å; W97-F126 HydrophobicContact CD2-CE1 4.1Å; W97-F126 AromaticContact CD2-CZ 3.87Å; W97-F126 HydrophobicContact CD2-CZ 3.87Å; W97-F126 AromaticContact CE3-CE1 3.41Å; W97-F126 HydrophobicContact CE3-CE1 3.41Å; W97-F126 VanDerWaalsContact CE3-CE1 3.41Å; W97-F126 AromaticContact CE3-CZ 3.52Å; W97-F126 HydrophobicContact CE3-CZ 3.52Å; W97-F126 HydrophobicContact CH2-CE1 4.08Å; W97-F126 AromaticContact CH2-CZ 3.49Å; W97-F126 HydrophobicContact CH2-CZ 3.49Å; W97-F126 VanDerWaalsContact CH2-CZ 3.49Å; W97-F126 AromaticContact CZ2-CZ 3.85Å; W97-F126 HydrophobicContact CZ2-CZ 3.85Å; W97-F126 AromaticContact CZ3-CE1 3.41Å; W97-F126 HydrophobicContact CZ3-CE1 3.41Å; W97-F126 VanDerWaalsContact CZ3-CE1 3.41Å; W97-F126 AromaticContact CZ3-CZ 3.31Å; W97-F126 HydrophobicContact CZ3-CZ 3.31Å; W97-I129 HydrophobicContact CB-CD1 4.36Å; W97-A167 HydrophobicContact CH2-CB 4.18Å; W97-A167 HydrophobicContact CZ3-CB 3.81Å
98	P	95.9	Very high	84.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	142.2	172.7	29.7	-35.7	0	0	0	111.5	D84 L100 I116 M409 I412	D84-P98 WeakPolarHBondContact O-CD 3.26Å; P98-L100 HydrophobicContact CB-CD2 3.88Å; P98-L100 HydrophobicContact CB-CG 4.04Å; P98-I116 HydrophobicContact CB-CD1 4.42Å; P98-I116 HydrophobicContact CB-CG1 4.37Å; P98-M409 HydrophobicContact CG-CE 4.4Å; P98-M409 HydrophobicContact CG-CG 4.17Å; P98-M409 HydrophobicContact CG-SD 4.46Å; P98-I412 HydrophobicContact CB-CD1 3.94Å; P98-I412 HydrophobicContact CG-CD1 4.24Å
99	V	97.8	Very high	85.6	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.2	163.2	-175.8	0	0	0	0	106.4	I81 V83 I114 G115 T133	I81-V99 HydrophobicContact CG2-CG1 4.12Å; V83-V99 HydrophobicContact CG2-CG1 4.31Å; V83-V99 HydrophobicContact CG2-CG2 4.42Å; V99-I114 HydrophobicContact CB-CB 4.45Å; V99-I114 HydrophobicContact CG1-CB 4.18Å; V99-I114 HydrophobicContact CG1-CD1 4.23Å; V99-I114 HydrophobicContact CG1-CG2 4.46Å; V99-I114 WeakPolarHBondContact O-CB 3.44Å; V99-I114 PolarHBondContact O-N 3.42Å; V99-G115 PolarHBondContact N-O 2.9Å; V99-G115 PolarHBondContact O-N 3.02Å; V99-T133 HydrophobicContact CG1-CG2 4.27Å
100	L	98.4	Very high	87	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.1	-172.7	-57	179.7	0	0	0	110.6	I81 N82 P98 V111 F112 M113 F405 Y408 M409 I412	I81-L100 CarbonylContact C-O 3.23Å; I81-L100 VanDerWaalsContact CA-O 3.28Å; I81-L100 WeakPolarHBondContact CA-O 3.46Å; N82-L100 HydrophobicContact CB-CB 4.26Å; N82-L100 PolarHBondContact N-O 3.32Å; N82-L100 PolarHBondContact O-N 3.26Å; P98-L100 HydrophobicContact CB-CD2 3.88Å; P98-L100 HydrophobicContact CB-CG 4.04Å; L100-V111 HydrophobicContact CB-CG1 3.92Å; L100-V111 HydrophobicContact CD1-CG1 4.05Å; L100-V111 HydrophobicContact CG-CG1 4.4Å; L100-F112 CarbonylContact C-O 3.29Å; L100-F112 WeakPolarHBondContact CA-O 3.34Å; L100-M113 HydrophobicContact CD2-CB 4.19Å; L100-M113 HydrophobicContact CD2-CG 4.02Å; L100-F405 HydrophobicContact CB-CD1 3.94Å; L100-F405 HydrophobicContact CB-CE1 4.36Å; L100-F405 HydrophobicContact CD1-CB 4.26Å; L100-F405 HydrophobicContact CD1-CD1 4.23Å; L100-Y408 HydrophobicContact CD1-CD1 3.86Å; L100-Y408 HydrophobicContact CD2-CD1 3.68Å; L100-Y408 HydrophobicContact CD2-CE1 3.65Å; L100-Y408 HydrophobicContact CG-CD1 4.39Å; L100-M409 HydrophobicContact CD1-CE 4.02Å; L100-M409 HydrophobicContact CD1-CG 4.07Å; L100-I412 HydrophobicContact CD2-CD1 4.1Å
101	G	98.1	Very high	88.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.7	176.6	0	0	0	0	0	111.9	Y80 V111 F112	Y80-G101 CarbonylContact O-C 3.49Å; Y80-G101 WeakPolarHBondContact O-CA 3.4Å; G101-V111 WeakPolarHBondContact O-CA 3.46Å; G101-F112 PolarHBondContact N-O 3.09Å; G101-F112 WeakPolarHBondContact O-CD1 3.35Å; G101-F112 PolarHBondContact O-N 3.27Å
102	R	97.8	Very high	90.6	Very high	34 Å²	34	29.8 Å²	29.8	13%	0.128	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	129.9	171.2	-167.7	-178.1	-168.3	-168.5	6	110.6	Y80 L108 S109 V111 F405	Y80-R102 PolarHBondContact N-O 3.28Å; Y80-R102 PolarHBondContact O-N 2.87Å; R102-L108 VanDerWaalsContact NH2-CD2 3.28Å; R102-S109 PolarHBondContact NE-O 2.64Å; R102-V111 HydrophobicContact CB-CG2 4.45Å; R102-V111 HydrophobicContact CG-CG2 4.42Å; R102-F405 HydrophobicContact CB-CE1 3.99Å; R102-F405 HydrophobicContact CB-CZ 4.02Å
103	I	97.1	Very high	92.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.7	171.6	-56.3	167.5	0	0	0	108.2	L61 Y64 W68 L77 Q78 A105 L108 S109 F112	L61-I103 HydrophobicContact CD2-CD1 3.83Å; L61-I103 HydrophobicContact CD2-CG1 3.77Å; Y64-I103 HydrophobicContact CD2-CD1 3.89Å; Y64-I103 HydrophobicContact CG-CD1 3.81Å; W68-I103 HydrophobicContact CH2-CB 4.11Å; W68-I103 HydrophobicContact CH2-CD1 4.01Å; W68-I103 HydrophobicContact CH2-CG2 4.06Å; W68-I103 HydrophobicContact CZ3-CB 4.34Å; W68-I103 HydrophobicContact CZ3-CD1 4Å; W68-I103 HydrophobicContact CZ3-CG2 3.84Å; L77-I103 HydrophobicContact CB-CG2 4.49Å; L77-I103 HydrophobicContact CD1-CD1 4.24Å; L77-I103 HydrophobicContact CD2-CG2 3.86Å; Q78-I103 CarbonylContact O-C 3.59Å; Q78-I103 WeakPolarHBondContact O-CA 3.15Å; I103-A105 VanDerWaalsContact CG2-O 3.31Å; I103-A105 WeakPolarHBondContact CG2-O 3.4Å; I103-L108 WeakPolarHBondContact O-CA 3.44Å; I103-S109 PolarHBondContact N-OG 2.77Å; I103-S109 PolarHBondContact O-N 3.45Å; I103-F112 HydrophobicContact CG1-CE1 4.24Å
104	V	95.1	Very high	93.6	Very high	36 Å²	36	24.9 Å²	24.9	22%	0.218	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-15.7	-177.8	-62.2	0	0	0	0	113.9	Q78 Y80 L108	Q78-V104 HydrophobicContact CB-CG2 3.73Å; Q78-V104 WeakPolarHBondContact O-CG2 3.37Å; Q78-V104 PolarHBondContact O-N 2.76Å; Y80-V104 HydrophobicContact CD1-CG1 4.2Å; Y80-V104 HydrophobicContact CD1-CG2 3.97Å; Y80-V104 HydrophobicContact CD2-CG1 3.6Å; Y80-V104 HydrophobicContact CE1-CG2 3.93Å; Y80-V104 HydrophobicContact CE2-CG1 3.92Å; Y80-V104 HydrophobicContact CG-CG1 3.75Å; Y80-V104 HydrophobicContact CG-CG2 4.37Å; V104-L108 HydrophobicContact CB-CD1 4.45Å; V104-L108 HydrophobicContact CG1-CD1 4.2Å
105	A	94.1	Very high	94.5	Very high	27 Å²	27	23.1 Å²	23.1	22%	0.223	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	148.2	171.3	0	0	0	0	0	110.2	L77 Q78 I103 R107	L77-A105 WeakPolarHBondContact CA-O 3.35Å; Q78-A105 HydrophobicContact CB-CB 3.92Å; Q78-A105 HydrophobicContact CG-CB 3.97Å; Q78-A105 PolarHBondContact N-O 2.77Å; I103-A105 VanDerWaalsContact CG2-O 3.31Å; I103-A105 WeakPolarHBondContact CG2-O 3.4Å; A105-R107 VanDerWaalsContact C-N 3.33Å
106	P	91.7	Very high	95	Very high	72 Å²	72	19.5 Å²	19.5	47%	0.468	10%	0.103	S	C	.	.	S	Bend	cis	-79.5	-15.2	3.6	35	-35.4	0	0	0	112.7	F74 S76	F74-P106 HydrophobicContact CB-CG 3.85Å; F74-P106 HydrophobicContact CD1-CG 4.27Å; F74-P106 HydrophobicContact CD2-CG 4.16Å; F74-P106 HydrophobicContact CG-CG 3.83Å; S76-P106 WeakPolarHBondContact O-CD 3.4Å
107	R	89.9	Confident	95.2	Very high	87 Å²	87	19.5 Å²	19.5	33%	0.328	10%	0.103	S	C	.	.	S	Bend	trans	-121.8	153.5	175.2	-61.9	179.5	178.8	-175.1	-1.5	109.7	W68 T71 A105	W68-R107 HydrophobicContact CD2-CB 4.31Å; W68-R107 HydrophobicContact CE3-CB 4.01Å; W68-R107 HydrophobicContact CE3-CG 4.46Å; W68-R107 HydrophobicContact CH2-CB 3.71Å; W68-R107 HydrophobicContact CZ2-CB 4.04Å; W68-R107 HydrophobicContact CZ3-CB 3.7Å; T71-R107 PolarHBondContact OG1-NH1 3.16Å; T71-R107 PolarHBondContact OG1-NH2 3.38Å; A105-R107 VanDerWaalsContact C-N 3.33Å
108	L	91.1	Very high	95.1	Very high	77 Å²	77	19 Å²	19	40%	0.403	10%	0.103	S	C	.	.	P	Polyproline II helix	trans	-87.9	117.1	178.2	-169.6	64.5	0	0	0	109.4	R102 I103 V104	R102-L108 VanDerWaalsContact NH2-CD2 3.28Å; I103-L108 WeakPolarHBondContact O-CA 3.44Å; V104-L108 HydrophobicContact CB-CD1 4.45Å; V104-L108 HydrophobicContact CG1-CD1 4.2Å
109	S	92.4	Very high	94.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-84.1	165.7	173.5	78	0	0	0	0	111.8	R102 I103	R102-S109 PolarHBondContact NE-O 2.64Å; I103-S109 PolarHBondContact N-OG 2.77Å; I103-S109 PolarHBondContact O-N 3.45Å
110	D	91.3	Very high	94.3	Very high	33 Å²	33	23.8 Å²	23.8	18%	0.176	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-67.5	161.5	156.8	-73.5	-25.5	0	0	0	110.4	S445 T446 N447	D110-S445 WeakPolarHBondContact OD2-CA 3.23Å; D110-T446 PolarHBondContact OD1-OG1 3.42Å; D110-T446 PolarHBondContact OD2-N 3.4Å; D110-T446 PolarHBondContact OD2-OG1 2.77Å; D110-N447 PolarHBondContact OD1-ND2 3.39Å
111	V	96	Very high	93.8	Very high	15 Å²	15	27.4 Å²	27.4	9%	0.091	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-72.7	137	174.7	177	0	0	0	0	108.9	L100 G101 R102 P404 F405 Y408	L100-V111 HydrophobicContact CB-CG1 3.92Å; L100-V111 HydrophobicContact CD1-CG1 4.05Å; L100-V111 HydrophobicContact CG-CG1 4.4Å; G101-V111 WeakPolarHBondContact O-CA 3.46Å; R102-V111 HydrophobicContact CB-CG2 4.45Å; R102-V111 HydrophobicContact CG-CG2 4.42Å; V111-P404 HydrophobicContact CG2-CB 3.9Å; V111-F405 HydrophobicContact CB-CD1 4.5Å; V111-F405 HydrophobicContact CG1-CD1 3.71Å; V111-F405 HydrophobicContact CG1-CE1 4.15Å; V111-F405 HydrophobicContact CG2-CD1 3.88Å; V111-F405 HydrophobicContact CG2-CE1 4.07Å; V111-Y408 HydrophobicContact CB-CD1 4.45Å; V111-Y408 HydrophobicContact CB-CD2 4.03Å; V111-Y408 HydrophobicContact CB-CG 3.85Å; V111-Y408 HydrophobicContact CG1-CD1 3.72Å; V111-Y408 HydrophobicContact CG1-CD2 4.18Å; V111-Y408 HydrophobicContact CG1-CE1 4.39Å; V111-Y408 HydrophobicContact CG1-CG 3.59Å; V111-Y408 WeakPolarHBondContact O-CD2 3.45Å; V111-Y408 WeakPolarHBondContact O-CE2 3.09Å
112	F	95.5	Very high	93.3	Very high	3 Å²	3	32 Å²	32	1%	0.013	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	158.8	178.9	56.9	-97.6	0	0	0	111.4	L57 N60 L61 Y64 L79 L100 G101 I103 I114 Y430	L57-F112 HydrophobicContact CD1-CE2 3.92Å; L57-F112 HydrophobicContact CD1-CZ 4.28Å; N60-F112 HydrophobicContact CB-CD2 3.65Å; N60-F112 HydrophobicContact CB-CE2 3.82Å; N60-F112 HydrophobicContact CB-CG 4.3Å; L61-F112 HydrophobicContact CD2-CZ 3.82Å; Y64-F112 HydrophobicContact CD2-CD1 4.44Å; Y64-F112 HydrophobicContact CD2-CE1 4.41Å; Y64-F112 AromaticContact CE2-CD1 3.6Å; Y64-F112 HydrophobicContact CE2-CD1 3.6Å; Y64-F112 AromaticContact CE2-CE1 3.99Å; Y64-F112 HydrophobicContact CE2-CE1 3.99Å; Y64-F112 HydrophobicContact CE2-CG 4.29Å; L79-F112 HydrophobicContact CD1-CZ 4.07Å; L100-F112 CarbonylContact C-O 3.29Å; L100-F112 WeakPolarHBondContact CA-O 3.34Å; G101-F112 PolarHBondContact N-O 3.09Å; G101-F112 WeakPolarHBondContact O-CD1 3.35Å; G101-F112 PolarHBondContact O-N 3.27Å; I103-F112 HydrophobicContact CG1-CE1 4.24Å; F112-I114 HydrophobicContact CD2-CG1 4.19Å; F112-I114 HydrophobicContact CE2-CD1 4.42Å; F112-I114 HydrophobicContact CE2-CG1 3.94Å; F112-Y430 WeakPolarHBondContact CB-OH 3.47Å
113	M	96.2	Very high	92.9	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.2	-178	-161.9	-176.8	-56.6	0	0	110.6	L55 N60 L100 I116 Y408 I412 Y430	L55-M113 HydrophobicContact CD1-CB 3.84Å; L55-M113 HydrophobicContact CD1-CG 3.58Å; L55-M113 HydrophobicContact CD1-SD 3.44Å; L55-M113 WeakPolarHBondContact CD1-SD 3.3Å; N60-M113 PolarHBondContact ND2-O 3.42Å; L100-M113 HydrophobicContact CD2-CB 4.19Å; L100-M113 HydrophobicContact CD2-CG 4.02Å; M113-I116 HydrophobicContact SD-CB 3.87Å; M113-I116 HydrophobicContact SD-CD1 4.29Å; M113-I116 HydrophobicContact SD-CG2 3.93Å; M113-Y408 HydrophobicContact CB-CE1 4.27Å; M113-Y408 HydrophobicContact CE-CE1 4.3Å; M113-I412 HydrophobicContact CE-CD1 3.53Å; M113-I412 HydrophobicContact CE-CG1 3.59Å; M113-I412 HydrophobicContact CE-CG2 4.3Å; M113-Y430 HydrophobicContact CB-CD1 4.28Å; M113-Y430 HydrophobicContact CB-CD2 3.76Å; M113-Y430 HydrophobicContact CB-CE1 4.26Å; M113-Y430 HydrophobicContact CB-CE2 3.75Å; M113-Y430 HydrophobicContact CB-CG 4.01Å; M113-Y430 PolarHBondContact N-OH 3.16Å; M113-Y430 WeakPolarHBondContact O-CE1 3.4Å
114	I	97.7	Very high	92.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-38.1	175.2	-60	164.6	0	0	0	110.2	L55 G56 L57 I81 V99 F112 T133	L55-I114 WeakPolarHBondContact CA-O 3.21Å; L55-I114 WeakPolarHBondContact CB-O 3.42Å; L55-I114 PolarHBondContact N-O 3Å; G56-I114 PolarHBondContact N-O 3.48Å; L57-I114 HydrophobicContact CB-CG1 4.35Å; L57-I114 HydrophobicContact CB-CG2 3.83Å; L57-I114 HydrophobicContact CD1-CD1 3.76Å; L57-I114 HydrophobicContact CD1-CG1 3.96Å; I81-I114 HydrophobicContact CG1-CD1 4.31Å; V99-I114 HydrophobicContact CB-CB 4.45Å; V99-I114 HydrophobicContact CG1-CB 4.18Å; V99-I114 HydrophobicContact CG1-CD1 4.23Å; V99-I114 HydrophobicContact CG1-CG2 4.46Å; V99-I114 WeakPolarHBondContact O-CB 3.44Å; V99-I114 PolarHBondContact O-N 3.42Å; F112-I114 HydrophobicContact CD2-CG1 4.19Å; F112-I114 HydrophobicContact CE2-CD1 4.42Å; F112-I114 HydrophobicContact CE2-CG1 3.94Å; I114-T133 HydrophobicContact CD1-CG2 4.35Å; I114-T133 HydrophobicContact CG2-CG2 3.86Å; I114-T133 WeakPolarHBondContact CG2-OG1 3.43Å
115	G	96.8	Very high	92	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	169.6	175.8	0	0	0	0	0	111.8	Y53 V99	Y53-G115 CarbonylContact O-C 3.47Å; Y53-G115 WeakPolarHBondContact O-CA 3.37Å; V99-G115 PolarHBondContact N-O 2.9Å; V99-G115 PolarHBondContact O-N 3.02Å
116	I	95.9	Very high	91.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	127.2	178.4	-169.9	166.1	0	0	0	111.6	Y52 Y53 L96 P98 M113 I412 A423 A426 A427	Y52-I116 WeakPolarHBondContact CD2-O 3.43Å; Y53-I116 PolarHBondContact N-O 3.38Å; Y53-I116 PolarHBondContact O-N 3.08Å; L96-I116 HydrophobicContact CD1-CD1 4.18Å; L96-I116 HydrophobicContact CD2-CD1 4.13Å; L96-I116 HydrophobicContact CD2-CG1 4.32Å; P98-I116 HydrophobicContact CB-CD1 4.42Å; P98-I116 HydrophobicContact CB-CG1 4.37Å; M113-I116 HydrophobicContact SD-CB 3.87Å; M113-I116 HydrophobicContact SD-CD1 4.29Å; M113-I116 HydrophobicContact SD-CG2 3.93Å; I116-I412 HydrophobicContact CD1-CG2 4.06Å; I116-A423 HydrophobicContact CG1-CB 4.47Å; I116-A423 HydrophobicContact CG2-CB 4.4Å; I116-A426 HydrophobicContact CD1-CB 3.82Å; I116-A427 HydrophobicContact CG2-CB 3.84Å
117	Y	95.4	Very high	92.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	146	169.7	164	-92.6	0	0	0	111	I47 S49 V51 L96 W97 T121 P123 I129	I47-Y117 HydrophobicContact CD1-CD2 3.31Å; I47-Y117 HydrophobicContact CD1-CE2 3.47Å; I47-Y117 VanDerWaalsContact CD1-CE2 3.47Å; I47-Y117 HydrophobicContact CD1-CG 4.42Å; I47-Y117 HydrophobicContact CG1-CD2 3.95Å; I47-Y117 HydrophobicContact CG1-CE2 3.8Å; S49-Y117 VanDerWaalsContact C-OH 3.28Å; S49-Y117 WeakPolarHBondContact CB-OH 3.42Å; S49-Y117 PolarHBondContact O-OH 3.04Å; S49-Y117 PolarHBondContact OG-OH 3.37Å; V51-Y117 CarbonylContact O-C 3.56Å; V51-Y117 WeakPolarHBondContact O-CA 3.41Å; L96-Y117 CarbonylContact C-O 3.52Å; L96-Y117 VanDerWaalsContact CA-O 3.27Å; L96-Y117 WeakPolarHBondContact CA-O 3.22Å; W97-Y117 HydrophobicContact CB-CD1 4.03Å; W97-Y117 AromaticContact CD1-CD1 3.92Å; W97-Y117 HydrophobicContact CG-CD1 4.28Å; W97-Y117 PolarHBondContact N-O 2.97Å; W97-Y117 PolarHBondContact O-N 3.47Å; Y117-T121 WeakPolarHBondContact CE1-O 3.47Å; Y117-T121 PolarHBondContact OH-O 3.43Å; Y117-P123 HydrophobicContact CD1-CG 3.61Å; Y117-P123 HydrophobicContact CE1-CB 4.49Å; Y117-P123 HydrophobicContact CE1-CG 3.73Å; Y117-P123 HydrophobicContact CG-CG 4Å; Y117-I129 HydrophobicContact CD2-CG2 4.08Å; Y117-I129 HydrophobicContact CG-CG2 4.13Å
118	G	92.8	Very high	92.2	Very high	7 Å²	7	32.6 Å²	32.6	7%	0.072	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.2	166.7	0	0	0	0	0	112	V51 H95	V51-G118 PolarHBondContact N-O 3.42Å; V51-G118 PolarHBondContact O-N 3.42Å; H95-G118 WeakPolarHBondContact O-CA 3.46Å
119	G	90.6	Very high	92.3	Very high	6 Å²	6	29 Å²	29	6%	0.062	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	177.2	174.9	0	0	0	0	0	112.3	Q94 H95 T121	Q94-G119 CarbonylContact C-O 3.5Å; Q94-G119 WeakPolarHBondContact CA-O 3.45Å; H95-G119 PolarHBondContact N-O 2.72Å; H95-G119 PolarHBondContact O-N 3.04Å; H95-G119 VanDerWaalsContact O-N 3.11Å; G119-T121 PolarHBondContact O-N 2.72Å
120	N	87.4	Confident	92.4	Very high	99 Å²	99	29.7 Å²	29.7	53%	0.529	17%	0.166	S	C	.	.	S	Bend	trans	-78.7	-8.8	176.3	-73.5	-38.9	0	0	0	113.3	S93 Q94 H95	S93-N120 CarbonylContact O-C 3.54Å; S93-N120 VanDerWaalsContact O-CA 3.3Å; S93-N120 WeakPolarHBondContact O-CA 3.42Å; S93-N120 VanDerWaalsContact O-O 3.07Å; S93-N120 PolarHBondContact OG-OD1 2.95Å; S93-N120 VanDerWaalsContact OG-OD1 3.07Å; Q94-N120 PolarHBondContact NE2-OD1 3.19Å; H95-N120 PolarHBondContact CD2-O 3.25Å
121	T	87.3	Confident	92.6	Very high	77 Å²	77	29.7 Å²	29.7	47%	0.472	17%	0.171	S	C	.	.	S	Bend	trans	-136	168.4	175	60.9	0	0	0	0	109	Y117 G119	Y117-T121 WeakPolarHBondContact CE1-O 3.47Å; Y117-T121 PolarHBondContact OH-O 3.43Å; G119-T121 PolarHBondContact O-N 2.72Å
122	K	88.2	Confident	92.6	Very high	96 Å²	96	31.2 Å²	31.2	42%	0.417	18%	0.178	S	C	.	.	S	Bend	trans	-55.6	155.4	163.2	73.5	175.9	-162.3	162.3	0	110.8	W97 A124 D170	W97-K122 HydrophobicContact CZ2-CB 4.07Å; K122-A124 PolarHBondContact O-N 2.67Å; K122-D170 VanDerWaalsContact NZ-CG 3.27Å; K122-D170 IonicContact NZ-OD1 2.75Å; K122-D170 PolarHBondContact NZ-OD1 2.72Å; K122-D170 IonicContact NZ-OD2 2.83Å; K122-D170 PolarHBondContact NZ-OD2 3.3Å
123	P	88.9	Confident	92.7	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.013	18%	0.178	C	C	.	.			trans	-51.3	129.6	174.3	-22.8	29.5	0	0	0	110.7	S49 W97 Y117 Q125 F126 I129	S49-P123 WeakPolarHBondContact OG-CA 3.49Å; W97-P123 HydrophobicContact CB-CG 4.25Å; W97-P123 HydrophobicContact CD2-CG 4.36Å; W97-P123 HydrophobicContact CG-CG 3.96Å; Y117-P123 HydrophobicContact CD1-CG 3.61Å; Y117-P123 HydrophobicContact CE1-CB 4.49Å; Y117-P123 HydrophobicContact CE1-CG 3.73Å; Y117-P123 HydrophobicContact CG-CG 4Å; P123-Q125 VanDerWaalsContact C-N 3.33Å; P123-F126 HydrophobicContact CB-CD2 4.33Å; P123-F126 HydrophobicContact CB-CE2 4.15Å; P123-F126 HydrophobicContact CB-CZ 4.43Å; P123-F126 HydrophobicContact CG-CE1 4.4Å; P123-F126 HydrophobicContact CG-CE2 4.27Å; P123-F126 HydrophobicContact CG-CZ 4.07Å; P123-I129 HydrophobicContact CB-CD1 4.49Å; P123-I129 HydrophobicContact CB-CG2 4.3Å; P123-I129 HydrophobicContact CG-CD1 3.91Å; P123-I129 HydrophobicContact CG-CG2 4.31Å
124	A	86.3	Confident	92.8	Very high	69 Å²	69	31.3 Å²	31.3	57%	0.57	18%	0.179	S	C	*	.	S	Bend	trans	-67.8	-36.6	175.8	0	0	0	0	0	111.6	S49 K122	S49-A124 PolarHBondContact OG-N 3.32Å; K122-A124 PolarHBondContact O-N 2.67Å
125	Q	87.1	Confident	92.8	Very high	87 Å²	87	35 Å²	35	41%	0.407	20%	0.204	S	C	.	.			trans	-128.5	113.3	175.7	-71.3	-70	4	0	0	109.3	P123 N127 E128 Y173	P123-Q125 VanDerWaalsContact C-N 3.33Å; Q125-N127 PolarHBondContact O-N 3.01Å; Q125-E128 HydrophobicContact CB-CB 4.45Å; Q125-E128 HydrophobicContact CB-CG 3.85Å; Q125-E128 PolarHBondContact O-N 2.89Å; Q125-Y173 PolarHBondContact OE1-OH 3.14Å
126	F	91.7	Very high	92.9	Very high	11 Å²	11	36.1 Å²	36.1	5%	0.048	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-29.3	178.1	-91.5	-96.3	0	0	0	112.4	V83 W97 P123 E128 I129 S130 D170 V171 Y173	V83-F126 HydrophobicContact CG1-CD1 4.49Å; V83-F126 HydrophobicContact CG1-CE1 4.19Å; W97-F126 HydrophobicContact CD2-CE1 4.1Å; W97-F126 AromaticContact CD2-CZ 3.87Å; W97-F126 HydrophobicContact CD2-CZ 3.87Å; W97-F126 AromaticContact CE3-CE1 3.41Å; W97-F126 HydrophobicContact CE3-CE1 3.41Å; W97-F126 VanDerWaalsContact CE3-CE1 3.41Å; W97-F126 AromaticContact CE3-CZ 3.52Å; W97-F126 HydrophobicContact CE3-CZ 3.52Å; W97-F126 HydrophobicContact CH2-CE1 4.08Å; W97-F126 AromaticContact CH2-CZ 3.49Å; W97-F126 HydrophobicContact CH2-CZ 3.49Å; W97-F126 VanDerWaalsContact CH2-CZ 3.49Å; W97-F126 AromaticContact CZ2-CZ 3.85Å; W97-F126 HydrophobicContact CZ2-CZ 3.85Å; W97-F126 AromaticContact CZ3-CE1 3.41Å; W97-F126 HydrophobicContact CZ3-CE1 3.41Å; W97-F126 VanDerWaalsContact CZ3-CE1 3.41Å; W97-F126 AromaticContact CZ3-CZ 3.31Å; W97-F126 HydrophobicContact CZ3-CZ 3.31Å; P123-F126 HydrophobicContact CB-CD2 4.33Å; P123-F126 HydrophobicContact CB-CE2 4.15Å; P123-F126 HydrophobicContact CB-CZ 4.43Å; P123-F126 HydrophobicContact CG-CE1 4.4Å; P123-F126 HydrophobicContact CG-CE2 4.27Å; P123-F126 HydrophobicContact CG-CZ 4.07Å; F126-E128 PolarHBondContact O-N 2.86Å; F126-I129 HydrophobicContact CD1-CD1 3.84Å; F126-I129 HydrophobicContact CD1-CG1 4.27Å; F126-I129 HydrophobicContact CE1-CD1 3.96Å; F126-I129 WeakPolarHBondContact O-CG1 3.3Å; F126-I129 PolarHBondContact O-N 2.96Å; F126-S130 PolarHBondContact O-N 3.47Å; F126-S130 VanDerWaalsContact O-N 3.12Å; F126-S130 PolarHBondContact O-OG 2.9Å; F126-D170 HydrophobicContact CD2-CB 3.67Å; F126-D170 HydrophobicContact CE1-CB 4.34Å; F126-D170 HydrophobicContact CE2-CB 3.47Å; F126-D170 VanDerWaalsContact CE2-CB 3.47Å; F126-D170 HydrophobicContact CG-CB 4.2Å; F126-D170 HydrophobicContact CZ-CB 3.83Å; F126-V171 HydrophobicContact CD1-CG2 3.87Å; F126-V171 HydrophobicContact CE1-CG2 4.3Å; F126-Y173 HydrophobicContact CB-CE2 4.07Å; F126-Y173 PolarHBondContact N-OH 3.49Å; F126-Y173 VanDerWaalsContact N-OH 3.15Å
127	N	95.1	Very high	93	Very high	35 Å²	35	36.2 Å²	36.2	19%	0.187	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-33.4	173.3	-73.7	-15.6	0	0	0	112.5	Q125 I129 S130 A131 Y173 H224 L226	Q125-N127 PolarHBondContact O-N 3.01Å; N127-I129 PolarHBondContact O-N 3.33Å; N127-S130 WeakPolarHBondContact CA-OG 3.14Å; N127-S130 PolarHBondContact O-N 3Å; N127-S130 PolarHBondContact O-OG 3Å; N127-A131 WeakPolarHBondContact O-CB 3.5Å; N127-A131 PolarHBondContact O-N 2.95Å; N127-Y173 PolarHBondContact N-OH 2.99Å; N127-Y173 VanDerWaalsContact N-OH 3.16Å; N127-Y173 PolarHBondContact ND2-OH 3.31Å; N127-Y173 WeakPolarHBondContact OD1-CE2 3.23Å; N127-H224 PolarHBondContact ND2-O 3.34Å; N127-L226 HydrophobicContact CB-CD1 3.73Å; N127-L226 HydrophobicContact CB-CG 3.78Å; N127-L226 VanDerWaalsContact O-CD1 3.24Å; N127-L226 WeakPolarHBondContact O-CD1 3.39Å; N127-L226 PolarHBondContact OD1-N 3.22Å
128	E	93.2	Very high	93.1	Very high	65 Å²	65	40.2 Å²	40.2	30%	0.304	23%	0.228	S	C	.	.	H	α-helix	trans	-67.1	-36.4	179.4	-69.2	178.5	-180	0	0	112.6	I47 S48 Q125 F126	I47-E128 HydrophobicContact CB-CB 4.4Å; I47-E128 WeakPolarHBondContact CB-OE2 3.48Å; I47-E128 HydrophobicContact CD1-CB 4.4Å; I47-E128 HydrophobicContact CG2-CB 4.37Å; S48-E128 WeakPolarHBondContact CB-OE2 3.45Å; S48-E128 PolarHBondContact N-OE2 2.82Å; S48-E128 PolarHBondContact OG-OE1 3.35Å; S48-E128 PolarHBondContact OG-OE2 2.81Å; Q125-E128 HydrophobicContact CB-CB 4.45Å; Q125-E128 HydrophobicContact CB-CG 3.85Å; Q125-E128 PolarHBondContact O-N 2.89Å; F126-E128 PolarHBondContact O-N 2.86Å
129	I	93	Very high	93.3	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-85.1	-20.7	-180	65	159.7	0	0	0	112.8	I47 Y52 W97 Y117 P123 F126 N127	I47-I129 HydrophobicContact CD1-CG2 3.39Å; Y52-I129 HydrophobicContact CD2-CB 4.13Å; Y52-I129 HydrophobicContact CD2-CG2 4.13Å; Y52-I129 HydrophobicContact CE2-CB 4.2Å; Y52-I129 HydrophobicContact CG-CG2 4.47Å; Y52-I129 PolarHBondContact OH-O 2.87Å; Y52-I129 VanDerWaalsContact OH-O 3.12Å; W97-I129 HydrophobicContact CB-CD1 4.36Å; Y117-I129 HydrophobicContact CD2-CG2 4.08Å; Y117-I129 HydrophobicContact CG-CG2 4.13Å; P123-I129 HydrophobicContact CB-CD1 4.49Å; P123-I129 HydrophobicContact CB-CG2 4.3Å; P123-I129 HydrophobicContact CG-CD1 3.91Å; P123-I129 HydrophobicContact CG-CG2 4.31Å; F126-I129 HydrophobicContact CD1-CD1 3.84Å; F126-I129 HydrophobicContact CD1-CG1 4.27Å; F126-I129 HydrophobicContact CE1-CD1 3.96Å; F126-I129 WeakPolarHBondContact O-CG1 3.3Å; F126-I129 PolarHBondContact O-N 2.96Å; N127-I129 PolarHBondContact O-N 3.33Å
130	S	94.3	Very high	93.6	Very high	14 Å²	14	43.6 Å²	43.6	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-92.6	-18.7	177.7	65.1	0	0	0	0	113.2	F126 N127 D132 T133 I134	F126-S130 PolarHBondContact O-N 3.47Å; F126-S130 VanDerWaalsContact O-N 3.12Å; F126-S130 PolarHBondContact O-OG 2.9Å; N127-S130 WeakPolarHBondContact CA-OG 3.14Å; N127-S130 PolarHBondContact O-N 3Å; N127-S130 PolarHBondContact O-OG 3Å; S130-D132 PolarHBondContact O-N 2.84Å; S130-T133 PolarHBondContact O-N 3.04Å; S130-I134 WeakPolarHBondContact O-CB 3.47Å; S130-I134 VanDerWaalsContact O-CG1 3.24Å; S130-I134 WeakPolarHBondContact O-CG1 3.3Å; S130-I134 PolarHBondContact O-N 3.01Å
131	A	95.8	Very high	94	Very high	33 Å²	33	41.9 Å²	41.9	27%	0.273	23%	0.233	S	C	.	.	H	α-helix	trans	-50	-52	-170.7	0	0	0	0	0	114.2	N127 I134 S135 L226	N127-A131 WeakPolarHBondContact O-CB 3.5Å; N127-A131 PolarHBondContact O-N 2.95Å; A131-I134 PolarHBondContact O-N 3.41Å; A131-S135 WeakPolarHBondContact O-CB 3.42Å; A131-S135 PolarHBondContact O-N 3.27Å; A131-L226 HydrophobicContact CB-CD1 3.97Å
132	D	96.2	Very high	94.4	Very high	46 Å²	46	44.5 Å²	44.5	25%	0.246	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-47.6	-177.2	-54	-56.6	0	0	0	110.5	K45 S130 I134 S135 E136	K45-D132 IonicContact NZ-OD1 3.88Å; K45-D132 PolarHBondContact NZ-OD1 3.13Å; K45-D132 IonicContact NZ-OD2 2.84Å; K45-D132 PolarHBondContact NZ-OD2 2.87Å; S130-D132 PolarHBondContact O-N 2.84Å; D132-I134 PolarHBondContact O-N 3.31Å; D132-S135 WeakPolarHBondContact O-CB 3.34Å; D132-S135 PolarHBondContact O-N 3.24Å; D132-E136 WeakPolarHBondContact O-CG 3.11Å; D132-E136 PolarHBondContact O-N 2.69Å
133	T	97.3	Very high	94.7	Very high	3 Å²	3	44 Å²	44	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-42.9	177.7	-54.1	0	0	0	0	112.4	L57 I81 V99 I114 S130 E136 I137	L57-T133 HydrophobicContact CD2-CG2 4.44Å; I81-T133 HydrophobicContact CD1-CG2 4.15Å; V99-T133 HydrophobicContact CG1-CG2 4.27Å; I114-T133 HydrophobicContact CD1-CG2 4.35Å; I114-T133 HydrophobicContact CG2-CG2 3.86Å; I114-T133 WeakPolarHBondContact CG2-OG1 3.43Å; S130-T133 PolarHBondContact O-N 3.04Å; T133-E136 PolarHBondContact O-N 3.23Å; T133-I137 HydrophobicContact CG2-CD1 4.01Å; T133-I137 WeakPolarHBondContact O-CD1 3.46Å; T133-I137 WeakPolarHBondContact O-CG1 3.49Å; T133-I137 PolarHBondContact O-N 2.95Å
134	I	98	Very high	95.1	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-67.3	-40.9	178.8	-65.3	-65.1	0	0	0	110.9	S130 A131 D132 E136 I137 K138 L226 F227 L230	S130-I134 WeakPolarHBondContact O-CB 3.47Å; S130-I134 VanDerWaalsContact O-CG1 3.24Å; S130-I134 WeakPolarHBondContact O-CG1 3.3Å; S130-I134 PolarHBondContact O-N 3.01Å; A131-I134 PolarHBondContact O-N 3.41Å; D132-I134 PolarHBondContact O-N 3.31Å; I134-E136 VanDerWaalsContact C-N 3.33Å; I134-E136 PolarHBondContact O-N 3.27Å; I134-I137 HydrophobicContact CD1-CD1 4.37Å; I134-I137 PolarHBondContact O-N 3.06Å; I134-K138 WeakPolarHBondContact O-CB 3.47Å; I134-K138 PolarHBondContact O-N 3.33Å; I134-L226 HydrophobicContact CG1-CB 4.37Å; I134-L226 HydrophobicContact CG2-CB 4.49Å; I134-F227 HydrophobicContact CD1-CD1 3.44Å; I134-F227 VanDerWaalsContact CD1-CD1 3.44Å; I134-F227 HydrophobicContact CD1-CD2 3.91Å; I134-F227 HydrophobicContact CD1-CE1 3.4Å; I134-F227 HydrophobicContact CD1-CE2 3.86Å; I134-F227 HydrophobicContact CD1-CG 3.71Å; I134-F227 HydrophobicContact CD1-CZ 3.62Å; I134-L230 HydrophobicContact CD1-CD1 3.76Å; I134-L230 HydrophobicContact CG2-CD1 4.36Å; I134-L230 HydrophobicContact CG2-CD2 4.01Å; I134-L230 HydrophobicContact CG2-CG 4.08Å
135	S	97.8	Very high	95.6	Very high	77 Å²	77	41.2 Å²	41.2	54%	0.538	22%	0.223	S	C	.	.	H	α-helix	trans	-59.3	-45.2	175.1	-170.5	0	0	0	0	111.4	A131 D132 K138 E139	A131-S135 WeakPolarHBondContact O-CB 3.42Å; A131-S135 PolarHBondContact O-N 3.27Å; D132-S135 WeakPolarHBondContact O-CB 3.34Å; D132-S135 PolarHBondContact O-N 3.24Å; S135-K138 PolarHBondContact O-N 2.96Å; S135-E139 PolarHBondContact O-N 2.79Å
136	E	98.2	Very high	96	Very high	25 Å²	25	39.8 Å²	39.8	12%	0.117	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-43	176.7	-69.8	-178.4	-76.7	0	0	112.2	H54 L57 K58 D132 T133 I134 K138 M140	H54-E136 IonicContact CE1-OE1 3.34Å; H54-E136 PolarHBondContact CE1-OE1 3.35Å; H54-E136 IonicContact NE2-OE1 2.85Å; H54-E136 PolarHBondContact NE2-OE1 3.15Å; L57-E136 HydrophobicContact CB-CB 4.37Å; L57-E136 WeakPolarHBondContact CB-OE1 3.45Å; L57-E136 VanDerWaalsContact N-CD 3.32Å; L57-E136 PolarHBondContact N-OE1 3.47Å; L57-E136 PolarHBondContact N-OE2 3.27Å; K58-E136 VanDerWaalsContact CB-OE2 3.28Å; K58-E136 WeakPolarHBondContact CB-OE2 3.43Å; K58-E136 PolarHBondContact N-OE2 2.83Å; D132-E136 WeakPolarHBondContact O-CG 3.11Å; D132-E136 PolarHBondContact O-N 2.69Å; T133-E136 PolarHBondContact O-N 3.23Å; I134-E136 VanDerWaalsContact C-N 3.33Å; I134-E136 PolarHBondContact O-N 3.27Å; E136-K138 VanDerWaalsContact C-N 3.35Å; E136-M140 HydrophobicContact CB-CE 4.32Å; E136-M140 WeakPolarHBondContact O-CB 3.37Å; E136-M140 WeakPolarHBondContact O-CE 3.12Å; E136-M140 VanDerWaalsContact O-CG 3.3Å; E136-M140 WeakPolarHBondContact O-CG 3.39Å; E136-M140 PolarHBondContact O-N 3.19Å
137	I	98.2	Very high	96.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-48.4	177	-67.3	161.7	0	0	0	109.8	L57 I81 T133 I134 E139 M140 T141 L158 L230	L57-I137 HydrophobicContact CD2-CD1 4.22Å; L57-I137 HydrophobicContact CD2-CG1 3.44Å; L57-I137 VanDerWaalsContact CD2-CG1 3.44Å; I81-I137 HydrophobicContact CD1-CD1 3.27Å; I81-I137 HydrophobicContact CD1-CG1 4.29Å; T133-I137 HydrophobicContact CG2-CD1 4.01Å; T133-I137 WeakPolarHBondContact O-CD1 3.46Å; T133-I137 WeakPolarHBondContact O-CG1 3.49Å; T133-I137 PolarHBondContact O-N 2.95Å; I134-I137 HydrophobicContact CD1-CD1 4.37Å; I134-I137 PolarHBondContact O-N 3.06Å; I137-E139 PolarHBondContact O-N 3.36Å; I137-M140 PolarHBondContact O-N 3.24Å; I137-T141 HydrophobicContact CG2-CG2 3.86Å; I137-T141 WeakPolarHBondContact O-CB 3.1Å; I137-T141 VanDerWaalsContact O-CG2 3.28Å; I137-T141 WeakPolarHBondContact O-CG2 3.2Å; I137-T141 PolarHBondContact O-N 3Å; I137-T141 PolarHBondContact O-OG1 2.96Å; I137-L158 HydrophobicContact CD1-CD2 4.33Å; I137-L158 HydrophobicContact CG2-CB 4.32Å; I137-L230 HydrophobicContact CB-CD1 4.38Å; I137-L230 HydrophobicContact CB-CD2 4.38Å; I137-L230 HydrophobicContact CD1-CD1 4.47Å; I137-L230 HydrophobicContact CG2-CD1 3.84Å; I137-L230 HydrophobicContact CG2-CD2 4.04Å
138	K	97.7	Very high	96	Very high	84 Å²	84	43 Å²	43	37%	0.365	24%	0.24	S	C	.	.	H	α-helix	trans	-56.2	-53	-178.7	-173.7	172.1	178.8	173.6	0	111.1	I134 S135 E136 M140 T141 E142 L230	I134-K138 WeakPolarHBondContact O-CB 3.47Å; I134-K138 PolarHBondContact O-N 3.33Å; S135-K138 PolarHBondContact O-N 2.96Å; E136-K138 VanDerWaalsContact C-N 3.35Å; K138-M140 VanDerWaalsContact C-N 3.33Å; K138-M140 PolarHBondContact O-N 3.14Å; K138-T141 WeakPolarHBondContact CA-OG1 3.34Å; K138-T141 PolarHBondContact O-N 3.46Å; K138-T141 PolarHBondContact O-OG1 2.88Å; K138-E142 WeakPolarHBondContact CE-OE1 3.38Å; K138-E142 WeakPolarHBondContact CG-OE1 3.5Å; K138-E142 WeakPolarHBondContact O-CB 3.31Å; K138-E142 WeakPolarHBondContact O-CG 3.27Å; K138-E142 PolarHBondContact O-N 3.18Å; K138-L230 HydrophobicContact CB-CD2 3.74Å; K138-L230 HydrophobicContact CG-CD2 4.38Å
139	E	96.9	Very high	95.9	Very high	84 Å²	84	47.1 Å²	47.1	39%	0.393	25%	0.253	S	S	.	.	H	α-helix	trans	-53	-50.1	176.9	-176.2	-165.6	146.7	0	0	111.4	K58 S135 I137 E142 T143	K58-E139 IonicContact NZ-OE1 3.28Å; K58-E139 PolarHBondContact NZ-OE1 2.91Å; S135-E139 PolarHBondContact O-N 2.79Å; I137-E139 PolarHBondContact O-N 3.36Å; E139-E142 PolarHBondContact O-N 2.91Å; E139-T143 PolarHBondContact O-N 3.43Å; E139-T143 PolarHBondContact O-OG1 3.33Å
140	M	97.1	Very high	95.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-73.5	-29.1	-176.5	-68.5	-173.4	-64.3	0	0	113.9	L57 K58 L61 E136 I137 K138 E142 G144 L145 I156	L57-M140 HydrophobicContact CD2-CE 3.59Å; L57-M140 HydrophobicContact CG-CE 3.81Å; K58-M140 HydrophobicContact CB-SD 4.05Å; K58-M140 HydrophobicContact CG-SD 4.01Å; L61-M140 HydrophobicContact CD1-CE 3.76Å; L61-M140 HydrophobicContact CD1-SD 3.92Å; E136-M140 HydrophobicContact CB-CE 4.32Å; E136-M140 WeakPolarHBondContact O-CB 3.37Å; E136-M140 WeakPolarHBondContact O-CE 3.12Å; E136-M140 VanDerWaalsContact O-CG 3.3Å; E136-M140 WeakPolarHBondContact O-CG 3.39Å; E136-M140 PolarHBondContact O-N 3.19Å; I137-M140 PolarHBondContact O-N 3.24Å; K138-M140 VanDerWaalsContact C-N 3.33Å; K138-M140 PolarHBondContact O-N 3.14Å; M140-E142 VanDerWaalsContact C-N 3.35Å; M140-G144 WeakPolarHBondContact O-CA 3.29Å; M140-G144 PolarHBondContact O-N 3.12Å; M140-L145 HydrophobicContact CG-CD1 4.38Å; M140-L145 HydrophobicContact SD-CB 4.39Å; M140-L145 HydrophobicContact SD-CD1 3.9Å; M140-L145 HydrophobicContact SD-CD2 4.28Å; M140-L145 HydrophobicContact SD-CG 4.43Å; M140-I156 HydrophobicContact CB-CB 4.06Å; M140-I156 HydrophobicContact CB-CG1 3.83Å; M140-I156 HydrophobicContact CB-CG2 4.46Å; M140-I156 HydrophobicContact SD-CG1 4.31Å
141	T	96	Very high	95.9	Very high	62 Å²	62	56.7 Å²	56.7	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-73.4	-30	174.8	52.3	0	0	0	0	112	I137 K138 I156	I137-T141 HydrophobicContact CG2-CG2 3.86Å; I137-T141 WeakPolarHBondContact O-CB 3.1Å; I137-T141 VanDerWaalsContact O-CG2 3.28Å; I137-T141 WeakPolarHBondContact O-CG2 3.2Å; I137-T141 PolarHBondContact O-N 3Å; I137-T141 PolarHBondContact O-OG1 2.96Å; K138-T141 WeakPolarHBondContact CA-OG1 3.34Å; K138-T141 PolarHBondContact O-N 3.46Å; K138-T141 PolarHBondContact O-OG1 2.88Å; T141-I156 WeakPolarHBondContact CG2-O 3.45Å
142	E	95.1	Very high	95.9	Very high	132 Å²	132	56.8 Å²	56.8	62%	0.617	29%	0.294	S	S	*	.	H	α-helix	trans	-83.8	-41.1	179.4	-70.8	172.1	179.5	0	0	112.2	K138 E139 M140	K138-E142 WeakPolarHBondContact CE-OE1 3.38Å; K138-E142 WeakPolarHBondContact CG-OE1 3.5Å; K138-E142 WeakPolarHBondContact O-CB 3.31Å; K138-E142 WeakPolarHBondContact O-CG 3.27Å; K138-E142 PolarHBondContact O-N 3.18Å; E139-E142 PolarHBondContact O-N 2.91Å; M140-E142 VanDerWaalsContact C-N 3.35Å
143	T	95.1	Very high	95.9	Very high	85 Å²	85	61.3 Å²	61.3	52%	0.521	31%	0.308	S	S	.	.	H	α-helix	trans	-110.2	-13.9	-171.7	63.7	0	0	0	0	114.5	E139 Y153	E139-T143 PolarHBondContact O-N 3.43Å; E139-T143 PolarHBondContact O-OG1 3.33Å; T143-Y153 VanDerWaalsContact O-CD1 3.3Å; T143-Y153 WeakPolarHBondContact O-CD1 3.44Å
144	G	96.2	Very high	96	Very high	13 Å²	13	61.1 Å²	61.1	13%	0.134	31%	0.307	C	S	.	.			trans	77	168.1	-167.3	0	0	0	0	0	112.8	M140 I154	M140-G144 WeakPolarHBondContact O-CA 3.29Å; M140-G144 PolarHBondContact O-N 3.12Å; G144-I154 CarbonylContact C-O 3.53Å; G144-I154 WeakPolarHBondContact CA-O 3.31Å
145	L	97.3	Very high	96	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.1	176.2	-177.9	57.6	0	0	0	110.4	K58 L61 L62 V65 M140 S147 I154 I156	K58-L145 HydrophobicContact CD-CD1 4.28Å; K58-L145 HydrophobicContact CG-CD1 3.6Å; L61-L145 HydrophobicContact CB-CD2 3.56Å; L61-L145 HydrophobicContact CD1-CD2 4.47Å; L62-L145 HydrophobicContact CD1-CD1 4.28Å; L62-L145 HydrophobicContact CD2-CD1 3.65Å; L62-L145 HydrophobicContact CD2-CD2 4Å; L62-L145 HydrophobicContact CD2-CG 3.67Å; L62-L145 HydrophobicContact CG-CD1 3.77Å; L62-L145 HydrophobicContact CG-CD2 4.09Å; L62-L145 HydrophobicContact CG-CG 4.12Å; V65-L145 HydrophobicContact CG2-CD2 4.12Å; M140-L145 HydrophobicContact CG-CD1 4.38Å; M140-L145 HydrophobicContact SD-CB 4.39Å; M140-L145 HydrophobicContact SD-CD1 3.9Å; M140-L145 HydrophobicContact SD-CD2 4.28Å; M140-L145 HydrophobicContact SD-CG 4.43Å; L145-S147 PolarHBondContact O-N 3.33Å; L145-I154 HydrophobicContact CB-CB 4.46Å; L145-I154 PolarHBondContact N-O 3.41Å; L145-I154 PolarHBondContact O-N 2.75Å; L145-I156 HydrophobicContact CB-CD1 4.01Å; L145-I156 HydrophobicContact CB-CG1 3.96Å; L145-I156 HydrophobicContact CD2-CD1 4.33Å
146	L	96.9	Very high	96	Very high	57 Å²	57	60.5 Å²	60.5	30%	0.298	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	116.2	176.6	176.6	60.9	0	0	0	111.5	L62 V148 Y153	L62-L146 WeakPolarHBondContact CD2-O 3.47Å; L146-V148 HydrophobicContact CD2-CG2 4.22Å; L146-V148 HydrophobicContact CG-CG2 4.28Å; L146-Y153 HydrophobicContact CB-CD1 4.04Å; L146-Y153 HydrophobicContact CB-CE1 3.71Å; L146-Y153 HydrophobicContact CD1-CD2 3.98Å; L146-Y153 HydrophobicContact CD1-CE1 4.42Å; L146-Y153 HydrophobicContact CD1-CE2 3.72Å; L146-Y153 HydrophobicContact CD1-CG 4.44Å; L146-Y153 HydrophobicContact CG-CE1 4.48Å
147	S	94.6	Very high	96	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	111.1	157.5	175.9	0	0	0	0	109.4	E66 L145 R149 F150 N151 K152	E66-S147 WeakPolarHBondContact CG-OG 3.21Å; E66-S147 PolarHBondContact OE1-OG 3.08Å; L145-S147 PolarHBondContact O-N 3.33Å; S147-R149 VanDerWaalsContact C-N 3.32Å; S147-F150 WeakPolarHBondContact OG-CD2 3.31Å; S147-F150 PolarHBondContact OG-N 2.97Å; S147-N151 VanDerWaalsContact O-CA 3.23Å; S147-N151 WeakPolarHBondContact O-CA 3.21Å; S147-N151 PolarHBondContact O-N 3.17Å; S147-K152 PolarHBondContact N-O 3.13Å; S147-K152 PolarHBondContact O-N 2.74Å; S147-K152 VanDerWaalsContact O-N 3.09Å
148	V	91.7	Very high	96	Very high	115 Å²	115	65.6 Å²	65.6	70%	0.697	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-39.2	176	178.4	0	0	0	0	110.5	L146 F150 N151	L146-V148 HydrophobicContact CD2-CG2 4.22Å; L146-V148 HydrophobicContact CG-CG2 4.28Å; V148-F150 VanDerWaalsContact C-N 3.27Å; V148-F150 PolarHBondContact O-N 3.16Å; V148-N151 PolarHBondContact O-N 3.04Å
149	R	90.7	Very high	96	Very high	151 Å²	151	62.2 Å²	62.2	57%	0.57	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-38.6	-179.5	-178.7	175.8	178.1	-178.8	-0.2	113.1	E66 S147	E66-R149 HydrophobicContact CG-CB 4.48Å; S147-R149 VanDerWaalsContact C-N 3.32Å
150	F	92.8	Very high	96.1	Very high	77 Å²	77	58.2 Å²	58.2	34%	0.338	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	1.3	-179.4	-65.6	-84.4	0	0	0	113.1	E66 L69 S147 V148 K152	E66-F150 HydrophobicContact CB-CE2 4.29Å; E66-F150 VanDerWaalsContact O-CE2 3.26Å; E66-F150 WeakPolarHBondContact O-CE2 3.22Å; L69-F150 HydrophobicContact CB-CD1 4.27Å; L69-F150 HydrophobicContact CB-CD2 3.86Å; L69-F150 HydrophobicContact CB-CE1 4.2Å; L69-F150 HydrophobicContact CB-CE2 3.81Å; L69-F150 HydrophobicContact CB-CG 4.1Å; L69-F150 HydrophobicContact CB-CZ 3.98Å; L69-F150 HydrophobicContact CD1-CB 3.98Å; L69-F150 HydrophobicContact CD1-CD2 3.81Å; L69-F150 HydrophobicContact CD1-CG 3.93Å; S147-F150 WeakPolarHBondContact OG-CD2 3.31Å; S147-F150 PolarHBondContact OG-N 2.97Å; V148-F150 VanDerWaalsContact C-N 3.27Å; V148-F150 PolarHBondContact O-N 3.16Å; F150-K152 HydrophobicContact CB-CB 4.32Å; F150-K152 PolarHBondContact O-N 2.95Å
151	N	94.7	Very high	96.1	Very high	139 Å²	139	58.1 Å²	58.1	74%	0.743	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	45.7	-173	-167.9	41.7	0	0	0	112.8	S147 V148	S147-N151 VanDerWaalsContact O-CA 3.23Å; S147-N151 WeakPolarHBondContact O-CA 3.21Å; S147-N151 PolarHBondContact O-N 3.17Å; V148-N151 PolarHBondContact O-N 3.04Å
152	K	95.2	Very high	96.3	Very high	36 Å²	36	55.2 Å²	55.2	16%	0.157	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134	-172.4	-168.7	175.8	-170.5	-174.3	0	111.2	L69 D73 F74 D75 S147 F150 I154	L69-K152 HydrophobicContact CD2-CD 4.38Å; D73-K152 IonicContact OD1-NZ 2.85Å; D73-K152 PolarHBondContact OD1-NZ 2.99Å; D73-K152 IonicContact OD2-NZ 2.98Å; D73-K152 PolarHBondContact OD2-NZ 3.39Å; F74-K152 WeakPolarHBondContact O-CE 3.33Å; F74-K152 PolarHBondContact O-NZ 3.19Å; D75-K152 WeakPolarHBondContact OD1-CE 3.48Å; D75-K152 IonicContact OD1-NZ 2.65Å; D75-K152 PolarHBondContact OD1-NZ 3.21Å; S147-K152 PolarHBondContact N-O 3.13Å; S147-K152 PolarHBondContact O-N 2.74Å; S147-K152 VanDerWaalsContact O-N 3.09Å; F150-K152 HydrophobicContact CB-CB 4.32Å; F150-K152 PolarHBondContact O-N 2.95Å; K152-I154 HydrophobicContact CD-CD1 3.99Å; K152-I154 HydrophobicContact CG-CD1 4.12Å
153	Y	97.4	Very high	96.4	Very high	140 Å²	140	48.9 Å²	48.9	55%	0.549	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.7	170	-76.4	-93	0	0	0	110.3	T143 L146	T143-Y153 VanDerWaalsContact O-CD1 3.3Å; T143-Y153 WeakPolarHBondContact O-CD1 3.44Å; L146-Y153 HydrophobicContact CB-CD1 4.04Å; L146-Y153 HydrophobicContact CB-CE1 3.71Å; L146-Y153 HydrophobicContact CD1-CD2 3.98Å; L146-Y153 HydrophobicContact CD1-CE1 4.42Å; L146-Y153 HydrophobicContact CD1-CE2 3.72Å; L146-Y153 HydrophobicContact CD1-CG 4.44Å; L146-Y153 HydrophobicContact CG-CE1 4.48Å
154	I	98.1	Very high	96.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.7	177.5	-56	-59.3	0	0	0	109.3	V65 L69 F74 L77 G144 L145 K152 I156	V65-I154 HydrophobicContact CG1-CG1 3.76Å; V65-I154 HydrophobicContact CG2-CG1 4.34Å; L69-I154 HydrophobicContact CD1-CD1 4.42Å; F74-I154 HydrophobicContact CD2-CD1 4.19Å; F74-I154 HydrophobicContact CD2-CG2 4.31Å; F74-I154 HydrophobicContact CE2-CD1 4Å; F74-I154 HydrophobicContact CE2-CG1 4.32Å; F74-I154 HydrophobicContact CE2-CG2 4.02Å; F74-I154 VanDerWaalsContact O-CD1 3.27Å; F74-I154 WeakPolarHBondContact O-CD1 3.17Å; L77-I154 HydrophobicContact CB-CG2 4.46Å; L77-I154 HydrophobicContact CD1-CG2 4.16Å; L77-I154 HydrophobicContact CG-CG2 3.75Å; G144-I154 CarbonylContact C-O 3.53Å; G144-I154 WeakPolarHBondContact CA-O 3.31Å; L145-I154 HydrophobicContact CB-CB 4.46Å; L145-I154 PolarHBondContact N-O 3.41Å; L145-I154 PolarHBondContact O-N 2.75Å; K152-I154 HydrophobicContact CD-CD1 3.99Å; K152-I154 HydrophobicContact CG-CD1 4.12Å; I154-I156 HydrophobicContact CG2-CD1 4.23Å; I154-I156 PolarHBondContact O-N 2.5Å
155	A	98.2	Very high	96.4	Very high	56 Å²	56	46.4 Å²	46.4	46%	0.463	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	128.2	177.1	0	0	0	0	0	110.7	D75 S76 L77	D75-A155 PolarHBondContact O-N 2.77Å; S76-A155 CarbonylContact C-O 3.59Å; S76-A155 WeakPolarHBondContact CA-O 3.39Å; L77-A155 PolarHBondContact N-O 2.75Å
156	I	98	Very high	96.3	Very high	13 Å²	13	49 Å²	49	7%	0.067	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.8	179.2	-56.2	-54.2	0	0	0	109.8	L61 L77 M140 T141 L145 I154	L61-I156 HydrophobicContact CD1-CD1 4.34Å; L77-I156 HydrophobicContact CB-CD1 3.85Å; L77-I156 HydrophobicContact CD1-CD1 3.88Å; L77-I156 HydrophobicContact CG-CD1 4.22Å; M140-I156 HydrophobicContact CB-CB 4.06Å; M140-I156 HydrophobicContact CB-CG1 3.83Å; M140-I156 HydrophobicContact CB-CG2 4.46Å; M140-I156 HydrophobicContact SD-CG1 4.31Å; T141-I156 WeakPolarHBondContact CG2-O 3.45Å; L145-I156 HydrophobicContact CB-CD1 4.01Å; L145-I156 HydrophobicContact CB-CG1 3.96Å; L145-I156 HydrophobicContact CD2-CD1 4.33Å; I154-I156 HydrophobicContact CG2-CD1 4.23Å; I154-I156 PolarHBondContact O-N 2.5Å
157	K	97.7	Very high	96.2	Very high	123 Å²	123	46.2 Å²	46.2	54%	0.535	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.7	171.6	-178.5	180	177.4	-178	0	110.3	L77 Q78 L79 S159	L77-K157 PolarHBondContact O-N 3.38Å; Q78-K157 WeakPolarHBondContact CA-O 3.4Å; L79-K157 PolarHBondContact N-O 3.33Å; K157-S159 PolarHBondContact O-N 3.5Å
158	L	98.3	Very high	96.3	Very high	10 Å²	10	46.5 Å²	46.5	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	106.2	164.8	178.7	63.6	0	0	0	108.4	L79 I81 I137 V161 F227 L230 I232 T237	L79-L158 HydrophobicContact CD2-CD1 4.44Å; L79-L158 HydrophobicContact CG-CD1 4.44Å; I81-L158 HydrophobicContact CB-CD1 4.3Å; I81-L158 HydrophobicContact CD1-CD1 3.68Å; I81-L158 HydrophobicContact CG1-CD1 3.78Å; I137-L158 HydrophobicContact CD1-CD2 4.33Å; I137-L158 HydrophobicContact CG2-CB 4.32Å; L158-V161 HydrophobicContact CD1-CG2 4.37Å; L158-V161 HydrophobicContact CD2-CG2 4.06Å; L158-F227 HydrophobicContact CD2-CD1 4.4Å; L158-F227 HydrophobicContact CD2-CE1 4.19Å; L158-L230 HydrophobicContact CD2-CD1 4.01Å; L158-I232 HydrophobicContact CD2-CD1 4.18Å; L158-I232 HydrophobicContact CD2-CG2 4.41Å; L158-T237 HydrophobicContact CD2-CG2 4.45Å; L158-T237 HydrophobicContact CG-CG2 4.29Å
159	S	98	Very high	96.6	Very high	12 Å²	12	41.3 Å²	41.3	8%	0.084	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-36.8	-176.8	-68.5	0	0	0	0	112.4	Q78 L79 Y80 K157 H394	Q78-S159 PolarHBondContact OE1-OG 2.92Å; L79-S159 PolarHBondContact O-N 3.28Å; Y80-S159 VanDerWaalsContact CE1-CB 3.49Å; K157-S159 PolarHBondContact O-N 3.5Å; S159-H394 PolarHBondContact O-CE1 2.83Å
160	A	98.7	Very high	96.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	153.1	177.3	0	0	0	0	0	113.9	Y80 I81 I162 T237 P239	Y80-A160 WeakPolarHBondContact CA-O 3.47Å; Y80-A160 HydrophobicContact CD1-CB 3.48Å; Y80-A160 VanDerWaalsContact CD1-CB 3.48Å; Y80-A160 HydrophobicContact CD2-CB 4.46Å; Y80-A160 HydrophobicContact CE1-CB 3.37Å; Y80-A160 HydrophobicContact CE2-CB 4.38Å; Y80-A160 HydrophobicContact CG-CB 4.04Å; I81-A160 PolarHBondContact N-O 3.22Å; A160-I162 HydrophobicContact CB-CD1 3.72Å; A160-T237 CarbonylContact C-O 3.55Å; A160-T237 VanDerWaalsContact CA-O 3.26Å; A160-T237 WeakPolarHBondContact CA-O 3.33Å; A160-P239 HydrophobicContact CB-CG 3.98Å
161	V	98.7	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	103	168.7	-174.5	0	0	0	0	108.2	I81 L158 F227 T237 F238	I81-V161 CarbonylContact O-C 3.56Å; I81-V161 VanDerWaalsContact O-CA 3.3Å; I81-V161 WeakPolarHBondContact O-CA 3.42Å; L158-V161 HydrophobicContact CD1-CG2 4.37Å; L158-V161 HydrophobicContact CD2-CG2 4.06Å; V161-F227 HydrophobicContact CG1-CE1 4.42Å; V161-F227 HydrophobicContact CG1-CZ 4.2Å; V161-F227 HydrophobicContact CG2-CD1 4.15Å; V161-F227 HydrophobicContact CG2-CE1 3.55Å; V161-F227 HydrophobicContact CG2-CZ 4.15Å; V161-T237 HydrophobicContact CG2-CG2 4.36Å; V161-T237 PolarHBondContact N-O 3.03Å; V161-F238 HydrophobicContact CB-CD1 3.71Å; V161-F238 HydrophobicContact CB-CE1 3.56Å; V161-F238 HydrophobicContact CB-CG 4.38Å; V161-F238 HydrophobicContact CB-CZ 4.09Å; V161-F238 HydrophobicContact CG1-CD1 3.99Å; V161-F238 HydrophobicContact CG1-CE1 3.56Å; V161-F238 HydrophobicContact CG1-CZ 4.34Å; V161-F238 HydrophobicContact CG2-CE1 4.03Å; V161-F238 HydrophobicContact CG2-CZ 4.06Å
162	I	98.6	Very high	97.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118	-174.6	-49.5	-52.8	0	0	0	109.3	Y80 I81 N82 V83 A160 P239 D241 F400 A402 F405	Y80-I162 HydrophobicContact CD2-CD1 4.41Å; Y80-I162 HydrophobicContact CD2-CG1 4.32Å; I81-I162 PolarHBondContact O-N 2.82Å; N82-I162 VanDerWaalsContact CA-O 3.27Å; N82-I162 WeakPolarHBondContact CA-O 3.03Å; N82-I162 HydrophobicContact CB-CB 4.41Å; N82-I162 PolarHBondContact ND2-O 3.38Å; V83-I162 PolarHBondContact N-O 3.01Å; A160-I162 HydrophobicContact CB-CD1 3.72Å; I162-P239 HydrophobicContact CD1-CG 3.5Å; I162-D241 HydrophobicContact CG2-CB 4.36Å; I162-F400 HydrophobicContact CD1-CB 4.02Å; I162-A402 HydrophobicContact CG2-CB 4.06Å; I162-F405 HydrophobicContact CB-CD2 4.44Å; I162-F405 HydrophobicContact CB-CE2 4.08Å; I162-F405 HydrophobicContact CG1-CE2 3.9Å; I162-F405 HydrophobicContact CG2-CD2 4.36Å; I162-F405 HydrophobicContact CG2-CE2 4.34Å
163	C	97.2	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-140.1	153.7	178	-58.1	0	0	0	0	110.3	V83 A167 R168	V83-C163 PolarHBondContact O-SG 3.04Å; C163-A167 HydrophobicContact CB-CB 4.04Å; C163-R168 HydrophobicContact CB-CB 3.84Å; C163-R168 PolarHBondContact O-NH2 3.18Å
164	D	95.9	Very high	97.2	Very high	31 Å²	31	18.5 Å²	18.5	17%	0.166	11%	0.105	C	C	.	.			trans	-67.4	169.8	158.7	87.9	-15.7	0	0	0	110.4	P166 A167 R168 H244	D164-P166 WeakPolarHBondContact OD1-CD 3.17Å; D164-P166 WeakPolarHBondContact OD2-CD 3.2Å; D164-A167 PolarHBondContact O-N 3.12Å; D164-A167 WeakPolarHBondContact OD1-CB 3.43Å; D164-A167 PolarHBondContact OD1-N 3.46Å; D164-R168 WeakPolarHBondContact O-CB 3.43Å; D164-R168 PolarHBondContact O-N 2.79Å; D164-H244 HydrophobicContact CB-CB 4.4Å
165	A	96.1	Very high	97.2	Very high	14 Å²	14	19.6 Å²	19.6	12%	0.116	11%	0.111	C	C	.	.	H	α-helix	trans	-63.8	-45.2	-175.2	0	0	0	0	0	113.7	R168 S169 H177 Y379	A165-R168 PolarHBondContact O-N 3.25Å; A165-S169 PolarHBondContact O-N 2.85Å; A165-H177 HydrophobicContact CB-CB 4.34Å; A165-Y379 HydrophobicContact CB-CD1 4.44Å; A165-Y379 HydrophobicContact CB-CE1 3.73Å
166	P	94.9	Very high	97	Very high	54 Å²	54	20.2 Å²	20.2	35%	0.351	11%	0.107	S	C	.	.	H	α-helix	trans	-53.7	-54	170.5	-27.2	33.4	0	0	0	114.3	D164 R168 S169 D170	D164-P166 WeakPolarHBondContact OD1-CD 3.17Å; D164-P166 WeakPolarHBondContact OD2-CD 3.2Å; P166-R168 VanDerWaalsContact C-N 3.32Å; P166-R168 PolarHBondContact O-N 2.74Å; P166-S169 PolarHBondContact O-N 3.23Å; P166-S169 VanDerWaalsContact O-N 3.16Å; P166-S169 PolarHBondContact O-OG 3.22Å; P166-D170 PolarHBondContact O-N 2.97Å
167	A	95.5	Very high	96.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.3	-38.9	-179.6	0	0	0	0	0	111.3	V83 W97 C163 D164 S169 D170 V171	V83-A167 WeakPolarHBondContact O-CB 3.07Å; W97-A167 HydrophobicContact CH2-CB 4.18Å; W97-A167 HydrophobicContact CZ3-CB 3.81Å; C163-A167 HydrophobicContact CB-CB 4.04Å; D164-A167 PolarHBondContact O-N 3.12Å; D164-A167 WeakPolarHBondContact OD1-CB 3.43Å; D164-A167 PolarHBondContact OD1-N 3.46Å; A167-S169 VanDerWaalsContact C-N 3.31Å; A167-S169 PolarHBondContact O-N 2.99Å; A167-D170 PolarHBondContact O-N 3.3Å; A167-V171 WeakPolarHBondContact O-CB 3.5Å; A167-V171 VanDerWaalsContact O-CG2 3.28Å; A167-V171 WeakPolarHBondContact O-CG2 3.36Å; A167-V171 PolarHBondContact O-N 2.64Å
168	R	97.1	Very high	96.7	Very high	5 Å²	5	19.9 Å²	19.9	2%	0.019	11%	0.109	C	C	.	.	H	α-helix	trans	-57.4	-45.6	173.8	-169.1	-176.7	-59.1	108.4	9.6	111.1	C163 D164 A165 P166 D170 V171 R172 D184 F238 P239 Y379	C163-R168 HydrophobicContact CB-CB 3.84Å; C163-R168 PolarHBondContact O-NH2 3.18Å; D164-R168 WeakPolarHBondContact O-CB 3.43Å; D164-R168 PolarHBondContact O-N 2.79Å; A165-R168 PolarHBondContact O-N 3.25Å; P166-R168 VanDerWaalsContact C-N 3.32Å; P166-R168 PolarHBondContact O-N 2.74Å; R168-D170 VanDerWaalsContact C-N 3.35Å; R168-D170 PolarHBondContact O-N 2.9Å; R168-V171 PolarHBondContact O-N 2.76Å; R168-R172 HydrophobicContact CG-CG 4.37Å; R168-R172 VanDerWaalsContact O-CB 3.29Å; R168-R172 WeakPolarHBondContact O-CB 3.45Å; R168-R172 WeakPolarHBondContact O-CG 3.34Å; R168-R172 PolarHBondContact O-N 3.25Å; R168-D184 IonicContact NH1-OD2 3.79Å; R168-D184 PolarHBondContact NH1-OD2 3.16Å; R168-F238 HydrophobicContact CG-CD1 4.41Å; R168-P239 PolarHBondContact NE-O 2.6Å; R168-P239 PolarHBondContact NH2-O 3.09Å; R168-Y379 PolarHBondContact NH1-OH 3.46Å
169	S	96.8	Very high	96.6	Very high	6 Å²	6	20 Å²	20	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-66.9	-35.8	-179.9	70.1	0	0	0	0	113.1	A165 P166 A167 Y173 T174	A165-S169 PolarHBondContact O-N 2.85Å; P166-S169 PolarHBondContact O-N 3.23Å; P166-S169 VanDerWaalsContact O-N 3.16Å; P166-S169 PolarHBondContact O-OG 3.22Å; A167-S169 VanDerWaalsContact C-N 3.31Å; A167-S169 PolarHBondContact O-N 2.99Å; S169-Y173 WeakPolarHBondContact O-CA 3.09Å; S169-Y173 PolarHBondContact O-N 3.15Å; S169-T174 WeakPolarHBondContact CA-OG1 3.46Å; S169-T174 PolarHBondContact O-N 3.4Å
170	D	95.2	Very high	96.6	Very high	28 Å²	28	25.3 Å²	25.3	15%	0.15	14%	0.135	C	C	.	.	H	α-helix	trans	-71.4	-42.8	176.9	-82.8	-17.6	0	0	0	111.2	K122 F126 P166 A167 R168 Y173	K122-D170 VanDerWaalsContact NZ-CG 3.27Å; K122-D170 IonicContact NZ-OD1 2.75Å; K122-D170 PolarHBondContact NZ-OD1 2.72Å; K122-D170 IonicContact NZ-OD2 2.83Å; K122-D170 PolarHBondContact NZ-OD2 3.3Å; F126-D170 HydrophobicContact CD2-CB 3.67Å; F126-D170 HydrophobicContact CE1-CB 4.34Å; F126-D170 HydrophobicContact CE2-CB 3.47Å; F126-D170 VanDerWaalsContact CE2-CB 3.47Å; F126-D170 HydrophobicContact CG-CB 4.2Å; F126-D170 HydrophobicContact CZ-CB 3.83Å; P166-D170 PolarHBondContact O-N 2.97Å; A167-D170 PolarHBondContact O-N 3.3Å; R168-D170 VanDerWaalsContact C-N 3.35Å; R168-D170 PolarHBondContact O-N 2.9Å; D170-Y173 WeakPolarHBondContact O-CD2 3.39Å; D170-Y173 PolarHBondContact O-N 3.47Å
171	V	96.2	Very high	96.6	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.03	14%	0.135	C	C	.	.	H	α-helix	trans	-67.1	-39.7	177.8	171.2	0	0	0	0	112.1	V83 F126 A167 R168 S225 F227 F238	V83-V171 HydrophobicContact CB-CG2 4.03Å; V83-V171 HydrophobicContact CG1-CG2 3.85Å; V83-V171 HydrophobicContact CG2-CG2 4.5Å; F126-V171 HydrophobicContact CD1-CG2 3.87Å; F126-V171 HydrophobicContact CE1-CG2 4.3Å; A167-V171 WeakPolarHBondContact O-CB 3.5Å; A167-V171 VanDerWaalsContact O-CG2 3.28Å; A167-V171 WeakPolarHBondContact O-CG2 3.36Å; A167-V171 PolarHBondContact O-N 2.64Å; R168-V171 PolarHBondContact O-N 2.76Å; V171-S225 VanDerWaalsContact O-CB 3.3Å; V171-S225 WeakPolarHBondContact O-CB 3.41Å; V171-S225 PolarHBondContact O-OG 3.12Å; V171-F227 HydrophobicContact CG1-CD2 3.67Å; V171-F227 HydrophobicContact CG1-CE2 3.42Å; V171-F227 VanDerWaalsContact CG1-CE2 3.42Å; V171-F227 HydrophobicContact CG1-CZ 4.32Å; V171-F238 HydrophobicContact CG1-CE1 3.82Å; V171-F238 HydrophobicContact CG1-CZ 4.36Å
172	R	97.3	Very high	96.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-2.6	-179.5	-65.7	176.7	75.3	-152.5	5.5	113.8	R168 T174 D184 F212 M234 I235 F238	R168-R172 HydrophobicContact CG-CG 4.37Å; R168-R172 VanDerWaalsContact O-CB 3.29Å; R168-R172 WeakPolarHBondContact O-CB 3.45Å; R168-R172 WeakPolarHBondContact O-CG 3.34Å; R168-R172 PolarHBondContact O-N 3.25Å; R172-T174 VanDerWaalsContact C-N 3.31Å; R172-T174 HydrophobicContact CB-CG2 4.03Å; R172-T174 PolarHBondContact O-N 3.03Å; R172-D184 IonicContact NH1-OD1 2.91Å; R172-D184 PolarHBondContact NH1-OD1 3.3Å; R172-F212 HydrophobicContact CB-CZ 4.16Å; R172-F212 VanDerWaalsContact NH2-CD2 3.31Å; R172-M234 VanDerWaalsContact CZ-O 3.25Å; R172-M234 PolarHBondContact NE-O 3.33Å; R172-M234 PolarHBondContact NH2-O 2.88Å; R172-I235 VanDerWaalsContact NH2-CD1 3.27Å; R172-F238 HydrophobicContact CG-CD1 3.85Å; R172-F238 HydrophobicContact CG-CD2 4.41Å; R172-F238 HydrophobicContact CG-CE1 3.8Å; R172-F238 HydrophobicContact CG-CE2 4.38Å; R172-F238 HydrophobicContact CG-CG 4.16Å; R172-F238 HydrophobicContact CG-CZ 4.08Å
173	Y	97.2	Very high	96.5	Very high	31 Å²	31	25.4 Å²	25.4	12%	0.122	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	45.6	-174.8	-75.7	-113	0	0	0	112.4	Q125 F126 N127 S169 D170 K222	Q125-Y173 PolarHBondContact OE1-OH 3.14Å; F126-Y173 HydrophobicContact CB-CE2 4.07Å; F126-Y173 PolarHBondContact N-OH 3.49Å; F126-Y173 VanDerWaalsContact N-OH 3.15Å; N127-Y173 PolarHBondContact N-OH 2.99Å; N127-Y173 VanDerWaalsContact N-OH 3.16Å; N127-Y173 PolarHBondContact ND2-OH 3.31Å; N127-Y173 WeakPolarHBondContact OD1-CE2 3.23Å; S169-Y173 WeakPolarHBondContact O-CA 3.09Å; S169-Y173 PolarHBondContact O-N 3.15Å; D170-Y173 WeakPolarHBondContact O-CD2 3.39Å; D170-Y173 PolarHBondContact O-N 3.47Å; Y173-K222 WeakPolarHBondContact O-CB 3.34Å; Y173-K222 PolarHBondContact O-N 3.06Å
174	T	97.9	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-112.4	168.1	177.8	59.6	0	0	0	0	112.2	S169 R172 F212 H220 K222	S169-T174 WeakPolarHBondContact CA-OG1 3.46Å; S169-T174 PolarHBondContact O-N 3.4Å; R172-T174 VanDerWaalsContact C-N 3.31Å; R172-T174 HydrophobicContact CB-CG2 4.03Å; R172-T174 PolarHBondContact O-N 3.03Å; T174-F212 HydrophobicContact CG2-CE2 3.59Å; T174-F212 HydrophobicContact CG2-CZ 3.76Å; T174-H220 CarbonylContact C-O 3.48Å; T174-H220 VanDerWaalsContact CA-O 3.22Å; T174-H220 WeakPolarHBondContact CA-O 3.35Å; T174-H220 WeakPolarHBondContact CB-O 3.45Å; T174-H220 WeakPolarHBondContact CG2-NE2 3.31Å; T174-K222 WeakPolarHBondContact O-CD 3.33Å; T174-K222 WeakPolarHBondContact O-CE 3.22Å; T174-K222 PolarHBondContact O-NZ 3.15Å
175	V	97.5	Very high	96.6	Very high	24 Å²	24	24.7 Å²	24.7	15%	0.145	13%	0.131	C	C	.	.			trans	-63.3	146.6	168.5	-64.1	0	0	0	0	110.5	A181 I219 H220	V175-A181 HydrophobicContact CG2-CB 4.41Å; V175-A181 WeakPolarHBondContact CG2-O 3.22Å; V175-I219 WeakPolarHBondContact CG1-O 3.12Å; V175-H220 PolarHBondContact N-O 3.34Å
176	N	95.4	Very high	96.7	Very high	68 Å²	68	24.1 Å²	24.1	36%	0.364	13%	0.126	S	C	.	.			trans	-70.9	171.1	-178.5	65	18.7	0	0	0	111.3	N178 G179 G182	N176-N178 PolarHBondContact O-N 3.49Å; N176-N178 WeakPolarHBondContact OD1-CA 3.42Å; N176-N178 PolarHBondContact OD1-N 3.22Å; N176-N178 VanDerWaalsContact OD1-N 3.12Å; N176-G179 PolarHBondContact O-N 2.94Å; N176-G179 PolarHBondContact OD1-N 3.13Å; N176-G182 WeakPolarHBondContact O-CA 3.49Å
177	H	93.5	Very high	96.8	Very high	54 Å²	54	23.7 Å²	23.7	25%	0.25	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-14.9	177.1	63.3	-92.3	0	0	0	114.8	A165 Y379	A165-H177 HydrophobicContact CB-CB 4.34Å; H177-Y379 HydrophobicContact CB-CD1 3.78Å; H177-Y379 HydrophobicContact CB-CD2 3.7Å; H177-Y379 HydrophobicContact CB-CE1 4.24Å; H177-Y379 HydrophobicContact CB-CE2 4.13Å; H177-Y379 HydrophobicContact CB-CG 3.52Å
178	N	95.3	Very high	96.9	Very high	75 Å²	75	23.8 Å²	23.8	40%	0.401	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	3.4	175.6	-65.7	-42.1	0	0	0	113.2	N176 M197	N176-N178 PolarHBondContact O-N 3.49Å; N176-N178 WeakPolarHBondContact OD1-CA 3.42Å; N176-N178 PolarHBondContact OD1-N 3.22Å; N176-N178 VanDerWaalsContact OD1-N 3.12Å; N178-M197 HydrophobicContact CB-CB 4.4Å; N178-M197 WeakPolarHBondContact O-CE 3.09Å
179	G	96.5	Very high	97	Very high	14 Å²	14	27.1 Å²	27.1	14%	0.144	14%	0.141	C	C	.	.	S	Bend	trans	-80.8	157.7	177	0	0	0	0	0	112.4	N176 A181 G182	N176-G179 PolarHBondContact O-N 2.94Å; N176-G179 PolarHBondContact OD1-N 3.13Å; G179-A181 PolarHBondContact O-N 2.84Å; G179-G182 WeakPolarHBondContact O-CA 2.78Å; G179-G182 PolarHBondContact O-N 3.09Å
180	K	97.6	Very high	97	Very high	123 Å²	123	27.1 Å²	27.1	54%	0.535	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-48.7	179.3	-174.9	177.1	-179.4	-179.4	0	111.5	G182 N189 G190	K180-G182 VanDerWaalsContact C-N 3.28Å; K180-G182 PolarHBondContact O-N 2.87Å; K180-N189 HydrophobicContact CG-CB 4.29Å; K180-N189 CarbonylContact O-C 3.38Å; K180-N189 WeakPolarHBondContact O-CA 3.32Å; K180-G190 PolarHBondContact O-N 3.47Å
181	A	98	Very high	97.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	42.8	172.3	0	0	0	0	0	111.4	V175 G179 C183 I219 H220	V175-A181 HydrophobicContact CG2-CB 4.41Å; V175-A181 WeakPolarHBondContact CG2-O 3.22Å; G179-A181 PolarHBondContact O-N 2.84Å; A181-C183 VanDerWaalsContact C-N 3.32Å; A181-C183 PolarHBondContact O-N 3.44Å; A181-I219 HydrophobicContact CB-CD1 3.89Å; A181-I219 HydrophobicContact CB-CG1 3.76Å; A181-H220 HydrophobicContact CB-CB 3.98Å; A181-H220 PolarHBondContact O-ND1 3.38Å
182	G	97.3	Very high	97.2	Very high	1 Å²	1	40 Å²	40	1%	0.01	19%	0.188	C	C	.	.			trans	-73	-12.2	-171.1	0	0	0	0	0	116.5	N176 G179 K180 D184 Y379	N176-G182 WeakPolarHBondContact O-CA 3.49Å; G179-G182 WeakPolarHBondContact O-CA 2.78Å; G179-G182 PolarHBondContact O-N 3.09Å; K180-G182 VanDerWaalsContact C-N 3.28Å; K180-G182 PolarHBondContact O-N 2.87Å; G182-D184 PolarHBondContact O-N 3.5Å; G182-Y379 WeakPolarHBondContact O-CE2 3.32Å
183	C	98.1	Very high	97.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.			trans	-75.2	126.5	-179.9	-174.9	0	0	0	0	111.3	A181 R185 C186 V188 F199 R207 H220 H382	A181-C183 VanDerWaalsContact C-N 3.32Å; A181-C183 PolarHBondContact O-N 3.44Å; C183-R185 PolarHBondContact O-N 3Å; C183-R185 PolarHBondContact SG-N 3.49Å; C183-C186 PolarHBondContact SG-N 3.36Å; C183-C186 VanDerWaalsContact SG-SG 3.61Å; C183-V188 HydrophobicContact CB-CG1 3.61Å; C183-F199 HydrophobicContact CB-CE1 4.47Å; C183-R207 PolarHBondContact O-NE 3.02Å; C183-R207 PolarHBondContact O-NH2 2.97Å; C183-R207 VanDerWaalsContact O-NH2 3.12Å; C183-H220 PolarHBondContact O-CE1 3.33Å; C183-H382 PolarHBondContact SG-NE2 3.06Å
184	D	97	Very high	96.9	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.027	22%	0.224	C	C	.	.	S	Bend	trans	-73	-15.6	179.5	-73.4	-59.3	0	0	0	113.7	R168 R172 G182 Y379	R168-D184 IonicContact NH1-OD2 3.79Å; R168-D184 PolarHBondContact NH1-OD2 3.16Å; R172-D184 IonicContact NH1-OD1 2.91Å; R172-D184 PolarHBondContact NH1-OD1 3.3Å; G182-D184 PolarHBondContact O-N 3.5Å; D184-Y379 PolarHBondContact OD2-OH 2.93Å
185	R	97.5	Very high	96.7	Very high	11 Å²	11	50.1 Å²	50.1	4%	0.042	26%	0.263	C	S	.	.	S	Bend	trans	-116.6	-30.5	-165.7	-66.1	-78.1	-178.5	-106.7	1.3	113.8	C183 L206 R207 I235 F238 P239 L240 H386 D390	C183-R185 PolarHBondContact O-N 3Å; C183-R185 PolarHBondContact SG-N 3.49Å; R185-L206 CarbonylContact O-C 3.36Å; R185-L206 WeakPolarHBondContact O-CA 3.25Å; R185-R207 PolarHBondContact O-N 2.98Å; R185-I235 VanDerWaalsContact NH1-CG2 3.33Å; R185-I235 PolarHBondContact NH1-O 3.38Å; R185-F238 PolarHBondContact NH1-O 3.12Å; R185-F238 PolarHBondContact NH2-O 3.34Å; R185-P239 VanDerWaalsContact NH2-CA 3.33Å; R185-L240 HydrophobicContact CG-CD1 4.3Å; R185-H386 HydrophobicContact CB-CB 3.79Å; R185-H386 VanDerWaalsContact CB-CD2 3.48Å; R185-H386 WeakPolarHBondContact CB-CD2 3.14Å; R185-H386 HydrophobicContact CG-CB 3.58Å; R185-D390 IonicContact CZ-OD1 3.58Å; R185-D390 IonicContact CZ-OD2 3.71Å; R185-D390 IonicContact NE-OD1 2.63Å; R185-D390 IonicContact NE-OD2 2.68Å; R185-D390 IonicContact NH2-OD1 3.46Å; R185-D390 PolarHBondContact NH2-OD1 3.13Å; R185-D390 IonicContact NH2-OD2 3.19Å; R185-D390 PolarHBondContact NH2-OD2 3.45Å
186	C	98.2	Very high	96.6	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.007	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-137.4	165.9	178.4	73.9	0	0	0	0	112.3	C183 V188 T205 L206 R207	C183-C186 PolarHBondContact SG-N 3.36Å; C183-C186 VanDerWaalsContact SG-SG 3.61Å; C186-V188 PolarHBondContact O-N 3.43Å; C186-V188 WeakPolarHBondContact SG-CG1 3.38Å; C186-T205 VanDerWaalsContact CA-O 3.29Å; C186-T205 WeakPolarHBondContact CA-O 3.48Å; C186-T205 WeakPolarHBondContact CB-O 3.36Å; C186-L206 HydrophobicContact CB-CD2 4.01Å; C186-R207 PolarHBondContact O-NE 3.37Å; C186-R207 PolarHBondContact O-NH2 3.18Å; C186-R207 VanDerWaalsContact O-NH2 3.15Å
187	V	98.3	Very high	96.7	Very high	45 Å²	45	49.9 Å²	49.9	27%	0.273	26%	0.257	S	S	.	.			trans	-83.1	11.5	-174.2	-58	0	0	0	0	114.4	N189 T205 R207 Q217	V187-N189 PolarHBondContact O-N 3.34Å; V187-T205 PolarHBondContact N-O 2.84Å; V187-R207 HydrophobicContact CG1-CG 4.43Å; V187-Q217 PolarHBondContact O-NE2 3.08Å
188	V	98.1	Very high	96.9	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.012	25%	0.245	C	C	.	.			trans	-52.8	136.4	-179.6	63.6	0	0	0	0	111.7	C183 C186 F199 P200 Y204	C183-V188 HydrophobicContact CB-CG1 3.61Å; C186-V188 PolarHBondContact O-N 3.43Å; C186-V188 WeakPolarHBondContact SG-CG1 3.38Å; V188-F199 HydrophobicContact CG1-CB 4.49Å; V188-F199 HydrophobicContact CG1-CD1 3.72Å; V188-F199 HydrophobicContact CG1-CE1 4.49Å; V188-P200 HydrophobicContact CG2-CG 4.13Å; V188-Y204 HydrophobicContact CB-CD1 3.9Å; V188-Y204 HydrophobicContact CB-CD2 3.75Å; V188-Y204 HydrophobicContact CB-CE1 4.1Å; V188-Y204 HydrophobicContact CB-CE2 3.93Å; V188-Y204 HydrophobicContact CB-CG 3.73Å; V188-Y204 HydrophobicContact CG2-CD1 4.07Å; V188-Y204 HydrophobicContact CG2-CD2 3.97Å; V188-Y204 HydrophobicContact CG2-CE1 3.73Å; V188-Y204 HydrophobicContact CG2-CE2 3.59Å; V188-Y204 HydrophobicContact CG2-CG 4.2Å; V188-Y204 VanDerWaalsContact CG2-CZ 3.48Å
189	N	98.2	Very high	97	Very high	75 Å²	75	43.8 Å²	43.8	40%	0.401	23%	0.226	S	C	.	.			trans	-93.3	114.2	169.6	-75	-45.5	0	0	0	109.3	K180 V187	K180-N189 HydrophobicContact CG-CB 4.29Å; K180-N189 CarbonylContact O-C 3.38Å; K180-N189 WeakPolarHBondContact O-CA 3.32Å; V187-N189 PolarHBondContact O-N 3.34Å
190	G	97.9	Very high	97	Very high	6 Å²	6	44.5 Å²	44.5	6%	0.062	23%	0.228	C	C	.	.			trans	-66.3	155.2	169.6	0	0	0	0	0	112.6	K180 M197 T198	K180-G190 PolarHBondContact O-N 3.47Å; G190-M197 VanDerWaalsContact C-SD 3.51Å; G190-T198 CarbonylContact C-O 3.55Å; G190-T198 WeakPolarHBondContact CA-O 3.3Å
191	R	97.3	Very high	96.9	Very high	114 Å²	114	40.5 Å²	40.5	43%	0.43	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.9	176.8	59.3	-179.1	-178.2	-178.1	3	109.8	L193 T198	R191-L193 HydrophobicContact CG-CD1 4.4Å; R191-L193 HydrophobicContact CG-CG 4.21Å; R191-T198 PolarHBondContact N-O 3.45Å; R191-T198 PolarHBondContact O-N 3.37Å; R191-T198 PolarHBondContact O-OG1 3.02Å
192	R	97.4	Very high	96.6	Very high	190 Å²	190	42.1 Å²	42.1	72%	0.717	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	122	174.7	-78.8	-169.9	167.9	132	0	110.5	K196 M197	R192-K196 CarbonylContact C-O 3.46Å; R192-K196 VanDerWaalsContact CA-O 3.26Å; R192-K196 WeakPolarHBondContact CA-O 3.24Å; R192-M197 HydrophobicContact CG-CE 3.88Å
193	L	96.4	Very high	96.5	Very high	46 Å²	46	49.3 Å²	49.3	24%	0.241	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.6	173.9	-62.4	179.7	0	0	0	108.3	R191 G195 K196 T198 C374 E375	R191-L193 HydrophobicContact CG-CD1 4.4Å; R191-L193 HydrophobicContact CG-CG 4.21Å; L193-G195 PolarHBondContact O-N 2.84Å; L193-K196 PolarHBondContact N-O 3.38Å; L193-K196 PolarHBondContact O-N 3.29Å; L193-T198 HydrophobicContact CB-CG2 4.46Å; L193-C374 HydrophobicContact CD1-CB 4.49Å; L193-C374 VanDerWaalsContact CD1-SG 3.51Å; L193-E375 HydrophobicContact CB-CB 3.82Å
194	D	92.5	Very high	96.4	Very high	120 Å²	120	52.8 Å²	52.8	64%	0.642	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	43.6	178.7	-172.4	46.4	0	0	0	113.2	K196 E375	D194-K196 PolarHBondContact O-N 3.47Å; D194-K196 VanDerWaalsContact O-N 3.1Å; D194-K196 IonicContact OD2-NZ 2.65Å; D194-K196 PolarHBondContact OD2-NZ 2.81Å; D194-E375 HydrophobicContact CB-CB 4.12Å; D194-E375 HydrophobicContact CB-CG 4.27Å
195	G	93	Very high	96.4	Very high	78 Å²	78	57.4 Å²	57.4	80%	0.804	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	-0.7	-178.5	0	0	0	0	0	115.9	L193	L193-G195 PolarHBondContact O-N 2.84Å
196	K	94.6	Very high	96.5	Very high	68 Å²	68	61.2 Å²	61.2	30%	0.296	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	145.9	-177.6	-62	152.4	-170.3	150.6	0	110.6	R192 L193 D194 T198 V378	R192-K196 CarbonylContact C-O 3.46Å; R192-K196 VanDerWaalsContact CA-O 3.26Å; R192-K196 WeakPolarHBondContact CA-O 3.24Å; L193-K196 PolarHBondContact N-O 3.38Å; L193-K196 PolarHBondContact O-N 3.29Å; D194-K196 PolarHBondContact O-N 3.47Å; D194-K196 VanDerWaalsContact O-N 3.1Å; D194-K196 IonicContact OD2-NZ 2.65Å; D194-K196 PolarHBondContact OD2-NZ 2.81Å; K196-T198 HydrophobicContact CB-CG2 4.42Å; K196-V378 HydrophobicContact CB-CG1 4.48Å
197	M	97.8	Very high	96.5	Very high	18 Å²	18	61.6 Å²	61.6	9%	0.089	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.6	167	-176.3	57.6	70	0	0	109.1	N178 G190 R192 F199	N178-M197 HydrophobicContact CB-CB 4.4Å; N178-M197 WeakPolarHBondContact O-CE 3.09Å; G190-M197 VanDerWaalsContact C-SD 3.51Å; R192-M197 HydrophobicContact CG-CE 3.88Å; M197-F199 HydrophobicContact CG-CE2 4Å; M197-F199 HydrophobicContact CG-CZ 3.96Å
198	T	98.1	Very high	96.5	Very high	1 Å²	1	63 Å²	63	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	152.1	178.8	68.1	0	0	0	0	111.6	G190 R191 L193 K196 E375 L377	G190-T198 CarbonylContact C-O 3.55Å; G190-T198 WeakPolarHBondContact CA-O 3.3Å; R191-T198 PolarHBondContact N-O 3.45Å; R191-T198 PolarHBondContact O-N 3.37Å; R191-T198 PolarHBondContact O-OG1 3.02Å; L193-T198 HydrophobicContact CB-CG2 4.46Å; K196-T198 HydrophobicContact CB-CG2 4.42Å; T198-E375 WeakPolarHBondContact CG2-O 3.37Å; T198-L377 CarbonylContact C-O 3.16Å; T198-L377 VanDerWaalsContact CA-O 3.22Å; T198-L377 WeakPolarHBondContact CA-O 3.26Å; T198-L377 WeakPolarHBondContact CB-O 3.23Å
199	F	98	Very high	96.5	Very high	1 Å²	1	64.4 Å²	64.4	0%	0.004	34%	0.343	C	S	.	.			trans	-117.2	113.6	-177.9	-62.4	-87.6	0	0	0	107.9	C183 V188 M197 L377 Y379 H382	C183-F199 HydrophobicContact CB-CE1 4.47Å; V188-F199 HydrophobicContact CG1-CB 4.49Å; V188-F199 HydrophobicContact CG1-CD1 3.72Å; V188-F199 HydrophobicContact CG1-CE1 4.49Å; M197-F199 HydrophobicContact CG-CE2 4Å; M197-F199 HydrophobicContact CG-CZ 3.96Å; F199-L377 PolarHBondContact N-O 3.45Å; F199-Y379 HydrophobicContact CE2-CD2 4.37Å; F199-H382 HydrophobicContact CB-CB 3.75Å; F199-H382 HydrophobicContact CD2-CB 4.42Å; F199-H382 HydrophobicContact CG-CB 4.35Å
200	P	96.4	Very high	96.5	Very high	29 Å²	29	66.1 Å²	66.1	19%	0.188	35%	0.352	C	S	.	.			trans	-60.2	149.5	-176.9	21.1	-28.9	0	0	0	111.5	V188 Y204	V188-P200 HydrophobicContact CG2-CG 4.13Å; P200-Y204 WeakPolarHBondContact CG-OH 3.49Å; P200-Y204 WeakPolarHBondContact O-CE2 3.39Å; P200-Y204 PolarHBondContact O-OH 2.97Å
201	N	94.6	Very high	96.5	Very high	38 Å²	38	66.9 Å²	66.9	20%	0.203	36%	0.357	C	S	.	.	S	Bend	trans	-67.1	140.7	169.7	-75	-29.7	0	0	0	109.8	Y204 L365 E369	N201-Y204 PolarHBondContact O-OH 2.95Å; N201-L365 PolarHBondContact ND2-O 2.9Å; N201-L365 WeakPolarHBondContact OD1-CB 3.22Å; N201-E369 PolarHBondContact ND2-OE2 3.15Å
202	G	92.7	Very high	96.6	Very high	35 Å²	35	61.4 Å²	61.4	36%	0.361	34%	0.336	S	S	.	.	S	Bend	trans	163	171.8	-180	0	0	0	0	0	111.9	Y204	G202-Y204 WeakPolarHBondContact O-CD2 3.3Å; G202-Y204 WeakPolarHBondContact O-CE2 3.38Å
203	E	93.6	Very high	96.6	Very high	153 Å²	153	55.4 Å²	55.4	72%	0.715	31%	0.313	S	S	*	.			trans	-93.3	124	170.4	-63.8	-171.5	165	0	0	108.6	R362	E203-R362 IonicContact OE1-NH1 2.77Å; E203-R362 PolarHBondContact OE1-NH1 3.13Å
204	Y	96.8	Very high	96.7	Very high	72 Å²	72	59 Å²	59	28%	0.282	33%	0.333	S	S	.	.			trans	-128.6	146.4	-177	-57	-76.7	0	0	0	109.1	V188 P200 N201 G202 L206	V188-Y204 HydrophobicContact CB-CD1 3.9Å; V188-Y204 HydrophobicContact CB-CD2 3.75Å; V188-Y204 HydrophobicContact CB-CE1 4.1Å; V188-Y204 HydrophobicContact CB-CE2 3.93Å; V188-Y204 HydrophobicContact CB-CG 3.73Å; V188-Y204 HydrophobicContact CG2-CD1 4.07Å; V188-Y204 HydrophobicContact CG2-CD2 3.97Å; V188-Y204 HydrophobicContact CG2-CE1 3.73Å; V188-Y204 HydrophobicContact CG2-CE2 3.59Å; V188-Y204 HydrophobicContact CG2-CG 4.2Å; V188-Y204 VanDerWaalsContact CG2-CZ 3.48Å; P200-Y204 WeakPolarHBondContact CG-OH 3.49Å; P200-Y204 WeakPolarHBondContact O-CE2 3.39Å; P200-Y204 PolarHBondContact O-OH 2.97Å; N201-Y204 PolarHBondContact O-OH 2.95Å; G202-Y204 WeakPolarHBondContact O-CD2 3.3Å; G202-Y204 WeakPolarHBondContact O-CE2 3.38Å; Y204-L206 PolarHBondContact O-N 2.65Å
205	T	98.1	Very high	97	Very high	103 Å²	103	55.4 Å²	55.4	63%	0.632	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-55.1	126.8	173.6	-48.8	0	0	0	0	110	C186 V187	C186-T205 VanDerWaalsContact CA-O 3.29Å; C186-T205 WeakPolarHBondContact CA-O 3.48Å; C186-T205 WeakPolarHBondContact CB-O 3.36Å; V187-T205 PolarHBondContact N-O 2.84Å
206	L	98.2	Very high	97.2	Very high	90 Å²	90	56.3 Å²	56.3	47%	0.471	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-72.8	145.6	174.8	-61.7	-178.5	0	0	0	109.9	R185 C186 Y204	R185-L206 CarbonylContact O-C 3.36Å; R185-L206 WeakPolarHBondContact O-CA 3.25Å; C186-L206 HydrophobicContact CB-CD2 4.01Å; Y204-L206 PolarHBondContact O-N 2.65Å
207	R	98	Very high	97.3	Very high	9 Å²	9	54.3 Å²	54.3	3%	0.034	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-74	134.9	168.8	-58.1	-176.6	-168.6	-75.4	-4.9	108.1	C183 R185 C186 V187 S211 H220 I235	C183-R207 PolarHBondContact O-NE 3.02Å; C183-R207 PolarHBondContact O-NH2 2.97Å; C183-R207 VanDerWaalsContact O-NH2 3.12Å; R185-R207 PolarHBondContact O-N 2.98Å; C186-R207 PolarHBondContact O-NE 3.37Å; C186-R207 PolarHBondContact O-NH2 3.18Å; C186-R207 VanDerWaalsContact O-NH2 3.15Å; V187-R207 HydrophobicContact CG1-CG 4.43Å; R207-S211 WeakPolarHBondContact CA-OG 3.3Å; R207-H220 VanDerWaalsContact CZ-CG 3.43Å; R207-H220 PolarHBondContact NH2-ND1 3.29Å; R207-I235 HydrophobicContact CB-CD1 3.71Å; R207-I235 HydrophobicContact CB-CG1 4.22Å
208	T	98.3	Very high	97.3	Very high	74 Å²	74	62.3 Å²	62.3	45%	0.454	32%	0.324	S	S	.	.			trans	-105.8	165.3	167.4	64.7	0	0	0	0	110.1	D210 S211 F212	T208-D210 VanDerWaalsContact C-N 3.29Å; T208-D210 PolarHBondContact O-N 2.86Å; T208-S211 PolarHBondContact N-OG 3.02Å; T208-S211 PolarHBondContact O-N 3.4Å; T208-S211 VanDerWaalsContact O-N 3.16Å; T208-S211 PolarHBondContact O-OG 3.42Å; T208-S211 WeakPolarHBondContact OG1-CB 3.36Å; T208-S211 PolarHBondContact OG1-N 3.47Å; T208-S211 VanDerWaalsContact OG1-N 3.09Å; T208-S211 PolarHBondContact OG1-OG 2.97Å; T208-F212 WeakPolarHBondContact O-CB 3.49Å; T208-F212 PolarHBondContact O-N 3.07Å
209	D	98.4	Very high	97.3	Very high	32 Å²	32	65 Å²	65	17%	0.171	34%	0.338	C	S	.	.	H	α-helix	trans	-51.1	-49.1	171.6	-173.4	55.7	0	0	0	111.7	S211 F212 R213 M234	D209-S211 PolarHBondContact O-N 3.4Å; D209-F212 WeakPolarHBondContact O-CB 3.45Å; D209-F212 PolarHBondContact O-N 3.37Å; D209-F212 VanDerWaalsContact O-N 3.15Å; D209-R213 WeakPolarHBondContact O-CG 3.21Å; D209-R213 PolarHBondContact O-N 2.96Å; D209-R213 IonicContact OD1-CZ 3.66Å; D209-R213 IonicContact OD1-NE 3.19Å; D209-R213 PolarHBondContact OD1-NE 3.43Å; D209-R213 IonicContact OD1-NH2 2.77Å; D209-R213 WeakPolarHBondContact OD2-CD 3.45Å; D209-R213 IonicContact OD2-CZ 3.09Å; D209-R213 IonicContact OD2-NE 3.41Å; D209-R213 PolarHBondContact OD2-NE 2.89Å; D209-M234 WeakPolarHBondContact OD1-CB 3.4Å; D209-M234 WeakPolarHBondContact OD1-CG 3.2Å; D209-M234 PolarHBondContact OD1-N 2.97Å
210	D	98.5	Very high	97.3	Very high	111 Å²	111	64.9 Å²	64.9	59%	0.594	34%	0.338	S	S	*	.	H	α-helix	trans	-58.5	-46	176.5	-67.6	-34.5	0	0	0	112.4	T208 F212 R213 N214	T208-D210 VanDerWaalsContact C-N 3.29Å; T208-D210 PolarHBondContact O-N 2.86Å; D210-F212 PolarHBondContact O-N 2.89Å; D210-R213 PolarHBondContact O-N 3.49Å; D210-N214 VanDerWaalsContact O-CB 3.29Å; D210-N214 WeakPolarHBondContact O-CB 3.34Å; D210-N214 PolarHBondContact O-N 3.41Å; D210-N214 PolarHBondContact O-ND2 3.25Å
211	S	98.5	Very high	97.4	Very high	22 Å²	22	64.3 Å²	64.3	15%	0.154	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-31.6	-179.1	76.5	0	0	0	0	112	R207 T208 D209 Q215 T216	R207-S211 WeakPolarHBondContact CA-OG 3.3Å; T208-S211 PolarHBondContact N-OG 3.02Å; T208-S211 PolarHBondContact O-N 3.4Å; T208-S211 VanDerWaalsContact O-N 3.16Å; T208-S211 PolarHBondContact O-OG 3.42Å; T208-S211 WeakPolarHBondContact OG1-CB 3.36Å; T208-S211 PolarHBondContact OG1-N 3.47Å; T208-S211 VanDerWaalsContact OG1-N 3.09Å; T208-S211 PolarHBondContact OG1-OG 2.97Å; D209-S211 PolarHBondContact O-N 3.4Å; S211-Q215 PolarHBondContact O-N 2.98Å; S211-T216 PolarHBondContact O-N 3Å; S211-T216 PolarHBondContact O-OG1 3.3Å
212	F	98.6	Very high	97.5	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-74.6	-49.8	179.6	-174.3	-83.3	0	0	0	111.2	R172 T174 T208 D209 D210 N214 Q215 H220 H221 E228 M234 I235	R172-F212 HydrophobicContact CB-CZ 4.16Å; R172-F212 VanDerWaalsContact NH2-CD2 3.31Å; T174-F212 HydrophobicContact CG2-CE2 3.59Å; T174-F212 HydrophobicContact CG2-CZ 3.76Å; T208-F212 WeakPolarHBondContact O-CB 3.49Å; T208-F212 PolarHBondContact O-N 3.07Å; D209-F212 WeakPolarHBondContact O-CB 3.45Å; D209-F212 PolarHBondContact O-N 3.37Å; D209-F212 VanDerWaalsContact O-N 3.15Å; D210-F212 PolarHBondContact O-N 2.89Å; F212-N214 VanDerWaalsContact C-N 3.32Å; F212-N214 PolarHBondContact O-N 3.48Å; F212-Q215 WeakPolarHBondContact O-CA 3.38Å; F212-Q215 PolarHBondContact O-N 3.25Å; F212-H220 AromaticContact CE2-NE2 3.92Å; F212-H221 AromaticContact CD2-CE1 3.53Å; F212-H221 AromaticContact CE2-CE1 3.57Å; F212-H221 AromaticContact CG-CE1 3.8Å; F212-H221 AromaticContact CZ-CE1 3.87Å; F212-H221 PolarHBondContact O-CE1 3.08Å; F212-E228 HydrophobicContact CE1-CG 4.46Å; F212-M234 HydrophobicContact CB-CB 4.43Å; F212-M234 HydrophobicContact CD1-CB 3.57Å; F212-M234 HydrophobicContact CD1-CE 4.34Å; F212-M234 HydrophobicContact CD1-CG 4.04Å; F212-M234 HydrophobicContact CE1-CB 4.07Å; F212-M234 HydrophobicContact CE1-CE 3.71Å; F212-M234 HydrophobicContact CE1-CG 4.37Å; F212-M234 HydrophobicContact CG-CB 4.03Å; F212-M234 HydrophobicContact CZ-CE 4.35Å; F212-I235 HydrophobicContact CB-CD1 3.91Å; F212-I235 HydrophobicContact CD2-CD1 3.86Å; F212-I235 HydrophobicContact CG-CD1 4.12Å
213	R	98	Very high	97.7	Very high	64 Å²	64	67.8 Å²	67.8	24%	0.242	34%	0.342	C	S	.	.	H	α-helix	trans	-64.4	-37.9	-179.4	-69.2	171.1	177.7	-82.4	2.8	112.2	D209 D210 Q215 E228 L230 I232 M234	D209-R213 WeakPolarHBondContact O-CG 3.21Å; D209-R213 PolarHBondContact O-N 2.96Å; D209-R213 IonicContact OD1-CZ 3.66Å; D209-R213 IonicContact OD1-NE 3.19Å; D209-R213 PolarHBondContact OD1-NE 3.43Å; D209-R213 IonicContact OD1-NH2 2.77Å; D209-R213 WeakPolarHBondContact OD2-CD 3.45Å; D209-R213 IonicContact OD2-CZ 3.09Å; D209-R213 IonicContact OD2-NE 3.41Å; D209-R213 PolarHBondContact OD2-NE 2.89Å; D210-R213 PolarHBondContact O-N 3.49Å; R213-Q215 PolarHBondContact O-N 2.93Å; R213-E228 PolarHBondContact NH1-O 3.31Å; R213-L230 PolarHBondContact NH2-O 3.18Å; R213-I232 PolarHBondContact NH2-O 2.93Å; R213-M234 HydrophobicContact CG-CG 4.39Å
214	N	98.1	Very high	97.8	Very high	120 Å²	120	65.5 Å²	65.5	64%	0.642	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.4	173.8	-66	-51.2	0	0	0	113.4	D210 F212 T216	D210-N214 VanDerWaalsContact O-CB 3.29Å; D210-N214 WeakPolarHBondContact O-CB 3.34Å; D210-N214 PolarHBondContact O-N 3.41Å; D210-N214 PolarHBondContact O-ND2 3.25Å; F212-N214 VanDerWaalsContact C-N 3.32Å; F212-N214 PolarHBondContact O-N 3.48Å; N214-T216 HydrophobicContact CB-CG2 4.04Å; N214-T216 PolarHBondContact O-N 3.24Å
215	Q	98	Very high	97.8	Very high	46 Å²	46	62.3 Å²	62.3	22%	0.215	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	42	-179.6	-55.4	-169.1	-11	0	0	114	S211 F212 R213 Q217 Y218 H221 G223 H224	S211-Q215 PolarHBondContact O-N 2.98Å; F212-Q215 WeakPolarHBondContact O-CA 3.38Å; F212-Q215 PolarHBondContact O-N 3.25Å; R213-Q215 PolarHBondContact O-N 2.93Å; Q215-Q217 CarbonylContact O-C 3.6Å; Q215-Q217 PolarHBondContact O-N 2.76Å; Q215-Y218 PolarHBondContact O-N 3.46Å; Q215-H221 HydrophobicContact CB-CB 4.31Å; Q215-H221 HydrophobicContact CG-CB 4.07Å; Q215-G223 PolarHBondContact NE2-O 2.59Å; Q215-H224 PolarHBondContact NE2-CE1 3.42Å; Q215-H224 PolarHBondContact NE2-ND1 3.18Å; Q215-H224 PolarHBondContact NE2-NE2 2.88Å
216	T	97.8	Very high	97.8	Very high	97 Å²	97	60.2 Å²	60.2	60%	0.595	30%	0.304	S	S	*	.	S	Bend	trans	-58.3	-30.3	-169.6	59.4	0	0	0	0	113.4	S211 N214	S211-T216 PolarHBondContact O-N 3Å; S211-T216 PolarHBondContact O-OG1 3.3Å; N214-T216 HydrophobicContact CB-CG2 4.04Å; N214-T216 PolarHBondContact O-N 3.24Å
217	Q	97.8	Very high	97.7	Very high	26 Å²	26	56.2 Å²	56.2	12%	0.121	28%	0.283	C	S	.	.	S	Bend	trans	-101.6	82.8	167.3	-169.6	-176.4	38	0	0	110.2	V187 Q215 I219 H220 H221	V187-Q217 PolarHBondContact O-NE2 3.08Å; Q215-Q217 CarbonylContact O-C 3.6Å; Q215-Q217 PolarHBondContact O-N 2.76Å; Q217-I219 HydrophobicContact CG-CG1 3.84Å; Q217-I219 PolarHBondContact O-N 3.03Å; Q217-H220 HydrophobicContact CB-CB 4.47Å; Q217-H220 VanDerWaalsContact O-CB 3.28Å; Q217-H220 WeakPolarHBondContact O-CB 3.29Å; Q217-H220 PolarHBondContact O-N 3.11Å; Q217-H221 PolarHBondContact O-CD2 3.05Å
218	Y	97.5	Very high	97.7	Very high	186 Å²	186	57 Å²	57	73%	0.729	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-48.7	-38.9	-173.3	77.8	-86.5	0	0	0	114.5	Q215 H220 H221	Q215-Y218 PolarHBondContact O-N 3.46Å; Y218-H220 PolarHBondContact O-N 3.03Å; Y218-H220 VanDerWaalsContact O-N 3.12Å; Y218-H221 PolarHBondContact O-N 3.3Å; Y218-H221 VanDerWaalsContact O-N 3.09Å
219	I	97.9	Very high	97.6	Very high	56 Å²	56	56.1 Å²	56.1	29%	0.287	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-66.5	-10.7	179.2	58.5	168.4	0	0	0	114.7	V175 A181 Q217	V175-I219 WeakPolarHBondContact CG1-O 3.12Å; A181-I219 HydrophobicContact CB-CD1 3.89Å; A181-I219 HydrophobicContact CB-CG1 3.76Å; Q217-I219 HydrophobicContact CG-CG1 3.84Å; Q217-I219 PolarHBondContact O-N 3.03Å
220	H	98.3	Very high	97.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-82.1	-27.5	173.5	-179.5	63.3	0	0	0	112.1	T174 V175 A181 C183 R207 F212 Q217 Y218	T174-H220 CarbonylContact C-O 3.48Å; T174-H220 VanDerWaalsContact CA-O 3.22Å; T174-H220 WeakPolarHBondContact CA-O 3.35Å; T174-H220 WeakPolarHBondContact CB-O 3.45Å; T174-H220 WeakPolarHBondContact CG2-NE2 3.31Å; V175-H220 PolarHBondContact N-O 3.34Å; A181-H220 HydrophobicContact CB-CB 3.98Å; A181-H220 PolarHBondContact O-ND1 3.38Å; C183-H220 PolarHBondContact O-CE1 3.33Å; R207-H220 VanDerWaalsContact CZ-CG 3.43Å; R207-H220 PolarHBondContact NH2-ND1 3.29Å; F212-H220 AromaticContact CE2-NE2 3.92Å; Q217-H220 HydrophobicContact CB-CB 4.47Å; Q217-H220 VanDerWaalsContact O-CB 3.28Å; Q217-H220 WeakPolarHBondContact O-CB 3.29Å; Q217-H220 PolarHBondContact O-N 3.11Å; Y218-H220 PolarHBondContact O-N 3.03Å; Y218-H220 VanDerWaalsContact O-N 3.12Å
221	H	98.4	Very high	97.4	Very high	17 Å²	17	55.8 Å²	55.8	8%	0.079	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-102.8	150.5	-169.8	-60.6	-92.5	0	0	0	111.7	F212 Q215 Q217 Y218	F212-H221 AromaticContact CD2-CE1 3.53Å; F212-H221 AromaticContact CE2-CE1 3.57Å; F212-H221 AromaticContact CG-CE1 3.8Å; F212-H221 AromaticContact CZ-CE1 3.87Å; F212-H221 PolarHBondContact O-CE1 3.08Å; Q215-H221 HydrophobicContact CB-CB 4.31Å; Q215-H221 HydrophobicContact CG-CB 4.07Å; Q217-H221 PolarHBondContact O-CD2 3.05Å; Y218-H221 PolarHBondContact O-N 3.3Å; Y218-H221 VanDerWaalsContact O-N 3.09Å
222	K	96.2	Very high	97.4	Very high	124 Å²	124	55.7 Å²	55.7	54%	0.539	29%	0.29	S	S	.	.	S	Bend	trans	-121.9	-2.7	175.2	-65.4	179.1	-179.6	147	0	112.8	Y173 T174	Y173-K222 WeakPolarHBondContact O-CB 3.34Å; Y173-K222 PolarHBondContact O-N 3.06Å; T174-K222 WeakPolarHBondContact O-CD 3.33Å; T174-K222 WeakPolarHBondContact O-CE 3.22Å; T174-K222 PolarHBondContact O-NZ 3.15Å
223	G	96.2	Very high	97.4	Very high	22 Å²	22	58.3 Å²	58.3	23%	0.227	30%	0.303	C	S	.	.	S	Bend	trans	155.7	-167.5	-174.6	0	0	0	0	0	110.5	Q215	Q215-G223 PolarHBondContact NE2-O 2.59Å
224	H	96.6	Very high	97.4	Very high	104 Å²	104	55.2 Å²	55.2	48%	0.481	29%	0.292	S	S	.	.			trans	-108	134.1	178.5	-69.2	-82.8	0	0	0	111.6	N127 Q215 E228	N127-H224 PolarHBondContact ND2-O 3.34Å; Q215-H224 PolarHBondContact NE2-CE1 3.42Å; Q215-H224 PolarHBondContact NE2-ND1 3.18Å; Q215-H224 PolarHBondContact NE2-NE2 2.88Å; H224-E228 VanDerWaalsContact CA-OE1 3.26Å; H224-E228 WeakPolarHBondContact CA-OE1 3.48Å; H224-E228 IonicContact CE1-OE2 3.75Å; H224-E228 IonicContact CG-OE1 3.97Å; H224-E228 IonicContact CG-OE2 3.87Å; H224-E228 IonicContact ND1-OE1 3.54Å; H224-E228 IonicContact ND1-OE2 2.85Å; H224-E228 PolarHBondContact ND1-OE2 3.44Å
225	S	96.9	Very high	97.4	Very high	5 Å²	5	50 Å²	50	4%	0.035	26%	0.264	C	S	.	.			trans	-81.7	140.6	172.8	-176.1	0	0	0	0	110.2	V171 F227 E228	V171-S225 VanDerWaalsContact O-CB 3.3Å; V171-S225 WeakPolarHBondContact O-CB 3.41Å; V171-S225 PolarHBondContact O-OG 3.12Å; S225-F227 PolarHBondContact O-N 2.97Å; S225-F227 VanDerWaalsContact O-N 3.13Å; S225-F227 PolarHBondContact OG-N 3.44Å; S225-E228 PolarHBondContact N-OE1 3.19Å; S225-E228 VanDerWaalsContact O-CB 3.28Å; S225-E228 WeakPolarHBondContact O-CB 3.38Å; S225-E228 PolarHBondContact O-N 3.1Å
226	L	96.7	Very high	97.4	Very high	60 Å²	60	51.1 Å²	51.1	31%	0.314	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-59.6	-22	170	-78.8	-179.8	0	0	0	112.8	N127 A131 I134 E228 S229	N127-L226 HydrophobicContact CB-CD1 3.73Å; N127-L226 HydrophobicContact CB-CG 3.78Å; N127-L226 VanDerWaalsContact O-CD1 3.24Å; N127-L226 WeakPolarHBondContact O-CD1 3.39Å; N127-L226 PolarHBondContact OD1-N 3.22Å; A131-L226 HydrophobicContact CB-CD1 3.97Å; I134-L226 HydrophobicContact CG1-CB 4.37Å; I134-L226 HydrophobicContact CG2-CB 4.49Å; L226-E228 PolarHBondContact O-N 2.88Å; L226-S229 WeakPolarHBondContact O-CB 3.14Å; L226-S229 PolarHBondContact O-N 2.71Å; L226-S229 PolarHBondContact O-OG 3.42Å
227	F	97.8	Very high	97.4	Very high	5 Å²	5	47 Å²	47	2%	0.022	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-61.3	-24.5	172.3	-79.1	-88.7	0	0	0	112.9	I134 L158 V161 V171 S225 S229 L230 I232 M234 F238	I134-F227 HydrophobicContact CD1-CD1 3.44Å; I134-F227 VanDerWaalsContact CD1-CD1 3.44Å; I134-F227 HydrophobicContact CD1-CD2 3.91Å; I134-F227 HydrophobicContact CD1-CE1 3.4Å; I134-F227 HydrophobicContact CD1-CE2 3.86Å; I134-F227 HydrophobicContact CD1-CG 3.71Å; I134-F227 HydrophobicContact CD1-CZ 3.62Å; L158-F227 HydrophobicContact CD2-CD1 4.4Å; L158-F227 HydrophobicContact CD2-CE1 4.19Å; V161-F227 HydrophobicContact CG1-CE1 4.42Å; V161-F227 HydrophobicContact CG1-CZ 4.2Å; V161-F227 HydrophobicContact CG2-CD1 4.15Å; V161-F227 HydrophobicContact CG2-CE1 3.55Å; V161-F227 HydrophobicContact CG2-CZ 4.15Å; V171-F227 HydrophobicContact CG1-CD2 3.67Å; V171-F227 HydrophobicContact CG1-CE2 3.42Å; V171-F227 VanDerWaalsContact CG1-CE2 3.42Å; V171-F227 HydrophobicContact CG1-CZ 4.32Å; S225-F227 PolarHBondContact O-N 2.97Å; S225-F227 VanDerWaalsContact O-N 3.13Å; S225-F227 PolarHBondContact OG-N 3.44Å; F227-S229 PolarHBondContact O-N 3.05Å; F227-L230 HydrophobicContact CD1-CD1 4.11Å; F227-L230 WeakPolarHBondContact O-CB 3.38Å; F227-L230 PolarHBondContact O-N 3.42Å; F227-L230 VanDerWaalsContact O-N 3.08Å; F227-I232 HydrophobicContact CB-CD1 4.34Å; F227-I232 HydrophobicContact CD1-CD1 4.07Å; F227-M234 HydrophobicContact CB-CE 4.1Å; F227-M234 HydrophobicContact CB-SD 4.05Å; F227-F238 HydrophobicContact CB-CE2 4.45Å; F227-F238 HydrophobicContact CB-CZ 4.01Å; F227-F238 AromaticContact CD1-CZ 3.94Å; F227-F238 HydrophobicContact CD1-CZ 3.94Å; F227-F238 HydrophobicContact CD2-CZ 4.19Å; F227-F238 HydrophobicContact CE1-CZ 4.45Å; F227-F238 AromaticContact CG-CZ 3.79Å; F227-F238 HydrophobicContact CG-CZ 3.79Å
228	E	97.7	Very high	97.4	Very high	25 Å²	25	45.8 Å²	45.8	12%	0.117	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-66.1	-16	173	-63.5	172.5	-123.4	0	0	112	F212 R213 H224 S225 L226 L230 M234	F212-E228 HydrophobicContact CE1-CG 4.46Å; R213-E228 PolarHBondContact NH1-O 3.31Å; H224-E228 VanDerWaalsContact CA-OE1 3.26Å; H224-E228 WeakPolarHBondContact CA-OE1 3.48Å; H224-E228 IonicContact CE1-OE2 3.75Å; H224-E228 IonicContact CG-OE1 3.97Å; H224-E228 IonicContact CG-OE2 3.87Å; H224-E228 IonicContact ND1-OE1 3.54Å; H224-E228 IonicContact ND1-OE2 2.85Å; H224-E228 PolarHBondContact ND1-OE2 3.44Å; S225-E228 PolarHBondContact N-OE1 3.19Å; S225-E228 VanDerWaalsContact O-CB 3.28Å; S225-E228 WeakPolarHBondContact O-CB 3.38Å; S225-E228 PolarHBondContact O-N 3.1Å; L226-E228 PolarHBondContact O-N 2.88Å; E228-L230 PolarHBondContact O-N 3.04Å; E228-M234 HydrophobicContact CG-CE 3.72Å; E228-M234 HydrophobicContact CG-CG 4.12Å; E228-M234 HydrophobicContact CG-SD 3.96Å
229	S	96.7	Very high	97.5	Very high	56 Å²	56	37 Å²	37	39%	0.392	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-76.2	-10	173.3	72.8	0	0	0	0	113.9	L226 F227	L226-S229 WeakPolarHBondContact O-CB 3.14Å; L226-S229 PolarHBondContact O-N 2.71Å; L226-S229 PolarHBondContact O-OG 3.42Å; F227-S229 PolarHBondContact O-N 3.05Å
230	L	97.3	Very high	97.5	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.037	19%	0.192	C	C	.	.	S	Bend	trans	-93.4	149	177	-57.7	178.3	0	0	0	110.7	I134 I137 K138 L158 R213 F227 E228 I232	I134-L230 HydrophobicContact CD1-CD1 3.76Å; I134-L230 HydrophobicContact CG2-CD1 4.36Å; I134-L230 HydrophobicContact CG2-CD2 4.01Å; I134-L230 HydrophobicContact CG2-CG 4.08Å; I137-L230 HydrophobicContact CB-CD1 4.38Å; I137-L230 HydrophobicContact CB-CD2 4.38Å; I137-L230 HydrophobicContact CD1-CD1 4.47Å; I137-L230 HydrophobicContact CG2-CD1 3.84Å; I137-L230 HydrophobicContact CG2-CD2 4.04Å; K138-L230 HydrophobicContact CB-CD2 3.74Å; K138-L230 HydrophobicContact CG-CD2 4.38Å; L158-L230 HydrophobicContact CD2-CD1 4.01Å; R213-L230 PolarHBondContact NH2-O 3.18Å; F227-L230 HydrophobicContact CD1-CD1 4.11Å; F227-L230 WeakPolarHBondContact O-CB 3.38Å; F227-L230 PolarHBondContact O-N 3.42Å; F227-L230 VanDerWaalsContact O-N 3.08Å; E228-L230 PolarHBondContact O-N 3.04Å; L230-I232 HydrophobicContact CB-CD1 4.24Å; L230-I232 HydrophobicContact CB-CG1 4.05Å; L230-I232 HydrophobicContact CB-CG2 4.12Å; L230-I232 HydrophobicContact CD1-CD1 4.32Å; L230-I232 PolarHBondContact O-N 3.07Å
231	S	95.5	Very high	97.5	Very high	129 Å²	129	34.4 Å²	34.4	90%	0.902	19%	0.192	S	C	*	.	S	Bend	trans	-77.3	59.3	173.2	-56.7	0	0	0	0	111.6
232	I	97.3	Very high	97.5	Very high	21 Å²	21	33.6 Å²	33.6	11%	0.108	19%	0.189	C	C	.	.	S	Bend	trans	-122.3	156.4	178.8	65.3	176.7	0	0	0	110.6	L158 R213 F227 L230 M234 T237 F238	L158-I232 HydrophobicContact CD2-CD1 4.18Å; L158-I232 HydrophobicContact CD2-CG2 4.41Å; R213-I232 PolarHBondContact NH2-O 2.93Å; F227-I232 HydrophobicContact CB-CD1 4.34Å; F227-I232 HydrophobicContact CD1-CD1 4.07Å; L230-I232 HydrophobicContact CB-CD1 4.24Å; L230-I232 HydrophobicContact CB-CG1 4.05Å; L230-I232 HydrophobicContact CB-CG2 4.12Å; L230-I232 HydrophobicContact CD1-CD1 4.32Å; L230-I232 PolarHBondContact O-N 3.07Å; I232-M234 HydrophobicContact CD1-SD 4.25Å; I232-M234 HydrophobicContact CG1-SD 4.24Å; I232-M234 PolarHBondContact O-N 3.23Å; I232-T237 HydrophobicContact CB-CG2 4.3Å; I232-T237 HydrophobicContact CD1-CG2 4.01Å; I232-F238 HydrophobicContact CD1-CE2 4.33Å
233	D	98.1	Very high	97.6	Very high	54 Å²	54	27.7 Å²	27.7	29%	0.289	16%	0.163	S	C	.	.			trans	-78.3	114.5	170.6	-175.7	-54.9	0	0	0	109.5	I235 L236 T237	D233-I235 PolarHBondContact O-N 3.24Å; D233-I235 VanDerWaalsContact O-N 3.13Å; D233-I235 VanDerWaalsContact OD1-CA 3.28Å; D233-I235 WeakPolarHBondContact OD1-CA 3.48Å; D233-I235 VanDerWaalsContact OD1-CB 3.28Å; D233-I235 WeakPolarHBondContact OD1-CB 3.48Å; D233-I235 PolarHBondContact OD1-N 3Å; D233-L236 HydrophobicContact CB-CB 4.15Å; D233-L236 PolarHBondContact OD1-N 3.44Å; D233-T237 PolarHBondContact N-OG1 2.92Å; D233-T237 WeakPolarHBondContact O-CB 3.37Å; D233-T237 PolarHBondContact O-N 3.41Å; D233-T237 PolarHBondContact O-OG1 2.74Å
234	M	98.3	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-7.6	-176.7	-71.6	-60.8	-62.1	0	0	114	R172 D209 F212 R213 F227 E228 I232 F238	R172-M234 VanDerWaalsContact CZ-O 3.25Å; R172-M234 PolarHBondContact NE-O 3.33Å; R172-M234 PolarHBondContact NH2-O 2.88Å; D209-M234 WeakPolarHBondContact OD1-CB 3.4Å; D209-M234 WeakPolarHBondContact OD1-CG 3.2Å; D209-M234 PolarHBondContact OD1-N 2.97Å; F212-M234 HydrophobicContact CB-CB 4.43Å; F212-M234 HydrophobicContact CD1-CB 3.57Å; F212-M234 HydrophobicContact CD1-CE 4.34Å; F212-M234 HydrophobicContact CD1-CG 4.04Å; F212-M234 HydrophobicContact CE1-CB 4.07Å; F212-M234 HydrophobicContact CE1-CE 3.71Å; F212-M234 HydrophobicContact CE1-CG 4.37Å; F212-M234 HydrophobicContact CG-CB 4.03Å; F212-M234 HydrophobicContact CZ-CE 4.35Å; R213-M234 HydrophobicContact CG-CG 4.39Å; F227-M234 HydrophobicContact CB-CE 4.1Å; F227-M234 HydrophobicContact CB-SD 4.05Å; E228-M234 HydrophobicContact CG-CE 3.72Å; E228-M234 HydrophobicContact CG-CG 4.12Å; E228-M234 HydrophobicContact CG-SD 3.96Å; I232-M234 HydrophobicContact CD1-SD 4.25Å; I232-M234 HydrophobicContact CG1-SD 4.24Å; I232-M234 PolarHBondContact O-N 3.23Å; M234-F238 HydrophobicContact CE-CE2 3.91Å; M234-F238 HydrophobicContact CE-CZ 4.38Å; M234-F238 HydrophobicContact SD-CE2 4.03Å
235	I	98.3	Very high	97.7	Very high	9 Å²	9	24.1 Å²	24.1	5%	0.046	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-62.6	172.9	-50.8	-53.6	0	0	0	109.6	R172 R185 R207 F212 D233 T237 F238	R172-I235 VanDerWaalsContact NH2-CD1 3.27Å; R185-I235 VanDerWaalsContact NH1-CG2 3.33Å; R185-I235 PolarHBondContact NH1-O 3.38Å; R207-I235 HydrophobicContact CB-CD1 3.71Å; R207-I235 HydrophobicContact CB-CG1 4.22Å; F212-I235 HydrophobicContact CB-CD1 3.91Å; F212-I235 HydrophobicContact CD2-CD1 3.86Å; F212-I235 HydrophobicContact CG-CD1 4.12Å; D233-I235 PolarHBondContact O-N 3.24Å; D233-I235 VanDerWaalsContact O-N 3.13Å; D233-I235 VanDerWaalsContact OD1-CA 3.28Å; D233-I235 WeakPolarHBondContact OD1-CA 3.48Å; D233-I235 VanDerWaalsContact OD1-CB 3.28Å; D233-I235 WeakPolarHBondContact OD1-CB 3.48Å; D233-I235 PolarHBondContact OD1-N 3Å; I235-T237 PolarHBondContact O-N 3.17Å; I235-F238 PolarHBondContact O-N 2.93Å
236	L	97.4	Very high	97.8	Very high	71 Å²	71	23.9 Å²	23.9	37%	0.372	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.7	-171.7	-67.7	176.9	0	0	0	112.9	D233 F238 H394	D233-L236 HydrophobicContact CB-CB 4.15Å; D233-L236 PolarHBondContact OD1-N 3.44Å; L236-F238 PolarHBondContact O-N 2.8Å; L236-H394 PolarHBondContact O-CE1 3.33Å; L236-H394 PolarHBondContact O-NE2 3.39Å
237	T	98.5	Very high	97.9	Very high	11 Å²	11	21 Å²	21	7%	0.067	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.5	178.8	-46.4	0	0	0	0	112	L158 A160 V161 I232 D233 I235 P239	L158-T237 HydrophobicContact CD2-CG2 4.45Å; L158-T237 HydrophobicContact CG-CG2 4.29Å; A160-T237 CarbonylContact C-O 3.55Å; A160-T237 VanDerWaalsContact CA-O 3.26Å; A160-T237 WeakPolarHBondContact CA-O 3.33Å; V161-T237 HydrophobicContact CG2-CG2 4.36Å; V161-T237 PolarHBondContact N-O 3.03Å; I232-T237 HydrophobicContact CB-CG2 4.3Å; I232-T237 HydrophobicContact CD1-CG2 4.01Å; D233-T237 PolarHBondContact N-OG1 2.92Å; D233-T237 WeakPolarHBondContact O-CB 3.37Å; D233-T237 PolarHBondContact O-N 3.41Å; D233-T237 PolarHBondContact O-OG1 2.74Å; I235-T237 PolarHBondContact O-N 3.17Å; T237-P239 VanDerWaalsContact C-CD 3.43Å; T237-P239 WeakPolarHBondContact O-CD 3.31Å
238	F	98.5	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-112.6	74.5	178.3	-70.1	-94.9	0	0	0	110.6	V161 R168 V171 R172 R185 F227 I232 M234 I235 L236	V161-F238 HydrophobicContact CB-CD1 3.71Å; V161-F238 HydrophobicContact CB-CE1 3.56Å; V161-F238 HydrophobicContact CB-CG 4.38Å; V161-F238 HydrophobicContact CB-CZ 4.09Å; V161-F238 HydrophobicContact CG1-CD1 3.99Å; V161-F238 HydrophobicContact CG1-CE1 3.56Å; V161-F238 HydrophobicContact CG1-CZ 4.34Å; V161-F238 HydrophobicContact CG2-CE1 4.03Å; V161-F238 HydrophobicContact CG2-CZ 4.06Å; R168-F238 HydrophobicContact CG-CD1 4.41Å; V171-F238 HydrophobicContact CG1-CE1 3.82Å; V171-F238 HydrophobicContact CG1-CZ 4.36Å; R172-F238 HydrophobicContact CG-CD1 3.85Å; R172-F238 HydrophobicContact CG-CD2 4.41Å; R172-F238 HydrophobicContact CG-CE1 3.8Å; R172-F238 HydrophobicContact CG-CE2 4.38Å; R172-F238 HydrophobicContact CG-CG 4.16Å; R172-F238 HydrophobicContact CG-CZ 4.08Å; R185-F238 PolarHBondContact NH1-O 3.12Å; R185-F238 PolarHBondContact NH2-O 3.34Å; F227-F238 HydrophobicContact CB-CE2 4.45Å; F227-F238 HydrophobicContact CB-CZ 4.01Å; F227-F238 AromaticContact CD1-CZ 3.94Å; F227-F238 HydrophobicContact CD1-CZ 3.94Å; F227-F238 HydrophobicContact CD2-CZ 4.19Å; F227-F238 HydrophobicContact CE1-CZ 4.45Å; F227-F238 AromaticContact CG-CZ 3.79Å; F227-F238 HydrophobicContact CG-CZ 3.79Å; I232-F238 HydrophobicContact CD1-CE2 4.33Å; M234-F238 HydrophobicContact CE-CE2 3.91Å; M234-F238 HydrophobicContact CE-CZ 4.38Å; M234-F238 HydrophobicContact SD-CE2 4.03Å; I235-F238 PolarHBondContact O-N 2.93Å; L236-F238 PolarHBondContact O-N 2.8Å
239	P	98.5	Very high	97.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.136	C	C	.	.			trans	-65.6	154.7	-176	28.1	-35.6	0	0	0	113	A160 I162 R168 R185 T237 D241 D390 F400	A160-P239 HydrophobicContact CB-CG 3.98Å; I162-P239 HydrophobicContact CD1-CG 3.5Å; R168-P239 PolarHBondContact NE-O 2.6Å; R168-P239 PolarHBondContact NH2-O 3.09Å; R185-P239 VanDerWaalsContact NH2-CA 3.33Å; T237-P239 VanDerWaalsContact C-CD 3.43Å; T237-P239 WeakPolarHBondContact O-CD 3.31Å; P239-D241 PolarHBondContact O-N 2.86Å; P239-D390 HydrophobicContact CB-CB 4.12Å; P239-F400 HydrophobicContact CB-CD2 3.7Å; P239-F400 HydrophobicContact CB-CE2 4.22Å; P239-F400 HydrophobicContact CB-CG 4.31Å; P239-F400 HydrophobicContact CG-CB 4.19Å; P239-F400 HydrophobicContact CG-CD2 4.18Å
240	L	98.2	Very high	98	Very high	1 Å²	1	20 Å²	20	1%	0.005	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-72.8	99.9	170.4	-66.6	171.5	0	0	0	109.7	R185 P242 M245 H386 L387 D390 F400	R185-L240 HydrophobicContact CG-CD1 4.3Å; L240-P242 WeakPolarHBondContact O-CD 3.32Å; L240-P242 VanDerWaalsContact O-N 3.13Å; L240-M245 HydrophobicContact CB-SD 4.09Å; L240-M245 HydrophobicContact CD1-SD 4.17Å; L240-H386 HydrophobicContact CD1-CB 4.07Å; L240-L387 HydrophobicContact CB-CD1 4.34Å; L240-D390 WeakPolarHBondContact CB-OD2 3.37Å; L240-D390 WeakPolarHBondContact CG-OD2 3.34Å; L240-D390 PolarHBondContact N-OD2 3.47Å; L240-F400 WeakPolarHBondContact O-CE2 3.5Å
241	D	97.8	Very high	98.1	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.011	12%	0.116	C	C	.	.			trans	-56.2	116.6	179.9	164.9	44.1	0	0	0	112.3	I162 P239 M243 H244 M245 S401 A402	I162-D241 HydrophobicContact CG2-CB 4.36Å; P239-D241 PolarHBondContact O-N 2.86Å; D241-M243 PolarHBondContact O-N 3.45Å; D241-M243 WeakPolarHBondContact OD1-CB 3.31Å; D241-M243 PolarHBondContact OD1-N 3.28Å; D241-M243 WeakPolarHBondContact OD2-CB 3.24Å; D241-H244 PolarHBondContact O-N 3.27Å; D241-H244 WeakPolarHBondContact OD2-CB 3.42Å; D241-H244 IonicContact OD2-CE1 2.82Å; D241-H244 IonicContact OD2-CG 3.32Å; D241-H244 VanDerWaalsContact OD2-CG 3.31Å; D241-H244 PolarHBondContact OD2-N 3.29Å; D241-H244 IonicContact OD2-ND1 3.82Å; D241-H244 PolarHBondContact OD2-ND1 3.48Å; D241-M245 VanDerWaalsContact O-CB 3.23Å; D241-M245 WeakPolarHBondContact O-CB 3.47Å; D241-M245 PolarHBondContact O-N 3.2Å; D241-S401 WeakPolarHBondContact OD1-CA 3.34Å; D241-A402 PolarHBondContact OD1-N 2.76Å; D241-A402 WeakPolarHBondContact OD2-CB 3.43Å
242	P	98.5	Very high	98.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.7	-25.9	-179	-26.2	39.6	0	0	0	113.3	L240 V246 Y247 L387 L397 F400	L240-P242 WeakPolarHBondContact O-CD 3.32Å; L240-P242 VanDerWaalsContact O-N 3.13Å; P242-V246 HydrophobicContact CB-CB 4.49Å; P242-V246 HydrophobicContact CB-CG2 4.21Å; P242-V246 WeakPolarHBondContact O-CA 3.24Å; P242-V246 WeakPolarHBondContact O-CB 3.45Å; P242-V246 PolarHBondContact O-N 2.86Å; P242-Y247 HydrophobicContact CB-CE2 4.47Å; P242-Y247 PolarHBondContact O-N 3.43Å; P242-Y247 VanDerWaalsContact O-N 3.12Å; P242-L387 HydrophobicContact CG-CD1 4.35Å; P242-L397 HydrophobicContact CB-CB 4.26Å; P242-L397 HydrophobicContact CB-CD2 4.23Å; P242-L397 HydrophobicContact CG-CB 4.11Å; P242-L397 HydrophobicContact CG-CD2 3.8Å; P242-L397 WeakPolarHBondContact CG-O 3.5Å; P242-F400 VanDerWaalsContact CD-CE2 3.48Å; P242-F400 HydrophobicContact CG-CD2 4.03Å; P242-F400 HydrophobicContact CG-CE2 3.45Å; P242-F400 VanDerWaalsContact CG-CE2 3.45Å; P242-F400 HydrophobicContact CG-CZ 3.81Å
243	M	98.3	Very high	98.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.086	C	C	.	.	I	π-helix	trans	-61.4	-51.1	179.4	-171.7	-170.3	82.6	0	0	111.5	D241 L248 A307 A402 F403 E406	D241-M243 PolarHBondContact O-N 3.45Å; D241-M243 WeakPolarHBondContact OD1-CB 3.31Å; D241-M243 PolarHBondContact OD1-N 3.28Å; D241-M243 WeakPolarHBondContact OD2-CB 3.24Å; M243-L248 PolarHBondContact O-N 2.86Å; M243-A307 HydrophobicContact CG-CB 3.51Å; M243-A307 HydrophobicContact SD-CB 4.32Å; M243-A402 HydrophobicContact CB-CB 4.33Å; M243-A402 HydrophobicContact CE-CB 3.7Å; M243-A402 HydrophobicContact SD-CB 4.1Å; M243-F403 HydrophobicContact CB-CD2 4.28Å; M243-F403 HydrophobicContact CB-CE2 4.21Å; M243-F403 HydrophobicContact CB-CZ 4.44Å; M243-F403 HydrophobicContact CG-CD1 3.89Å; M243-F403 HydrophobicContact CG-CD2 4.15Å; M243-F403 HydrophobicContact CG-CE1 3.72Å; M243-F403 HydrophobicContact CG-CE2 3.98Å; M243-F403 HydrophobicContact CG-CG 4.1Å; M243-F403 HydrophobicContact CG-CZ 3.76Å; M243-F403 HydrophobicContact SD-CB 4.28Å; M243-F403 HydrophobicContact SD-CD1 3.48Å; M243-F403 WeakPolarHBondContact SD-CD1 3.48Å; M243-F403 HydrophobicContact SD-CD2 4.36Å; M243-F403 HydrophobicContact SD-CE1 3.87Å; M243-F403 HydrophobicContact SD-CG 3.76Å; M243-F403 HydrophobicContact SD-CZ 4.45Å; M243-F403 PolarHBondContact SD-N 2.85Å; M243-F403 VanDerWaalsContact SD-N 3.45Å; M243-E406 HydrophobicContact CE-CB 4.24Å; M243-E406 WeakPolarHBondContact CE-OE2 3.36Å; M243-E406 HydrophobicContact SD-CB 4.4Å
244	H	97.9	Very high	98.3	Very high	44 Å²	44	14 Å²	14	20%	0.204	7%	0.072	C	C	.	.	I	π-helix	trans	-78.7	-42.4	177.1	-67.4	107.1	0	0	0	112.6	D84 D164 D241 G249	D84-H244 IonicContact OD2-CE1 2.8Å; D164-H244 HydrophobicContact CB-CB 4.4Å; D241-H244 PolarHBondContact O-N 3.27Å; D241-H244 WeakPolarHBondContact OD2-CB 3.42Å; D241-H244 IonicContact OD2-CE1 2.82Å; D241-H244 IonicContact OD2-CG 3.32Å; D241-H244 VanDerWaalsContact OD2-CG 3.31Å; D241-H244 PolarHBondContact OD2-N 3.29Å; D241-H244 IonicContact OD2-ND1 3.82Å; D241-H244 PolarHBondContact OD2-ND1 3.48Å; H244-G249 WeakPolarHBondContact O-CA 3.36Å; H244-G249 PolarHBondContact O-N 3.25Å
245	M	98	Very high	98.3	Very high	6 Å²	6	14 Å²	14	3%	0.03	7%	0.072	C	C	.	.	I	π-helix	trans	-76.9	-53.6	-172.1	-168.3	-145.6	111.2	0	0	112.5	L240 D241 G249 V250 N380 L384 L387	L240-M245 HydrophobicContact CB-SD 4.09Å; L240-M245 HydrophobicContact CD1-SD 4.17Å; D241-M245 VanDerWaalsContact O-CB 3.23Å; D241-M245 WeakPolarHBondContact O-CB 3.47Å; D241-M245 PolarHBondContact O-N 3.2Å; M245-G249 CarbonylContact O-C 3.57Å; M245-G249 VanDerWaalsContact O-CA 3.23Å; M245-G249 WeakPolarHBondContact O-CA 3.47Å; M245-V250 HydrophobicContact CE-CG2 4.46Å; M245-V250 WeakPolarHBondContact O-CG2 3.44Å; M245-V250 PolarHBondContact O-N 3.26Å; M245-N380 WeakPolarHBondContact CE-O 3.31Å; M245-N380 HydrophobicContact CG-CB 4.21Å; M245-L384 HydrophobicContact CE-CB 4.16Å; M245-L384 HydrophobicContact CE-CD2 3.32Å; M245-L384 HydrophobicContact CE-CG 3.52Å; M245-L387 HydrophobicContact CE-CD2 4.27Å
246	V	98.8	Very high	98.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	I	π-helix	trans	-83.8	-52.1	-173.3	179.2	0	0	0	0	110.8	P242 V250 T251 L314 M341 L384 L387	P242-V246 HydrophobicContact CB-CB 4.49Å; P242-V246 HydrophobicContact CB-CG2 4.21Å; P242-V246 WeakPolarHBondContact O-CA 3.24Å; P242-V246 WeakPolarHBondContact O-CB 3.45Å; P242-V246 PolarHBondContact O-N 2.86Å; V246-V250 PolarHBondContact O-N 2.77Å; V246-T251 WeakPolarHBondContact O-CB 3.32Å; V246-T251 PolarHBondContact O-N 3.25Å; V246-T251 PolarHBondContact O-OG1 3.49Å; V246-L314 HydrophobicContact CG1-CD2 3.64Å; V246-M341 HydrophobicContact CB-SD 4.45Å; V246-M341 HydrophobicContact CG1-CG 3.77Å; V246-M341 HydrophobicContact CG1-SD 3.7Å; V246-M341 HydrophobicContact CG2-SD 3.84Å; V246-L384 HydrophobicContact CG2-CD2 4.33Å; V246-L387 HydrophobicContact CG2-CD2 3.58Å
247	Y	98.6	Very high	98.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-80.4	-60.8	-171.6	-51.4	-41.4	0	0	0	111.9	P242 G249 T251 K252 C310 R311 L314 F403	P242-Y247 HydrophobicContact CB-CE2 4.47Å; P242-Y247 PolarHBondContact O-N 3.43Å; P242-Y247 VanDerWaalsContact O-N 3.12Å; Y247-G249 VanDerWaalsContact C-N 3.35Å; Y247-T251 WeakPolarHBondContact O-CB 3.41Å; Y247-K252 PolarHBondContact O-N 2.92Å; Y247-C310 WeakPolarHBondContact O-CB 3.33Å; Y247-C310 PolarHBondContact O-SG 2.89Å; Y247-R311 HydrophobicContact CD1-CB 3.87Å; Y247-R311 HydrophobicContact CD1-CG 4.28Å; Y247-R311 HydrophobicContact CD2-CB 3.92Å; Y247-R311 HydrophobicContact CD2-CG 4.32Å; Y247-R311 HydrophobicContact CE1-CB 3.95Å; Y247-R311 HydrophobicContact CE1-CG 3.82Å; Y247-R311 HydrophobicContact CE2-CB 4.04Å; Y247-R311 HydrophobicContact CE2-CG 3.91Å; Y247-R311 HydrophobicContact CG-CB 3.89Å; Y247-L314 HydrophobicContact CD1-CD2 4.19Å; Y247-L314 HydrophobicContact CE1-CD2 4.16Å; Y247-F403 AromaticContact CD2-CE2 3.81Å; Y247-F403 HydrophobicContact CD2-CE2 3.81Å; Y247-F403 AromaticContact CD2-CZ 3.83Å; Y247-F403 HydrophobicContact CD2-CZ 3.83Å; Y247-F403 AromaticContact CE2-CE2 3.71Å; Y247-F403 HydrophobicContact CE2-CE2 3.71Å; Y247-F403 HydrophobicContact CE2-CZ 4.17Å
248	L	97.9	Very high	98.3	Very high	52 Å²	52	12.1 Å²	12.1	27%	0.272	6%	0.063	S	C	.	.	I	π-helix	trans	-73	-28	178.1	-71.6	174.7	0	0	0	113.2	M243 K252 A307	M243-L248 PolarHBondContact O-N 2.86Å; L248-K252 WeakPolarHBondContact O-CB 3.15Å; L248-A307 HydrophobicContact CD1-CB 4.02Å; L248-A307 HydrophobicContact CD2-CB 4.13Å; L248-A307 HydrophobicContact CG-CB 3.73Å
249	G	97.7	Very high	98.3	Very high	12 Å²	12	13.7 Å²	13.7	12%	0.124	7%	0.071	C	C	.	.	I	π-helix	trans	-84.3	-86.1	-179.6	0	0	0	0	0	112.4	H244 M245 Y247 K253 N380	H244-G249 WeakPolarHBondContact O-CA 3.36Å; H244-G249 PolarHBondContact O-N 3.25Å; M245-G249 CarbonylContact O-C 3.57Å; M245-G249 VanDerWaalsContact O-CA 3.23Å; M245-G249 WeakPolarHBondContact O-CA 3.47Å; Y247-G249 VanDerWaalsContact C-N 3.35Å; G249-K253 WeakPolarHBondContact O-CB 3.47Å; G249-K253 PolarHBondContact O-N 3.46Å; G249-N380 WeakPolarHBondContact CA-ND2 3.39Å
250	V	98.7	Very high	98.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	9%	0.088	C	C	.	.	I	π-helix	trans	-64.1	-49.9	-170.6	179.6	0	0	0	0	112.3	M245 V246 K252 K253 L254 L337 F364 N380 V381 L384	M245-V250 HydrophobicContact CE-CG2 4.46Å; M245-V250 WeakPolarHBondContact O-CG2 3.44Å; M245-V250 PolarHBondContact O-N 3.26Å; V246-V250 PolarHBondContact O-N 2.77Å; V250-K252 PolarHBondContact O-N 3.03Å; V250-K253 WeakPolarHBondContact O-CB 3.5Å; V250-K253 PolarHBondContact O-N 3.37Å; V250-K253 VanDerWaalsContact O-N 3.17Å; V250-L254 HydrophobicContact CG1-CD1 4.15Å; V250-L254 HydrophobicContact CG1-CG 4.41Å; V250-L254 PolarHBondContact O-N 3.46Å; V250-L337 HydrophobicContact CG1-CD1 4.48Å; V250-L337 HydrophobicContact CG1-CD2 3.52Å; V250-F364 HydrophobicContact CG1-CZ 4.4Å; V250-N380 HydrophobicContact CG2-CB 4.22Å; V250-N380 VanDerWaalsContact CG2-O 3.25Å; V250-N380 WeakPolarHBondContact CG2-O 3.41Å; V250-V381 HydrophobicContact CG2-CG2 4.36Å; V250-L384 HydrophobicContact CG1-CD1 4.02Å; V250-L384 HydrophobicContact CG2-CD1 3.93Å; V250-L384 HydrophobicContact CG2-CD2 4.28Å; V250-L384 HydrophobicContact CG2-CG 4.04Å
251	T	98.8	Very high	98.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	I	π-helix	trans	-61.4	-49.2	-175.3	-50.7	0	0	0	0	110.5	V246 Y247 K253 L254 V255 C310 F313 L314	V246-T251 WeakPolarHBondContact O-CB 3.32Å; V246-T251 PolarHBondContact O-N 3.25Å; V246-T251 PolarHBondContact O-OG1 3.49Å; Y247-T251 WeakPolarHBondContact O-CB 3.41Å; T251-K253 VanDerWaalsContact C-N 3.29Å; T251-K253 PolarHBondContact O-N 2.93Å; T251-L254 PolarHBondContact O-N 2.75Å; T251-V255 WeakPolarHBondContact O-CG2 3.33Å; T251-V255 PolarHBondContact O-N 3.3Å; T251-V255 VanDerWaalsContact O-N 3.16Å; T251-C310 HydrophobicContact CG2-CB 4.18Å; T251-F313 HydrophobicContact CG2-CD1 4.22Å; T251-L314 HydrophobicContact CG2-CB 3.99Å; T251-L314 HydrophobicContact CG2-CD1 4.49Å
252	K	98.4	Very high	98.2	Very high	45 Å²	45	18.4 Å²	18.4	20%	0.196	10%	0.095	C	C	.	.	H	α-helix	trans	-62.5	-37.8	177.9	-164.1	169.4	179.9	162.3	0	111.7	Y247 L248 V250 T256 L302 S303 W305	Y247-K252 PolarHBondContact O-N 2.92Å; L248-K252 WeakPolarHBondContact O-CB 3.15Å; V250-K252 PolarHBondContact O-N 3.03Å; K252-T256 WeakPolarHBondContact O-CB 3.35Å; K252-T256 PolarHBondContact O-N 2.88Å; K252-T256 PolarHBondContact O-OG1 3.44Å; K252-L302 WeakPolarHBondContact CE-O 3.44Å; K252-L302 HydrophobicContact CG-CD1 3.95Å; K252-L302 HydrophobicContact CG-CG 4.27Å; K252-L302 PolarHBondContact NZ-O 2.65Å; K252-S303 PolarHBondContact NZ-O 2.84Å; K252-W305 PolarHBondContact NZ-O 3.32Å
253	K	98.2	Very high	98.1	Very high	41 Å²	41	25.6 Å²	25.6	18%	0.178	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-46.1	176.7	179.6	62.4	175.4	160.2	0	111.9	G249 V250 T251 V255 T256 L257 N376	G249-K253 WeakPolarHBondContact O-CB 3.47Å; G249-K253 PolarHBondContact O-N 3.46Å; V250-K253 WeakPolarHBondContact O-CB 3.5Å; V250-K253 PolarHBondContact O-N 3.37Å; V250-K253 VanDerWaalsContact O-N 3.17Å; T251-K253 VanDerWaalsContact C-N 3.29Å; T251-K253 PolarHBondContact O-N 2.93Å; K253-V255 PolarHBondContact O-N 3.12Å; K253-T256 WeakPolarHBondContact O-CB 3.47Å; K253-T256 PolarHBondContact O-N 2.95Å; K253-L257 HydrophobicContact CD-CD1 4.32Å; K253-L257 HydrophobicContact CD-CG 4.41Å; K253-L257 HydrophobicContact CG-CD1 4.11Å; K253-L257 VanDerWaalsContact O-CG 3.31Å; K253-L257 WeakPolarHBondContact O-CG 3.37Å; K253-L257 PolarHBondContact O-N 3.37Å; K253-N376 WeakPolarHBondContact CE-OD1 3.45Å; K253-N376 PolarHBondContact NZ-OD1 3.05Å
254	L	98.7	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.6	-50.2	176.5	-77.9	174.3	0	0	0	111.6	V250 T251 T256 L257 W258 F334 L337 F364 Y368 Y372	V250-L254 HydrophobicContact CG1-CD1 4.15Å; V250-L254 HydrophobicContact CG1-CG 4.41Å; V250-L254 PolarHBondContact O-N 3.46Å; T251-L254 PolarHBondContact O-N 2.75Å; L254-T256 VanDerWaalsContact C-N 3.28Å; L254-T256 PolarHBondContact O-N 3.26Å; L254-L257 WeakPolarHBondContact O-CB 3.44Å; L254-L257 PolarHBondContact O-N 3.3Å; L254-L257 VanDerWaalsContact O-N 3.13Å; L254-W258 HydrophobicContact CB-CZ2 4.02Å; L254-W258 VanDerWaalsContact O-CG 3.24Å; L254-W258 PolarHBondContact O-N 3.19Å; L254-F334 HydrophobicContact CD1-CD2 4.22Å; L254-L337 HydrophobicContact CD1-CD2 3.49Å; L254-L337 VanDerWaalsContact CD1-CD2 3.49Å; L254-F364 HydrophobicContact CD1-CE2 4.5Å; L254-F364 HydrophobicContact CD1-CZ 4.31Å; L254-Y368 HydrophobicContact CD2-CD2 3.88Å; L254-Y368 HydrophobicContact CD2-CE2 3.53Å; L254-Y368 HydrophobicContact CG-CE2 4.32Å; L254-Y372 HydrophobicContact CD2-CD2 4.18Å; L254-Y372 HydrophobicContact CD2-CE1 4.42Å; L254-Y372 HydrophobicContact CD2-CE2 3.4Å
255	V	98.6	Very high	97.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-37.4	179.3	-175.3	0	0	0	0	111.4	T251 K253 L257 W258 I259 L299 L302 W305 F313	T251-V255 WeakPolarHBondContact O-CG2 3.33Å; T251-V255 PolarHBondContact O-N 3.3Å; T251-V255 VanDerWaalsContact O-N 3.16Å; K253-V255 PolarHBondContact O-N 3.12Å; V255-L257 PolarHBondContact O-N 3.49Å; V255-W258 HydrophobicContact CB-CE3 4.28Å; V255-W258 HydrophobicContact CB-CZ3 4.5Å; V255-W258 HydrophobicContact CG1-CE3 4.41Å; V255-W258 HydrophobicContact CG2-CE3 4.05Å; V255-W258 HydrophobicContact CG2-CH2 4.44Å; V255-W258 HydrophobicContact CG2-CZ3 3.78Å; V255-W258 PolarHBondContact O-N 3.18Å; V255-I259 HydrophobicContact CG1-CD1 4.43Å; V255-I259 WeakPolarHBondContact O-CG1 3.41Å; V255-I259 PolarHBondContact O-N 3.26Å; V255-I259 VanDerWaalsContact O-N 3.09Å; V255-L299 HydrophobicContact CG1-CD1 4.18Å; V255-L299 HydrophobicContact CG1-CD2 3.52Å; V255-L299 HydrophobicContact CG1-CG 4.33Å; V255-L302 HydrophobicContact CB-CD1 3.98Å; V255-L302 HydrophobicContact CB-CD2 3.94Å; V255-L302 HydrophobicContact CG1-CD1 3.83Å; V255-L302 HydrophobicContact CG1-CD2 3.74Å; V255-L302 HydrophobicContact CG1-CG 4.35Å; V255-W305 HydrophobicContact CG1-CH2 4.44Å; V255-W305 HydrophobicContact CG2-CZ3 4.22Å; V255-F313 HydrophobicContact CG2-CD1 4.33Å; V255-F313 HydrophobicContact CG2-CE1 3.85Å; V255-F313 HydrophobicContact CG2-CZ 4.41Å
256	T	98.4	Very high	97.7	Very high	44 Å²	44	43.5 Å²	43.5	27%	0.27	20%	0.204	S	C	.	.	H	α-helix	trans	-61	-45.7	174.5	-56.5	0	0	0	0	110.8	K252 K253 L254 W258 I259 E260 L302	K252-T256 WeakPolarHBondContact O-CB 3.35Å; K252-T256 PolarHBondContact O-N 2.88Å; K252-T256 PolarHBondContact O-OG1 3.44Å; K253-T256 WeakPolarHBondContact O-CB 3.47Å; K253-T256 PolarHBondContact O-N 2.95Å; L254-T256 VanDerWaalsContact C-N 3.28Å; L254-T256 PolarHBondContact O-N 3.26Å; T256-W258 VanDerWaalsContact C-N 3.32Å; T256-W258 PolarHBondContact O-N 2.92Å; T256-I259 PolarHBondContact O-N 2.92Å; T256-E260 WeakPolarHBondContact O-CG 3.21Å; T256-E260 PolarHBondContact O-N 2.95Å; T256-L302 VanDerWaalsContact OG1-CD2 3.3Å; T256-L302 WeakPolarHBondContact OG1-CD2 3.28Å
257	L	98.3	Very high	97.5	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-38.5	177.8	-70.8	165.3	0	0	0	111.9	K253 L254 V255 E260 L261 Y368 Y372 N376	K253-L257 HydrophobicContact CD-CD1 4.32Å; K253-L257 HydrophobicContact CD-CG 4.41Å; K253-L257 HydrophobicContact CG-CD1 4.11Å; K253-L257 VanDerWaalsContact O-CG 3.31Å; K253-L257 WeakPolarHBondContact O-CG 3.37Å; K253-L257 PolarHBondContact O-N 3.37Å; L254-L257 WeakPolarHBondContact O-CB 3.44Å; L254-L257 PolarHBondContact O-N 3.3Å; L254-L257 VanDerWaalsContact O-N 3.13Å; V255-L257 PolarHBondContact O-N 3.49Å; L257-E260 PolarHBondContact O-N 3.33Å; L257-L261 WeakPolarHBondContact O-CB 3.37Å; L257-L261 WeakPolarHBondContact O-CG 3.08Å; L257-L261 PolarHBondContact O-N 2.85Å; L257-Y368 HydrophobicContact CD1-CE2 4.44Å; L257-Y368 WeakPolarHBondContact CD1-OH 3.42Å; L257-Y372 HydrophobicContact CB-CD1 3.91Å; L257-Y372 HydrophobicContact CB-CE1 4.26Å; L257-Y372 HydrophobicContact CD1-CD1 3.9Å; L257-Y372 HydrophobicContact CD1-CD2 4.41Å; L257-Y372 HydrophobicContact CD1-CG 3.81Å; L257-Y372 HydrophobicContact CG-CD1 4.43Å; L257-N376 HydrophobicContact CD1-CB 4.35Å
258	W	98.5	Very high	97.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-42	175.1	-58.7	-19.8	0	0	0	112.4	L254 V255 T256 L261 G262 M269 F313 L322 L326 F334 Y372	L254-W258 HydrophobicContact CB-CZ2 4.02Å; L254-W258 VanDerWaalsContact O-CG 3.24Å; L254-W258 PolarHBondContact O-N 3.19Å; V255-W258 HydrophobicContact CB-CE3 4.28Å; V255-W258 HydrophobicContact CB-CZ3 4.5Å; V255-W258 HydrophobicContact CG1-CE3 4.41Å; V255-W258 HydrophobicContact CG2-CE3 4.05Å; V255-W258 HydrophobicContact CG2-CH2 4.44Å; V255-W258 HydrophobicContact CG2-CZ3 3.78Å; V255-W258 PolarHBondContact O-N 3.18Å; T256-W258 VanDerWaalsContact C-N 3.32Å; T256-W258 PolarHBondContact O-N 2.92Å; W258-L261 PolarHBondContact O-N 2.98Å; W258-G262 PolarHBondContact O-N 3.37Å; W258-M269 HydrophobicContact CB-CE 3.75Å; W258-M269 VanDerWaalsContact O-CE 3.3Å; W258-M269 WeakPolarHBondContact O-CE 3.42Å; W258-F313 HydrophobicContact CH2-CE1 4.29Å; W258-F313 AromaticContact CZ3-CE1 3.93Å; W258-F313 HydrophobicContact CZ3-CE1 3.93Å; W258-F313 HydrophobicContact CZ3-CZ 4.04Å; W258-L322 HydrophobicContact CH2-CD1 3.65Å; W258-L322 HydrophobicContact CZ3-CD1 3.71Å; W258-L322 HydrophobicContact CZ3-CD2 4.4Å; W258-L326 HydrophobicContact CD2-CD1 4.09Å; W258-L326 HydrophobicContact CD2-CD2 4.19Å; W258-L326 HydrophobicContact CE3-CD1 4.12Å; W258-L326 HydrophobicContact CE3-CD2 4.38Å; W258-L326 HydrophobicContact CG-CD2 4.32Å; W258-L326 HydrophobicContact CH2-CD1 3.81Å; W258-L326 HydrophobicContact CZ2-CD1 3.77Å; W258-L326 HydrophobicContact CZ3-CD1 3.98Å; W258-F334 HydrophobicContact CH2-CB 4.23Å; W258-F334 AromaticContact CH2-CD2 3.42Å; W258-F334 HydrophobicContact CH2-CD2 3.42Å; W258-F334 VanDerWaalsContact CH2-CD2 3.42Å; W258-F334 AromaticContact CH2-CE2 3.86Å; W258-F334 HydrophobicContact CH2-CE2 3.86Å; W258-F334 AromaticContact CH2-CG 3.77Å; W258-F334 HydrophobicContact CH2-CG 3.77Å; W258-F334 HydrophobicContact CZ2-CB 3.89Å; W258-F334 AromaticContact CZ2-CD2 3.72Å; W258-F334 HydrophobicContact CZ2-CD2 3.72Å; W258-F334 AromaticContact CZ2-CG 3.93Å; W258-F334 HydrophobicContact CZ2-CG 3.93Å; W258-Y372 AromaticContact CD1-CE1 3.82Å; W258-Y372 AromaticContact NE1-CE1 3.71Å; W258-Y372 AromaticContact NE1-CZ 3.71Å; W258-Y372 PolarHBondContact NE1-OH 2.94Å
259	I	98.1	Very high	97.3	Very high	34 Å²	34	51.9 Å²	51.9	17%	0.174	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-46.6	175.2	-66.2	169.5	0	0	0	110.2	V255 T256 L261 G262 H263 I274 L299 L302	V255-I259 HydrophobicContact CG1-CD1 4.43Å; V255-I259 WeakPolarHBondContact O-CG1 3.41Å; V255-I259 PolarHBondContact O-N 3.26Å; V255-I259 VanDerWaalsContact O-N 3.09Å; T256-I259 PolarHBondContact O-N 2.92Å; I259-L261 PolarHBondContact O-N 3.41Å; I259-G262 WeakPolarHBondContact O-CA 3.37Å; I259-G262 PolarHBondContact O-N 2.9Å; I259-G262 VanDerWaalsContact O-N 3.13Å; I259-H263 VanDerWaalsContact CG2-NE2 3.3Å; I259-H263 WeakPolarHBondContact CG2-NE2 3.31Å; I259-H263 PolarHBondContact O-CD2 3.25Å; I259-H263 PolarHBondContact O-N 3.5Å; I259-I274 HydrophobicContact CG1-CD1 4.29Å; I259-L299 HydrophobicContact CD1-CB 4.05Å; I259-L299 HydrophobicContact CG1-CB 4.44Å; I259-L299 HydrophobicContact CG1-CD1 4.45Å; I259-L302 HydrophobicContact CD1-CB 4.24Å; I259-L302 HydrophobicContact CD1-CD2 3.65Å
260	E	96.9	Very high	97.2	Very high	75 Å²	75	54 Å²	54	35%	0.35	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-45.6	177.1	-72.2	175.7	-168.7	0	0	112.3	T256 L257 G262 H263 K264	T256-E260 WeakPolarHBondContact O-CG 3.21Å; T256-E260 PolarHBondContact O-N 2.95Å; L257-E260 PolarHBondContact O-N 3.33Å; E260-G262 VanDerWaalsContact C-N 3.28Å; E260-G262 PolarHBondContact O-N 3.48Å; E260-H263 PolarHBondContact O-N 3.5Å; E260-K264 WeakPolarHBondContact O-CB 3.48Å; E260-K264 WeakPolarHBondContact O-CG 3.43Å; E260-K264 PolarHBondContact O-N 3.44Å
261	L	97.8	Very high	97	Very high	21 Å²	21	58.1 Å²	58.1	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-61.5	-38.2	174.2	-71.3	171.8	0	0	0	111.2	L257 W258 I259 K264 R265 L266 K267 M269 L330 Y372	L257-L261 WeakPolarHBondContact O-CB 3.37Å; L257-L261 WeakPolarHBondContact O-CG 3.08Å; L257-L261 PolarHBondContact O-N 2.85Å; W258-L261 PolarHBondContact O-N 2.98Å; I259-L261 PolarHBondContact O-N 3.41Å; L261-K264 CarbonylContact O-C 3.37Å; L261-K264 PolarHBondContact O-N 3.24Å; L261-R265 WeakPolarHBondContact O-CA 3.19Å; L261-R265 PolarHBondContact O-N 3.4Å; L261-L266 HydrophobicContact CD2-CB 3.75Å; L261-L266 HydrophobicContact CD2-CD1 4.45Å; L261-L266 PolarHBondContact O-N 3.03Å; L261-K267 HydrophobicContact CD2-CG 4.2Å; L261-M269 HydrophobicContact CB-CB 3.81Å; L261-M269 HydrophobicContact CB-CG 3.88Å; L261-M269 HydrophobicContact CD1-CG 4.46Å; L261-L330 HydrophobicContact CD1-CD1 4.06Å; L261-Y372 HydrophobicContact CD1-CD1 4.2Å; L261-Y372 HydrophobicContact CD1-CE1 4.28Å
262	G	97.2	Very high	96.9	Very high	5 Å²	5	60.9 Å²	60.9	5%	0.052	30%	0.301	C	S	.	.	H	α-helix	trans	-64.8	-39.9	175.8	0	0	0	0	0	113.4	W258 I259 E260	W258-G262 PolarHBondContact O-N 3.37Å; I259-G262 WeakPolarHBondContact O-CA 3.37Å; I259-G262 PolarHBondContact O-N 2.9Å; I259-G262 VanDerWaalsContact O-N 3.13Å; E260-G262 VanDerWaalsContact C-N 3.28Å; E260-G262 PolarHBondContact O-N 3.48Å
263	H	96	Very high	96.8	Very high	151 Å²	151	59.7 Å²	59.7	70%	0.699	30%	0.297	S	S	*	.	H	α-helix	trans	-67.4	-42.2	173.8	-70.3	-52.5	0	0	0	112.1	I259 E260 R265	I259-H263 VanDerWaalsContact CG2-NE2 3.3Å; I259-H263 WeakPolarHBondContact CG2-NE2 3.31Å; I259-H263 PolarHBondContact O-CD2 3.25Å; I259-H263 PolarHBondContact O-N 3.5Å; E260-H263 PolarHBondContact O-N 3.5Å; H263-R265 VanDerWaalsContact C-N 3.28Å; H263-R265 PolarHBondContact O-N 2.9Å
264	K	96.4	Very high	96.8	Very high	140 Å²	140	58.8 Å²	58.8	61%	0.609	29%	0.294	S	S	*	.	H	α-helix	trans	-79.2	-7.9	179.5	-65.9	176.3	-179.1	175.7	0	113.8	E260 L261 L266	E260-K264 WeakPolarHBondContact O-CB 3.48Å; E260-K264 WeakPolarHBondContact O-CG 3.43Å; E260-K264 PolarHBondContact O-N 3.44Å; L261-K264 CarbonylContact O-C 3.37Å; L261-K264 PolarHBondContact O-N 3.24Å; K264-L266 VanDerWaalsContact C-N 3.33Å; K264-L266 HydrophobicContact CB-CD1 3.81Å; K264-L266 HydrophobicContact CB-CG 3.84Å; K264-L266 HydrophobicContact CD-CD1 4.13Å; K264-L266 PolarHBondContact O-N 2.94Å
265	R	95.3	Very high	96.8	Very high	198 Å²	198	65.6 Å²	65.6	75%	0.747	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	42	-174.6	-58.6	-177.7	178.5	180	-0.1	113.6	L261 H263 M269	L261-R265 WeakPolarHBondContact O-CA 3.19Å; L261-R265 PolarHBondContact O-N 3.4Å; H263-R265 VanDerWaalsContact C-N 3.28Å; H263-R265 PolarHBondContact O-N 2.9Å; R265-M269 CarbonylContact C-O 3.52Å; R265-M269 VanDerWaalsContact CA-O 3.31Å; R265-M269 WeakPolarHBondContact CA-O 3.38Å
266	L	95.6	Very high	96.7	Very high	88 Å²	88	67.8 Å²	67.8	46%	0.461	33%	0.333	S	S	.	.			trans	-105.5	156.6	-177.8	-65.4	176.4	0	0	0	111.8	L261 K264 N268 M269	L261-L266 HydrophobicContact CD2-CB 3.75Å; L261-L266 HydrophobicContact CD2-CD1 4.45Å; L261-L266 PolarHBondContact O-N 3.03Å; K264-L266 VanDerWaalsContact C-N 3.33Å; K264-L266 HydrophobicContact CB-CD1 3.81Å; K264-L266 HydrophobicContact CB-CG 3.84Å; K264-L266 HydrophobicContact CD-CD1 4.13Å; K264-L266 PolarHBondContact O-N 2.94Å; L266-N268 PolarHBondContact O-N 3.06Å; L266-N268 VanDerWaalsContact O-N 3.14Å; L266-M269 WeakPolarHBondContact O-CB 3.49Å; L266-M269 PolarHBondContact O-N 3.11Å
267	K	93.6	Very high	96.7	Very high	86 Å²	86	65.7 Å²	65.7	37%	0.374	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	36	176.9	-59.9	-74.6	-167.1	166	0	113	L261 M269 P327 W370	L261-K267 HydrophobicContact CD2-CG 4.2Å; K267-M269 PolarHBondContact O-N 3.46Å; K267-M269 VanDerWaalsContact O-N 3.12Å; K267-P327 WeakPolarHBondContact O-CB 3.37Å; K267-P327 WeakPolarHBondContact O-CG 3.11Å; K267-W370 PolarHBondContact NZ-O 3.48Å; K267-W370 VanDerWaalsContact NZ-O 3.13Å
268	N	95.2	Very high	96.7	Very high	140 Å²	140	66.1 Å²	66.1	75%	0.749	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	9.8	-175.2	-56.8	-33.5	0	0	0	115.5	L266 P327	L266-N268 PolarHBondContact O-N 3.06Å; L266-N268 VanDerWaalsContact O-N 3.14Å; N268-P327 HydrophobicContact CB-CB 4.33Å; N268-P327 HydrophobicContact CB-CG 4.05Å
269	M	96.6	Very high	96.6	Very high	2 Å²	2	71.8 Å²	71.8	1%	0.01	35%	0.347	C	S	.	.			trans	-77.4	141.3	168.1	-68.6	-66.4	-66.3	0	0	110.1	W258 L261 R265 L266 K267 V273 I274 L326 P327 L330	W258-M269 HydrophobicContact CB-CE 3.75Å; W258-M269 VanDerWaalsContact O-CE 3.3Å; W258-M269 WeakPolarHBondContact O-CE 3.42Å; L261-M269 HydrophobicContact CB-CB 3.81Å; L261-M269 HydrophobicContact CB-CG 3.88Å; L261-M269 HydrophobicContact CD1-CG 4.46Å; R265-M269 CarbonylContact C-O 3.52Å; R265-M269 VanDerWaalsContact CA-O 3.31Å; R265-M269 WeakPolarHBondContact CA-O 3.38Å; L266-M269 WeakPolarHBondContact O-CB 3.49Å; L266-M269 PolarHBondContact O-N 3.11Å; K267-M269 PolarHBondContact O-N 3.46Å; K267-M269 VanDerWaalsContact O-N 3.12Å; M269-V273 HydrophobicContact CE-CG1 3.95Å; M269-V273 HydrophobicContact SD-CG1 3.89Å; M269-I274 HydrophobicContact CE-CD1 3.63Å; M269-I274 HydrophobicContact CE-CG1 4.44Å; M269-L326 HydrophobicContact CE-CD2 3.9Å; M269-L326 HydrophobicContact SD-CD2 3.63Å; M269-P327 HydrophobicContact CG-CG 4.01Å; M269-P327 WeakPolarHBondContact SD-CD 3.33Å; M269-P327 HydrophobicContact SD-CG 3.72Å; M269-L330 HydrophobicContact CG-CD1 3.69Å; M269-L330 HydrophobicContact SD-CD1 3.97Å
270	N	95.6	Very high	96.5	Very high	58 Å²	58	72.1 Å²	72.1	31%	0.31	35%	0.349	S	S	.	.			trans	-155.1	176.2	174.4	60	55.2	0	0	0	110.6	C272 V273 I274	N270-C272 PolarHBondContact O-N 2.84Å; N270-C272 WeakPolarHBondContact OD1-CA 3.3Å; N270-C272 WeakPolarHBondContact OD1-CB 3.17Å; N270-C272 PolarHBondContact OD1-N 3.35Å; N270-V273 PolarHBondContact O-N 2.9Å; N270-V273 PolarHBondContact OD1-N 3.3Å; N270-I274 PolarHBondContact O-N 3.26Å
271	S	94.5	Very high	96.4	Very high	87 Å²	87	68.6 Å²	68.6	61%	0.608	33%	0.333	S	S	*	.	H	α-helix	trans	-61.9	-27	179.6	58.1	0	0	0	0	113.9	R275	S271-R275 VanDerWaalsContact O-CB 3.26Å; S271-R275 WeakPolarHBondContact O-CB 3.31Å; S271-R275 PolarHBondContact O-N 3.22Å
272	C	96.8	Very high	96.3	Very high	57 Å²	57	70.5 Å²	70.5	39%	0.385	35%	0.348	S	S	.	.	H	α-helix	trans	-68.7	-43.5	176.1	-164.8	0	0	0	0	111.1	N270 R275 T276	N270-C272 PolarHBondContact O-N 2.84Å; N270-C272 WeakPolarHBondContact OD1-CA 3.3Å; N270-C272 WeakPolarHBondContact OD1-CB 3.17Å; N270-C272 PolarHBondContact OD1-N 3.35Å; C272-R275 PolarHBondContact O-N 3.23Å; C272-T276 PolarHBondContact O-N 3.43Å; C272-T276 PolarHBondContact O-OG1 2.91Å
273	V	97.6	Very high	96	Very high	21 Å²	21	78.5 Å²	78.5	13%	0.127	38%	0.377	C	S	.	.	H	α-helix	trans	-57.9	-51	175	176.2	0	0	0	0	110.5	M269 N270 R275 T276 I277 I325	M269-V273 HydrophobicContact CE-CG1 3.95Å; M269-V273 HydrophobicContact SD-CG1 3.89Å; N270-V273 PolarHBondContact O-N 2.9Å; N270-V273 PolarHBondContact OD1-N 3.3Å; V273-R275 VanDerWaalsContact C-N 3.34Å; V273-R275 PolarHBondContact O-N 3.07Å; V273-T276 PolarHBondContact O-N 2.85Å; V273-T276 VanDerWaalsContact O-N 3.11Å; V273-I277 HydrophobicContact CG1-CD1 4.04Å; V273-I277 WeakPolarHBondContact O-CG1 3.35Å; V273-I277 PolarHBondContact O-N 3.37Å; V273-I325 HydrophobicContact CG1-CG2 4.2Å; V273-I325 WeakPolarHBondContact CG1-O 3.3Å
274	I	97.7	Very high	95.8	Very high	22 Å²	22	71.5 Å²	71.5	11%	0.113	35%	0.345	C	S	.	.	H	α-helix	trans	-58.8	-45.2	178.5	-60.8	-59.7	0	0	0	111.4	I259 M269 N270 T276 I277 N278 L299	I259-I274 HydrophobicContact CG1-CD1 4.29Å; M269-I274 HydrophobicContact CE-CD1 3.63Å; M269-I274 HydrophobicContact CE-CG1 4.44Å; N270-I274 PolarHBondContact O-N 3.26Å; I274-T276 VanDerWaalsContact C-N 3.3Å; I274-T276 PolarHBondContact O-N 3.36Å; I274-I277 PolarHBondContact O-N 2.92Å; I274-N278 PolarHBondContact O-N 2.9Å; I274-L299 HydrophobicContact CD1-CD1 4.18Å; I274-L299 HydrophobicContact CG2-CD1 4.41Å
275	R	97.8	Very high	95.5	Very high	143 Å²	143	67.1 Å²	67.1	54%	0.54	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-38.6	176.9	-178.5	174.3	61.4	-174.5	-2.7	112.1	S271 C272 V273 N278 K279	S271-R275 VanDerWaalsContact O-CB 3.26Å; S271-R275 WeakPolarHBondContact O-CB 3.31Å; S271-R275 PolarHBondContact O-N 3.22Å; C272-R275 PolarHBondContact O-N 3.23Å; V273-R275 VanDerWaalsContact C-N 3.34Å; V273-R275 PolarHBondContact O-N 3.07Å; R275-N278 PolarHBondContact O-N 2.82Å; R275-K279 WeakPolarHBondContact O-CG 3.45Å; R275-K279 PolarHBondContact O-N 2.87Å
276	T	97.6	Very high	95.2	Very high	45 Å²	45	65.1 Å²	65.1	28%	0.276	33%	0.329	S	S	.	.	H	α-helix	trans	-66.8	-43.5	176.5	-61	0	0	0	0	111.3	C272 V273 I274 N278 K279 L280 I325	C272-T276 PolarHBondContact O-N 3.43Å; C272-T276 PolarHBondContact O-OG1 2.91Å; V273-T276 PolarHBondContact O-N 2.85Å; V273-T276 VanDerWaalsContact O-N 3.11Å; I274-T276 VanDerWaalsContact C-N 3.3Å; I274-T276 PolarHBondContact O-N 3.36Å; T276-N278 VanDerWaalsContact C-N 3.34Å; T276-N278 PolarHBondContact O-N 2.87Å; T276-K279 WeakPolarHBondContact O-CB 3.07Å; T276-K279 PolarHBondContact O-N 3.44Å; T276-L280 HydrophobicContact CG2-CD1 4.23Å; T276-L280 WeakPolarHBondContact O-CG 3.33Å; T276-L280 PolarHBondContact O-N 3.3Å; T276-I325 HydrophobicContact CG2-CD1 3.75Å; T276-I325 HydrophobicContact CG2-CG1 4.36Å; T276-I325 HydrophobicContact CG2-CG2 4.04Å
277	I	97.3	Very high	94.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-46.4	174.6	-62.4	168.1	0	0	0	110.5	V273 I274 K279 L280 I281 L299 L322 I325 L326	V273-I277 HydrophobicContact CG1-CD1 4.04Å; V273-I277 WeakPolarHBondContact O-CG1 3.35Å; V273-I277 PolarHBondContact O-N 3.37Å; I274-I277 PolarHBondContact O-N 2.92Å; I277-K279 VanDerWaalsContact C-N 3.34Å; I277-K279 PolarHBondContact O-N 3.12Å; I277-L280 PolarHBondContact O-N 3.03Å; I277-L280 VanDerWaalsContact O-N 3.13Å; I277-I281 HydrophobicContact CG2-CD1 3.88Å; I277-I281 HydrophobicContact CG2-CG1 4.27Å; I277-I281 WeakPolarHBondContact O-CG1 3.36Å; I277-I281 PolarHBondContact O-N 3.17Å; I277-L299 HydrophobicContact CB-CD1 4.2Å; I277-L299 HydrophobicContact CD1-CD1 4.35Å; I277-L299 HydrophobicContact CG2-CD1 3.79Å; I277-L299 HydrophobicContact CG2-CD2 4.34Å; I277-L299 HydrophobicContact CG2-CG 4.04Å; I277-L322 HydrophobicContact CD1-CD2 3.79Å; I277-L322 HydrophobicContact CG1-CD2 3.89Å; I277-L322 HydrophobicContact CG2-CD2 3.94Å; I277-I325 HydrophobicContact CD1-CG2 4.38Å; I277-I325 HydrophobicContact CG1-CG2 3.64Å; I277-L326 HydrophobicContact CD1-CD2 3.99Å; I277-L326 HydrophobicContact CD1-CG 4.41Å
278	N	97.8	Very high	94.9	Very high	15 Å²	15	57.1 Å²	57.1	8%	0.08	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-41.7	177.1	-74.9	-14.9	0	0	0	112.8	I274 R275 T276 L280 S282 T298 L299 D300	I274-N278 PolarHBondContact O-N 2.9Å; R275-N278 PolarHBondContact O-N 2.82Å; T276-N278 VanDerWaalsContact C-N 3.34Å; T276-N278 PolarHBondContact O-N 2.87Å; N278-L280 VanDerWaalsContact C-N 3.34Å; N278-S282 WeakPolarHBondContact O-CB 3.49Å; N278-S282 PolarHBondContact O-N 3Å; N278-S282 PolarHBondContact O-OG 3.01Å; N278-T298 HydrophobicContact CB-CG2 4.04Å; N278-T298 WeakPolarHBondContact OD1-CB 3.4Å; N278-L299 WeakPolarHBondContact OD1-CB 3.37Å; N278-L299 VanDerWaalsContact OD1-CG 3.29Å; N278-L299 WeakPolarHBondContact OD1-CG 3.48Å; N278-L299 PolarHBondContact OD1-N 3.32Å; N278-D300 VanDerWaalsContact ND2-CG 3.26Å; N278-D300 PolarHBondContact ND2-OD1 2.82Å; N278-D300 PolarHBondContact ND2-OD2 3.43Å
279	K	96.8	Very high	95	Very high	120 Å²	120	50.4 Å²	50.4	52%	0.522	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-41.4	175.2	-75.3	176.9	178.5	-174.6	0	111.7	R275 T276 I277 S282 R283	R275-K279 WeakPolarHBondContact O-CG 3.45Å; R275-K279 PolarHBondContact O-N 2.87Å; T276-K279 WeakPolarHBondContact O-CB 3.07Å; T276-K279 PolarHBondContact O-N 3.44Å; I277-K279 VanDerWaalsContact C-N 3.34Å; I277-K279 PolarHBondContact O-N 3.12Å; K279-S282 PolarHBondContact O-N 3.37Å; K279-R283 WeakPolarHBondContact O-CG 3.48Å; K279-R283 PolarHBondContact O-N 2.79Å; K279-R283 VanDerWaalsContact O-N 3.12Å
280	L	95.6	Very high	94.9	Very high	40 Å²	40	53 Å²	53	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-69.4	-45	178.8	-68.3	171.8	0	0	0	112	T276 I277 N278 S282 R283 C284 I321 I325	T276-L280 HydrophobicContact CG2-CD1 4.23Å; T276-L280 WeakPolarHBondContact O-CG 3.33Å; T276-L280 PolarHBondContact O-N 3.3Å; I277-L280 PolarHBondContact O-N 3.03Å; I277-L280 VanDerWaalsContact O-N 3.13Å; N278-L280 VanDerWaalsContact C-N 3.34Å; L280-S282 VanDerWaalsContact C-N 3.26Å; L280-S282 PolarHBondContact O-N 3.03Å; L280-R283 PolarHBondContact O-N 3.41Å; L280-R283 VanDerWaalsContact O-N 3.13Å; L280-C284 PolarHBondContact O-N 2.89Å; L280-C284 PolarHBondContact O-SG 3.25Å; L280-I321 HydrophobicContact CB-CB 4.02Å; L280-I321 HydrophobicContact CB-CG2 4.36Å; L280-I321 HydrophobicContact CD1-CB 4.29Å; L280-I321 VanDerWaalsContact CD1-O 3.25Å; L280-I321 WeakPolarHBondContact CD1-O 3.48Å; L280-I325 HydrophobicContact CD1-CD1 4.36Å; L280-I325 HydrophobicContact CD1-CG1 3.83Å
281	I	95.8	Very high	94.8	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-54.1	-47.7	173.5	-67.6	171.5	0	0	0	110	I277 R283 C284 V285 C296 L299 W305 F313 I321	I277-I281 HydrophobicContact CG2-CD1 3.88Å; I277-I281 HydrophobicContact CG2-CG1 4.27Å; I277-I281 WeakPolarHBondContact O-CG1 3.36Å; I277-I281 PolarHBondContact O-N 3.17Å; I281-R283 VanDerWaalsContact C-N 3.31Å; I281-R283 PolarHBondContact O-N 3.47Å; I281-C284 PolarHBondContact O-N 3.07Å; I281-C284 VanDerWaalsContact O-N 3.1Å; I281-V285 PolarHBondContact O-N 3.45Å; I281-C296 HydrophobicContact CG2-CB 4.22Å; I281-C296 WeakPolarHBondContact CG2-O 3.46Å; I281-L299 HydrophobicContact CD1-CD2 3.64Å; I281-L299 HydrophobicContact CD1-CG 4.13Å; I281-W305 HydrophobicContact CD1-CZ2 4.49Å; I281-F313 HydrophobicContact CD1-CE2 4.06Å; I281-F313 HydrophobicContact CG1-CE2 4.42Å; I281-I321 HydrophobicContact CD1-CD1 4.46Å; I281-I321 HydrophobicContact CG1-CD1 3.46Å; I281-I321 VanDerWaalsContact CG1-CD1 3.46Å
282	S	95.3	Very high	94.8	Very high	62 Å²	62	48.4 Å²	48.4	43%	0.434	24%	0.241	S	C	.	.	H	α-helix	trans	-59.6	-40.2	-179.5	-56.4	0	0	0	0	112.2	N278 K279 L280 V285 T298	N278-S282 WeakPolarHBondContact O-CB 3.49Å; N278-S282 PolarHBondContact O-N 3Å; N278-S282 PolarHBondContact O-OG 3.01Å; K279-S282 PolarHBondContact O-N 3.37Å; L280-S282 VanDerWaalsContact C-N 3.26Å; L280-S282 PolarHBondContact O-N 3.03Å; S282-V285 WeakPolarHBondContact O-CB 3.45Å; S282-V285 PolarHBondContact O-N 3.49Å; S282-T298 WeakPolarHBondContact OG-CG2 3.46Å
283	R	92.1	Very high	94.4	Very high	172 Å²	172	51.1 Å²	51.1	65%	0.649	26%	0.258	S	S	*	.	H	α-helix	trans	-66.5	-36.3	175.6	-72.7	173.6	177.3	-174.8	-2.6	112.5	K279 L280 I281 V285	K279-R283 WeakPolarHBondContact O-CG 3.48Å; K279-R283 PolarHBondContact O-N 2.79Å; K279-R283 VanDerWaalsContact O-N 3.12Å; L280-R283 PolarHBondContact O-N 3.41Å; L280-R283 VanDerWaalsContact O-N 3.13Å; I281-R283 VanDerWaalsContact C-N 3.31Å; I281-R283 PolarHBondContact O-N 3.47Å; R283-V285 VanDerWaalsContact C-N 3.27Å; R283-V285 PolarHBondContact O-N 3.42Å
284	C	91.7	Very high	94	Very high	4 Å²	4	55.3 Å²	55.3	3%	0.027	27%	0.272	C	S	.	.	H	α-helix	trans	-78.4	-7.2	-178.6	-62.4	0	0	0	0	114.2	L280 I281 E286 S287 T288 L317 I321	L280-C284 PolarHBondContact O-N 2.89Å; L280-C284 PolarHBondContact O-SG 3.25Å; I281-C284 PolarHBondContact O-N 3.07Å; I281-C284 VanDerWaalsContact O-N 3.1Å; C284-E286 VanDerWaalsContact C-N 3.28Å; C284-E286 PolarHBondContact O-N 2.85Å; C284-S287 WeakPolarHBondContact O-CB 3.36Å; C284-S287 PolarHBondContact O-N 2.94Å; C284-S287 VanDerWaalsContact O-N 3.17Å; C284-T288 PolarHBondContact O-N 2.94Å; C284-T288 PolarHBondContact O-OG1 3.02Å; C284-T288 VanDerWaalsContact O-OG1 3.09Å; C284-L317 HydrophobicContact CB-CD2 3.62Å; C284-I321 VanDerWaalsContact SG-CG2 3.56Å
285	V	89.1	Confident	93.8	Very high	49 Å²	49	58.1 Å²	58.1	30%	0.297	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-42.6	176.5	171.1	0	0	0	0	111.1	I281 S282 R283 S287 T288 K295	I281-V285 PolarHBondContact O-N 3.45Å; S282-V285 WeakPolarHBondContact O-CB 3.45Å; S282-V285 PolarHBondContact O-N 3.49Å; R283-V285 VanDerWaalsContact C-N 3.27Å; R283-V285 PolarHBondContact O-N 3.42Å; V285-S287 VanDerWaalsContact C-N 3.27Å; V285-S287 PolarHBondContact O-N 2.97Å; V285-T288 WeakPolarHBondContact O-CB 3.27Å; V285-T288 PolarHBondContact O-N 3.45Å; V285-T288 PolarHBondContact O-OG1 3.05Å; V285-K295 HydrophobicContact CG1-CB 3.99Å; V285-K295 HydrophobicContact CG1-CD 4.29Å; V285-K295 HydrophobicContact CG1-CG 3.89Å; V285-K295 HydrophobicContact CG2-CB 4.48Å
286	E	88.6	Confident	93.6	Very high	156 Å²	156	51.5 Å²	51.5	73%	0.729	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-31.4	178.8	-65.4	-180	175.6	0	0	112	C284 T288 H473 P474	C284-E286 VanDerWaalsContact C-N 3.28Å; C284-E286 PolarHBondContact O-N 2.85Å; E286-T288 PolarHBondContact O-N 2.91Å; E286-H473 PolarHBondContact O-NE2 3.22Å; E286-P474 WeakPolarHBondContact O-CB 3.37Å; E286-P474 WeakPolarHBondContact O-CG 3.46Å
287	S	89.6	Confident	93.5	Very high	5 Å²	5	53.3 Å²	53.3	4%	0.035	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-5.2	177.1	-59.4	0	0	0	0	115.1	C284 V285 P289 H473 S543	C284-S287 WeakPolarHBondContact O-CB 3.36Å; C284-S287 PolarHBondContact O-N 2.94Å; C284-S287 VanDerWaalsContact O-N 3.17Å; V285-S287 VanDerWaalsContact C-N 3.27Å; V285-S287 PolarHBondContact O-N 2.97Å; S287-P289 VanDerWaalsContact O-CD 3.3Å; S287-P289 WeakPolarHBondContact O-CD 3.33Å; S287-H473 WeakPolarHBondContact CA-NE2 3.37Å; S287-S543 VanDerWaalsContact CB-O 3.23Å; S287-S543 WeakPolarHBondContact CB-O 3.32Å; S287-S543 PolarHBondContact OG-O 3.22Å
288	T	94.9	Very high	93.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.267	C	S	.	.			trans	-84.6	120.3	-173.9	-56	0	0	0	0	110.6	C284 V285 E286 F292 K295 L312 P474	C284-T288 PolarHBondContact O-N 2.94Å; C284-T288 PolarHBondContact O-OG1 3.02Å; C284-T288 VanDerWaalsContact O-OG1 3.09Å; V285-T288 WeakPolarHBondContact O-CB 3.27Å; V285-T288 PolarHBondContact O-N 3.45Å; V285-T288 PolarHBondContact O-OG1 3.05Å; E286-T288 PolarHBondContact O-N 2.91Å; T288-F292 HydrophobicContact CG2-CB 3.73Å; T288-F292 HydrophobicContact CG2-CD2 3.63Å; T288-F292 HydrophobicContact CG2-CG 3.96Å; T288-K295 HydrophobicContact CG2-CD 3.59Å; T288-K295 PolarHBondContact O-NZ 3.14Å; T288-L312 HydrophobicContact CG2-CD2 3.98Å; T288-P474 WeakPolarHBondContact O-CG 3.38Å
289	P	96.1	Very high	93.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.			trans	-57.2	162.7	175.1	-28.5	37.9	0	0	0	114.2	S287 D291 F292 K295 D475 M542 L555	S287-P289 VanDerWaalsContact O-CD 3.3Å; S287-P289 WeakPolarHBondContact O-CD 3.33Å; P289-D291 HydrophobicContact CB-CB 4.43Å; P289-D291 WeakPolarHBondContact CB-OD2 3.42Å; P289-D291 PolarHBondContact O-N 2.92Å; P289-F292 HydrophobicContact CB-CD2 4.35Å; P289-F292 HydrophobicContact CG-CD2 4.49Å; P289-F292 HydrophobicContact CG-CE2 4.29Å; P289-F292 PolarHBondContact O-N 3.33Å; P289-K295 PolarHBondContact O-NZ 3.22Å; P289-D475 WeakPolarHBondContact CA-OD1 3.48Å; P289-D475 WeakPolarHBondContact CB-OD1 3.22Å; P289-M542 HydrophobicContact CG-CB 4.11Å; P289-M542 HydrophobicContact CG-CG 4.35Å; P289-L555 HydrophobicContact CB-CD1 4.14Å; P289-L555 HydrophobicContact CG-CD1 4.17Å; P289-L555 HydrophobicContact CG-CD2 4.36Å
290	S	94.4	Very high	93.5	Very high	56 Å²	56	53.3 Å²	53.3	39%	0.392	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.9	175.6	63	0	0	0	0	113.6	F292 D475	S290-F292 PolarHBondContact O-N 3.27Å; S290-D475 PolarHBondContact N-OD1 2.88Å; S290-D475 PolarHBondContact OG-OD1 2.96Å; S290-D475 PolarHBondContact OG-OD2 3.32Å
291	D	94.3	Very high	93.6	Very high	33 Å²	33	57.9 Å²	57.9	18%	0.176	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29	174.9	-61.3	-102.5	0	0	0	113.6	P289 P293 S467 K540 L555 H557	P289-D291 HydrophobicContact CB-CB 4.43Å; P289-D291 WeakPolarHBondContact CB-OD2 3.42Å; P289-D291 PolarHBondContact O-N 2.92Å; D291-P293 WeakPolarHBondContact O-CD 3.48Å; D291-S467 WeakPolarHBondContact OD1-CB 3.34Å; D291-S467 PolarHBondContact OD1-OG 3.37Å; D291-S467 PolarHBondContact OD2-OG 2.98Å; D291-K540 WeakPolarHBondContact OD2-CE 3.11Å; D291-K540 IonicContact OD2-NZ 2.72Å; D291-K540 PolarHBondContact OD2-NZ 2.65Å; D291-L555 HydrophobicContact CB-CD1 4.11Å; D291-L555 WeakPolarHBondContact OD2-CD1 3.16Å; D291-H557 IonicContact OD1-CD2 2.8Å; D291-H557 IonicContact OD1-CE1 3.5Å; D291-H557 PolarHBondContact OD1-CE1 2.78Å; D291-H557 IonicContact OD1-NE2 3.45Å; D291-H557 PolarHBondContact OD1-NE2 2.83Å
292	F	93.6	Very high	93.7	Very high	15 Å²	15	58.3 Å²	58.3	7%	0.066	29%	0.285	C	S	.	.	S	Bend	trans	-87.7	113.8	-180	-62.6	-79.9	0	0	0	109.1	T288 P289 S290 R294 L312 Y316 M542 L555	T288-F292 HydrophobicContact CG2-CB 3.73Å; T288-F292 HydrophobicContact CG2-CD2 3.63Å; T288-F292 HydrophobicContact CG2-CG 3.96Å; P289-F292 HydrophobicContact CB-CD2 4.35Å; P289-F292 HydrophobicContact CG-CD2 4.49Å; P289-F292 HydrophobicContact CG-CE2 4.29Å; P289-F292 PolarHBondContact O-N 3.33Å; S290-F292 PolarHBondContact O-N 3.27Å; F292-R294 PolarHBondContact O-N 2.94Å; F292-L312 HydrophobicContact CB-CD2 4.48Å; F292-L312 HydrophobicContact CD1-CB 4.14Å; F292-L312 HydrophobicContact CD1-CD1 3.79Å; F292-L312 HydrophobicContact CD1-CD2 4.47Å; F292-L312 HydrophobicContact CD1-CG 4.34Å; F292-L312 HydrophobicContact CD2-CD1 4.12Å; F292-L312 HydrophobicContact CE1-CB 4.3Å; F292-L312 HydrophobicContact CE1-CD1 3.64Å; F292-L312 HydrophobicContact CE2-CD1 3.97Å; F292-L312 HydrophobicContact CG-CD1 4.02Å; F292-L312 HydrophobicContact CG-CD2 4.4Å; F292-L312 HydrophobicContact CZ-CD1 3.73Å; F292-Y316 AromaticContact CE1-CD2 3.99Å; F292-Y316 HydrophobicContact CE1-CD2 3.99Å; F292-Y316 AromaticContact CE1-CE2 3.78Å; F292-Y316 HydrophobicContact CE1-CE2 3.78Å; F292-Y316 HydrophobicContact CZ-CD1 4.33Å; F292-Y316 AromaticContact CZ-CD2 3.82Å; F292-Y316 HydrophobicContact CZ-CD2 3.82Å; F292-Y316 HydrophobicContact CZ-CE1 4.21Å; F292-Y316 AromaticContact CZ-CE2 3.7Å; F292-Y316 HydrophobicContact CZ-CE2 3.7Å; F292-Y316 HydrophobicContact CZ-CG 4.16Å; F292-Y316 AromaticContact CZ-CZ 3.91Å; F292-M542 HydrophobicContact CE2-SD 4.02Å; F292-M542 HydrophobicContact CZ-SD 4.47Å; F292-L555 HydrophobicContact CE2-CD2 3.6Å; F292-L555 HydrophobicContact CZ-CD2 3.73Å
293	P	87.8	Confident	93.6	Very high	115 Å²	115	60 Å²	60	75%	0.747	30%	0.296	S	S	*	.	S	Bend	trans	-66.2	-12.9	-177.2	28.2	-36.5	0	0	0	112.7	D291	D291-P293 WeakPolarHBondContact O-CD 3.48Å
294	R	89.7	Confident	93.8	Very high	109 Å²	109	55.3 Å²	55.3	41%	0.411	29%	0.287	S	S	.	.	S	Bend	trans	-137.9	142.7	175.6	-61	-174.1	-174.5	-84.8	-3.9	109.7	F292 S308 E309	F292-R294 PolarHBondContact O-N 2.94Å; R294-S308 WeakPolarHBondContact CD-OG 3.33Å; R294-E309 HydrophobicContact CB-CG 3.93Å
295	K	93.4	Very high	94.1	Very high	80 Å²	80	55.2 Å²	55.2	35%	0.348	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-79.8	151.4	164	-51.5	-60	-175	-165.8	0	109.1	V285 T288 P289 R297	V285-K295 HydrophobicContact CG1-CB 3.99Å; V285-K295 HydrophobicContact CG1-CD 4.29Å; V285-K295 HydrophobicContact CG1-CG 3.89Å; V285-K295 HydrophobicContact CG2-CB 4.48Å; T288-K295 HydrophobicContact CG2-CD 3.59Å; T288-K295 PolarHBondContact O-NZ 3.14Å; P289-K295 PolarHBondContact O-NZ 3.22Å; K295-R297 PolarHBondContact O-N 3.18Å
296	C	94	Very high	94.4	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.034	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-73.2	122.7	175.6	-169.3	0	0	0	0	109.5	I281 L312 L317	I281-C296 HydrophobicContact CG2-CB 4.22Å; I281-C296 WeakPolarHBondContact CG2-O 3.46Å; C296-L312 HydrophobicContact CB-CD2 4.04Å; C296-L317 HydrophobicContact CB-CD1 3.55Å
297	R	96.4	Very high	94.8	Very high	83 Å²	83	50.3 Å²	50.3	31%	0.313	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-77.6	161.9	171.9	-72.8	171.6	-75	178.5	-0.7	110.8	K295 Y301 V304 W305 E309	K295-R297 PolarHBondContact O-N 3.18Å; R297-Y301 HydrophobicContact CB-CD2 4.38Å; R297-V304 VanDerWaalsContact NH2-C 3.33Å; R297-V304 PolarHBondContact NH2-O 3.3Å; R297-W305 WeakPolarHBondContact O-CZ2 3.45Å; R297-W305 PolarHBondContact O-NE1 2.81Å; R297-E309 IonicContact CZ-OE1 3.95Å; R297-E309 IonicContact CZ-OE2 2.67Å; R297-E309 PolarHBondContact N-OE2 2.94Å; R297-E309 IonicContact NE-OE1 3.53Å; R297-E309 IonicContact NE-OE2 3.46Å; R297-E309 PolarHBondContact NE-OE2 2.62Å; R297-E309 IonicContact NH2-OE1 3.41Å; R297-E309 PolarHBondContact NH2-OE1 2.8Å; R297-E309 IonicContact NH2-OE2 2.75Å; R297-E309 PolarHBondContact NH2-OE2 2.94Å
298	T	97.6	Very high	95.1	Very high	21 Å²	21	51.2 Å²	51.2	13%	0.129	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-61.8	164.6	173.6	64.4	0	0	0	0	111.8	N278 S282 D300 Y301 W305	N278-T298 HydrophobicContact CB-CG2 4.04Å; N278-T298 WeakPolarHBondContact OD1-CB 3.4Å; S282-T298 WeakPolarHBondContact OG-CG2 3.46Å; T298-D300 PolarHBondContact O-N 3.41Å; T298-D300 PolarHBondContact OG1-OD2 3.23Å; T298-Y301 PolarHBondContact O-N 3.41Å; T298-Y301 VanDerWaalsContact O-N 3.09Å; T298-Y301 WeakPolarHBondContact OG1-CD2 3.32Å; T298-W305 PolarHBondContact O-NE1 2.91Å
299	L	97.3	Very high	95.2	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-61.7	-22.9	179.6	-56.3	-163.6	0	0	0	112.4	V255 I259 I274 I277 N278 I281 Y301 L302 W305	V255-L299 HydrophobicContact CG1-CD1 4.18Å; V255-L299 HydrophobicContact CG1-CD2 3.52Å; V255-L299 HydrophobicContact CG1-CG 4.33Å; I259-L299 HydrophobicContact CD1-CB 4.05Å; I259-L299 HydrophobicContact CG1-CB 4.44Å; I259-L299 HydrophobicContact CG1-CD1 4.45Å; I274-L299 HydrophobicContact CD1-CD1 4.18Å; I274-L299 HydrophobicContact CG2-CD1 4.41Å; I277-L299 HydrophobicContact CB-CD1 4.2Å; I277-L299 HydrophobicContact CD1-CD1 4.35Å; I277-L299 HydrophobicContact CG2-CD1 3.79Å; I277-L299 HydrophobicContact CG2-CD2 4.34Å; I277-L299 HydrophobicContact CG2-CG 4.04Å; N278-L299 WeakPolarHBondContact OD1-CB 3.37Å; N278-L299 VanDerWaalsContact OD1-CG 3.29Å; N278-L299 WeakPolarHBondContact OD1-CG 3.48Å; N278-L299 PolarHBondContact OD1-N 3.32Å; I281-L299 HydrophobicContact CD1-CD2 3.64Å; I281-L299 HydrophobicContact CD1-CG 4.13Å; L299-Y301 PolarHBondContact O-N 3.16Å; L299-L302 WeakPolarHBondContact O-CB 3.43Å; L299-L302 PolarHBondContact O-N 3.22Å; L299-W305 HydrophobicContact CD2-CH2 3.7Å; L299-W305 HydrophobicContact CD2-CZ2 3.69Å
300	D	96.2	Very high	95.3	Very high	110 Å²	110	51.3 Å²	51.3	59%	0.588	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-61.4	-25.2	176.3	-45.6	-49.9	0	0	0	112.2	N278 T298	N278-D300 VanDerWaalsContact ND2-CG 3.26Å; N278-D300 PolarHBondContact ND2-OD1 2.82Å; N278-D300 PolarHBondContact ND2-OD2 3.43Å; T298-D300 PolarHBondContact O-N 3.41Å; T298-D300 PolarHBondContact OG1-OD2 3.23Å
301	Y	97.2	Very high	95.5	Very high	135 Å²	135	49.7 Å²	49.7	53%	0.529	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-103.8	16.3	178.9	-59	-81.1	0	0	0	112.9	R297 T298 L299 S303 V304 W305	R297-Y301 HydrophobicContact CB-CD2 4.38Å; T298-Y301 PolarHBondContact O-N 3.41Å; T298-Y301 VanDerWaalsContact O-N 3.09Å; T298-Y301 WeakPolarHBondContact OG1-CD2 3.32Å; L299-Y301 PolarHBondContact O-N 3.16Å; Y301-S303 PolarHBondContact O-N 3.16Å; Y301-S303 VanDerWaalsContact O-N 3.14Å; Y301-V304 WeakPolarHBondContact O-CG2 3.2Å; Y301-V304 PolarHBondContact O-N 3.16Å; Y301-W305 PolarHBondContact O-N 3.23Å
302	L	97.5	Very high	95.6	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.052	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-53	-39.2	-175.9	-179.9	64.5	0	0	0	112.8	K252 V255 T256 I259 L299 V304 W305	K252-L302 WeakPolarHBondContact CE-O 3.44Å; K252-L302 HydrophobicContact CG-CD1 3.95Å; K252-L302 HydrophobicContact CG-CG 4.27Å; K252-L302 PolarHBondContact NZ-O 2.65Å; V255-L302 HydrophobicContact CB-CD1 3.98Å; V255-L302 HydrophobicContact CB-CD2 3.94Å; V255-L302 HydrophobicContact CG1-CD1 3.83Å; V255-L302 HydrophobicContact CG1-CD2 3.74Å; V255-L302 HydrophobicContact CG1-CG 4.35Å; T256-L302 VanDerWaalsContact OG1-CD2 3.3Å; T256-L302 WeakPolarHBondContact OG1-CD2 3.28Å; I259-L302 HydrophobicContact CD1-CB 4.24Å; I259-L302 HydrophobicContact CD1-CD2 3.65Å; L299-L302 WeakPolarHBondContact O-CB 3.43Å; L299-L302 PolarHBondContact O-N 3.22Å; L302-V304 PolarHBondContact O-N 2.97Å; L302-V304 VanDerWaalsContact O-N 3.1Å; L302-W305 HydrophobicContact CD1-CB 4.46Å; L302-W305 HydrophobicContact CD1-CD2 3.57Å; L302-W305 HydrophobicContact CD1-CE3 3.46Å; L302-W305 VanDerWaalsContact CD1-CE3 3.46Å; L302-W305 HydrophobicContact CD1-CG 4.04Å; L302-W305 HydrophobicContact CD1-CH2 4.36Å; L302-W305 HydrophobicContact CD1-CZ2 4.44Å; L302-W305 HydrophobicContact CD1-CZ3 3.89Å; L302-W305 WeakPolarHBondContact O-CB 3.39Å; L302-W305 PolarHBondContact O-N 3.07Å
303	S	95.1	Very high	95.8	Very high	97 Å²	97	47.4 Å²	47.4	68%	0.678	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-54.8	-33.6	-179.4	62	0	0	0	0	112.7	K252 Y301	K252-S303 PolarHBondContact NZ-O 2.84Å; Y301-S303 PolarHBondContact O-N 3.16Å; Y301-S303 VanDerWaalsContact O-N 3.14Å
304	V	95.3	Very high	96.4	Very high	74 Å²	74	42 Å²	42	45%	0.448	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-101.9	1	-178.8	-66.7	0	0	0	0	114.1	R297 Y301 L302 K306	R297-V304 VanDerWaalsContact NH2-C 3.33Å; R297-V304 PolarHBondContact NH2-O 3.3Å; Y301-V304 WeakPolarHBondContact O-CG2 3.2Å; Y301-V304 PolarHBondContact O-N 3.16Å; L302-V304 PolarHBondContact O-N 2.97Å; L302-V304 VanDerWaalsContact O-N 3.1Å; V304-K306 PolarHBondContact O-N 3.15Å
305	W	97.3	Very high	96.8	Very high	3 Å²	3	37 Å²	37	1%	0.011	19%	0.186	C	C	.	.			trans	-53.3	134.4	173.6	-81.1	18.3	0	0	0	111.1	K252 V255 I281 R297 T298 L299 Y301 L302 F313	K252-W305 PolarHBondContact NZ-O 3.32Å; V255-W305 HydrophobicContact CG1-CH2 4.44Å; V255-W305 HydrophobicContact CG2-CZ3 4.22Å; I281-W305 HydrophobicContact CD1-CZ2 4.49Å; R297-W305 WeakPolarHBondContact O-CZ2 3.45Å; R297-W305 PolarHBondContact O-NE1 2.81Å; T298-W305 PolarHBondContact O-NE1 2.91Å; L299-W305 HydrophobicContact CD2-CH2 3.7Å; L299-W305 HydrophobicContact CD2-CZ2 3.69Å; Y301-W305 PolarHBondContact O-N 3.23Å; L302-W305 HydrophobicContact CD1-CB 4.46Å; L302-W305 HydrophobicContact CD1-CD2 3.57Å; L302-W305 HydrophobicContact CD1-CE3 3.46Å; L302-W305 VanDerWaalsContact CD1-CE3 3.46Å; L302-W305 HydrophobicContact CD1-CG 4.04Å; L302-W305 HydrophobicContact CD1-CH2 4.36Å; L302-W305 HydrophobicContact CD1-CZ2 4.44Å; L302-W305 HydrophobicContact CD1-CZ3 3.89Å; L302-W305 WeakPolarHBondContact O-CB 3.39Å; L302-W305 PolarHBondContact O-N 3.07Å; W305-F313 HydrophobicContact CH2-CB 4.39Å; W305-F313 HydrophobicContact CH2-CD1 4.47Å; W305-F313 AromaticContact CH2-CD2 3.82Å; W305-F313 HydrophobicContact CH2-CD2 3.82Å; W305-F313 HydrophobicContact CH2-CE2 4.16Å; W305-F313 AromaticContact CH2-CG 3.97Å; W305-F313 HydrophobicContact CH2-CG 3.97Å; W305-F313 HydrophobicContact CZ3-CB 4.12Å; W305-F313 HydrophobicContact CZ3-CD1 4.29Å; W305-F313 HydrophobicContact CZ3-CD2 4.31Å; W305-F313 AromaticContact CZ3-CG 3.98Å; W305-F313 HydrophobicContact CZ3-CG 3.98Å
306	K	96	Very high	97	Very high	96 Å²	96	33.2 Å²	33.2	42%	0.417	17%	0.17	S	C	.	.			trans	-91	161.3	174.8	-64.5	-62.5	-170.4	172.3	0	111	V304 S308 E309 C310	V304-K306 PolarHBondContact O-N 3.15Å; K306-S308 PolarHBondContact O-N 3.44Å; K306-E309 PolarHBondContact N-OE1 3.37Å; K306-E309 WeakPolarHBondContact O-CB 3.25Å; K306-E309 PolarHBondContact O-N 2.94Å; K306-C310 PolarHBondContact O-N 3.28Å; K306-C310 VanDerWaalsContact O-N 3.07Å
307	A	96.8	Very high	97.1	Very high	5 Å²	5	33 Å²	33	4%	0.041	17%	0.168	C	C	.	.	H	α-helix	trans	-53.1	-39.6	177.7	0	0	0	0	0	112.3	M243 L248 E309 C310 R311 F403	M243-A307 HydrophobicContact CG-CB 3.51Å; M243-A307 HydrophobicContact SD-CB 4.32Å; L248-A307 HydrophobicContact CD1-CB 4.02Å; L248-A307 HydrophobicContact CD2-CB 4.13Å; L248-A307 HydrophobicContact CG-CB 3.73Å; A307-E309 VanDerWaalsContact C-N 3.31Å; A307-E309 PolarHBondContact O-N 3.38Å; A307-C310 PolarHBondContact O-N 3.25Å; A307-R311 WeakPolarHBondContact O-CB 3.25Å; A307-R311 PolarHBondContact O-N 2.99Å; A307-F403 HydrophobicContact CB-CE1 3.6Å; A307-F403 HydrophobicContact CB-CZ 3.83Å
308	S	96.1	Very high	97.1	Very high	25 Å²	25	29.1 Å²	29.1	18%	0.175	15%	0.153	C	C	.	.	H	α-helix	trans	-63.3	-33.2	176.9	62.9	0	0	0	0	113.6	R294 K306 L312	R294-S308 WeakPolarHBondContact CD-OG 3.33Å; K306-S308 PolarHBondContact O-N 3.44Å; S308-L312 WeakPolarHBondContact O-CB 3.45Å; S308-L312 PolarHBondContact O-N 3.12Å
309	E	97.5	Very high	97.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-75.2	-41.3	175.7	-71	167.1	-89.3	0	0	111.1	R294 R297 K306 A307 R311 L312 F313	R294-E309 HydrophobicContact CB-CG 3.93Å; R297-E309 IonicContact CZ-OE1 3.95Å; R297-E309 IonicContact CZ-OE2 2.67Å; R297-E309 PolarHBondContact N-OE2 2.94Å; R297-E309 IonicContact NE-OE1 3.53Å; R297-E309 IonicContact NE-OE2 3.46Å; R297-E309 PolarHBondContact NE-OE2 2.62Å; R297-E309 IonicContact NH2-OE1 3.41Å; R297-E309 PolarHBondContact NH2-OE1 2.8Å; R297-E309 IonicContact NH2-OE2 2.75Å; R297-E309 PolarHBondContact NH2-OE2 2.94Å; K306-E309 PolarHBondContact N-OE1 3.37Å; K306-E309 WeakPolarHBondContact O-CB 3.25Å; K306-E309 PolarHBondContact O-N 2.94Å; A307-E309 VanDerWaalsContact C-N 3.31Å; A307-E309 PolarHBondContact O-N 3.38Å; E309-R311 VanDerWaalsContact C-N 3.31Å; E309-R311 PolarHBondContact O-N 2.95Å; E309-L312 PolarHBondContact O-N 2.93Å; E309-F313 VanDerWaalsContact O-CB 3.29Å; E309-F313 WeakPolarHBondContact O-CB 3.37Å; E309-F313 PolarHBondContact O-N 2.73Å
310	C	98.3	Very high	97	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.8	-42.5	172.3	-68.3	0	0	0	0	111.3	Y247 T251 K306 A307 F313 L314	Y247-C310 WeakPolarHBondContact O-CB 3.33Å; Y247-C310 PolarHBondContact O-SG 2.89Å; T251-C310 HydrophobicContact CG2-CB 4.18Å; K306-C310 PolarHBondContact O-N 3.28Å; K306-C310 VanDerWaalsContact O-N 3.07Å; A307-C310 PolarHBondContact O-N 3.25Å; C310-F313 PolarHBondContact O-N 3.32Å; C310-L314 VanDerWaalsContact O-CB 3.31Å; C310-L314 WeakPolarHBondContact O-CB 3.16Å; C310-L314 PolarHBondContact O-N 3.11Å
311	R	97.9	Very high	97	Very high	23 Å²	23	24.8 Å²	24.8	9%	0.087	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-47.8	175.9	-176.5	176	174.1	-75.1	1	111.7	Y247 A307 E309 F313 L314 L315 D398	Y247-R311 HydrophobicContact CD1-CB 3.87Å; Y247-R311 HydrophobicContact CD1-CG 4.28Å; Y247-R311 HydrophobicContact CD2-CB 3.92Å; Y247-R311 HydrophobicContact CD2-CG 4.32Å; Y247-R311 HydrophobicContact CE1-CB 3.95Å; Y247-R311 HydrophobicContact CE1-CG 3.82Å; Y247-R311 HydrophobicContact CE2-CB 4.04Å; Y247-R311 HydrophobicContact CE2-CG 3.91Å; Y247-R311 HydrophobicContact CG-CB 3.89Å; A307-R311 WeakPolarHBondContact O-CB 3.25Å; A307-R311 PolarHBondContact O-N 2.99Å; E309-R311 VanDerWaalsContact C-N 3.31Å; E309-R311 PolarHBondContact O-N 2.95Å; R311-F313 VanDerWaalsContact C-N 3.3Å; R311-F313 PolarHBondContact O-N 3.28Å; R311-L314 PolarHBondContact O-N 3.49Å; R311-L315 HydrophobicContact CG-CD1 3.76Å; R311-L315 HydrophobicContact CG-CG 4.37Å; R311-L315 WeakPolarHBondContact O-CB 3.4Å; R311-L315 WeakPolarHBondContact O-CG 3.1Å; R311-L315 PolarHBondContact O-N 3Å; R311-D398 IonicContact CZ-OD1 2.64Å; R311-D398 IonicContact CZ-OD2 3.3Å; R311-D398 IonicContact NE-OD1 3.96Å; R311-D398 PolarHBondContact NE-OD1 2.91Å; R311-D398 IonicContact NE-OD2 3.36Å; R311-D398 PolarHBondContact NE-OD2 3.32Å; R311-D398 IonicContact NH2-OD1 3.62Å; R311-D398 IonicContact NH2-OD2 2.76Å; R311-D398 PolarHBondContact NH2-OD2 2.7Å
312	L	97.5	Very high	97	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.1	-43.9	174.7	171.8	60.4	0	0	0	111.3	T288 F292 C296 S308 E309 Y316 L317 M542	T288-L312 HydrophobicContact CG2-CD2 3.98Å; F292-L312 HydrophobicContact CB-CD2 4.48Å; F292-L312 HydrophobicContact CD1-CB 4.14Å; F292-L312 HydrophobicContact CD1-CD1 3.79Å; F292-L312 HydrophobicContact CD1-CD2 4.47Å; F292-L312 HydrophobicContact CD1-CG 4.34Å; F292-L312 HydrophobicContact CD2-CD1 4.12Å; F292-L312 HydrophobicContact CE1-CB 4.3Å; F292-L312 HydrophobicContact CE1-CD1 3.64Å; F292-L312 HydrophobicContact CE2-CD1 3.97Å; F292-L312 HydrophobicContact CG-CD1 4.02Å; F292-L312 HydrophobicContact CG-CD2 4.4Å; F292-L312 HydrophobicContact CZ-CD1 3.73Å; C296-L312 HydrophobicContact CB-CD2 4.04Å; S308-L312 WeakPolarHBondContact O-CB 3.45Å; S308-L312 PolarHBondContact O-N 3.12Å; E309-L312 PolarHBondContact O-N 2.93Å; L312-Y316 HydrophobicContact CD1-CD2 4.19Å; L312-Y316 HydrophobicContact CD1-CG 4.39Å; L312-Y316 WeakPolarHBondContact O-CB 3.35Å; L312-Y316 PolarHBondContact O-N 3.13Å; L312-L317 HydrophobicContact CD1-CD1 4.4Å; L312-L317 HydrophobicContact CD1-CG 4.22Å; L312-L317 HydrophobicContact CD2-CD1 4.19Å; L312-L317 HydrophobicContact CG-CD1 3.94Å; L312-L317 HydrophobicContact CG-CG 4.21Å; L312-L317 PolarHBondContact O-N 3.26Å; L312-L317 VanDerWaalsContact O-N 3.13Å; L312-M542 HydrophobicContact CD1-CE 4.28Å; L312-M542 HydrophobicContact CD1-SD 3.9Å
313	F	98	Very high	96.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	I	π-helix	trans	-65.4	-50	179	-173.9	-94.4	0	0	0	112	T251 V255 W258 I281 W305 E309 C310 R311 G318 I321 L322 F334	T251-F313 HydrophobicContact CG2-CD1 4.22Å; V255-F313 HydrophobicContact CG2-CD1 4.33Å; V255-F313 HydrophobicContact CG2-CE1 3.85Å; V255-F313 HydrophobicContact CG2-CZ 4.41Å; W258-F313 HydrophobicContact CH2-CE1 4.29Å; W258-F313 AromaticContact CZ3-CE1 3.93Å; W258-F313 HydrophobicContact CZ3-CE1 3.93Å; W258-F313 HydrophobicContact CZ3-CZ 4.04Å; I281-F313 HydrophobicContact CD1-CE2 4.06Å; I281-F313 HydrophobicContact CG1-CE2 4.42Å; W305-F313 HydrophobicContact CH2-CB 4.39Å; W305-F313 HydrophobicContact CH2-CD1 4.47Å; W305-F313 AromaticContact CH2-CD2 3.82Å; W305-F313 HydrophobicContact CH2-CD2 3.82Å; W305-F313 HydrophobicContact CH2-CE2 4.16Å; W305-F313 AromaticContact CH2-CG 3.97Å; W305-F313 HydrophobicContact CH2-CG 3.97Å; W305-F313 HydrophobicContact CZ3-CB 4.12Å; W305-F313 HydrophobicContact CZ3-CD1 4.29Å; W305-F313 HydrophobicContact CZ3-CD2 4.31Å; W305-F313 AromaticContact CZ3-CG 3.98Å; W305-F313 HydrophobicContact CZ3-CG 3.98Å; E309-F313 VanDerWaalsContact O-CB 3.29Å; E309-F313 WeakPolarHBondContact O-CB 3.37Å; E309-F313 PolarHBondContact O-N 2.73Å; C310-F313 PolarHBondContact O-N 3.32Å; R311-F313 VanDerWaalsContact C-N 3.3Å; R311-F313 PolarHBondContact O-N 3.28Å; F313-G318 WeakPolarHBondContact O-CA 3.3Å; F313-G318 PolarHBondContact O-N 3.35Å; F313-I321 HydrophobicContact CE2-CD1 4.11Å; F313-L322 HydrophobicContact CE1-CD1 4.1Å; F313-L322 HydrophobicContact CZ-CD1 3.83Å; F313-L322 HydrophobicContact CZ-CD2 4.22Å; F313-L322 HydrophobicContact CZ-CG 4.32Å; F313-F334 HydrophobicContact CD1-CZ 4.43Å; F313-F334 HydrophobicContact CE1-CE2 4.2Å; F313-F334 HydrophobicContact CE1-CZ 4.14Å
314	L	98.6	Very high	96.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	I	π-helix	trans	-64.6	-47.8	-176.5	-178.5	66.2	0	0	0	112.3	V246 Y247 T251 C310 R311 P319 F334 L337 A338 M341	V246-L314 HydrophobicContact CG1-CD2 3.64Å; Y247-L314 HydrophobicContact CD1-CD2 4.19Å; Y247-L314 HydrophobicContact CE1-CD2 4.16Å; T251-L314 HydrophobicContact CG2-CB 3.99Å; T251-L314 HydrophobicContact CG2-CD1 4.49Å; C310-L314 VanDerWaalsContact O-CB 3.31Å; C310-L314 WeakPolarHBondContact O-CB 3.16Å; C310-L314 PolarHBondContact O-N 3.11Å; R311-L314 PolarHBondContact O-N 3.49Å; L314-P319 WeakPolarHBondContact O-CD 3.41Å; L314-P319 WeakPolarHBondContact O-CG 3.23Å; L314-F334 HydrophobicContact CD1-CE2 3.69Å; L314-F334 HydrophobicContact CD1-CZ 4.07Å; L314-L337 HydrophobicContact CD1-CD2 4Å; L314-L337 HydrophobicContact CD1-CG 4.12Å; L314-A338 HydrophobicContact CD1-CB 3.99Å; L314-A338 WeakPolarHBondContact O-CB 3.48Å; L314-M341 HydrophobicContact CD2-CB 3.91Å; L314-M341 HydrophobicContact CD2-CG 3.86Å
315	L	98.1	Very high	96.9	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.026	11%	0.114	C	C	.	.	I	π-helix	trans	-88.9	-20.8	-168.2	-59.5	-176	0	0	0	113.8	R311 M341 Y342 A345 L556	R311-L315 HydrophobicContact CG-CD1 3.76Å; R311-L315 HydrophobicContact CG-CG 4.37Å; R311-L315 WeakPolarHBondContact O-CB 3.4Å; R311-L315 WeakPolarHBondContact O-CG 3.1Å; R311-L315 PolarHBondContact O-N 3Å; L315-M341 HydrophobicContact CD2-CB 3.84Å; L315-Y342 HydrophobicContact CB-CD2 4.47Å; L315-A345 HydrophobicContact CD1-CB 4.45Å; L315-L556 HydrophobicContact CD1-CD1 4.1Å
316	Y	97.4	Very high	96.9	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	12%	0.116	C	C	.	.	I	π-helix	trans	-128.8	-61.8	-172	-54.8	-91.7	0	0	0	112.4	F292 L312 M542 I544 V553 P554 L555 L556	F292-Y316 AromaticContact CE1-CD2 3.99Å; F292-Y316 HydrophobicContact CE1-CD2 3.99Å; F292-Y316 AromaticContact CE1-CE2 3.78Å; F292-Y316 HydrophobicContact CE1-CE2 3.78Å; F292-Y316 HydrophobicContact CZ-CD1 4.33Å; F292-Y316 AromaticContact CZ-CD2 3.82Å; F292-Y316 HydrophobicContact CZ-CD2 3.82Å; F292-Y316 HydrophobicContact CZ-CE1 4.21Å; F292-Y316 AromaticContact CZ-CE2 3.7Å; F292-Y316 HydrophobicContact CZ-CE2 3.7Å; F292-Y316 HydrophobicContact CZ-CG 4.16Å; F292-Y316 AromaticContact CZ-CZ 3.91Å; L312-Y316 HydrophobicContact CD1-CD2 4.19Å; L312-Y316 HydrophobicContact CD1-CG 4.39Å; L312-Y316 WeakPolarHBondContact O-CB 3.35Å; L312-Y316 PolarHBondContact O-N 3.13Å; Y316-M542 HydrophobicContact CD1-CB 4.42Å; Y316-M542 HydrophobicContact CG-SD 4.35Å; Y316-I544 WeakPolarHBondContact O-CD1 3.4Å; Y316-V553 HydrophobicContact CD1-CB 4.1Å; Y316-V553 HydrophobicContact CD1-CG1 3.62Å; Y316-V553 HydrophobicContact CE1-CG1 3.99Å; Y316-P554 WeakPolarHBondContact CE1-O 3.46Å; Y316-L555 HydrophobicContact CD1-CD2 4.49Å; Y316-L555 HydrophobicContact CE1-CD2 3.94Å; Y316-L556 PolarHBondContact OH-N 3.04Å
317	L	96.8	Very high	96.9	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.102	C	C	.	.	I	π-helix	trans	-75.2	-53.8	-169.4	-65.1	178.7	0	0	0	113.2	C284 C296 L312 V320 I321 M542 I544	C284-L317 HydrophobicContact CB-CD2 3.62Å; C296-L317 HydrophobicContact CB-CD1 3.55Å; L312-L317 HydrophobicContact CD1-CD1 4.4Å; L312-L317 HydrophobicContact CD1-CG 4.22Å; L312-L317 HydrophobicContact CD2-CD1 4.19Å; L312-L317 HydrophobicContact CG-CD1 3.94Å; L312-L317 HydrophobicContact CG-CG 4.21Å; L312-L317 PolarHBondContact O-N 3.26Å; L312-L317 VanDerWaalsContact O-N 3.13Å; L317-V320 PolarHBondContact O-N 3.01Å; L317-I321 HydrophobicContact CB-CD1 4.4Å; L317-I321 WeakPolarHBondContact O-CG1 3.32Å; L317-I321 PolarHBondContact O-N 3.21Å; L317-M542 HydrophobicContact CD2-CE 3.35Å; L317-M542 HydrophobicContact CD2-SD 4.46Å; L317-M542 HydrophobicContact CG-CE 4.19Å; L317-I544 HydrophobicContact CD2-CD1 4.18Å; L317-I544 HydrophobicContact CD2-CG1 4.32Å
318	G	97.3	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-52.9	-49.5	-173.2	0	0	0	0	0	113.4	F313 V320 I321 L322 F334	F313-G318 WeakPolarHBondContact O-CA 3.3Å; F313-G318 PolarHBondContact O-N 3.35Å; G318-V320 PolarHBondContact O-N 3.1Å; G318-I321 PolarHBondContact O-N 3Å; G318-L322 WeakPolarHBondContact O-CB 3.43Å; G318-L322 WeakPolarHBondContact O-CD1 3.46Å; G318-L322 WeakPolarHBondContact O-CG 3.5Å; G318-L322 PolarHBondContact O-N 3.36Å; G318-L322 VanDerWaalsContact O-N 3.08Å; G318-F334 VanDerWaalsContact C-CE1 3.48Å
319	P	96.8	Very high	97	Very high	26 Å²	26	26.5 Å²	26.5	17%	0.169	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-17.1	179.9	-27.9	38.1	0	0	0	114.3	L314 Y331 F334 A338 Y507	L314-P319 WeakPolarHBondContact O-CD 3.41Å; L314-P319 WeakPolarHBondContact O-CG 3.23Å; P319-Y331 PolarHBondContact O-OH 3.13Å; P319-F334 HydrophobicContact CG-CE1 4.06Å; P319-A338 HydrophobicContact CG-CB 3.56Å; P319-Y507 PolarHBondContact O-OH 3.05Å
320	V	96.2	Very high	97	Very high	9 Å²	9	26.5 Å²	26.5	6%	0.055	14%	0.138	C	C	.	.	H	α-helix	trans	-98.7	-54.3	177.6	-176.9	0	0	0	0	111.1	L317 G318 L322 Q323 Y507 I544 C546 V551	L317-V320 PolarHBondContact O-N 3.01Å; G318-V320 PolarHBondContact O-N 3.1Å; V320-L322 VanDerWaalsContact C-N 3.33Å; V320-L322 PolarHBondContact O-N 3.39Å; V320-Q323 PolarHBondContact O-N 2.9Å; V320-Y507 WeakPolarHBondContact CA-OH 3.19Å; V320-Y507 HydrophobicContact CG2-CE1 4.25Å; V320-I544 HydrophobicContact CB-CD1 4.09Å; V320-I544 HydrophobicContact CB-CG2 4.13Å; V320-I544 HydrophobicContact CG1-CB 4.24Å; V320-I544 HydrophobicContact CG1-CG2 3.68Å; V320-I544 HydrophobicContact CG2-CD1 3.75Å; V320-C546 WeakPolarHBondContact CG1-SG 3.46Å; V320-V551 HydrophobicContact CG1-CB 4.09Å; V320-V551 HydrophobicContact CG1-CG2 3.82Å; V320-V551 HydrophobicContact CG2-CB 4.02Å; V320-V551 HydrophobicContact CG2-CG1 3.76Å; V320-V551 HydrophobicContact CG2-CG2 4.35Å
321	I	95.5	Very high	97	Very high	9 Å²	9	27.7 Å²	27.7	5%	0.046	14%	0.142	C	C	.	.	H	α-helix	trans	-77	-19.8	-170	72.6	178.8	0	0	0	114	L280 I281 C284 F313 L317 G318 I544	L280-I321 HydrophobicContact CB-CB 4.02Å; L280-I321 HydrophobicContact CB-CG2 4.36Å; L280-I321 HydrophobicContact CD1-CB 4.29Å; L280-I321 VanDerWaalsContact CD1-O 3.25Å; L280-I321 WeakPolarHBondContact CD1-O 3.48Å; I281-I321 HydrophobicContact CD1-CD1 4.46Å; I281-I321 HydrophobicContact CG1-CD1 3.46Å; I281-I321 VanDerWaalsContact CG1-CD1 3.46Å; C284-I321 VanDerWaalsContact SG-CG2 3.56Å; F313-I321 HydrophobicContact CE2-CD1 4.11Å; L317-I321 HydrophobicContact CB-CD1 4.4Å; L317-I321 WeakPolarHBondContact O-CG1 3.32Å; L317-I321 PolarHBondContact O-N 3.21Å; G318-I321 PolarHBondContact O-N 3Å; I321-I544 HydrophobicContact CG2-CG2 4.47Å
322	L	97.3	Very high	97	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-14.1	-179.4	-58.4	172.2	0	0	0	112.1	W258 I277 F313 G318 V320 N324 I325 L326 Y331 F334	W258-L322 HydrophobicContact CH2-CD1 3.65Å; W258-L322 HydrophobicContact CZ3-CD1 3.71Å; W258-L322 HydrophobicContact CZ3-CD2 4.4Å; I277-L322 HydrophobicContact CD1-CD2 3.79Å; I277-L322 HydrophobicContact CG1-CD2 3.89Å; I277-L322 HydrophobicContact CG2-CD2 3.94Å; F313-L322 HydrophobicContact CE1-CD1 4.1Å; F313-L322 HydrophobicContact CZ-CD1 3.83Å; F313-L322 HydrophobicContact CZ-CD2 4.22Å; F313-L322 HydrophobicContact CZ-CG 4.32Å; G318-L322 WeakPolarHBondContact O-CB 3.43Å; G318-L322 WeakPolarHBondContact O-CD1 3.46Å; G318-L322 WeakPolarHBondContact O-CG 3.5Å; G318-L322 PolarHBondContact O-N 3.36Å; G318-L322 VanDerWaalsContact O-N 3.08Å; V320-L322 VanDerWaalsContact C-N 3.33Å; V320-L322 PolarHBondContact O-N 3.39Å; L322-N324 PolarHBondContact O-N 3.14Å; L322-I325 PolarHBondContact O-N 3.12Å; L322-L326 HydrophobicContact CB-CD1 3.91Å; L322-L326 HydrophobicContact CB-CG 4.09Å; L322-L326 HydrophobicContact CD1-CD1 3.74Å; L322-L326 HydrophobicContact CD2-CD1 4.02Å; L322-L326 HydrophobicContact CD2-CG 4.01Å; L322-L326 HydrophobicContact CG-CD1 4.09Å; L322-L326 HydrophobicContact CG-CG 4.44Å; L322-L326 PolarHBondContact O-N 3.38Å; L322-Y331 HydrophobicContact CB-CD2 3.81Å; L322-Y331 HydrophobicContact CB-CE2 3.97Å; L322-F334 HydrophobicContact CD1-CD1 3.7Å; L322-F334 HydrophobicContact CD1-CE1 3.59Å; L322-F334 HydrophobicContact CD1-CE2 4.47Å; L322-F334 HydrophobicContact CD1-CG 4.22Å; L322-F334 HydrophobicContact CD1-CZ 3.98Å
323	Q	95	Very high	97.1	Very high	70 Å²	70	31.3 Å²	31.3	33%	0.327	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	129.4	-179.8	-165.6	-179.3	32	0	0	110.3	V320 I325 Y331 Y507	V320-Q323 PolarHBondContact O-N 2.9Å; Q323-I325 PolarHBondContact O-N 2.79Å; Q323-I325 VanDerWaalsContact O-N 3.1Å; Q323-Y331 HydrophobicContact CB-CE1 4.24Å; Q323-Y331 HydrophobicContact CB-CE2 4.05Å; Q323-Y331 WeakPolarHBondContact CB-OH 3.23Å; Q323-Y331 HydrophobicContact CG-CE1 3.93Å; Q323-Y507 PolarHBondContact OE1-OH 3.1Å
324	N	93.7	Very high	97.1	Very high	146 Å²	146	31.3 Å²	31.3	78%	0.781	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	10.4	-175.8	-49.4	-43.9	0	0	0	114.8	L322	L322-N324 PolarHBondContact O-N 3.14Å
325	I	96.3	Very high	97.1	Very high	49 Å²	49	33.5 Å²	33.5	25%	0.251	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-48.8	176.7	-57.5	-55.9	0	0	0	110.8	V273 T276 I277 L280 L322 Q323	V273-I325 HydrophobicContact CG1-CG2 4.2Å; V273-I325 WeakPolarHBondContact CG1-O 3.3Å; T276-I325 HydrophobicContact CG2-CD1 3.75Å; T276-I325 HydrophobicContact CG2-CG1 4.36Å; T276-I325 HydrophobicContact CG2-CG2 4.04Å; I277-I325 HydrophobicContact CD1-CG2 4.38Å; I277-I325 HydrophobicContact CG1-CG2 3.64Å; L280-I325 HydrophobicContact CD1-CD1 4.36Å; L280-I325 HydrophobicContact CD1-CG1 3.83Å; L322-I325 PolarHBondContact O-N 3.12Å; Q323-I325 PolarHBondContact O-N 2.79Å; Q323-I325 VanDerWaalsContact O-N 3.1Å
326	L	97.3	Very high	97.1	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	18%	0.18	C	C	.	.	S	Bend	trans	-71.4	144.1	169.8	-82.1	-178.1	0	0	0	110	W258 M269 I277 L322 E328	W258-L326 HydrophobicContact CD2-CD1 4.09Å; W258-L326 HydrophobicContact CD2-CD2 4.19Å; W258-L326 HydrophobicContact CE3-CD1 4.12Å; W258-L326 HydrophobicContact CE3-CD2 4.38Å; W258-L326 HydrophobicContact CG-CD2 4.32Å; W258-L326 HydrophobicContact CH2-CD1 3.81Å; W258-L326 HydrophobicContact CZ2-CD1 3.77Å; W258-L326 HydrophobicContact CZ3-CD1 3.98Å; M269-L326 HydrophobicContact CE-CD2 3.9Å; M269-L326 HydrophobicContact SD-CD2 3.63Å; I277-L326 HydrophobicContact CD1-CD2 3.99Å; I277-L326 HydrophobicContact CD1-CG 4.41Å; L322-L326 HydrophobicContact CB-CD1 3.91Å; L322-L326 HydrophobicContact CB-CG 4.09Å; L322-L326 HydrophobicContact CD1-CD1 3.74Å; L322-L326 HydrophobicContact CD2-CD1 4.02Å; L322-L326 HydrophobicContact CD2-CG 4.01Å; L322-L326 HydrophobicContact CG-CD1 4.09Å; L322-L326 HydrophobicContact CG-CG 4.44Å; L322-L326 PolarHBondContact O-N 3.38Å; L326-E328 PolarHBondContact O-N 3.22Å
327	P	97.3	Very high	97.1	Very high	19 Å²	19	34.6 Å²	34.6	12%	0.123	18%	0.18	C	C	.	.			trans	-49	137.1	166.4	-26.5	34.6	0	0	0	110.8	K267 N268 M269 S329 L330 Y331	K267-P327 WeakPolarHBondContact O-CB 3.37Å; K267-P327 WeakPolarHBondContact O-CG 3.11Å; N268-P327 HydrophobicContact CB-CB 4.33Å; N268-P327 HydrophobicContact CB-CG 4.05Å; M269-P327 HydrophobicContact CG-CG 4.01Å; M269-P327 WeakPolarHBondContact SD-CD 3.33Å; M269-P327 HydrophobicContact SD-CG 3.72Å; P327-S329 VanDerWaalsContact C-N 3.35Å; P327-S329 PolarHBondContact O-N 3Å; P327-L330 HydrophobicContact CB-CD1 4.3Å; P327-L330 HydrophobicContact CB-CG 4.27Å; P327-L330 HydrophobicContact CG-CD1 4.13Å; P327-L330 WeakPolarHBondContact O-CA 3.34Å; P327-L330 WeakPolarHBondContact O-CB 3.17Å; P327-L330 PolarHBondContact O-N 3.26Å; P327-Y331 PolarHBondContact O-N 3.1Å
328	E	97	Very high	97.2	Very high	154 Å²	154	34.7 Å²	34.7	72%	0.72	18%	0.18	S	C	*	.	H	α-helix	trans	-50.7	-48.6	-165.5	-178.3	172.6	-155.1	0	0	113.7	L326 L330 Y331 I332	L326-E328 PolarHBondContact O-N 3.22Å; E328-L330 VanDerWaalsContact C-N 3.35Å; E328-L330 PolarHBondContact O-N 3.26Å; E328-Y331 PolarHBondContact O-N 2.83Å; E328-Y331 VanDerWaalsContact O-N 3.16Å; E328-I332 HydrophobicContact CG-CD1 3.79Å; E328-I332 HydrophobicContact CG-CG1 4.42Å; E328-I332 WeakPolarHBondContact O-CG1 3.25Å; E328-I332 PolarHBondContact O-N 3.01Å
329	S	97	Very high	97.2	Very high	37 Å²	37	35.5 Å²	35.5	26%	0.259	19%	0.185	S	C	.	.	H	α-helix	trans	-63.5	-37.2	179.5	53.7	0	0	0	0	113.7	P327 N333 W370	P327-S329 VanDerWaalsContact C-N 3.35Å; P327-S329 PolarHBondContact O-N 3Å; S329-N333 WeakPolarHBondContact O-CB 3.4Å; S329-N333 PolarHBondContact O-N 3.08Å; S329-W370 VanDerWaalsContact CB-CZ3 3.43Å; S329-W370 WeakPolarHBondContact OG-CZ3 3.27Å
330	L	98.5	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.7	-38.7	175.2	-54.8	-173.1	0	0	0	110.9	L261 M269 P327 E328 F334 C371 Y372	L261-L330 HydrophobicContact CD1-CD1 4.06Å; M269-L330 HydrophobicContact CG-CD1 3.69Å; M269-L330 HydrophobicContact SD-CD1 3.97Å; P327-L330 HydrophobicContact CB-CD1 4.3Å; P327-L330 HydrophobicContact CB-CG 4.27Å; P327-L330 HydrophobicContact CG-CD1 4.13Å; P327-L330 WeakPolarHBondContact O-CA 3.34Å; P327-L330 WeakPolarHBondContact O-CB 3.17Å; P327-L330 PolarHBondContact O-N 3.26Å; E328-L330 VanDerWaalsContact C-N 3.35Å; E328-L330 PolarHBondContact O-N 3.26Å; L330-F334 WeakPolarHBondContact O-CB 3.49Å; L330-F334 PolarHBondContact O-N 3.11Å; L330-C371 HydrophobicContact CD2-CB 3.76Å; L330-Y372 HydrophobicContact CD2-CE1 3.73Å
331	Y	98.4	Very high	97.4	Very high	26 Å²	26	33.8 Å²	33.8	10%	0.102	17%	0.174	C	C	.	.	H	α-helix	trans	-68.2	-44	176.9	-178.9	-108.5	0	0	0	112.1	P319 L322 Q323 P327 E328 N333 F334 K335	P319-Y331 PolarHBondContact O-OH 3.13Å; L322-Y331 HydrophobicContact CB-CD2 3.81Å; L322-Y331 HydrophobicContact CB-CE2 3.97Å; Q323-Y331 HydrophobicContact CB-CE1 4.24Å; Q323-Y331 HydrophobicContact CB-CE2 4.05Å; Q323-Y331 WeakPolarHBondContact CB-OH 3.23Å; Q323-Y331 HydrophobicContact CG-CE1 3.93Å; P327-Y331 PolarHBondContact O-N 3.1Å; E328-Y331 PolarHBondContact O-N 2.83Å; E328-Y331 VanDerWaalsContact O-N 3.16Å; Y331-N333 PolarHBondContact O-N 2.62Å; Y331-F334 PolarHBondContact O-N 3.18Å; Y331-K335 HydrophobicContact CE1-CD 4.31Å; Y331-K335 VanDerWaalsContact O-CB 3.23Å; Y331-K335 WeakPolarHBondContact O-CB 3.14Å; Y331-K335 PolarHBondContact O-N 2.93Å
332	I	97.5	Very high	97.5	Very high	95 Å²	95	33.7 Å²	33.7	49%	0.487	17%	0.173	S	C	.	.	H	α-helix	trans	-60.2	-47.3	176.6	-70.5	169.5	0	0	0	110.1	E328 F334 K335 C336	E328-I332 HydrophobicContact CG-CD1 3.79Å; E328-I332 HydrophobicContact CG-CG1 4.42Å; E328-I332 WeakPolarHBondContact O-CG1 3.25Å; E328-I332 PolarHBondContact O-N 3.01Å; I332-F334 PolarHBondContact O-N 3.32Å; I332-K335 PolarHBondContact O-N 3.2Å; I332-C336 WeakPolarHBondContact O-CB 3.48Å; I332-C336 PolarHBondContact O-N 2.86Å
333	N	98.5	Very high	97.5	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-46.5	176.2	-179.3	-100.7	0	0	0	111.7	S329 Y331 C336 L337 F364 Y368 Y372	S329-N333 WeakPolarHBondContact O-CB 3.4Å; S329-N333 PolarHBondContact O-N 3.08Å; Y331-N333 PolarHBondContact O-N 2.62Å; N333-C336 WeakPolarHBondContact O-CB 3.23Å; N333-C336 PolarHBondContact O-N 3.15Å; N333-L337 PolarHBondContact O-N 3.31Å; N333-F364 VanDerWaalsContact ND2-CD2 3.31Å; N333-F364 WeakPolarHBondContact ND2-CD2 3.35Å; N333-F364 PolarHBondContact ND2-O 3.01Å; N333-F364 WeakPolarHBondContact O-CD2 3.35Å; N333-F364 WeakPolarHBondContact O-CE2 3.47Å; N333-F364 WeakPolarHBondContact OD1-CE2 3.33Å; N333-Y368 PolarHBondContact ND2-N 2.98Å; N333-Y372 WeakPolarHBondContact OD1-CE2 3.48Å
334	F	98.7	Very high	97.6	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-43.7	176.2	174.5	-98.9	0	0	0	113.1	L254 W258 F313 L314 G318 P319 L322 L330 Y331 I332 C336 L337 A338	L254-F334 HydrophobicContact CD1-CD2 4.22Å; W258-F334 HydrophobicContact CH2-CB 4.23Å; W258-F334 AromaticContact CH2-CD2 3.42Å; W258-F334 HydrophobicContact CH2-CD2 3.42Å; W258-F334 VanDerWaalsContact CH2-CD2 3.42Å; W258-F334 AromaticContact CH2-CE2 3.86Å; W258-F334 HydrophobicContact CH2-CE2 3.86Å; W258-F334 AromaticContact CH2-CG 3.77Å; W258-F334 HydrophobicContact CH2-CG 3.77Å; W258-F334 HydrophobicContact CZ2-CB 3.89Å; W258-F334 AromaticContact CZ2-CD2 3.72Å; W258-F334 HydrophobicContact CZ2-CD2 3.72Å; W258-F334 AromaticContact CZ2-CG 3.93Å; W258-F334 HydrophobicContact CZ2-CG 3.93Å; F313-F334 HydrophobicContact CD1-CZ 4.43Å; F313-F334 HydrophobicContact CE1-CE2 4.2Å; F313-F334 HydrophobicContact CE1-CZ 4.14Å; L314-F334 HydrophobicContact CD1-CE2 3.69Å; L314-F334 HydrophobicContact CD1-CZ 4.07Å; G318-F334 VanDerWaalsContact C-CE1 3.48Å; P319-F334 HydrophobicContact CG-CE1 4.06Å; L322-F334 HydrophobicContact CD1-CD1 3.7Å; L322-F334 HydrophobicContact CD1-CE1 3.59Å; L322-F334 HydrophobicContact CD1-CE2 4.47Å; L322-F334 HydrophobicContact CD1-CG 4.22Å; L322-F334 HydrophobicContact CD1-CZ 3.98Å; L330-F334 WeakPolarHBondContact O-CB 3.49Å; L330-F334 PolarHBondContact O-N 3.11Å; Y331-F334 PolarHBondContact O-N 3.18Å; I332-F334 PolarHBondContact O-N 3.32Å; F334-C336 VanDerWaalsContact C-N 3.28Å; F334-C336 PolarHBondContact O-N 2.89Å; F334-L337 PolarHBondContact O-N 3.05Å; F334-A338 HydrophobicContact CE1-CB 4.07Å; F334-A338 HydrophobicContact CZ-CB 4.17Å; F334-A338 WeakPolarHBondContact O-CB 3.37Å; F334-A338 PolarHBondContact O-N 3.07Å
335	K	98	Very high	97.8	Very high	46 Å²	46	23.7 Å²	23.7	20%	0.2	12%	0.123	C	C	.	.	H	α-helix	trans	-59.7	-41.1	179.2	-177.2	-171.3	170.8	-159	0	110.5	Y331 I332 A338 L339 D510	Y331-K335 HydrophobicContact CE1-CD 4.31Å; Y331-K335 VanDerWaalsContact O-CB 3.23Å; Y331-K335 WeakPolarHBondContact O-CB 3.14Å; Y331-K335 PolarHBondContact O-N 2.93Å; I332-K335 PolarHBondContact O-N 3.2Å; K335-A338 PolarHBondContact O-N 3.11Å; K335-L339 VanDerWaalsContact O-CB 3.31Å; K335-L339 WeakPolarHBondContact O-CB 3.4Å; K335-L339 PolarHBondContact O-N 3.25Å; K335-D510 PolarHBondContact NZ-O 2.95Å
336	C	98	Very high	97.8	Very high	29 Å²	29	21.7 Å²	21.7	20%	0.196	11%	0.112	C	C	.	.	H	α-helix	trans	-57	-54.4	174.9	-177.5	0	0	0	0	111	I332 N333 F334 A338 L339 S340 D360	I332-C336 WeakPolarHBondContact O-CB 3.48Å; I332-C336 PolarHBondContact O-N 2.86Å; N333-C336 WeakPolarHBondContact O-CB 3.23Å; N333-C336 PolarHBondContact O-N 3.15Å; F334-C336 VanDerWaalsContact C-N 3.28Å; F334-C336 PolarHBondContact O-N 2.89Å; C336-A338 PolarHBondContact O-N 3.15Å; C336-L339 PolarHBondContact O-N 2.89Å; C336-S340 WeakPolarHBondContact O-CB 3.49Å; C336-S340 PolarHBondContact O-N 2.82Å; C336-S340 PolarHBondContact O-OG 2.84Å; C336-D360 PolarHBondContact SG-O 3.21Å
337	L	98.6	Very high	97.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.8	-48.4	176	177.5	68.3	0	0	0	112.2	V250 L254 L314 N333 F334 L339 S340 M341 L361 F364 L384	V250-L337 HydrophobicContact CG1-CD1 4.48Å; V250-L337 HydrophobicContact CG1-CD2 3.52Å; L254-L337 HydrophobicContact CD1-CD2 3.49Å; L254-L337 VanDerWaalsContact CD1-CD2 3.49Å; L314-L337 HydrophobicContact CD1-CD2 4Å; L314-L337 HydrophobicContact CD1-CG 4.12Å; N333-L337 PolarHBondContact O-N 3.31Å; F334-L337 PolarHBondContact O-N 3.05Å; L337-L339 PolarHBondContact O-N 2.82Å; L337-S340 PolarHBondContact O-N 3.5Å; L337-M341 HydrophobicContact CD1-CE 4.21Å; L337-M341 HydrophobicContact CD1-CG 3.86Å; L337-M341 HydrophobicContact CD1-SD 4.49Å; L337-M341 HydrophobicContact CG-CG 4.25Å; L337-M341 WeakPolarHBondContact O-CB 3.33Å; L337-M341 VanDerWaalsContact O-CG 3.24Å; L337-M341 WeakPolarHBondContact O-CG 3.38Å; L337-M341 PolarHBondContact O-N 3.1Å; L337-L361 HydrophobicContact CD1-CD2 4.48Å; L337-F364 HydrophobicContact CB-CD2 3.78Å; L337-F364 HydrophobicContact CB-CE2 3.56Å; L337-F364 HydrophobicContact CB-CG 4.47Å; L337-F364 HydrophobicContact CB-CZ 4.09Å; L337-F364 HydrophobicContact CD1-CE1 4.48Å; L337-F364 HydrophobicContact CD1-CZ 4.41Å; L337-F364 HydrophobicContact CD2-CE2 4.25Å; L337-F364 HydrophobicContact CD2-CZ 4.05Å; L337-F364 HydrophobicContact CG-CE2 4.36Å; L337-F364 HydrophobicContact CG-CZ 4.42Å; L337-L384 HydrophobicContact CD1-CD1 3.88Å; L337-L384 HydrophobicContact CD1-CD2 3.74Å; L337-L384 HydrophobicContact CD1-CG 4.5Å
338	A	98.6	Very high	97.4	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-43.8	-175.8	0	0	0	0	0	112	L314 P319 F334 K335 C336 M341 Y342	L314-A338 HydrophobicContact CD1-CB 3.99Å; L314-A338 WeakPolarHBondContact O-CB 3.48Å; P319-A338 HydrophobicContact CG-CB 3.56Å; F334-A338 HydrophobicContact CE1-CB 4.07Å; F334-A338 HydrophobicContact CZ-CB 4.17Å; F334-A338 WeakPolarHBondContact O-CB 3.37Å; F334-A338 PolarHBondContact O-N 3.07Å; K335-A338 PolarHBondContact O-N 3.11Å; C336-A338 PolarHBondContact O-N 3.15Å; A338-M341 PolarHBondContact O-N 2.93Å; A338-Y342 VanDerWaalsContact O-CB 3.31Å; A338-Y342 WeakPolarHBondContact O-CB 3.38Å; A338-Y342 PolarHBondContact O-N 3.09Å
339	L	97.3	Very high	97.2	Very high	17 Å²	17	21.6 Å²	21.6	9%	0.089	11%	0.112	C	C	.	.	H	α-helix	trans	-68.2	-44.5	178.2	-174.8	60.6	0	0	0	111.5	K335 C336 L337 M341 Y342 L343 F508 P511 F512 I517	K335-L339 VanDerWaalsContact O-CB 3.31Å; K335-L339 WeakPolarHBondContact O-CB 3.4Å; K335-L339 PolarHBondContact O-N 3.25Å; C336-L339 PolarHBondContact O-N 2.89Å; L337-L339 PolarHBondContact O-N 2.82Å; L339-M341 VanDerWaalsContact C-N 3.34Å; L339-M341 PolarHBondContact O-N 3.37Å; L339-Y342 PolarHBondContact O-N 2.89Å; L339-L343 HydrophobicContact CD1-CD1 4.43Å; L339-L343 HydrophobicContact CD1-CG 4.45Å; L339-L343 HydrophobicContact CG-CD1 4.12Å; L339-L343 WeakPolarHBondContact O-CG 3.36Å; L339-L343 PolarHBondContact O-N 2.82Å; L339-F508 HydrophobicContact CD1-CE2 4.44Å; L339-F508 HydrophobicContact CD1-CZ 3.86Å; L339-F508 HydrophobicContact CD2-CE2 4.4Å; L339-P511 HydrophobicContact CD2-CG 3.62Å; L339-F512 HydrophobicContact CD1-CZ 4.03Å; L339-F512 HydrophobicContact CD2-CE1 4.21Å; L339-F512 HydrophobicContact CD2-CZ 4.23Å; L339-F512 HydrophobicContact CG-CZ 4.44Å; L339-I517 HydrophobicContact CD1-CD1 4.04Å
340	S	98.1	Very high	97.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58	-47	174.9	-60	0	0	0	0	111.2	C336 L337 Y342 L343 L344 D360	C336-S340 WeakPolarHBondContact O-CB 3.49Å; C336-S340 PolarHBondContact O-N 2.82Å; C336-S340 PolarHBondContact O-OG 2.84Å; L337-S340 PolarHBondContact O-N 3.5Å; S340-Y342 PolarHBondContact O-N 3.3Å; S340-L343 PolarHBondContact O-N 3.18Å; S340-L344 VanDerWaalsContact O-CG 3.32Å; S340-L344 WeakPolarHBondContact O-CG 3.34Å; S340-L344 PolarHBondContact O-N 2.77Å; S340-D360 WeakPolarHBondContact OG-CB 3.49Å
341	M	98.3	Very high	96.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.9	-34.7	178.9	-65.3	-57.2	106.5	0	0	112.5	V246 L314 L315 L337 A338 L339 L344 A345 L361 L384 L387 L397	V246-M341 HydrophobicContact CB-SD 4.45Å; V246-M341 HydrophobicContact CG1-CG 3.77Å; V246-M341 HydrophobicContact CG1-SD 3.7Å; V246-M341 HydrophobicContact CG2-SD 3.84Å; L314-M341 HydrophobicContact CD2-CB 3.91Å; L314-M341 HydrophobicContact CD2-CG 3.86Å; L315-M341 HydrophobicContact CD2-CB 3.84Å; L337-M341 HydrophobicContact CD1-CE 4.21Å; L337-M341 HydrophobicContact CD1-CG 3.86Å; L337-M341 HydrophobicContact CD1-SD 4.49Å; L337-M341 HydrophobicContact CG-CG 4.25Å; L337-M341 WeakPolarHBondContact O-CB 3.33Å; L337-M341 VanDerWaalsContact O-CG 3.24Å; L337-M341 WeakPolarHBondContact O-CG 3.38Å; L337-M341 PolarHBondContact O-N 3.1Å; A338-M341 PolarHBondContact O-N 2.93Å; L339-M341 VanDerWaalsContact C-N 3.34Å; L339-M341 PolarHBondContact O-N 3.37Å; M341-L344 HydrophobicContact CE-CD1 3.81Å; M341-A345 VanDerWaalsContact O-CB 3.24Å; M341-A345 WeakPolarHBondContact O-CB 3.34Å; M341-A345 PolarHBondContact O-N 3.31Å; M341-L361 HydrophobicContact CE-CD1 4.04Å; M341-L361 HydrophobicContact CE-CD2 3.64Å; M341-L361 HydrophobicContact CE-CG 4.45Å; M341-L384 HydrophobicContact CE-CD2 4.1Å; M341-L384 HydrophobicContact SD-CD2 4.36Å; M341-L387 HydrophobicContact CE-CD2 3.99Å; M341-L387 HydrophobicContact SD-CD2 3.71Å; M341-L397 HydrophobicContact CB-CD1 4.21Å; M341-L397 WeakPolarHBondContact O-CD1 3.44Å; M341-L397 HydrophobicContact SD-CD1 3.8Å
342	Y	98.1	Very high	96.5	Very high	6 Å²	6	32.8 Å²	32.8	2%	0.024	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-45.6	173.7	-173.5	-86	0	0	0	111.2	L315 A338 L339 S340 A345 H346 I517 I519 V553 P554 L556	L315-Y342 HydrophobicContact CB-CD2 4.47Å; A338-Y342 VanDerWaalsContact O-CB 3.31Å; A338-Y342 WeakPolarHBondContact O-CB 3.38Å; A338-Y342 PolarHBondContact O-N 3.09Å; L339-Y342 PolarHBondContact O-N 2.89Å; S340-Y342 PolarHBondContact O-N 3.3Å; Y342-A345 PolarHBondContact O-N 3.44Å; Y342-H346 AromaticContact CE1-CD2 3.96Å; Y342-H346 WeakPolarHBondContact O-CB 3.42Å; Y342-H346 PolarHBondContact O-N 3.28Å; Y342-I517 HydrophobicContact CD1-CD1 3.99Å; Y342-I517 HydrophobicContact CE1-CB 4.49Å; Y342-I517 HydrophobicContact CE1-CD1 3.86Å; Y342-I519 HydrophobicContact CE1-CD1 4.15Å; Y342-I519 HydrophobicContact CE2-CD1 4.43Å; Y342-V553 HydrophobicContact CE2-CG1 3.73Å; Y342-P554 WeakPolarHBondContact OH-CD 3.32Å; Y342-P554 PolarHBondContact OH-O 2.98Å; Y342-L556 HydrophobicContact CD1-CD2 4.49Å; Y342-L556 HydrophobicContact CD2-CD1 4.18Å; Y342-L556 HydrophobicContact CD2-CD2 4.33Å; Y342-L556 HydrophobicContact CD2-CG 4.47Å; Y342-L556 HydrophobicContact CE1-CD2 3.94Å; Y342-L556 HydrophobicContact CE2-CD1 4.24Å; Y342-L556 HydrophobicContact CE2-CD2 3.75Å; Y342-L556 HydrophobicContact CE2-CG 4.02Å
343	L	97.3	Very high	95.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-45	177.7	-70.1	167.8	0	0	0	112.2	L339 S340 A345 H346 F349 Y350 V353 V357 F512 I517	L339-L343 HydrophobicContact CD1-CD1 4.43Å; L339-L343 HydrophobicContact CD1-CG 4.45Å; L339-L343 HydrophobicContact CG-CD1 4.12Å; L339-L343 WeakPolarHBondContact O-CG 3.36Å; L339-L343 PolarHBondContact O-N 2.82Å; S340-L343 PolarHBondContact O-N 3.18Å; L343-A345 VanDerWaalsContact C-N 3.27Å; L343-A345 PolarHBondContact O-N 3.35Å; L343-H346 WeakPolarHBondContact O-CB 3.46Å; L343-H346 PolarHBondContact O-N 2.87Å; L343-H346 VanDerWaalsContact O-N 3.11Å; L343-F349 HydrophobicContact CD2-CB 4.18Å; L343-Y350 VanDerWaalsContact O-CA 3.32Å; L343-Y350 WeakPolarHBondContact O-CA 3.28Å; L343-Y350 PolarHBondContact O-N 2.86Å; L343-V353 HydrophobicContact CB-CG2 4.09Å; L343-V353 HydrophobicContact CD1-CG2 4.12Å; L343-V353 HydrophobicContact CD2-CG2 4.23Å; L343-V353 HydrophobicContact CG-CG2 4.38Å; L343-V357 HydrophobicContact CB-CG2 4.25Å; L343-V357 HydrophobicContact CD1-CG2 4.08Å; L343-F512 HydrophobicContact CD1-CE1 4Å; L343-F512 HydrophobicContact CD1-CZ 4.02Å; L343-F512 HydrophobicContact CD2-CZ 4Å; L343-F512 HydrophobicContact CG-CZ 4.45Å; L343-I517 HydrophobicContact CD2-CG2 3.98Å
344	L	97.7	Very high	95.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.3	-25.4	176.8	-66.8	-176.4	0	0	0	113.3	S340 M341 Y350 V357 L361 L387 L388 V391 P396 L397	S340-L344 VanDerWaalsContact O-CG 3.32Å; S340-L344 WeakPolarHBondContact O-CG 3.34Å; S340-L344 PolarHBondContact O-N 2.77Å; M341-L344 HydrophobicContact CE-CD1 3.81Å; L344-Y350 WeakPolarHBondContact O-CB 3.45Å; L344-V357 HydrophobicContact CD1-CG1 3.94Å; L344-V357 HydrophobicContact CD2-CB 4.49Å; L344-V357 HydrophobicContact CD2-CG1 3.83Å; L344-V357 HydrophobicContact CG-CG1 3.86Å; L344-L361 HydrophobicContact CD1-CD1 4.33Å; L344-L387 HydrophobicContact CD1-CD2 4.49Å; L344-L388 HydrophobicContact CD2-CD1 3.68Å; L344-V391 HydrophobicContact CB-CG1 4.45Å; L344-V391 HydrophobicContact CB-CG2 4.23Å; L344-V391 HydrophobicContact CD1-CG2 4.32Å; L344-V391 HydrophobicContact CD2-CB 4.36Å; L344-V391 HydrophobicContact CD2-CG1 3.92Å; L344-V391 HydrophobicContact CD2-CG2 4.39Å; L344-P396 VanDerWaalsContact O-CA 3.27Å; L344-P396 WeakPolarHBondContact O-CA 3.5Å; L344-L397 HydrophobicContact CB-CD1 3.93Å; L344-L397 HydrophobicContact CB-CD2 4.14Å; L344-L397 HydrophobicContact CB-CG 3.77Å; L344-L397 PolarHBondContact O-N 2.94Å
345	A	97.2	Very high	95	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-85.9	-12.5	173.3	0	0	0	0	0	113	L315 M341 Y342 L343 L397 L556	L315-A345 HydrophobicContact CD1-CB 4.45Å; M341-A345 VanDerWaalsContact O-CB 3.24Å; M341-A345 WeakPolarHBondContact O-CB 3.34Å; M341-A345 PolarHBondContact O-N 3.31Å; Y342-A345 PolarHBondContact O-N 3.44Å; L343-A345 VanDerWaalsContact C-N 3.27Å; L343-A345 PolarHBondContact O-N 3.35Å; A345-L397 HydrophobicContact CB-CB 4.17Å; A345-L397 HydrophobicContact CB-CD1 4.17Å; A345-L397 HydrophobicContact CB-CG 4.39Å; A345-L556 HydrophobicContact CB-CD1 3.5Å
346	H	96.5	Very high	94.7	Very high	6 Å²	6	37 Å²	37	3%	0.028	18%	0.183	C	C	.	.			trans	-81.3	123.2	-173.4	-168.3	-69	0	0	0	111.8	Y342 L343 K348 F349 Y350 L556	Y342-H346 AromaticContact CE1-CD2 3.96Å; Y342-H346 WeakPolarHBondContact O-CB 3.42Å; Y342-H346 PolarHBondContact O-N 3.28Å; L343-H346 WeakPolarHBondContact O-CB 3.46Å; L343-H346 PolarHBondContact O-N 2.87Å; L343-H346 VanDerWaalsContact O-N 3.11Å; H346-K348 PolarHBondContact ND1-N 3.09Å; H346-K348 VanDerWaalsContact ND1-N 3.15Å; H346-K348 PolarHBondContact O-N 3.26Å; H346-K348 VanDerWaalsContact O-N 3.08Å; H346-F349 HydrophobicContact CB-CB 4.17Å; H346-F349 HydrophobicContact CB-CD2 4.3Å; H346-F349 AromaticContact CD2-CD2 3.89Å; H346-F349 AromaticContact CE1-CD2 3.38Å; H346-F349 WeakPolarHBondContact CE1-CD2 3.49Å; H346-F349 AromaticContact CE1-CE2 3.61Å; H346-F349 AromaticContact CG-CD2 3.58Å; H346-F349 AromaticContact ND1-CD2 3.24Å; H346-F349 WeakPolarHBondContact ND1-CD2 3.38Å; H346-F349 AromaticContact ND1-CE2 3.96Å; H346-F349 AromaticContact NE2-CD2 3.78Å; H346-F349 AromaticContact NE2-CE2 3.89Å; H346-F349 PolarHBondContact O-N 3.46Å; H346-Y350 PolarHBondContact O-N 3.38Å; H346-L556 HydrophobicContact CB-CD2 3.99Å; H346-L556 VanDerWaalsContact CD2-CD2 3.49Å; H346-L556 WeakPolarHBondContact CD2-CD2 3.38Å
347	P	93.4	Very high	94.6	Very high	43 Å²	43	35.6 Å²	35.6	28%	0.279	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.3	-171.7	21.1	-32.2	0	0	0	114	Y350 V559	P347-Y350 WeakPolarHBondContact O-CD1 3.37Å; P347-Y350 WeakPolarHBondContact O-CE1 3.18Å; P347-V559 HydrophobicContact CG-CB 3.83Å; P347-V559 HydrophobicContact CG-CG1 4.01Å; P347-V559 WeakPolarHBondContact CG-O 2.96Å
348	K	92.9	Very high	94.4	Very high	91 Å²	91	38.4 Å²	38.4	40%	0.396	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-24.6	175.7	-67	171.8	145.7	152.4	0	116.2	H346 R352 V559 I560	H346-K348 PolarHBondContact ND1-N 3.09Å; H346-K348 VanDerWaalsContact ND1-N 3.15Å; H346-K348 PolarHBondContact O-N 3.26Å; H346-K348 VanDerWaalsContact O-N 3.08Å; K348-R352 WeakPolarHBondContact O-CD 3.02Å; K348-R352 WeakPolarHBondContact O-CG 3.39Å; K348-R352 PolarHBondContact O-NE 3.36Å; K348-R352 VanDerWaalsContact O-NE 3.08Å; K348-V559 HydrophobicContact CD-CG1 4.28Å; K348-I560 VanDerWaalsContact CD-O 3.25Å; K348-I560 WeakPolarHBondContact CD-O 3.37Å; K348-I560 VanDerWaalsContact CE-C 3.48Å; K348-I560 WeakPolarHBondContact CE-O 3.36Å; K348-I560 WeakPolarHBondContact CE-OXT 3.42Å; K348-I560 WeakPolarHBondContact CG-OXT 3.29Å; K348-I560 PolarHBondContact NZ-O 2.86Å
349	F	93.7	Very high	94.2	Very high	45 Å²	45	43.2 Å²	43.2	20%	0.197	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-18.6	-166.9	-68.3	-69.8	0	0	0	113.8	L343 H346 N351 R352 V353 D516 I517	L343-F349 HydrophobicContact CD2-CB 4.18Å; H346-F349 HydrophobicContact CB-CB 4.17Å; H346-F349 HydrophobicContact CB-CD2 4.3Å; H346-F349 AromaticContact CD2-CD2 3.89Å; H346-F349 AromaticContact CE1-CD2 3.38Å; H346-F349 WeakPolarHBondContact CE1-CD2 3.49Å; H346-F349 AromaticContact CE1-CE2 3.61Å; H346-F349 AromaticContact CG-CD2 3.58Å; H346-F349 AromaticContact ND1-CD2 3.24Å; H346-F349 WeakPolarHBondContact ND1-CD2 3.38Å; H346-F349 AromaticContact ND1-CE2 3.96Å; H346-F349 AromaticContact NE2-CD2 3.78Å; H346-F349 AromaticContact NE2-CE2 3.89Å; H346-F349 PolarHBondContact O-N 3.46Å; F349-N351 PolarHBondContact O-N 3.46Å; F349-R352 PolarHBondContact O-N 3.18Å; F349-V353 WeakPolarHBondContact O-CG2 3.33Å; F349-D516 WeakPolarHBondContact CZ-O 2.83Å; F349-I517 HydrophobicContact CD2-CG2 3.97Å; F349-I517 HydrophobicContact CE2-CB 4.2Å; F349-I517 HydrophobicContact CE2-CG2 3.76Å; F349-I517 HydrophobicContact CZ-CG2 4.11Å
350	Y	94.6	Very high	94.1	Very high	51 Å²	51	44 Å²	44	20%	0.2	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-33.2	-174.1	79.5	-83.3	0	0	0	114.3	L343 L344 H346 P347 V391 P396	L343-Y350 VanDerWaalsContact O-CA 3.32Å; L343-Y350 WeakPolarHBondContact O-CA 3.28Å; L343-Y350 PolarHBondContact O-N 2.86Å; L344-Y350 WeakPolarHBondContact O-CB 3.45Å; H346-Y350 PolarHBondContact O-N 3.38Å; P347-Y350 WeakPolarHBondContact O-CD1 3.37Å; P347-Y350 WeakPolarHBondContact O-CE1 3.18Å; Y350-V391 HydrophobicContact CD2-CG1 3.55Å; Y350-V391 HydrophobicContact CG-CG1 4.2Å; Y350-P396 HydrophobicContact CD1-CB 4.49Å; Y350-P396 HydrophobicContact CD1-CG 3.62Å; Y350-P396 HydrophobicContact CD2-CG 4.45Å; Y350-P396 HydrophobicContact CE1-CG 3.97Å; Y350-P396 HydrophobicContact CG-CB 4.34Å; Y350-P396 HydrophobicContact CG-CG 3.88Å
351	N	92.6	Very high	94.1	Very high	73 Å²	73	44 Å²	44	39%	0.39	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	7.4	-179.7	64.2	-1.6	0	0	0	114.7	F349 L392	F349-N351 PolarHBondContact O-N 3.46Å; N351-L392 HydrophobicContact CB-CD2 4.08Å
352	R	91.5	Very high	93.9	Very high	174 Å²	174	48.6 Å²	48.6	66%	0.657	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-25.7	-178.1	-63.4	-171.3	-177	177.4	-0	114.1	K348 F349	K348-R352 WeakPolarHBondContact O-CD 3.02Å; K348-R352 WeakPolarHBondContact O-CG 3.39Å; K348-R352 PolarHBondContact O-NE 3.36Å; K348-R352 VanDerWaalsContact O-NE 3.08Å; F349-R352 PolarHBondContact O-N 3.18Å
353	V	85.1	Confident	93.8	Very high	42 Å²	42	51.6 Å²	51.6	26%	0.255	25%	0.246	S	C	.	.	S	Bend	trans	-116.1	35.7	-174.5	-66.1	0	0	0	0	112.2	L343 F349 S356 V357	L343-V353 HydrophobicContact CB-CG2 4.09Å; L343-V353 HydrophobicContact CD1-CG2 4.12Å; L343-V353 HydrophobicContact CD2-CG2 4.23Å; L343-V353 HydrophobicContact CG-CG2 4.38Å; F349-V353 WeakPolarHBondContact O-CG2 3.33Å; V353-S356 PolarHBondContact O-N 2.92Å; V353-V357 HydrophobicContact CG2-CG2 3.9Å; V353-V357 WeakPolarHBondContact O-CG2 3.15Å; V353-V357 PolarHBondContact O-N 2.63Å
354	T	87.5	Confident	93.9	Very high	38 Å²	38	51.5 Å²	51.5	23%	0.233	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-51.5	-165.6	57.2	0	0	0	0	113.1	S356 V357 R358 L388 L392	T354-S356 PolarHBondContact O-N 2.99Å; T354-V357 PolarHBondContact O-N 2.94Å; T354-R358 WeakPolarHBondContact O-CB 3.21Å; T354-R358 PolarHBondContact O-N 3.38Å; T354-L388 HydrophobicContact CG2-CD1 4.29Å; T354-L388 WeakPolarHBondContact O-CD2 3.47Å; T354-L392 HydrophobicContact CG2-CD1 4.41Å; T354-L392 HydrophobicContact CG2-CD2 3.68Å
355	E	89.8	Confident	93.9	Very high	97 Å²	97	51.8 Å²	51.8	45%	0.453	25%	0.247	S	C	.	.	H	α-helix	trans	-68	-38.9	-177.3	-167.5	55.1	-146.8	0	0	112.1	V357 R358 M359	E355-V357 PolarHBondContact O-N 2.97Å; E355-R358 WeakPolarHBondContact O-CB 3.17Å; E355-R358 PolarHBondContact O-N 3.33Å; E355-R358 IonicContact OE2-CZ 3.91Å; E355-R358 IonicContact OE2-NH1 3.18Å; E355-R358 PolarHBondContact OE2-NH1 3.06Å; E355-M359 WeakPolarHBondContact O-CG 3.21Å; E355-M359 PolarHBondContact O-N 3.2Å
356	S	91.8	Very high	93.9	Very high	55 Å²	55	58.6 Å²	58.6	39%	0.385	27%	0.272	S	S	.	.	H	α-helix	trans	-58.1	-50.4	173.5	-171.5	0	0	0	0	110.8	V353 T354 R358 M359 D360	V353-S356 PolarHBondContact O-N 2.92Å; T354-S356 PolarHBondContact O-N 2.99Å; S356-R358 VanDerWaalsContact C-N 3.3Å; S356-R358 PolarHBondContact O-N 3.23Å; S356-M359 PolarHBondContact O-N 3Å; S356-D360 WeakPolarHBondContact O-CB 2.99Å; S356-D360 PolarHBondContact O-N 3.38Å
357	V	95.5	Very high	94	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-36.1	179.8	172.5	0	0	0	0	111.7	L343 L344 V353 T354 E355 D360 L361	L343-V357 HydrophobicContact CB-CG2 4.25Å; L343-V357 HydrophobicContact CD1-CG2 4.08Å; L344-V357 HydrophobicContact CD1-CG1 3.94Å; L344-V357 HydrophobicContact CD2-CB 4.49Å; L344-V357 HydrophobicContact CD2-CG1 3.83Å; L344-V357 HydrophobicContact CG-CG1 3.86Å; V353-V357 HydrophobicContact CG2-CG2 3.9Å; V353-V357 WeakPolarHBondContact O-CG2 3.15Å; V353-V357 PolarHBondContact O-N 2.63Å; T354-V357 PolarHBondContact O-N 2.94Å; E355-V357 PolarHBondContact O-N 2.97Å; V357-D360 PolarHBondContact O-N 3.41Å; V357-L361 HydrophobicContact CG1-CD1 3.9Å; V357-L361 HydrophobicContact CG1-CG 4.2Å; V357-L361 WeakPolarHBondContact O-CB 3.48Å; V357-L361 WeakPolarHBondContact O-CG 3.44Å; V357-L361 PolarHBondContact O-N 2.86Å
358	R	94.9	Very high	94.2	Very high	59 Å²	59	60.9 Å²	60.9	22%	0.223	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-46.4	174.5	-174.2	174.9	-74.3	117.5	-1.5	111.3	T354 E355 S356 R362 L388 D389	T354-R358 WeakPolarHBondContact O-CB 3.21Å; T354-R358 PolarHBondContact O-N 3.38Å; E355-R358 WeakPolarHBondContact O-CB 3.17Å; E355-R358 PolarHBondContact O-N 3.33Å; E355-R358 IonicContact OE2-CZ 3.91Å; E355-R358 IonicContact OE2-NH1 3.18Å; E355-R358 PolarHBondContact OE2-NH1 3.06Å; S356-R358 VanDerWaalsContact C-N 3.3Å; S356-R358 PolarHBondContact O-N 3.23Å; R358-R362 WeakPolarHBondContact O-CG 3.42Å; R358-R362 PolarHBondContact O-N 2.89Å; R358-R362 VanDerWaalsContact O-N 3.16Å; R358-L388 HydrophobicContact CB-CD2 3.74Å; R358-L388 HydrophobicContact CG-CD2 4.47Å; R358-D389 IonicContact NH2-OD1 3.37Å; R358-D389 PolarHBondContact NH2-OD1 2.7Å
359	M	94.3	Very high	94.4	Very high	104 Å²	104	59.6 Å²	59.6	51%	0.512	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-44.6	176.3	-68.8	-178.4	66.8	0	0	111.7	E355 S356 L361 R362 N363	E355-M359 WeakPolarHBondContact O-CG 3.21Å; E355-M359 PolarHBondContact O-N 3.2Å; S356-M359 PolarHBondContact O-N 3Å; M359-L361 PolarHBondContact O-N 3.33Å; M359-R362 PolarHBondContact O-N 3.17Å; M359-N363 WeakPolarHBondContact O-CB 3.36Å; M359-N363 VanDerWaalsContact O-CG 3.29Å; M359-N363 PolarHBondContact O-N 2.98Å; M359-N363 PolarHBondContact O-ND2 3.28Å
360	D	95.9	Very high	94.5	Very high	32 Å²	32	64.5 Å²	64.5	17%	0.171	29%	0.291	C	S	.	.	H	α-helix	trans	-58.9	-46	178.2	-70.5	-26.9	0	0	0	111.6	C336 S340 S356 V357 R362 N363 F364	C336-D360 PolarHBondContact SG-O 3.21Å; S340-D360 WeakPolarHBondContact OG-CB 3.49Å; S356-D360 WeakPolarHBondContact O-CB 2.99Å; S356-D360 PolarHBondContact O-N 3.38Å; V357-D360 PolarHBondContact O-N 3.41Å; D360-R362 PolarHBondContact O-N 2.93Å; D360-N363 PolarHBondContact O-N 3.36Å; D360-F364 WeakPolarHBondContact O-CB 3.22Å; D360-F364 PolarHBondContact O-N 3.11Å
361	L	97	Very high	94.6	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-67.8	-34.8	179	-68.1	176.2	0	0	0	112.5	L337 M341 L344 V357 M359 F364 L365 L384	L337-L361 HydrophobicContact CD1-CD2 4.48Å; M341-L361 HydrophobicContact CE-CD1 4.04Å; M341-L361 HydrophobicContact CE-CD2 3.64Å; M341-L361 HydrophobicContact CE-CG 4.45Å; L344-L361 HydrophobicContact CD1-CD1 4.33Å; V357-L361 HydrophobicContact CG1-CD1 3.9Å; V357-L361 HydrophobicContact CG1-CG 4.2Å; V357-L361 WeakPolarHBondContact O-CB 3.48Å; V357-L361 WeakPolarHBondContact O-CG 3.44Å; V357-L361 PolarHBondContact O-N 2.86Å; M359-L361 PolarHBondContact O-N 3.33Å; L361-F364 WeakPolarHBondContact O-CB 3.12Å; L361-F364 PolarHBondContact O-N 3.09Å; L361-L365 WeakPolarHBondContact O-CG 3.44Å; L361-L365 PolarHBondContact O-N 3.41Å; L361-L365 VanDerWaalsContact O-N 3.12Å; L361-L384 WeakPolarHBondContact CD1-O 3.38Å
362	R	95.6	Very high	94.9	Very high	95 Å²	95	59.4 Å²	59.4	36%	0.358	27%	0.267	S	S	.	.	H	α-helix	trans	-65.8	-43	172.4	-74	175	175.2	-171.6	-3.1	111.6	E203 R358 M359 D360 L365 R366	E203-R362 IonicContact OE1-NH1 2.77Å; E203-R362 PolarHBondContact OE1-NH1 3.13Å; R358-R362 WeakPolarHBondContact O-CG 3.42Å; R358-R362 PolarHBondContact O-N 2.89Å; R358-R362 VanDerWaalsContact O-N 3.16Å; M359-R362 PolarHBondContact O-N 3.17Å; D360-R362 PolarHBondContact O-N 2.93Å; R362-L365 PolarHBondContact O-N 3.47Å; R362-R366 PolarHBondContact O-N 3.13Å
363	N	95.7	Very high	95.1	Very high	69 Å²	69	52 Å²	52	37%	0.369	25%	0.245	S	C	.	.	H	α-helix	trans	-64.8	-42.3	175.8	-70.9	-20.6	0	0	0	111.2	M359 D360 L365 R366 E367	M359-N363 WeakPolarHBondContact O-CB 3.36Å; M359-N363 VanDerWaalsContact O-CG 3.29Å; M359-N363 PolarHBondContact O-N 2.98Å; M359-N363 PolarHBondContact O-ND2 3.28Å; D360-N363 PolarHBondContact O-N 3.36Å; N363-L365 VanDerWaalsContact C-N 3.27Å; N363-L365 PolarHBondContact O-N 3.33Å; N363-R366 PolarHBondContact O-N 2.65Å; N363-E367 WeakPolarHBondContact O-CG 3.36Å; N363-E367 PolarHBondContact O-N 2.9Å
364	F	98.2	Very high	95.6	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-52.2	-46.3	172.8	170.2	-96	0	0	0	111.4	V250 L254 N333 L337 D360 L361 E367 Y368 V381 L384	V250-F364 HydrophobicContact CG1-CZ 4.4Å; L254-F364 HydrophobicContact CD1-CE2 4.5Å; L254-F364 HydrophobicContact CD1-CZ 4.31Å; N333-F364 VanDerWaalsContact ND2-CD2 3.31Å; N333-F364 WeakPolarHBondContact ND2-CD2 3.35Å; N333-F364 PolarHBondContact ND2-O 3.01Å; N333-F364 WeakPolarHBondContact O-CD2 3.35Å; N333-F364 WeakPolarHBondContact O-CE2 3.47Å; N333-F364 WeakPolarHBondContact OD1-CE2 3.33Å; L337-F364 HydrophobicContact CB-CD2 3.78Å; L337-F364 HydrophobicContact CB-CE2 3.56Å; L337-F364 HydrophobicContact CB-CG 4.47Å; L337-F364 HydrophobicContact CB-CZ 4.09Å; L337-F364 HydrophobicContact CD1-CE1 4.48Å; L337-F364 HydrophobicContact CD1-CZ 4.41Å; L337-F364 HydrophobicContact CD2-CE2 4.25Å; L337-F364 HydrophobicContact CD2-CZ 4.05Å; L337-F364 HydrophobicContact CG-CE2 4.36Å; L337-F364 HydrophobicContact CG-CZ 4.42Å; D360-F364 WeakPolarHBondContact O-CB 3.22Å; D360-F364 PolarHBondContact O-N 3.11Å; L361-F364 WeakPolarHBondContact O-CB 3.12Å; L361-F364 PolarHBondContact O-N 3.09Å; F364-E367 PolarHBondContact O-N 3.18Å; F364-Y368 HydrophobicContact CE1-CD2 4.03Å; F364-Y368 HydrophobicContact CE2-CD2 4.38Å; F364-Y368 AromaticContact CZ-CD2 3.65Å; F364-Y368 HydrophobicContact CZ-CD2 3.65Å; F364-Y368 HydrophobicContact CZ-CE2 4.41Å; F364-Y368 HydrophobicContact CZ-CG 4.45Å; F364-Y368 WeakPolarHBondContact O-CA 3.36Å; F364-Y368 WeakPolarHBondContact O-CB 3.33Å; F364-Y368 PolarHBondContact O-N 3.47Å; F364-V381 HydrophobicContact CE1-CG1 4.48Å; F364-L384 HydrophobicContact CD1-CD1 3.74Å; F364-L384 HydrophobicContact CE1-CD1 3.33Å; F364-L384 HydrophobicContact CZ-CD1 4.27Å
365	L	98.3	Very high	96.1	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-38	-179.1	-68.8	178.6	0	0	0	113.4	N201 L361 R362 N363 E369 V381 L384 Q385	N201-L365 PolarHBondContact ND2-O 2.9Å; N201-L365 WeakPolarHBondContact OD1-CB 3.22Å; L361-L365 WeakPolarHBondContact O-CG 3.44Å; L361-L365 PolarHBondContact O-N 3.41Å; L361-L365 VanDerWaalsContact O-N 3.12Å; R362-L365 PolarHBondContact O-N 3.47Å; N363-L365 VanDerWaalsContact C-N 3.27Å; N363-L365 PolarHBondContact O-N 3.33Å; L365-E369 PolarHBondContact O-N 3.46Å; L365-V381 HydrophobicContact CD2-CG1 3.6Å; L365-V381 VanDerWaalsContact CD2-O 3.23Å; L365-V381 WeakPolarHBondContact CD2-O 3.39Å; L365-L384 HydrophobicContact CD2-CD1 4.45Å; L365-Q385 HydrophobicContact CD1-CB 3.8Å; L365-Q385 HydrophobicContact CD1-CG 4.44Å
366	R	97.1	Very high	96.4	Very high	148 Å²	148	48.5 Å²	48.5	56%	0.558	23%	0.227	S	C	*	.	H	α-helix	trans	-66	-48.6	175.2	-67.6	176.3	-174	170.1	0.9	111.1	R362 N363 Y368 E369 W370	R362-R366 PolarHBondContact O-N 3.13Å; N363-R366 PolarHBondContact O-N 2.65Å; R366-Y368 VanDerWaalsContact C-N 3.31Å; R366-Y368 PolarHBondContact O-N 3.32Å; R366-E369 WeakPolarHBondContact O-CB 3.33Å; R366-E369 PolarHBondContact O-N 3.36Å; R366-W370 PolarHBondContact O-N 3.39Å
367	E	98	Very high	96.7	Very high	97 Å²	97	46 Å²	46	45%	0.453	21%	0.209	S	C	.	.	H	α-helix	trans	-68	-31.6	178.1	-66.4	-52.3	135.1	0	0	112.4	N363 F364 E369 W370 C371	N363-E367 WeakPolarHBondContact O-CG 3.36Å; N363-E367 PolarHBondContact O-N 2.9Å; F364-E367 PolarHBondContact O-N 3.18Å; E367-E369 VanDerWaalsContact C-N 3.32Å; E367-E369 PolarHBondContact O-N 2.99Å; E367-W370 PolarHBondContact O-N 3.47Å; E367-C371 WeakPolarHBondContact O-CB 3.45Å; E367-C371 PolarHBondContact O-N 3.48Å; E367-C371 PolarHBondContact O-SG 2.77Å
368	Y	98.5	Very high	96.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-43.3	174.7	-179.6	-76	0	0	0	110.5	L254 L257 N333 F364 R366 W370 C371 Y372 N376 L377 V381	L254-Y368 HydrophobicContact CD2-CD2 3.88Å; L254-Y368 HydrophobicContact CD2-CE2 3.53Å; L254-Y368 HydrophobicContact CG-CE2 4.32Å; L257-Y368 HydrophobicContact CD1-CE2 4.44Å; L257-Y368 WeakPolarHBondContact CD1-OH 3.42Å; N333-Y368 PolarHBondContact ND2-N 2.98Å; F364-Y368 HydrophobicContact CE1-CD2 4.03Å; F364-Y368 HydrophobicContact CE2-CD2 4.38Å; F364-Y368 AromaticContact CZ-CD2 3.65Å; F364-Y368 HydrophobicContact CZ-CD2 3.65Å; F364-Y368 HydrophobicContact CZ-CE2 4.41Å; F364-Y368 HydrophobicContact CZ-CG 4.45Å; F364-Y368 WeakPolarHBondContact O-CA 3.36Å; F364-Y368 WeakPolarHBondContact O-CB 3.33Å; F364-Y368 PolarHBondContact O-N 3.47Å; R366-Y368 VanDerWaalsContact C-N 3.31Å; R366-Y368 PolarHBondContact O-N 3.32Å; Y368-W370 VanDerWaalsContact C-N 3.31Å; Y368-W370 PolarHBondContact O-N 2.99Å; Y368-C371 PolarHBondContact O-N 3.03Å; Y368-Y372 AromaticContact CD1-CD2 3.98Å; Y368-Y372 HydrophobicContact CD1-CD2 3.98Å; Y368-Y372 AromaticContact CD2-CD2 3.39Å; Y368-Y372 HydrophobicContact CD2-CD2 3.39Å; Y368-Y372 AromaticContact CD2-CE2 3.6Å; Y368-Y372 HydrophobicContact CD2-CE2 3.6Å; Y368-Y372 HydrophobicContact CE1-CD2 4.08Å; Y368-Y372 AromaticContact CE2-CD2 3.54Å; Y368-Y372 HydrophobicContact CE2-CD2 3.54Å; Y368-Y372 AromaticContact CE2-CE2 3.9Å; Y368-Y372 HydrophobicContact CE2-CE2 3.9Å; Y368-Y372 HydrophobicContact CE2-CG 4.39Å; Y368-Y372 AromaticContact CG-CD2 3.63Å; Y368-Y372 HydrophobicContact CG-CD2 3.63Å; Y368-Y372 HydrophobicContact CG-CE2 4.16Å; Y368-Y372 AromaticContact CZ-CD2 3.88Å; Y368-Y372 VanDerWaalsContact O-CD2 3.3Å; Y368-Y372 WeakPolarHBondContact O-CD2 3.41Å; Y368-Y372 PolarHBondContact O-N 3.12Å; Y368-N376 HydrophobicContact CE1-CB 3.89Å; Y368-N376 VanDerWaalsContact CE1-O 3.3Å; Y368-N376 WeakPolarHBondContact CE1-O 3.28Å; Y368-N376 PolarHBondContact OH-O 3.16Å; Y368-L377 HydrophobicContact CD1-CD2 3.69Å; Y368-L377 HydrophobicContact CD1-CG 4.46Å; Y368-L377 HydrophobicContact CE1-CD2 4.22Å; Y368-V381 HydrophobicContact CD1-CG1 3.98Å; Y368-V381 HydrophobicContact CD2-CG1 4.18Å; Y368-V381 HydrophobicContact CE1-CG1 3.93Å; Y368-V381 HydrophobicContact CE1-CG2 4.38Å; Y368-V381 HydrophobicContact CE2-CG1 4.11Å; Y368-V381 HydrophobicContact CE2-CG2 4.17Å; Y368-V381 HydrophobicContact CG-CG1 4.11Å
369	E	96.8	Very high	97	Very high	64 Å²	64	45.2 Å²	45.2	30%	0.299	21%	0.21	S	C	.	.	H	α-helix	trans	-60.8	-41.1	176.2	-173.9	168.9	-170.9	0	0	111.6	N201 L365 R366 E367 G373 C374 L377	N201-E369 PolarHBondContact ND2-OE2 3.15Å; L365-E369 PolarHBondContact O-N 3.46Å; R366-E369 WeakPolarHBondContact O-CB 3.33Å; R366-E369 PolarHBondContact O-N 3.36Å; E367-E369 VanDerWaalsContact C-N 3.32Å; E367-E369 PolarHBondContact O-N 2.99Å; E369-G373 WeakPolarHBondContact O-CA 3.27Å; E369-G373 PolarHBondContact O-N 2.87Å; E369-C374 HydrophobicContact CG-CB 3.8Å; E369-C374 WeakPolarHBondContact OE1-CB 3.37Å; E369-L377 HydrophobicContact CB-CD1 4.12Å; E369-L377 HydrophobicContact CG-CD1 4.04Å
370	W	95.9	Very high	97.2	Very high	148 Å²	148	42.3 Å²	42.3	56%	0.561	20%	0.197	S	C	*	.	H	α-helix	trans	-69.3	-37.6	175.9	-178.2	92.8	0	0	0	113.3	K267 S329 R366 E367 Y368	K267-W370 PolarHBondContact NZ-O 3.48Å; K267-W370 VanDerWaalsContact NZ-O 3.13Å; S329-W370 VanDerWaalsContact CB-CZ3 3.43Å; S329-W370 WeakPolarHBondContact OG-CZ3 3.27Å; R366-W370 PolarHBondContact O-N 3.39Å; E367-W370 PolarHBondContact O-N 3.47Å; Y368-W370 VanDerWaalsContact C-N 3.31Å; Y368-W370 PolarHBondContact O-N 2.99Å
371	C	97.6	Very high	97.3	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.027	19%	0.189	C	C	.	.	H	α-helix	trans	-71.7	-46	-179.4	-73.1	0	0	0	0	112.2	L330 E367 Y368	L330-C371 HydrophobicContact CD2-CB 3.76Å; E367-C371 WeakPolarHBondContact O-CB 3.45Å; E367-C371 PolarHBondContact O-N 3.48Å; E367-C371 PolarHBondContact O-SG 2.77Å; Y368-C371 PolarHBondContact O-N 3.03Å
372	Y	97.4	Very high	97.3	Very high	13 Å²	13	40.8 Å²	40.8	5%	0.051	19%	0.188	C	C	.	.	H	α-helix	trans	-122.1	-6.1	-164.6	-49.7	-68.6	0	0	0	114.5	L254 L257 W258 L261 L330 N333 Y368 N376	L254-Y372 HydrophobicContact CD2-CD2 4.18Å; L254-Y372 HydrophobicContact CD2-CE1 4.42Å; L254-Y372 HydrophobicContact CD2-CE2 3.4Å; L257-Y372 HydrophobicContact CB-CD1 3.91Å; L257-Y372 HydrophobicContact CB-CE1 4.26Å; L257-Y372 HydrophobicContact CD1-CD1 3.9Å; L257-Y372 HydrophobicContact CD1-CD2 4.41Å; L257-Y372 HydrophobicContact CD1-CG 3.81Å; L257-Y372 HydrophobicContact CG-CD1 4.43Å; W258-Y372 AromaticContact CD1-CE1 3.82Å; W258-Y372 AromaticContact NE1-CE1 3.71Å; W258-Y372 AromaticContact NE1-CZ 3.71Å; W258-Y372 PolarHBondContact NE1-OH 2.94Å; L261-Y372 HydrophobicContact CD1-CD1 4.2Å; L261-Y372 HydrophobicContact CD1-CE1 4.28Å; L330-Y372 HydrophobicContact CD2-CE1 3.73Å; N333-Y372 WeakPolarHBondContact OD1-CE2 3.48Å; Y368-Y372 AromaticContact CD1-CD2 3.98Å; Y368-Y372 HydrophobicContact CD1-CD2 3.98Å; Y368-Y372 AromaticContact CD2-CD2 3.39Å; Y368-Y372 HydrophobicContact CD2-CD2 3.39Å; Y368-Y372 AromaticContact CD2-CE2 3.6Å; Y368-Y372 HydrophobicContact CD2-CE2 3.6Å; Y368-Y372 HydrophobicContact CE1-CD2 4.08Å; Y368-Y372 AromaticContact CE2-CD2 3.54Å; Y368-Y372 HydrophobicContact CE2-CD2 3.54Å; Y368-Y372 AromaticContact CE2-CE2 3.9Å; Y368-Y372 HydrophobicContact CE2-CE2 3.9Å; Y368-Y372 HydrophobicContact CE2-CG 4.39Å; Y368-Y372 AromaticContact CG-CD2 3.63Å; Y368-Y372 HydrophobicContact CG-CD2 3.63Å; Y368-Y372 HydrophobicContact CG-CE2 4.16Å; Y368-Y372 AromaticContact CZ-CD2 3.88Å; Y368-Y372 VanDerWaalsContact O-CD2 3.3Å; Y368-Y372 WeakPolarHBondContact O-CD2 3.41Å; Y368-Y372 PolarHBondContact O-N 3.12Å; Y372-N376 PolarHBondContact O-ND2 2.96Å
373	G	96.2	Very high	97.4	Very high	19 Å²	19	36.3 Å²	36.3	20%	0.196	17%	0.172	C	C	.	.			trans	89	148.1	-179.1	0	0	0	0	0	113.9	E369 E375 N376	E369-G373 WeakPolarHBondContact O-CA 3.27Å; E369-G373 PolarHBondContact O-N 2.87Å; G373-E375 VanDerWaalsContact CA-OE2 3.3Å; G373-E375 WeakPolarHBondContact CA-OE2 3.34Å; G373-E375 PolarHBondContact O-N 3.27Å; G373-N376 PolarHBondContact O-N 3.4Å
374	C	96.4	Very high	97.6	Very high	35 Å²	35	33 Å²	33	24%	0.236	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-65.7	-20.6	-178.1	72	0	0	0	0	113.6	L193 E369 N376 L377	L193-C374 HydrophobicContact CD1-CB 4.49Å; L193-C374 VanDerWaalsContact CD1-SG 3.51Å; E369-C374 HydrophobicContact CG-CB 3.8Å; E369-C374 WeakPolarHBondContact OE1-CB 3.37Å; C374-N376 PolarHBondContact O-N 2.95Å; C374-L377 HydrophobicContact CB-CD1 4.42Å; C374-L377 PolarHBondContact O-N 3.23Å
375	E	96.9	Very high	97.4	Very high	62 Å²	62	34.6 Å²	34.6	29%	0.29	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-68.8	-12.4	172.4	75.9	-73.4	176.3	0	0	113.2	L193 D194 T198 G373	L193-E375 HydrophobicContact CB-CB 3.82Å; D194-E375 HydrophobicContact CB-CB 4.12Å; D194-E375 HydrophobicContact CB-CG 4.27Å; T198-E375 WeakPolarHBondContact CG2-O 3.37Å; G373-E375 VanDerWaalsContact CA-OE2 3.3Å; G373-E375 WeakPolarHBondContact CA-OE2 3.34Å; G373-E375 PolarHBondContact O-N 3.27Å
376	N	97.7	Very high	97.4	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-102.5	1.8	177.1	-71.2	-63.4	0	0	0	113.9	K253 L257 Y368 Y372 G373 C374 V378	K253-N376 WeakPolarHBondContact CE-OD1 3.45Å; K253-N376 PolarHBondContact NZ-OD1 3.05Å; L257-N376 HydrophobicContact CD1-CB 4.35Å; Y368-N376 HydrophobicContact CE1-CB 3.89Å; Y368-N376 VanDerWaalsContact CE1-O 3.3Å; Y368-N376 WeakPolarHBondContact CE1-O 3.28Å; Y368-N376 PolarHBondContact OH-O 3.16Å; Y372-N376 PolarHBondContact O-ND2 2.96Å; G373-N376 PolarHBondContact O-N 3.4Å; C374-N376 PolarHBondContact O-N 2.95Å; N376-V378 PolarHBondContact O-N 3.06Å
377	L	97.5	Very high	97.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.135	C	C	.	.			trans	-76.2	57.9	171.4	-68.2	173.2	0	0	0	111.4	T198 F199 Y368 E369 C374 V381	T198-L377 CarbonylContact C-O 3.16Å; T198-L377 VanDerWaalsContact CA-O 3.22Å; T198-L377 WeakPolarHBondContact CA-O 3.26Å; T198-L377 WeakPolarHBondContact CB-O 3.23Å; F199-L377 PolarHBondContact N-O 3.45Å; Y368-L377 HydrophobicContact CD1-CD2 3.69Å; Y368-L377 HydrophobicContact CD1-CG 4.46Å; Y368-L377 HydrophobicContact CE1-CD2 4.22Å; E369-L377 HydrophobicContact CB-CD1 4.12Å; E369-L377 HydrophobicContact CG-CD1 4.04Å; C374-L377 HydrophobicContact CB-CD1 4.42Å; C374-L377 PolarHBondContact O-N 3.23Å; L377-V381 HydrophobicContact CD2-CG1 4.09Å
378	V	97.8	Very high	97.2	Very high	34 Å²	34	23 Å²	23	21%	0.206	11%	0.114	C	C	.	.			trans	-73.8	168	178.7	-62	0	0	0	0	111.4	K196 N376 N380 V381 H382	K196-V378 HydrophobicContact CB-CG1 4.48Å; N376-V378 PolarHBondContact O-N 3.06Å; V378-N380 PolarHBondContact O-N 3.16Å; V378-V381 HydrophobicContact CG2-CG2 4Å; V378-V381 WeakPolarHBondContact O-CB 3.49Å; V378-V381 PolarHBondContact O-N 3.35Å; V378-H382 PolarHBondContact O-N 2.92Å
379	Y	98.1	Very high	97.1	Very high	9 Å²	9	25.5 Å²	25.5	4%	0.035	13%	0.127	C	C	.	.	H	α-helix	trans	-42.2	-55.3	-177	173.1	-91	0	0	0	114	A165 R168 H177 G182 D184 F199 V381 H382 S383	A165-Y379 HydrophobicContact CB-CD1 4.44Å; A165-Y379 HydrophobicContact CB-CE1 3.73Å; R168-Y379 PolarHBondContact NH1-OH 3.46Å; H177-Y379 HydrophobicContact CB-CD1 3.78Å; H177-Y379 HydrophobicContact CB-CD2 3.7Å; H177-Y379 HydrophobicContact CB-CE1 4.24Å; H177-Y379 HydrophobicContact CB-CE2 4.13Å; H177-Y379 HydrophobicContact CB-CG 3.52Å; G182-Y379 WeakPolarHBondContact O-CE2 3.32Å; D184-Y379 PolarHBondContact OD2-OH 2.93Å; F199-Y379 HydrophobicContact CE2-CD2 4.37Å; Y379-V381 VanDerWaalsContact C-N 3.25Å; Y379-V381 PolarHBondContact O-N 3.46Å; Y379-H382 PolarHBondContact O-N 3.49Å; Y379-S383 WeakPolarHBondContact O-CB 3.5Å; Y379-S383 PolarHBondContact O-N 2.82Å; Y379-S383 PolarHBondContact O-OG 3.32Å
380	N	98.2	Very high	97.1	Very high	44 Å²	44	22.5 Å²	22.5	24%	0.235	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-32	-176.7	-75.4	-21.5	0	0	0	113.2	M245 G249 V250 V378	M245-N380 WeakPolarHBondContact CE-O 3.31Å; M245-N380 HydrophobicContact CG-CB 4.21Å; G249-N380 WeakPolarHBondContact CA-ND2 3.39Å; V250-N380 HydrophobicContact CG2-CB 4.22Å; V250-N380 VanDerWaalsContact CG2-O 3.25Å; V250-N380 WeakPolarHBondContact CG2-O 3.41Å; V378-N380 PolarHBondContact O-N 3.16Å
381	V	98.5	Very high	97.2	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-71.7	-52.6	176.4	179.4	0	0	0	0	108.8	V250 F364 L365 Y368 L377 V378 Y379 S383 L384	V250-V381 HydrophobicContact CG2-CG2 4.36Å; F364-V381 HydrophobicContact CE1-CG1 4.48Å; L365-V381 HydrophobicContact CD2-CG1 3.6Å; L365-V381 VanDerWaalsContact CD2-O 3.23Å; L365-V381 WeakPolarHBondContact CD2-O 3.39Å; Y368-V381 HydrophobicContact CD1-CG1 3.98Å; Y368-V381 HydrophobicContact CD2-CG1 4.18Å; Y368-V381 HydrophobicContact CE1-CG1 3.93Å; Y368-V381 HydrophobicContact CE1-CG2 4.38Å; Y368-V381 HydrophobicContact CE2-CG1 4.11Å; Y368-V381 HydrophobicContact CE2-CG2 4.17Å; Y368-V381 HydrophobicContact CG-CG1 4.11Å; L377-V381 HydrophobicContact CD2-CG1 4.09Å; V378-V381 HydrophobicContact CG2-CG2 4Å; V378-V381 WeakPolarHBondContact O-CB 3.49Å; V378-V381 PolarHBondContact O-N 3.35Å; Y379-V381 VanDerWaalsContact C-N 3.25Å; Y379-V381 PolarHBondContact O-N 3.46Å; V381-S383 PolarHBondContact O-N 2.75Å; V381-L384 WeakPolarHBondContact O-CB 3.32Å; V381-L384 WeakPolarHBondContact O-CG 3.41Å; V381-L384 PolarHBondContact O-N 2.77Å; V381-L384 VanDerWaalsContact O-N 3.14Å
382	H	97.9	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-54	-40.6	176.7	172.1	85.6	0	0	0	112.8	C183 F199 V378 Y379 L384 Q385 H386	C183-H382 PolarHBondContact SG-NE2 3.06Å; F199-H382 HydrophobicContact CB-CB 3.75Å; F199-H382 HydrophobicContact CD2-CB 4.42Å; F199-H382 HydrophobicContact CG-CB 4.35Å; V378-H382 PolarHBondContact O-N 2.92Å; Y379-H382 PolarHBondContact O-N 3.49Å; H382-L384 PolarHBondContact O-N 3.19Å; H382-Q385 PolarHBondContact CE1-NE2 2.83Å; H382-Q385 PolarHBondContact ND1-NE2 3.47Å; H382-Q385 VanDerWaalsContact ND1-NE2 3.11Å; H382-Q385 WeakPolarHBondContact O-CG 3.39Å; H382-Q385 PolarHBondContact O-N 3.14Å; H382-Q385 PolarHBondContact O-NE2 2.65Å; H382-H386 AromaticContact CD2-NE2 3.85Å; H382-H386 AromaticContact NE2-NE2 3.23Å; H382-H386 PolarHBondContact NE2-NE2 3.46Å
383	S	97.7	Very high	97	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-64.5	-17.5	-177.1	-66.4	0	0	0	0	114.5	Y379 V381 Q385 H386 L387	Y379-S383 WeakPolarHBondContact O-CB 3.5Å; Y379-S383 PolarHBondContact O-N 2.82Å; Y379-S383 PolarHBondContact O-OG 3.32Å; V381-S383 PolarHBondContact O-N 2.75Å; S383-Q385 PolarHBondContact O-N 3.42Å; S383-H386 PolarHBondContact O-N 3.48Å; S383-H386 VanDerWaalsContact O-N 3.1Å; S383-L387 PolarHBondContact O-N 3.03Å
384	L	98.1	Very high	97.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-55.2	-37.3	176.1	-75.4	165.8	0	0	0	112.9	M245 V246 V250 L337 M341 L361 F364 L365 V381 H382 H386 L387	M245-L384 HydrophobicContact CE-CB 4.16Å; M245-L384 HydrophobicContact CE-CD2 3.32Å; M245-L384 HydrophobicContact CE-CG 3.52Å; V246-L384 HydrophobicContact CG2-CD2 4.33Å; V250-L384 HydrophobicContact CG1-CD1 4.02Å; V250-L384 HydrophobicContact CG2-CD1 3.93Å; V250-L384 HydrophobicContact CG2-CD2 4.28Å; V250-L384 HydrophobicContact CG2-CG 4.04Å; L337-L384 HydrophobicContact CD1-CD1 3.88Å; L337-L384 HydrophobicContact CD1-CD2 3.74Å; L337-L384 HydrophobicContact CD1-CG 4.5Å; M341-L384 HydrophobicContact CE-CD2 4.1Å; M341-L384 HydrophobicContact SD-CD2 4.36Å; L361-L384 WeakPolarHBondContact CD1-O 3.38Å; F364-L384 HydrophobicContact CD1-CD1 3.74Å; F364-L384 HydrophobicContact CE1-CD1 3.33Å; F364-L384 HydrophobicContact CZ-CD1 4.27Å; L365-L384 HydrophobicContact CD2-CD1 4.45Å; V381-L384 WeakPolarHBondContact O-CB 3.32Å; V381-L384 WeakPolarHBondContact O-CG 3.41Å; V381-L384 PolarHBondContact O-N 2.77Å; V381-L384 VanDerWaalsContact O-N 3.14Å; H382-L384 PolarHBondContact O-N 3.19Å; L384-H386 PolarHBondContact O-N 2.8Å; L384-H386 VanDerWaalsContact O-N 3.16Å; L384-L387 HydrophobicContact CD2-CD2 4.49Å; L384-L387 WeakPolarHBondContact O-CB 3.12Å; L384-L387 PolarHBondContact O-N 2.92Å; L384-L387 VanDerWaalsContact O-N 3.16Å
385	Q	96	Very high	97	Very high	34 Å²	34	20 Å²	20	16%	0.159	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-65.4	-19.8	-177.6	75.8	-165.9	-79.8	0	0	113.6	L365 H382 S383	L365-Q385 HydrophobicContact CD1-CB 3.8Å; L365-Q385 HydrophobicContact CD1-CG 4.44Å; H382-Q385 PolarHBondContact CE1-NE2 2.83Å; H382-Q385 PolarHBondContact ND1-NE2 3.47Å; H382-Q385 VanDerWaalsContact ND1-NE2 3.11Å; H382-Q385 WeakPolarHBondContact O-CG 3.39Å; H382-Q385 PolarHBondContact O-N 3.14Å; H382-Q385 PolarHBondContact O-NE2 2.65Å; S383-Q385 PolarHBondContact O-N 3.42Å
386	H	96.3	Very high	97	Very high	6 Å²	6	18.3 Å²	18.3	3%	0.028	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-98.6	-8.9	-178.8	-50.8	-59.5	0	0	0	112.4	R185 L240 H382 S383 L384 L388 D389	R185-H386 HydrophobicContact CB-CB 3.79Å; R185-H386 VanDerWaalsContact CB-CD2 3.48Å; R185-H386 WeakPolarHBondContact CB-CD2 3.14Å; R185-H386 HydrophobicContact CG-CB 3.58Å; L240-H386 HydrophobicContact CD1-CB 4.07Å; H382-H386 AromaticContact CD2-NE2 3.85Å; H382-H386 AromaticContact NE2-NE2 3.23Å; H382-H386 PolarHBondContact NE2-NE2 3.46Å; S383-H386 PolarHBondContact O-N 3.48Å; S383-H386 VanDerWaalsContact O-N 3.1Å; L384-H386 PolarHBondContact O-N 2.8Å; L384-H386 VanDerWaalsContact O-N 3.16Å; H386-L388 VanDerWaalsContact C-N 3.32Å; H386-L388 PolarHBondContact O-N 2.88Å; H386-D389 PolarHBondContact O-N 2.74Å
387	L	96.6	Very high	97	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.3	-31.4	-171.4	-177.4	59.8	0	0	0	112.9	L240 P242 M245 V246 M341 L344 S383 L384 D389 D390 V391 L397 F400	L240-L387 HydrophobicContact CB-CD1 4.34Å; P242-L387 HydrophobicContact CG-CD1 4.35Å; M245-L387 HydrophobicContact CE-CD2 4.27Å; V246-L387 HydrophobicContact CG2-CD2 3.58Å; M341-L387 HydrophobicContact CE-CD2 3.99Å; M341-L387 HydrophobicContact SD-CD2 3.71Å; L344-L387 HydrophobicContact CD1-CD2 4.49Å; S383-L387 PolarHBondContact O-N 3.03Å; L384-L387 HydrophobicContact CD2-CD2 4.49Å; L384-L387 WeakPolarHBondContact O-CB 3.12Å; L384-L387 PolarHBondContact O-N 2.92Å; L384-L387 VanDerWaalsContact O-N 3.16Å; L387-D389 VanDerWaalsContact C-N 3.28Å; L387-D389 PolarHBondContact O-N 2.86Å; L387-D390 PolarHBondContact O-N 2.84Å; L387-V391 WeakPolarHBondContact O-CG2 3.29Å; L387-V391 PolarHBondContact O-N 3.49Å; L387-V391 VanDerWaalsContact O-N 3.07Å; L387-L397 HydrophobicContact CD1-CD2 3.98Å; L387-L397 HydrophobicContact CD2-CD2 3.73Å; L387-L397 HydrophobicContact CG-CD2 3.89Å; L387-F400 HydrophobicContact CD1-CE2 4.16Å; L387-F400 HydrophobicContact CD1-CZ 4.13Å
388	L	96.2	Very high	96.8	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-38.5	179.1	173.6	63.4	0	0	0	112	L344 T354 R358 H386 D390 V391 L392	L344-L388 HydrophobicContact CD2-CD1 3.68Å; T354-L388 HydrophobicContact CG2-CD1 4.29Å; T354-L388 WeakPolarHBondContact O-CD2 3.47Å; R358-L388 HydrophobicContact CB-CD2 3.74Å; R358-L388 HydrophobicContact CG-CD2 4.47Å; H386-L388 VanDerWaalsContact C-N 3.32Å; H386-L388 PolarHBondContact O-N 2.88Å; L388-D390 VanDerWaalsContact C-N 3.3Å; L388-D390 PolarHBondContact O-N 3.4Å; L388-V391 WeakPolarHBondContact O-CB 3.44Å; L388-V391 PolarHBondContact O-N 3.34Å; L388-V391 VanDerWaalsContact O-N 3.15Å; L388-L392 HydrophobicContact CD1-CD1 4.41Å; L388-L392 HydrophobicContact CD1-CG 4.22Å; L388-L392 HydrophobicContact CG-CD1 4.28Å; L388-L392 HydrophobicContact CG-CG 4.48Å; L388-L392 WeakPolarHBondContact O-CG 3.33Å; L388-L392 PolarHBondContact O-N 2.77Å
389	D	95.3	Very high	96.7	Very high	52 Å²	52	20.9 Å²	20.9	28%	0.278	12%	0.123	S	C	.	.	H	α-helix	trans	-67.2	-35.9	-178	-58.3	-28.5	0	0	0	110.8	R358 H386 L387 L392 A393	R358-D389 IonicContact NH2-OD1 3.37Å; R358-D389 PolarHBondContact NH2-OD1 2.7Å; H386-D389 PolarHBondContact O-N 2.74Å; L387-D389 VanDerWaalsContact C-N 3.28Å; L387-D389 PolarHBondContact O-N 2.86Å; D389-L392 PolarHBondContact O-N 2.94Å; D389-A393 PolarHBondContact O-N 2.85Å; D389-A393 VanDerWaalsContact O-N 3.09Å
390	D	97.2	Very high	96.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-67.3	-38	172.2	-70.9	-28.7	0	0	0	111.9	R185 P239 L240 L387 L388 L392 A393 H394 F400	R185-D390 IonicContact CZ-OD1 3.58Å; R185-D390 IonicContact CZ-OD2 3.71Å; R185-D390 IonicContact NE-OD1 2.63Å; R185-D390 IonicContact NE-OD2 2.68Å; R185-D390 IonicContact NH2-OD1 3.46Å; R185-D390 PolarHBondContact NH2-OD1 3.13Å; R185-D390 IonicContact NH2-OD2 3.19Å; R185-D390 PolarHBondContact NH2-OD2 3.45Å; P239-D390 HydrophobicContact CB-CB 4.12Å; L240-D390 WeakPolarHBondContact CB-OD2 3.37Å; L240-D390 WeakPolarHBondContact CG-OD2 3.34Å; L240-D390 PolarHBondContact N-OD2 3.47Å; L387-D390 PolarHBondContact O-N 2.84Å; L388-D390 VanDerWaalsContact C-N 3.3Å; L388-D390 PolarHBondContact O-N 3.4Å; D390-L392 VanDerWaalsContact C-N 3.31Å; D390-L392 PolarHBondContact O-N 2.54Å; D390-A393 PolarHBondContact O-N 3.18Å; D390-H394 WeakPolarHBondContact O-CB 3.47Å; D390-H394 PolarHBondContact O-CD2 3.36Å; D390-H394 VanDerWaalsContact O-CD2 3.28Å; D390-H394 PolarHBondContact O-N 3.23Å; D390-F400 HydrophobicContact CB-CE2 4.07Å; D390-F400 HydrophobicContact CB-CZ 4.09Å
391	V	97.5	Very high	96.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-37.1	175.7	169	0	0	0	0	111.7	L344 Y350 L387 L388 G395 L397 F400	L344-V391 HydrophobicContact CB-CG1 4.45Å; L344-V391 HydrophobicContact CB-CG2 4.23Å; L344-V391 HydrophobicContact CD1-CG2 4.32Å; L344-V391 HydrophobicContact CD2-CB 4.36Å; L344-V391 HydrophobicContact CD2-CG1 3.92Å; L344-V391 HydrophobicContact CD2-CG2 4.39Å; Y350-V391 HydrophobicContact CD2-CG1 3.55Å; Y350-V391 HydrophobicContact CG-CG1 4.2Å; L387-V391 WeakPolarHBondContact O-CG2 3.29Å; L387-V391 PolarHBondContact O-N 3.49Å; L387-V391 VanDerWaalsContact O-N 3.07Å; L388-V391 WeakPolarHBondContact O-CB 3.44Å; L388-V391 PolarHBondContact O-N 3.34Å; L388-V391 VanDerWaalsContact O-N 3.15Å; V391-G395 CarbonylContact C-O 3.58Å; V391-G395 VanDerWaalsContact CA-O 3.28Å; V391-G395 WeakPolarHBondContact CA-O 3.46Å; V391-G395 CarbonylContact O-C 3.59Å; V391-G395 WeakPolarHBondContact O-CA 3.26Å; V391-G395 PolarHBondContact O-N 3.3Å; V391-L397 HydrophobicContact CG2-CD2 3.49Å; V391-L397 VanDerWaalsContact CG2-CD2 3.49Å; V391-L397 HydrophobicContact CG2-CG 4.26Å; V391-F400 HydrophobicContact CG2-CE1 3.89Å; V391-F400 HydrophobicContact CG2-CZ 3.73Å
392	L	96.5	Very high	96.6	Very high	78 Å²	78	18.8 Å²	18.8	41%	0.408	11%	0.114	S	C	.	.	H	α-helix	trans	-69.2	-35.1	175.2	-68.4	177.3	0	0	0	112.6	N351 T354 L388 D389 D390	N351-L392 HydrophobicContact CB-CD2 4.08Å; T354-L392 HydrophobicContact CG2-CD1 4.41Å; T354-L392 HydrophobicContact CG2-CD2 3.68Å; L388-L392 HydrophobicContact CD1-CD1 4.41Å; L388-L392 HydrophobicContact CD1-CG 4.22Å; L388-L392 HydrophobicContact CG-CD1 4.28Å; L388-L392 HydrophobicContact CG-CG 4.48Å; L388-L392 WeakPolarHBondContact O-CG 3.33Å; L388-L392 PolarHBondContact O-N 2.77Å; D389-L392 PolarHBondContact O-N 2.94Å; D390-L392 VanDerWaalsContact C-N 3.31Å; D390-L392 PolarHBondContact O-N 2.54Å
393	A	95.5	Very high	96.5	Very high	54 Å²	54	21.2 Å²	21.2	45%	0.446	12%	0.124	S	C	.	.	H	α-helix	trans	-78	-38.1	179.5	0	0	0	0	0	113.3	D389 D390	D389-A393 PolarHBondContact O-N 2.85Å; D389-A393 VanDerWaalsContact O-N 3.09Å; D390-A393 PolarHBondContact O-N 3.18Å
394	H	96.7	Very high	96.4	Very high	25 Å²	25	22.7 Å²	22.7	12%	0.116	13%	0.134	C	C	.	.	H	α-helix	trans	-115.6	-8.3	-166.7	-61.8	-65.8	0	0	0	114.7	S159 L236 D390 S399 F400	S159-H394 PolarHBondContact O-CE1 2.83Å; L236-H394 PolarHBondContact O-CE1 3.33Å; L236-H394 PolarHBondContact O-NE2 3.39Å; D390-H394 WeakPolarHBondContact O-CB 3.47Å; D390-H394 PolarHBondContact O-CD2 3.36Å; D390-H394 VanDerWaalsContact O-CD2 3.28Å; D390-H394 PolarHBondContact O-N 3.23Å; H394-S399 PolarHBondContact O-OG 2.75Å; H394-F400 HydrophobicContact CB-CB 3.92Å; H394-F400 HydrophobicContact CB-CD1 3.57Å; H394-F400 HydrophobicContact CB-CE1 4.32Å; H394-F400 HydrophobicContact CB-CG 3.92Å
395	G	95.9	Very high	96.4	Very high	9 Å²	9	22.8 Å²	22.8	9%	0.093	13%	0.134	C	C	.	.			trans	99.9	-167.3	-176.2	0	0	0	0	0	113.3	V391 F400	V391-G395 CarbonylContact C-O 3.58Å; V391-G395 VanDerWaalsContact CA-O 3.28Å; V391-G395 WeakPolarHBondContact CA-O 3.46Å; V391-G395 CarbonylContact O-C 3.59Å; V391-G395 WeakPolarHBondContact O-CA 3.26Å; V391-G395 PolarHBondContact O-N 3.3Å; G395-F400 WeakPolarHBondContact O-CE1 3.3Å
396	P	96.4	Very high	96.3	Very high	28 Å²	28	25.3 Å²	25.3	18%	0.182	15%	0.146	C	C	.	.	S	Bend	trans	-57.3	156.6	-178.5	-20.3	29.2	0	0	0	113	L344 Y350 D398 S399	L344-P396 VanDerWaalsContact O-CA 3.27Å; L344-P396 WeakPolarHBondContact O-CA 3.5Å; Y350-P396 HydrophobicContact CD1-CB 4.49Å; Y350-P396 HydrophobicContact CD1-CG 3.62Å; Y350-P396 HydrophobicContact CD2-CG 4.45Å; Y350-P396 HydrophobicContact CE1-CG 3.97Å; Y350-P396 HydrophobicContact CG-CB 4.34Å; Y350-P396 HydrophobicContact CG-CG 3.88Å; P396-D398 PolarHBondContact O-N 3.48Å; P396-S399 WeakPolarHBondContact O-CB 3.46Å; P396-S399 PolarHBondContact O-N 2.87Å; P396-S399 PolarHBondContact O-OG 2.77Å
397	L	97.4	Very high	96.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-38.9	-174.3	-68.3	179.9	0	0	0	115.8	P242 M341 L344 A345 L387 V391 S399 F400	P242-L397 HydrophobicContact CB-CB 4.26Å; P242-L397 HydrophobicContact CB-CD2 4.23Å; P242-L397 HydrophobicContact CG-CB 4.11Å; P242-L397 HydrophobicContact CG-CD2 3.8Å; P242-L397 WeakPolarHBondContact CG-O 3.5Å; M341-L397 HydrophobicContact CB-CD1 4.21Å; M341-L397 WeakPolarHBondContact O-CD1 3.44Å; M341-L397 HydrophobicContact SD-CD1 3.8Å; L344-L397 HydrophobicContact CB-CD1 3.93Å; L344-L397 HydrophobicContact CB-CD2 4.14Å; L344-L397 HydrophobicContact CB-CG 3.77Å; L344-L397 PolarHBondContact O-N 2.94Å; A345-L397 HydrophobicContact CB-CB 4.17Å; A345-L397 HydrophobicContact CB-CD1 4.17Å; A345-L397 HydrophobicContact CB-CG 4.39Å; L387-L397 HydrophobicContact CD1-CD2 3.98Å; L387-L397 HydrophobicContact CD2-CD2 3.73Å; L387-L397 HydrophobicContact CG-CD2 3.89Å; V391-L397 HydrophobicContact CG2-CD2 3.49Å; V391-L397 VanDerWaalsContact CG2-CD2 3.49Å; V391-L397 HydrophobicContact CG2-CG 4.26Å; L397-S399 VanDerWaalsContact C-N 3.3Å; L397-S399 PolarHBondContact O-N 2.91Å; L397-F400 HydrophobicContact CD2-CZ 4.06Å
398	D	93.8	Very high	96	Very high	50 Å²	50	29.3 Å²	29.3	27%	0.267	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.6	-178.1	-71.6	-23.9	0	0	0	113.3	R311 P396 F400 S401	R311-D398 IonicContact CZ-OD1 2.64Å; R311-D398 IonicContact CZ-OD2 3.3Å; R311-D398 IonicContact NE-OD1 3.96Å; R311-D398 PolarHBondContact NE-OD1 2.91Å; R311-D398 IonicContact NE-OD2 3.36Å; R311-D398 PolarHBondContact NE-OD2 3.32Å; R311-D398 IonicContact NH2-OD1 3.62Å; R311-D398 IonicContact NH2-OD2 2.76Å; R311-D398 PolarHBondContact NH2-OD2 2.7Å; P396-D398 PolarHBondContact O-N 3.48Å; D398-F400 VanDerWaalsContact C-N 3.33Å; D398-F400 PolarHBondContact O-N 3.47Å; D398-S401 PolarHBondContact O-N 3.22Å; D398-S401 PolarHBondContact O-OG 3.24Å
399	S	95.4	Very high	95.8	Very high	46 Å²	46	29.8 Å²	29.8	32%	0.322	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-37.2	-176.2	69.5	0	0	0	0	112.2	Y80 H394 P396 L397	Y80-S399 WeakPolarHBondContact CE2-O 3.4Å; H394-S399 PolarHBondContact O-OG 2.75Å; P396-S399 WeakPolarHBondContact O-CB 3.46Å; P396-S399 PolarHBondContact O-N 2.87Å; P396-S399 PolarHBondContact O-OG 2.77Å; L397-S399 VanDerWaalsContact C-N 3.3Å; L397-S399 PolarHBondContact O-N 2.91Å
400	F	97.3	Very high	95.6	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	24.1	178.4	61.4	-84.1	0	0	0	113.1	Y80 I162 P239 L240 P242 L387 D390 V391 H394 G395 L397 D398	Y80-F400 HydrophobicContact CE2-CB 4.29Å; I162-F400 HydrophobicContact CD1-CB 4.02Å; P239-F400 HydrophobicContact CB-CD2 3.7Å; P239-F400 HydrophobicContact CB-CE2 4.22Å; P239-F400 HydrophobicContact CB-CG 4.31Å; P239-F400 HydrophobicContact CG-CB 4.19Å; P239-F400 HydrophobicContact CG-CD2 4.18Å; L240-F400 WeakPolarHBondContact O-CE2 3.5Å; P242-F400 VanDerWaalsContact CD-CE2 3.48Å; P242-F400 HydrophobicContact CG-CD2 4.03Å; P242-F400 HydrophobicContact CG-CE2 3.45Å; P242-F400 VanDerWaalsContact CG-CE2 3.45Å; P242-F400 HydrophobicContact CG-CZ 3.81Å; L387-F400 HydrophobicContact CD1-CE2 4.16Å; L387-F400 HydrophobicContact CD1-CZ 4.13Å; D390-F400 HydrophobicContact CB-CE2 4.07Å; D390-F400 HydrophobicContact CB-CZ 4.09Å; V391-F400 HydrophobicContact CG2-CE1 3.89Å; V391-F400 HydrophobicContact CG2-CZ 3.73Å; H394-F400 HydrophobicContact CB-CB 3.92Å; H394-F400 HydrophobicContact CB-CD1 3.57Å; H394-F400 HydrophobicContact CB-CE1 4.32Å; H394-F400 HydrophobicContact CB-CG 3.92Å; G395-F400 WeakPolarHBondContact O-CE1 3.3Å; L397-F400 HydrophobicContact CD2-CZ 4.06Å; D398-F400 VanDerWaalsContact C-N 3.33Å; D398-F400 PolarHBondContact O-N 3.47Å
401	S	97.7	Very high	95.2	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.042	21%	0.21	C	C	.	.			trans	-80.5	151.4	176.8	71.3	0	0	0	0	113.2	D241 D398 F403 P404	D241-S401 WeakPolarHBondContact OD1-CA 3.34Å; D398-S401 PolarHBondContact O-N 3.22Å; D398-S401 PolarHBondContact O-OG 3.24Å; S401-F403 VanDerWaalsContact C-N 3.26Å; S401-F403 PolarHBondContact O-N 3.5Å; S401-P404 VanDerWaalsContact O-CD 3.27Å; S401-P404 WeakPolarHBondContact O-CD 3.26Å
402	A	97.9	Very high	94.9	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.025	21%	0.211	C	C	.	.	S	Bend	trans	-77.4	-4.3	177.2	0	0	0	0	0	114.4	I162 D241 M243 P404 F405 E406	I162-A402 HydrophobicContact CG2-CB 4.06Å; D241-A402 PolarHBondContact OD1-N 2.76Å; D241-A402 WeakPolarHBondContact OD2-CB 3.43Å; M243-A402 HydrophobicContact CB-CB 4.33Å; M243-A402 HydrophobicContact CE-CB 3.7Å; M243-A402 HydrophobicContact SD-CB 4.1Å; A402-P404 VanDerWaalsContact C-CD 3.46Å; A402-F405 PolarHBondContact O-N 3.45Å; A402-F405 VanDerWaalsContact O-N 3.07Å; A402-E406 PolarHBondContact O-N 2.8Å
403	F	96	Very high	94.4	Very high	51 Å²	51	39.6 Å²	39.6	22%	0.224	21%	0.208	C	C	.	.	H	α-helix	trans	-52.1	-46.1	-177.4	-77.3	-66.5	0	0	0	114.6	M243 Y247 A307 S401 F405 E406 S407	M243-F403 HydrophobicContact CB-CD2 4.28Å; M243-F403 HydrophobicContact CB-CE2 4.21Å; M243-F403 HydrophobicContact CB-CZ 4.44Å; M243-F403 HydrophobicContact CG-CD1 3.89Å; M243-F403 HydrophobicContact CG-CD2 4.15Å; M243-F403 HydrophobicContact CG-CE1 3.72Å; M243-F403 HydrophobicContact CG-CE2 3.98Å; M243-F403 HydrophobicContact CG-CG 4.1Å; M243-F403 HydrophobicContact CG-CZ 3.76Å; M243-F403 HydrophobicContact SD-CB 4.28Å; M243-F403 HydrophobicContact SD-CD1 3.48Å; M243-F403 WeakPolarHBondContact SD-CD1 3.48Å; M243-F403 HydrophobicContact SD-CD2 4.36Å; M243-F403 HydrophobicContact SD-CE1 3.87Å; M243-F403 HydrophobicContact SD-CG 3.76Å; M243-F403 HydrophobicContact SD-CZ 4.45Å; M243-F403 PolarHBondContact SD-N 2.85Å; M243-F403 VanDerWaalsContact SD-N 3.45Å; Y247-F403 AromaticContact CD2-CE2 3.81Å; Y247-F403 HydrophobicContact CD2-CE2 3.81Å; Y247-F403 AromaticContact CD2-CZ 3.83Å; Y247-F403 HydrophobicContact CD2-CZ 3.83Å; Y247-F403 AromaticContact CE2-CE2 3.71Å; Y247-F403 HydrophobicContact CE2-CE2 3.71Å; Y247-F403 HydrophobicContact CE2-CZ 4.17Å; A307-F403 HydrophobicContact CB-CE1 3.6Å; A307-F403 HydrophobicContact CB-CZ 3.83Å; S401-F403 VanDerWaalsContact C-N 3.26Å; S401-F403 PolarHBondContact O-N 3.5Å; F403-F405 VanDerWaalsContact C-N 3.3Å; F403-F405 PolarHBondContact O-N 3.45Å; F403-E406 PolarHBondContact O-N 2.9Å; F403-S407 WeakPolarHBondContact O-CB 3.44Å; F403-S407 PolarHBondContact O-N 3.44Å
404	P	95.4	Very high	93.9	Very high	31 Å²	31	41.4 Å²	41.4	20%	0.201	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-39.1	179.4	-20.2	33.7	0	0	0	111.7	V111 S401 A402 S407 Y408	V111-P404 HydrophobicContact CG2-CB 3.9Å; S401-P404 VanDerWaalsContact O-CD 3.27Å; S401-P404 WeakPolarHBondContact O-CD 3.26Å; A402-P404 VanDerWaalsContact C-CD 3.46Å; P404-S407 WeakPolarHBondContact O-CB 3.44Å; P404-S407 PolarHBondContact O-N 3.16Å; P404-Y408 PolarHBondContact O-N 3.31Å
405	F	97.1	Very high	93.2	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.013	21%	0.212	C	C	.	.	H	α-helix	trans	-72.7	-41.7	-179.6	-55.8	-74.7	0	0	0	111.7	N82 L100 R102 V111 I162 A402 F403 S407 Y408 M409	N82-F405 HydrophobicContact CB-CB 4Å; N82-F405 HydrophobicContact CB-CD1 3.31Å; N82-F405 HydrophobicContact CB-CD2 3.77Å; N82-F405 HydrophobicContact CB-CE1 3.58Å; N82-F405 HydrophobicContact CB-CE2 4.01Å; N82-F405 HydrophobicContact CB-CG 3.41Å; N82-F405 VanDerWaalsContact CB-CG 3.41Å; N82-F405 HydrophobicContact CB-CZ 3.92Å; N82-F405 WeakPolarHBondContact OD1-CB 3.35Å; L100-F405 HydrophobicContact CB-CD1 3.94Å; L100-F405 HydrophobicContact CB-CE1 4.36Å; L100-F405 HydrophobicContact CD1-CB 4.26Å; L100-F405 HydrophobicContact CD1-CD1 4.23Å; R102-F405 HydrophobicContact CB-CE1 3.99Å; R102-F405 HydrophobicContact CB-CZ 4.02Å; V111-F405 HydrophobicContact CB-CD1 4.5Å; V111-F405 HydrophobicContact CG1-CD1 3.71Å; V111-F405 HydrophobicContact CG1-CE1 4.15Å; V111-F405 HydrophobicContact CG2-CD1 3.88Å; V111-F405 HydrophobicContact CG2-CE1 4.07Å; I162-F405 HydrophobicContact CB-CD2 4.44Å; I162-F405 HydrophobicContact CB-CE2 4.08Å; I162-F405 HydrophobicContact CG1-CE2 3.9Å; I162-F405 HydrophobicContact CG2-CD2 4.36Å; I162-F405 HydrophobicContact CG2-CE2 4.34Å; A402-F405 PolarHBondContact O-N 3.45Å; A402-F405 VanDerWaalsContact O-N 3.07Å; F403-F405 VanDerWaalsContact C-N 3.3Å; F403-F405 PolarHBondContact O-N 3.45Å; F405-S407 VanDerWaalsContact C-N 3.29Å; F405-S407 PolarHBondContact O-N 2.97Å; F405-Y408 PolarHBondContact O-N 2.83Å; F405-Y408 VanDerWaalsContact O-N 3.17Å; F405-M409 HydrophobicContact CB-CE 4.36Å; F405-M409 WeakPolarHBondContact O-CG 3.02Å; F405-M409 PolarHBondContact O-N 2.83Å
406	E	94.5	Very high	92.6	Very high	86 Å²	86	42.1 Å²	42.1	40%	0.402	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-39.2	174.3	-167.8	-175.3	170.3	0	0	111.1	M243 A402 F403 M409 R410	M243-E406 HydrophobicContact CE-CB 4.24Å; M243-E406 WeakPolarHBondContact CE-OE2 3.36Å; M243-E406 HydrophobicContact SD-CB 4.4Å; A402-E406 PolarHBondContact O-N 2.8Å; F403-E406 PolarHBondContact O-N 2.9Å; E406-M409 PolarHBondContact O-N 3.27Å; E406-R410 PolarHBondContact O-N 2.87Å; E406-R410 VanDerWaalsContact O-N 3.12Å
407	S	92.1	Very high	91.7	Very high	70 Å²	70	48.7 Å²	48.7	49%	0.49	23%	0.234	S	C	.	.	H	α-helix	trans	-60.1	-45.5	173.6	-172.2	0	0	0	0	111.5	F403 P404 F405 R410 Q411	F403-S407 WeakPolarHBondContact O-CB 3.44Å; F403-S407 PolarHBondContact O-N 3.44Å; P404-S407 WeakPolarHBondContact O-CB 3.44Å; P404-S407 PolarHBondContact O-N 3.16Å; F405-S407 VanDerWaalsContact C-N 3.29Å; F405-S407 PolarHBondContact O-N 2.97Å; S407-R410 WeakPolarHBondContact O-CB 3.39Å; S407-R410 PolarHBondContact O-N 3.18Å; S407-Q411 PolarHBondContact O-N 2.98Å
408	Y	94.1	Very high	90.7	Very high	21 Å²	21	51.6 Å²	51.6	8%	0.082	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-39.5	177.2	-170	-100.6	0	0	0	112.7	L100 V111 M113 P404 F405 R410 Q411 I412 Y430	L100-Y408 HydrophobicContact CD1-CD1 3.86Å; L100-Y408 HydrophobicContact CD2-CD1 3.68Å; L100-Y408 HydrophobicContact CD2-CE1 3.65Å; L100-Y408 HydrophobicContact CG-CD1 4.39Å; V111-Y408 HydrophobicContact CB-CD1 4.45Å; V111-Y408 HydrophobicContact CB-CD2 4.03Å; V111-Y408 HydrophobicContact CB-CG 3.85Å; V111-Y408 HydrophobicContact CG1-CD1 3.72Å; V111-Y408 HydrophobicContact CG1-CD2 4.18Å; V111-Y408 HydrophobicContact CG1-CE1 4.39Å; V111-Y408 HydrophobicContact CG1-CG 3.59Å; V111-Y408 WeakPolarHBondContact O-CD2 3.45Å; V111-Y408 WeakPolarHBondContact O-CE2 3.09Å; M113-Y408 HydrophobicContact CB-CE1 4.27Å; M113-Y408 HydrophobicContact CE-CE1 4.3Å; P404-Y408 PolarHBondContact O-N 3.31Å; F405-Y408 PolarHBondContact O-N 2.83Å; F405-Y408 VanDerWaalsContact O-N 3.17Å; Y408-R410 PolarHBondContact O-N 3.42Å; Y408-Q411 WeakPolarHBondContact O-CA 3.4Å; Y408-Q411 VanDerWaalsContact O-CB 3.25Å; Y408-Q411 WeakPolarHBondContact O-CB 3.34Å; Y408-Q411 PolarHBondContact O-N 2.8Å; Y408-I412 HydrophobicContact CD1-CD1 3.87Å; Y408-I412 HydrophobicContact CD1-CG1 4.05Å; Y408-I412 HydrophobicContact CE1-CD1 3.85Å; Y408-I412 HydrophobicContact CE1-CG1 3.91Å; Y408-I412 PolarHBondContact O-N 2.78Å; Y408-Y430 WeakPolarHBondContact OH-CD2 3.41Å; Y408-Y430 WeakPolarHBondContact OH-CE2 3.2Å
409	M	93.1	Very high	89.7	Confident	11 Å²	11	51.8 Å²	51.8	5%	0.054	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-30.7	174.6	-73.6	-179.9	-152.5	0	0	112.9	N82 D84 L86 P98 L100 F405 E406 Q411 I412 K413	N82-M409 WeakPolarHBondContact OD1-CE 3.41Å; D84-M409 HydrophobicContact CB-CE 3.5Å; D84-M409 VanDerWaalsContact CB-CE 3.5Å; D84-M409 HydrophobicContact CB-SD 4.33Å; L86-M409 HydrophobicContact CD1-CB 3.86Å; L86-M409 HydrophobicContact CD1-CG 4.41Å; L86-M409 HydrophobicContact CD1-SD 4.3Å; L86-M409 HydrophobicContact CD2-CB 4.18Å; L86-M409 HydrophobicContact CD2-CG 4.44Å; P98-M409 HydrophobicContact CG-CE 4.4Å; P98-M409 HydrophobicContact CG-CG 4.17Å; P98-M409 HydrophobicContact CG-SD 4.46Å; L100-M409 HydrophobicContact CD1-CE 4.02Å; L100-M409 HydrophobicContact CD1-CG 4.07Å; F405-M409 HydrophobicContact CB-CE 4.36Å; F405-M409 WeakPolarHBondContact O-CG 3.02Å; F405-M409 PolarHBondContact O-N 2.83Å; E406-M409 PolarHBondContact O-N 3.27Å; M409-Q411 VanDerWaalsContact C-N 3.32Å; M409-I412 PolarHBondContact O-N 3.24Å; M409-K413 PolarHBondContact O-N 2.92Å
410	R	89.8	Confident	88.9	Confident	157 Å²	157	58.4 Å²	58.4	59%	0.592	29%	0.288	S	S	*	.	H	α-helix	trans	-64.2	-38	170.3	-173.8	-177.9	177.5	-172.7	-2	111.7	E406 S407 Y408 K413 Q414	E406-R410 PolarHBondContact O-N 2.87Å; E406-R410 VanDerWaalsContact O-N 3.12Å; S407-R410 WeakPolarHBondContact O-CB 3.39Å; S407-R410 PolarHBondContact O-N 3.18Å; Y408-R410 PolarHBondContact O-N 3.42Å; R410-K413 WeakPolarHBondContact O-CB 3.41Å; R410-K413 PolarHBondContact O-N 3.19Å; R410-Q414 WeakPolarHBondContact O-CG 3.3Å; R410-Q414 PolarHBondContact O-N 2.85Å; R410-Q414 VanDerWaalsContact O-N 3.1Å
411	Q	89.4	Confident	88.2	Confident	96 Å²	96	60.4 Å²	60.4	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-65.7	-42.1	174.8	-54.3	-178.7	30.4	0	0	111	S407 Y408 M409 K413 Q414 S415	S407-Q411 PolarHBondContact O-N 2.98Å; Y408-Q411 WeakPolarHBondContact O-CA 3.4Å; Y408-Q411 VanDerWaalsContact O-CB 3.25Å; Y408-Q411 WeakPolarHBondContact O-CB 3.34Å; Y408-Q411 PolarHBondContact O-N 2.8Å; M409-Q411 VanDerWaalsContact C-N 3.32Å; Q411-K413 VanDerWaalsContact C-N 3.32Å; Q411-K413 PolarHBondContact O-N 2.68Å; Q411-Q414 PolarHBondContact O-N 3.07Å; Q411-Q414 VanDerWaalsContact O-N 3.13Å; Q411-S415 PolarHBondContact O-N 3.47Å
412	I	90.1	Very high	87.7	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-56	-47.6	173.2	-59.3	175.3	0	0	0	110.6	L86 P98 L100 M113 I116 Y408 M409 Q414 S415 A426	L86-I412 HydrophobicContact CD2-CB 4.2Å; L86-I412 HydrophobicContact CD2-CG2 4.03Å; P98-I412 HydrophobicContact CB-CD1 3.94Å; P98-I412 HydrophobicContact CG-CD1 4.24Å; L100-I412 HydrophobicContact CD2-CD1 4.1Å; M113-I412 HydrophobicContact CE-CD1 3.53Å; M113-I412 HydrophobicContact CE-CG1 3.59Å; M113-I412 HydrophobicContact CE-CG2 4.3Å; I116-I412 HydrophobicContact CD1-CG2 4.06Å; Y408-I412 HydrophobicContact CD1-CD1 3.87Å; Y408-I412 HydrophobicContact CD1-CG1 4.05Å; Y408-I412 HydrophobicContact CE1-CD1 3.85Å; Y408-I412 HydrophobicContact CE1-CG1 3.91Å; Y408-I412 PolarHBondContact O-N 2.78Å; M409-I412 PolarHBondContact O-N 3.24Å; I412-Q414 VanDerWaalsContact C-N 3.29Å; I412-Q414 PolarHBondContact O-N 3.2Å; I412-S415 PolarHBondContact O-N 2.88Å; I412-S415 PolarHBondContact O-OG 2.82Å; I412-A426 HydrophobicContact CG2-CB 3.85Å
413	K	87.4	Confident	87.4	Confident	79 Å²	79	60.1 Å²	60.1	34%	0.343	30%	0.3	S	S	.	.	H	α-helix	trans	-58.4	-40.9	177.2	-83.9	174	161.9	166.9	0	113.1	L86 S87 M88 M409 R410 Q411 S415 V416	L86-K413 HydrophobicContact CD1-CD 3.74Å; L86-K413 HydrophobicContact CD1-CG 4.05Å; L86-K413 HydrophobicContact CD2-CG 4.08Å; L86-K413 HydrophobicContact CG-CD 4.35Å; L86-K413 HydrophobicContact CG-CG 4.17Å; S87-K413 WeakPolarHBondContact O-CE 3.28Å; S87-K413 PolarHBondContact O-NZ 2.8Å; M88-K413 HydrophobicContact SD-CG 3.99Å; M409-K413 PolarHBondContact O-N 2.92Å; R410-K413 WeakPolarHBondContact O-CB 3.41Å; R410-K413 PolarHBondContact O-N 3.19Å; Q411-K413 VanDerWaalsContact C-N 3.32Å; Q411-K413 PolarHBondContact O-N 2.68Å; K413-S415 VanDerWaalsContact C-N 3.32Å; K413-V416 PolarHBondContact O-N 3.26Å
414	Q	85.4	Confident	87.2	Confident	91 Å²	91	62.9 Å²	62.9	43%	0.425	31%	0.312	S	S	.	.	H	α-helix	trans	-73.3	-23.7	-179	-70.9	175.1	-11.2	0	0	113.1	Y8 R410 Q411 I412 V416	Y8-Q414 VanDerWaalsContact OH-CB 3.25Å; Y8-Q414 WeakPolarHBondContact OH-CB 3.27Å; Y8-Q414 PolarHBondContact OH-OE1 2.8Å; R410-Q414 WeakPolarHBondContact O-CG 3.3Å; R410-Q414 PolarHBondContact O-N 2.85Å; R410-Q414 VanDerWaalsContact O-N 3.1Å; Q411-Q414 PolarHBondContact O-N 3.07Å; Q411-Q414 VanDerWaalsContact O-N 3.13Å; I412-Q414 VanDerWaalsContact C-N 3.29Å; I412-Q414 PolarHBondContact O-N 3.2Å; Q414-V416 VanDerWaalsContact C-N 3.31Å
415	S	81.2	Confident	86.9	Confident	31 Å²	31	63.3 Å²	63.3	22%	0.217	31%	0.311	C	S	.	.	H	α-helix	trans	-75.5	-21.4	177.7	80.9	0	0	0	0	112.9	Q411 I412 K413	Q411-S415 PolarHBondContact O-N 3.47Å; I412-S415 PolarHBondContact O-N 2.88Å; I412-S415 PolarHBondContact O-OG 2.82Å; K413-S415 VanDerWaalsContact C-N 3.32Å
416	V	83	Confident	86.6	Confident	18 Å²	18	63.2 Å²	63.2	11%	0.109	31%	0.311	C	S	.	.			trans	-82.5	129.2	176.7	-179.8	0	0	0	0	110.7	M88 K413 Q414 S418 V422 Q425 A426	M88-V416 HydrophobicContact CE-CB 3.7Å; M88-V416 HydrophobicContact CE-CG1 3.8Å; M88-V416 HydrophobicContact CE-CG2 4.01Å; K413-V416 PolarHBondContact O-N 3.26Å; Q414-V416 VanDerWaalsContact C-N 3.31Å; V416-S418 WeakPolarHBondContact CG1-O 3.35Å; V416-V422 HydrophobicContact CB-CG1 4.4Å; V416-V422 HydrophobicContact CG1-CB 4.41Å; V416-V422 HydrophobicContact CG1-CG1 3.9Å; V416-V422 HydrophobicContact CG1-CG2 4.33Å; V416-V422 HydrophobicContact CG2-CG1 3.75Å; V416-Q425 HydrophobicContact CG2-CB 4.46Å; V416-A426 HydrophobicContact CG2-CB 4.22Å
417	R	76.9	Confident	86.5	Confident	166 Å²	166	59.1 Å²	59.1	63%	0.626	29%	0.292	S	S	*	.			trans	-104.5	-20.1	-176.4	-64.3	-173.3	177.8	-174.6	-1.1	114.6
418	S	76.1	Confident	86.4	Confident	61 Å²	61	57.3 Å²	57.3	43%	0.427	28%	0.275	S	S	.	.	S	Bend	trans	-142.3	159.5	177.2	73.3	0	0	0	0	111.3	V416 Y420 Q425	V416-S418 WeakPolarHBondContact CG1-O 3.35Å; S418-Y420 PolarHBondContact O-N 3.4Å; S418-Q425 PolarHBondContact O-NE2 3.45Å; S418-Q425 PolarHBondContact OG-NE2 3.44Å
419	G	74.3	Confident	86.1	Confident	55 Å²	55	60.5 Å²	60.5	57%	0.567	29%	0.287	S	S	*	.	S	Bend	trans	-72.4	-0.6	177.8	0	0	0	0	0	115.1	V422	G419-V422 WeakPolarHBondContact O-CG2 3.44Å
420	Y	77.7	Confident	85.9	Confident	185 Å²	185	60.4 Å²	60.4	73%	0.725	29%	0.286	S	S	*	.	S	Bend	trans	-95.3	133.6	-177.6	178.3	-100.9	0	0	0	111.5	S418 V422 Q425	S418-Y420 PolarHBondContact O-N 3.4Å; Y420-V422 PolarHBondContact O-N 3.21Å; Y420-Q425 PolarHBondContact O-NE2 3.46Å
421	S	82.2	Confident	85.9	Confident	42 Å²	42	54 Å²	54	29%	0.294	27%	0.267	S	S	.	.	S	Bend	trans	47.6	46.5	179.1	-60	0	0	0	0	113.3	A423 K424 Q425	S421-A423 VanDerWaalsContact C-N 3.34Å; S421-A423 PolarHBondContact O-N 3.03Å; S421-K424 WeakPolarHBondContact O-CB 3.46Å; S421-K424 PolarHBondContact O-N 3.49Å; S421-K424 VanDerWaalsContact O-N 3.08Å; S421-Q425 PolarHBondContact O-N 3.08Å
422	V	88.4	Confident	85.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-54.8	-46.6	-172.1	177.9	0	0	0	0	112	M88 Q94 L96 V416 G419 Y420 K424 Q425 A426	M88-V422 HydrophobicContact CE-CG1 3.95Å; M88-V422 HydrophobicContact CG-CG1 3.56Å; M88-V422 HydrophobicContact CG-CG2 4.42Å; M88-V422 HydrophobicContact SD-CG1 3.64Å; Q94-V422 HydrophobicContact CB-CG2 4.29Å; Q94-V422 HydrophobicContact CG-CG2 4.26Å; L96-V422 HydrophobicContact CD1-CG1 3.49Å; L96-V422 VanDerWaalsContact CD1-CG1 3.49Å; L96-V422 HydrophobicContact CD2-CB 4.1Å; L96-V422 HydrophobicContact CD2-CG1 3.69Å; L96-V422 HydrophobicContact CG-CG1 3.75Å; V416-V422 HydrophobicContact CB-CG1 4.4Å; V416-V422 HydrophobicContact CG1-CB 4.41Å; V416-V422 HydrophobicContact CG1-CG1 3.9Å; V416-V422 HydrophobicContact CG1-CG2 4.33Å; V416-V422 HydrophobicContact CG2-CG1 3.75Å; G419-V422 WeakPolarHBondContact O-CG2 3.44Å; Y420-V422 PolarHBondContact O-N 3.21Å; V422-K424 VanDerWaalsContact C-N 3.33Å; V422-K424 PolarHBondContact O-N 2.9Å; V422-Q425 WeakPolarHBondContact O-CB 3.26Å; V422-Q425 PolarHBondContact O-N 3.31Å; V422-A426 PolarHBondContact O-N 2.94Å
423	A	90.7	Very high	85.3	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.033	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-39.9	179.4	0	0	0	0	0	112.2	Y53 L96 I116 S421 Q425 A426 A427	Y53-A423 HydrophobicContact CD2-CB 3.93Å; Y53-A423 HydrophobicContact CE2-CB 3.99Å; L96-A423 HydrophobicContact CD2-CB 3.71Å; I116-A423 HydrophobicContact CG1-CB 4.47Å; I116-A423 HydrophobicContact CG2-CB 4.4Å; S421-A423 VanDerWaalsContact C-N 3.34Å; S421-A423 PolarHBondContact O-N 3.03Å; A423-Q425 PolarHBondContact O-N 3.11Å; A423-A426 PolarHBondContact O-N 2.89Å; A423-A427 VanDerWaalsContact O-CB 3.24Å; A423-A427 WeakPolarHBondContact O-CB 3.35Å; A423-A427 PolarHBondContact O-N 2.87Å
424	K	91.3	Very high	85.2	Confident	108 Å²	108	51.3 Å²	51.3	47%	0.47	26%	0.256	S	S	.	.	H	α-helix	trans	-60.8	-45.1	174.7	-170.4	179.3	177.1	175.2	0	111.3	Y53 S421 V422 Q428	Y53-K424 HydrophobicContact CE1-CB 4.32Å; Y53-K424 HydrophobicContact CE1-CG 4.16Å; Y53-K424 HydrophobicContact CE2-CB 3.97Å; Y53-K424 WeakPolarHBondContact OH-CB 3.43Å; S421-K424 WeakPolarHBondContact O-CB 3.46Å; S421-K424 PolarHBondContact O-N 3.49Å; S421-K424 VanDerWaalsContact O-N 3.08Å; V422-K424 VanDerWaalsContact C-N 3.33Å; V422-K424 PolarHBondContact O-N 2.9Å; K424-Q428 WeakPolarHBondContact O-CB 3.34Å; K424-Q428 PolarHBondContact O-N 3.42Å
425	Q	89.1	Confident	85	Confident	41 Å²	41	48.4 Å²	48.4	19%	0.192	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-52.6	178.1	-70.8	-175.9	56.3	0	0	110.5	V416 S418 Y420 S421 V422 A423 A427 Q428 R429	V416-Q425 HydrophobicContact CG2-CB 4.46Å; S418-Q425 PolarHBondContact O-NE2 3.45Å; S418-Q425 PolarHBondContact OG-NE2 3.44Å; Y420-Q425 PolarHBondContact O-NE2 3.46Å; S421-Q425 PolarHBondContact O-N 3.08Å; V422-Q425 WeakPolarHBondContact O-CB 3.26Å; V422-Q425 PolarHBondContact O-N 3.31Å; A423-Q425 PolarHBondContact O-N 3.11Å; Q425-A427 PolarHBondContact O-N 3.34Å; Q425-Q428 PolarHBondContact O-N 3.06Å; Q425-R429 WeakPolarHBondContact O-CB 3.14Å; Q425-R429 VanDerWaalsContact O-CG 3.26Å; Q425-R429 WeakPolarHBondContact O-CG 3.29Å; Q425-R429 PolarHBondContact O-N 3.15Å
426	A	90.8	Very high	84.9	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-48.6	179.8	0	0	0	0	0	112.3	I116 I412 V416 V422 A423 Q428 R429 Y430	I116-A426 HydrophobicContact CD1-CB 3.82Å; I412-A426 HydrophobicContact CG2-CB 3.85Å; V416-A426 HydrophobicContact CG2-CB 4.22Å; V422-A426 PolarHBondContact O-N 2.94Å; A423-A426 PolarHBondContact O-N 2.89Å; A426-Q428 PolarHBondContact O-N 2.95Å; A426-R429 PolarHBondContact O-N 2.81Å; A426-Y430 PolarHBondContact O-N 3.5Å
427	A	92.5	Very high	84.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-45.4	178.2	0	0	0	0	0	112	V42 Y53 L55 I116 A423 Q425 Y430 A431	V42-A427 HydrophobicContact CB-CB 4.34Å; V42-A427 HydrophobicContact CG1-CB 4.3Å; V42-A427 HydrophobicContact CG2-CB 3.85Å; Y53-A427 HydrophobicContact CD1-CB 4.31Å; Y53-A427 HydrophobicContact CD2-CB 4.4Å; Y53-A427 HydrophobicContact CG-CB 3.86Å; L55-A427 HydrophobicContact CD2-CB 4.19Å; I116-A427 HydrophobicContact CG2-CB 3.84Å; A423-A427 VanDerWaalsContact O-CB 3.24Å; A423-A427 WeakPolarHBondContact O-CB 3.35Å; A423-A427 PolarHBondContact O-N 2.87Å; Q425-A427 PolarHBondContact O-N 3.34Å; A427-Y430 PolarHBondContact O-N 3.43Å; A427-A431 PolarHBondContact O-N 2.96Å
428	Q	90.3	Very high	84.6	Confident	31 Å²	31	46.4 Å²	46.4	15%	0.145	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-39.5	179.7	-171.4	62.4	50.1	0	0	111.9	T40 V42 K424 Q425 A426 Y430 A431 E432	T40-Q428 PolarHBondContact O-NE2 2.89Å; V42-Q428 HydrophobicContact CG2-CB 4.19Å; V42-Q428 VanDerWaalsContact N-OE1 3.08Å; K424-Q428 WeakPolarHBondContact O-CB 3.34Å; K424-Q428 PolarHBondContact O-N 3.42Å; Q425-Q428 PolarHBondContact O-N 3.06Å; A426-Q428 PolarHBondContact O-N 2.95Å; Q428-Y430 VanDerWaalsContact C-N 3.33Å; Q428-A431 PolarHBondContact O-N 2.77Å; Q428-E432 WeakPolarHBondContact CG-OE1 3.34Å; Q428-E432 WeakPolarHBondContact O-CB 3.36Å; Q428-E432 VanDerWaalsContact O-CG 3.3Å; Q428-E432 WeakPolarHBondContact O-CG 3.49Å; Q428-E432 PolarHBondContact O-N 3.04Å
429	R	88.2	Confident	84.4	Confident	88 Å²	88	49.1 Å²	49.1	33%	0.332	24%	0.243	S	C	.	.	H	α-helix	trans	-62.2	-41.8	174.7	-71.8	-55.1	95.8	156.9	3.6	111.8	Q425 A426 E432 Q433	Q425-R429 WeakPolarHBondContact O-CB 3.14Å; Q425-R429 VanDerWaalsContact O-CG 3.26Å; Q425-R429 WeakPolarHBondContact O-CG 3.29Å; Q425-R429 PolarHBondContact O-N 3.15Å; A426-R429 PolarHBondContact O-N 2.81Å; R429-E432 VanDerWaalsContact CZ-CD 3.48Å; R429-E432 IonicContact CZ-OE1 2.62Å; R429-E432 IonicContact CZ-OE2 3.68Å; R429-E432 IonicContact NE-OE1 2.82Å; R429-E432 IonicContact NE-OE2 3.63Å; R429-E432 PolarHBondContact NE-OE2 2.87Å; R429-E432 VanDerWaalsContact NE-OE2 3.09Å; R429-E432 IonicContact NH1-OE2 3.31Å; R429-E432 PolarHBondContact NH1-OE2 3.46Å; R429-E432 IonicContact NH2-OE1 3.91Å; R429-E432 PolarHBondContact NH2-OE1 3.25Å; R429-E432 IonicContact NH2-OE2 2.7Å; R429-E432 PolarHBondContact NH2-OE2 3.06Å; R429-E432 PolarHBondContact O-N 3.17Å; R429-Q433 PolarHBondContact O-N 2.86Å
430	Y	90.1	Very high	84.3	Confident	9 Å²	9	50.9 Å²	50.9	4%	0.035	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-48	175.5	-177.7	-93.4	0	0	0	111.7	L55 N60 F112 M113 Y408 A426 A427 Q428 E432 Q433 M434	L55-Y430 HydrophobicContact CB-CD1 4.37Å; L55-Y430 HydrophobicContact CB-CE1 4.37Å; L55-Y430 HydrophobicContact CD1-CD1 3.59Å; L55-Y430 HydrophobicContact CD1-CE1 4.16Å; L55-Y430 HydrophobicContact CD1-CG 4.09Å; L55-Y430 HydrophobicContact CD2-CD1 4.25Å; L55-Y430 HydrophobicContact CG-CD1 4.28Å; N60-Y430 VanDerWaalsContact CG-OH 3.29Å; N60-Y430 PolarHBondContact ND2-OH 3.4Å; N60-Y430 PolarHBondContact OD1-OH 2.72Å; F112-Y430 WeakPolarHBondContact CB-OH 3.47Å; M113-Y430 HydrophobicContact CB-CD1 4.28Å; M113-Y430 HydrophobicContact CB-CD2 3.76Å; M113-Y430 HydrophobicContact CB-CE1 4.26Å; M113-Y430 HydrophobicContact CB-CE2 3.75Å; M113-Y430 HydrophobicContact CB-CG 4.01Å; M113-Y430 PolarHBondContact N-OH 3.16Å; M113-Y430 WeakPolarHBondContact O-CE1 3.4Å; Y408-Y430 WeakPolarHBondContact OH-CD2 3.41Å; Y408-Y430 WeakPolarHBondContact OH-CE2 3.2Å; A426-Y430 PolarHBondContact O-N 3.5Å; A427-Y430 PolarHBondContact O-N 3.43Å; Q428-Y430 VanDerWaalsContact C-N 3.33Å; Y430-E432 VanDerWaalsContact C-N 3.3Å; Y430-E432 PolarHBondContact O-N 3.49Å; Y430-Q433 WeakPolarHBondContact O-CB 3.47Å; Y430-Q433 PolarHBondContact O-N 2.71Å; Y430-Q433 VanDerWaalsContact O-N 3.16Å; Y430-M434 HydrophobicContact CD1-CG 3.88Å; Y430-M434 HydrophobicContact CD2-CE 4.39Å; Y430-M434 HydrophobicContact CE1-CG 3.42Å; Y430-M434 VanDerWaalsContact CE1-CG 3.42Å; Y430-M434 HydrophobicContact CE1-SD 4.21Å; Y430-M434 HydrophobicContact CE2-CE 3.85Å; Y430-M434 HydrophobicContact CE2-CG 4.16Å; Y430-M434 HydrophobicContact CE2-SD 4.17Å; Y430-M434 HydrophobicContact CG-CG 4.45Å; Y430-M434 WeakPolarHBondContact O-CG 3.42Å; Y430-M434 PolarHBondContact O-N 2.93Å
431	A	88.1	Confident	83.9	Confident	22 Å²	22	49.4 Å²	49.4	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-40.1	178.2	0	0	0	0	0	112.5	V42 A427 Q428 M434 S435	V42-A431 HydrophobicContact CG1-CB 3.61Å; A427-A431 PolarHBondContact O-N 2.96Å; Q428-A431 PolarHBondContact O-N 2.77Å; A431-M434 PolarHBondContact O-N 2.84Å; A431-S435 WeakPolarHBondContact O-CB 3.28Å; A431-S435 PolarHBondContact O-N 3.28Å
432	E	84.8	Confident	83	Confident	21 Å²	21	51.5 Å²	51.5	10%	0.098	25%	0.25	C	C	.	.	H	α-helix	trans	-62.5	-46	174.2	-75.1	166.1	-157.8	0	0	112.4	L36 C39 Q428 R429 Y430 M434 S435 F436	L36-E432 HydrophobicContact CD2-CB 4.44Å; L36-E432 HydrophobicContact CD2-CG 4.39Å; C39-E432 HydrophobicContact CB-CG 3.96Å; Q428-E432 WeakPolarHBondContact CG-OE1 3.34Å; Q428-E432 WeakPolarHBondContact O-CB 3.36Å; Q428-E432 VanDerWaalsContact O-CG 3.3Å; Q428-E432 WeakPolarHBondContact O-CG 3.49Å; Q428-E432 PolarHBondContact O-N 3.04Å; R429-E432 VanDerWaalsContact CZ-CD 3.48Å; R429-E432 IonicContact CZ-OE1 2.62Å; R429-E432 IonicContact CZ-OE2 3.68Å; R429-E432 IonicContact NE-OE1 2.82Å; R429-E432 IonicContact NE-OE2 3.63Å; R429-E432 PolarHBondContact NE-OE2 2.87Å; R429-E432 VanDerWaalsContact NE-OE2 3.09Å; R429-E432 IonicContact NH1-OE2 3.31Å; R429-E432 PolarHBondContact NH1-OE2 3.46Å; R429-E432 IonicContact NH2-OE1 3.91Å; R429-E432 PolarHBondContact NH2-OE1 3.25Å; R429-E432 IonicContact NH2-OE2 2.7Å; R429-E432 PolarHBondContact NH2-OE2 3.06Å; R429-E432 PolarHBondContact O-N 3.17Å; Y430-E432 VanDerWaalsContact C-N 3.3Å; Y430-E432 PolarHBondContact O-N 3.49Å; E432-M434 VanDerWaalsContact C-N 3.35Å; E432-M434 PolarHBondContact O-N 3.38Å; E432-S435 PolarHBondContact O-N 2.93Å; E432-F436 PolarHBondContact O-N 2.85Å
433	Q	83.3	Confident	81.6	Confident	84 Å²	84	54 Å²	54	39%	0.393	26%	0.263	S	S	.	.	H	α-helix	trans	-59.4	-47.5	177.2	-175.3	-177.2	-9.4	0	0	110.8	R429 Y430 F436 C437 I444	R429-Q433 PolarHBondContact O-N 2.86Å; Y430-Q433 WeakPolarHBondContact O-CB 3.47Å; Y430-Q433 PolarHBondContact O-N 2.71Å; Y430-Q433 VanDerWaalsContact O-N 3.16Å; Q433-F436 PolarHBondContact O-N 3.05Å; Q433-C437 PolarHBondContact O-N 2.76Å; Q433-C437 VanDerWaalsContact O-N 3.1Å; Q433-C437 PolarHBondContact O-SG 2.91Å; Q433-I444 HydrophobicContact CG-CD1 4.1Å
434	M	84.8	Confident	79.8	Confident	20 Å²	20	56.9 Å²	56.9	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-65.1	-44.7	-179.9	-66.2	-56.5	104.8	0	0	112.4	Y430 A431 E432 F436 C437 D438 I444	Y430-M434 HydrophobicContact CD1-CG 3.88Å; Y430-M434 HydrophobicContact CD2-CE 4.39Å; Y430-M434 HydrophobicContact CE1-CG 3.42Å; Y430-M434 VanDerWaalsContact CE1-CG 3.42Å; Y430-M434 HydrophobicContact CE1-SD 4.21Å; Y430-M434 HydrophobicContact CE2-CE 3.85Å; Y430-M434 HydrophobicContact CE2-CG 4.16Å; Y430-M434 HydrophobicContact CE2-SD 4.17Å; Y430-M434 HydrophobicContact CG-CG 4.45Å; Y430-M434 WeakPolarHBondContact O-CG 3.42Å; Y430-M434 PolarHBondContact O-N 2.93Å; A431-M434 PolarHBondContact O-N 2.84Å; E432-M434 VanDerWaalsContact C-N 3.35Å; E432-M434 PolarHBondContact O-N 3.38Å; M434-F436 PolarHBondContact O-N 3.45Å; M434-C437 PolarHBondContact O-N 2.73Å; M434-D438 VanDerWaalsContact O-CG 3.25Å; M434-D438 PolarHBondContact O-N 3.12Å; M434-I444 HydrophobicContact CE-CD1 3.87Å
435	S	81.7	Confident	78	Confident	29 Å²	29	52.6 Å²	52.6	20%	0.203	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-33.1	175.7	173.4	0	0	0	0	112.6	C39 A431 E432 R439	C39-S435 VanDerWaalsContact SG-CB 3.56Å; C39-S435 PolarHBondContact SG-OG 3.39Å; A431-S435 WeakPolarHBondContact O-CB 3.28Å; A431-S435 PolarHBondContact O-N 3.28Å; E432-S435 PolarHBondContact O-N 2.93Å; S435-R439 WeakPolarHBondContact O-CG 3.48Å; S435-R439 PolarHBondContact O-N 3.09Å; S435-R439 PolarHBondContact O-NE 3.33Å; S435-R439 VanDerWaalsContact O-NE 3.16Å; S435-R439 PolarHBondContact OG-NH2 2.77Å
436	F	78.3	Confident	76.2	Confident	76 Å²	76	56 Å²	56	33%	0.333	28%	0.284	S	S	.	.	H	α-helix	trans	-71.4	-39.5	175.4	-170.2	-98.1	0	0	0	112	M4 E432 Q433 M434 R439 L440	M4-F436 HydrophobicContact CE-CD1 4.11Å; M4-F436 HydrophobicContact CE-CE1 3.3Å; M4-F436 HydrophobicContact CE-CZ 3.96Å; E432-F436 PolarHBondContact O-N 2.85Å; Q433-F436 PolarHBondContact O-N 3.05Å; M434-F436 PolarHBondContact O-N 3.45Å; F436-R439 PolarHBondContact O-N 3.33Å; F436-L440 HydrophobicContact CD1-CD1 3.88Å; F436-L440 HydrophobicContact CD1-CG 4.26Å; F436-L440 HydrophobicContact CE1-CD1 3.13Å; F436-L440 HydrophobicContact CE1-CG 3.81Å; F436-L440 HydrophobicContact CZ-CD1 3.58Å; F436-L440 HydrophobicContact CZ-CD2 4.4Å; F436-L440 HydrophobicContact CZ-CG 4.02Å; F436-L440 PolarHBondContact O-N 2.72Å; F436-L440 VanDerWaalsContact O-N 3.08Å
437	C	76.2	Confident	74.2	Confident	22 Å²	22	58.7 Å²	58.7	15%	0.149	30%	0.299	C	S	.	.	H	α-helix	trans	-67.9	-41.4	178.5	-60.2	0	0	0	0	111.9	Q433 M434 R439 L440 Q441 I444	Q433-C437 PolarHBondContact O-N 2.76Å; Q433-C437 VanDerWaalsContact O-N 3.1Å; Q433-C437 PolarHBondContact O-SG 2.91Å; M434-C437 PolarHBondContact O-N 2.73Å; C437-R439 VanDerWaalsContact C-N 3.25Å; C437-R439 PolarHBondContact O-N 2.96Å; C437-L440 PolarHBondContact O-N 3.21Å; C437-L440 VanDerWaalsContact O-N 3.15Å; C437-Q441 PolarHBondContact O-N 3.39Å; C437-I444 HydrophobicContact CB-CD1 4.31Å; C437-I444 HydrophobicContact CB-CG1 4.37Å; C437-I444 WeakPolarHBondContact SG-CD1 3.17Å; C437-I444 WeakPolarHBondContact SG-CG1 3.27Å
438	D	77	Confident	72.1	Confident	76 Å²	76	64.5 Å²	64.5	41%	0.406	33%	0.33	S	S	.	.	H	α-helix	trans	-57.6	-40.3	174.7	-65	-21.2	0	0	0	111.2	R63 M434	R63-D438 WeakPolarHBondContact CD-OD1 3.07Å; R63-D438 IonicContact CZ-OD1 3.83Å; R63-D438 IonicContact CZ-OD2 2.94Å; R63-D438 IonicContact NE-OD1 3.72Å; R63-D438 PolarHBondContact NE-OD1 3.36Å; R63-D438 IonicContact NE-OD2 2.95Å; R63-D438 PolarHBondContact NE-OD2 3.43Å; R63-D438 IonicContact NH2-OD1 2.67Å; R63-D438 IonicContact NH2-OD2 2.95Å; R63-D438 PolarHBondContact NH2-OD2 3.46Å; M434-D438 VanDerWaalsContact O-CG 3.25Å; M434-D438 PolarHBondContact O-N 3.12Å
439	R	73.6	Confident	70.2	Confident	117 Å²	117	69.8 Å²	69.8	44%	0.442	36%	0.359	S	S	.	.	H	α-helix	trans	-70.1	-34.2	177.6	-78.4	-176.7	-77.5	-167.9	-3.7	113.7	T38 S435 F436 C437	T38-R439 PolarHBondContact OG1-NH1 2.91Å; S435-R439 WeakPolarHBondContact O-CG 3.48Å; S435-R439 PolarHBondContact O-N 3.09Å; S435-R439 PolarHBondContact O-NE 3.33Å; S435-R439 VanDerWaalsContact O-NE 3.16Å; S435-R439 PolarHBondContact OG-NH2 2.77Å; F436-R439 PolarHBondContact O-N 3.33Å; C437-R439 VanDerWaalsContact C-N 3.25Å; C437-R439 PolarHBondContact O-N 2.96Å
440	L	71.4	Confident	68.7	Low	92 Å²	92	68.5 Å²	68.5	48%	0.482	36%	0.362	S	S	.	.	H	α-helix	trans	-86.1	-16.1	179.5	-69.3	-168.2	0	0	0	113.6	F436 C437 V442	F436-L440 HydrophobicContact CD1-CD1 3.88Å; F436-L440 HydrophobicContact CD1-CG 4.26Å; F436-L440 HydrophobicContact CE1-CD1 3.13Å; F436-L440 HydrophobicContact CE1-CG 3.81Å; F436-L440 HydrophobicContact CZ-CD1 3.58Å; F436-L440 HydrophobicContact CZ-CD2 4.4Å; F436-L440 HydrophobicContact CZ-CG 4.02Å; F436-L440 PolarHBondContact O-N 2.72Å; F436-L440 VanDerWaalsContact O-N 3.08Å; C437-L440 PolarHBondContact O-N 3.21Å; C437-L440 VanDerWaalsContact O-N 3.15Å; L440-V442 HydrophobicContact CB-CB 4.12Å; L440-V442 HydrophobicContact CB-CG2 3.81Å; L440-V442 PolarHBondContact O-N 3.46Å
441	Q	68.6	Low	67.5	Low	154 Å²	154	70.9 Å²	70.9	72%	0.72	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	33.8	-169.9	-55.6	-178	3.8	0	0	112.6	C437	C437-Q441 PolarHBondContact O-N 3.39Å
442	V	64.3	Low	66.8	Low	86 Å²	86	73.5 Å²	73.5	52%	0.521	39%	0.388	S	S	.	.			trans	-103.6	137.3	-177.9	170	0	0	0	0	109.5	L440	L440-V442 HydrophobicContact CB-CB 4.12Å; L440-V442 HydrophobicContact CB-CG2 3.81Å; L440-V442 PolarHBondContact O-N 3.46Å
443	D	58	Low	66.4	Low	52 Å²	52	74 Å²	74	28%	0.278	40%	0.398	S	S	.	.			trans	-69.8	129.1	166.6	-150.9	-17.8	0	0	0	109.8	L67 S445	L67-D443 HydrophobicContact CD2-CB 3.55Å; D443-S445 WeakPolarHBondContact OD1-CA 3.36Å; D443-S445 WeakPolarHBondContact OD1-CB 3.43Å; D443-S445 PolarHBondContact OD1-N 3.27Å; D443-S445 PolarHBondContact OD1-OG 3.38Å; D443-S445 WeakPolarHBondContact OD2-CB 3.3Å; D443-S445 PolarHBondContact OD2-OG 2.68Å
444	I	54.3	Low	66.3	Low	66 Å²	66	76.3 Å²	76.3	34%	0.338	41%	0.411	S	S	.	.			trans	-80.7	-12.2	164.1	-47.9	171.5	0	0	0	110	Q433 M434 C437 T446	Q433-I444 HydrophobicContact CG-CD1 4.1Å; M434-I444 HydrophobicContact CE-CD1 3.87Å; C437-I444 HydrophobicContact CB-CD1 4.31Å; C437-I444 HydrophobicContact CB-CG1 4.37Å; C437-I444 WeakPolarHBondContact SG-CD1 3.17Å; C437-I444 WeakPolarHBondContact SG-CG1 3.27Å; I444-T446 PolarHBondContact O-N 3.15Å
445	S	53.3	Low	66.2	Low	17 Å²	17	77 Å²	77	12%	0.119	42%	0.419	C	S	.	.			trans	-51.7	112.7	-174.9	81.8	0	0	0	0	109.9	D110 D443 N447	D110-S445 WeakPolarHBondContact OD2-CA 3.23Å; D443-S445 WeakPolarHBondContact OD1-CA 3.36Å; D443-S445 WeakPolarHBondContact OD1-CB 3.43Å; D443-S445 PolarHBondContact OD1-N 3.27Å; D443-S445 PolarHBondContact OD1-OG 3.38Å; D443-S445 WeakPolarHBondContact OD2-CB 3.3Å; D443-S445 PolarHBondContact OD2-OG 2.68Å; S445-N447 PolarHBondContact O-N 3Å
446	T	49.7	Very low	66.4	Low	112 Å²	112	77.6 Å²	77.6	69%	0.687	42%	0.42	S	S	*	.			trans	-78.5	-9.6	176.6	53.3	0	0	0	0	111.4	D110 I444 D448	D110-T446 PolarHBondContact OD1-OG1 3.42Å; D110-T446 PolarHBondContact OD2-N 3.4Å; D110-T446 PolarHBondContact OD2-OG1 2.77Å; I444-T446 PolarHBondContact O-N 3.15Å; T446-D448 PolarHBondContact O-N 3.13Å
447	N	49.3	Very low	66.4	Low	58 Å²	58	75 Å²	75	31%	0.31	41%	0.411	S	S	.	.			trans	-96.1	58.9	179	-70	-53.1	0	0	0	111	D110 S445	D110-N447 PolarHBondContact OD1-ND2 3.39Å; S445-N447 PolarHBondContact O-N 3Å
448	D	47.8	Very low	66.7	Low	122 Å²	122	84.8 Å²	84.8	65%	0.652	45%	0.445	S	S	*	.			trans	-55.3	153	152.5	-88.9	-36.4	0	0	0	109	T446	T446-D448 PolarHBondContact O-N 3.13Å
449	N	52	Low	67.3	Low	142 Å²	142	87.9 Å²	87.9	76%	0.759	46%	0.455	S	S	*	.	S	Bend	trans	-38.5	142.1	175.6	-73.5	-46.5	0	0	0	111.4	V451	N449-V451 PolarHBondContact O-N 2.76Å
450	P	56.3	Low	68.4	Low	62 Å²	62	84.2 Å²	84.2	40%	0.403	44%	0.443	S	S	.	.			trans	-49	106.3	-178.3	16.8	-29.3	0	0	0	109.5	I452	P450-I452 WeakPolarHBondContact O-CG1 3.2Å; P450-I452 PolarHBondContact O-N 2.83Å
451	V	64.1	Low	69.4	Low	58 Å²	58	80.9 Å²	80.9	35%	0.352	43%	0.426	S	S	.	.			trans	-65.3	111.7	-177.8	177.8	0	0	0	0	106.1	N449 M454 M463	N449-V451 PolarHBondContact O-N 2.76Å; V451-M454 HydrophobicContact CG1-CB 3.99Å; V451-M454 HydrophobicContact CG1-CG 3.55Å; V451-M454 HydrophobicContact CG1-SD 3.45Å; V451-M454 WeakPolarHBondContact CG1-SD 3.32Å; V451-M463 HydrophobicContact CB-CB 4.42Å; V451-M463 HydrophobicContact CG1-CB 4.1Å; V451-M463 HydrophobicContact CG1-CG 4.32Å; V451-M463 CarbonylContact O-C 3.44Å; V451-M463 WeakPolarHBondContact O-CB 3.28Å
452	I	73.1	Confident	70.6	Confident	78 Å²	78	73.5 Å²	73.5	40%	0.4	39%	0.392	S	S	.	.			trans	-113.2	129.7	179.4	-67.7	167.2	0	0	0	107.7	P450 R465 I534	P450-I452 WeakPolarHBondContact O-CG1 3.2Å; P450-I452 PolarHBondContact O-N 2.83Å; I452-R465 HydrophobicContact CD1-CG 4.01Å; I452-R465 HydrophobicContact CG1-CG 4.27Å; I452-I534 HydrophobicContact CG2-CB 4.37Å; I452-I534 HydrophobicContact CG2-CG1 3.74Å; I452-I534 HydrophobicContact CG2-CG2 3.68Å
453	G	78.1	Confident	72	Confident	30 Å²	30	71.9 Å²	71.9	31%	0.309	38%	0.379	S	S	.	.			trans	93	-2.5	167.6	0	0	0	0	0	116	A455 M463	G453-A455 PolarHBondContact O-N 3.29Å; G453-M463 PolarHBondContact N-O 3.35Å
454	M	80.7	Confident	73.6	Confident	134 Å²	134	69.4 Å²	69.4	66%	0.66	37%	0.366	S	S	*	.			trans	-67.1	104.2	168.1	-74.5	-170.5	75.7	0	0	109.4	V451 I462 M463	V451-M454 HydrophobicContact CG1-CB 3.99Å; V451-M454 HydrophobicContact CG1-CG 3.55Å; V451-M454 HydrophobicContact CG1-SD 3.45Å; V451-M454 WeakPolarHBondContact CG1-SD 3.32Å; M454-I462 WeakPolarHBondContact O-CA 3.43Å; M454-M463 HydrophobicContact CB-CB 4.31Å; M454-M463 HydrophobicContact CB-CG 4.03Å; M454-M463 PolarHBondContact O-N 3.43Å
455	A	83	Confident	75.1	Confident	34 Å²	34	68.1 Å²	68.1	28%	0.281	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.9	-179.6	0	0	0	0	0	111.3	G453 V461 I462 I490	G453-A455 PolarHBondContact O-N 3.29Å; A455-V461 WeakPolarHBondContact CA-O 3.37Å; A455-I462 HydrophobicContact CB-CB 4.4Å; A455-I462 HydrophobicContact CB-CD1 4.09Å; A455-I462 HydrophobicContact CB-CG1 4.03Å; A455-I490 HydrophobicContact CB-CG2 4.26Å
456	D	84.5	Confident	76.5	Confident	41 Å²	41	72.3 Å²	72.3	22%	0.219	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	87.7	165.5	-173.2	-13.9	0	0	0	106.7	R458 K459 Q460 V461	D456-R458 PolarHBondContact O-N 2.8Å; D456-K459 HydrophobicContact CB-CB 4.26Å; D456-K459 CarbonylContact O-C 3.43Å; D456-K459 PolarHBondContact O-N 3.43Å; D456-K459 PolarHBondContact OD1-N 2.88Å; D456-K459 WeakPolarHBondContact OD2-CD 3.41Å; D456-K459 VanDerWaalsContact OD2-CE 3.23Å; D456-K459 WeakPolarHBondContact OD2-CE 3.24Å; D456-K459 WeakPolarHBondContact OD2-CG 3.27Å; D456-K459 IonicContact OD2-NZ 2.78Å; D456-K459 PolarHBondContact OD2-NZ 3.23Å; D456-Q460 PolarHBondContact O-N 3.22Å; D456-V461 PolarHBondContact N-O 3.38Å; D456-V461 PolarHBondContact O-N 2.87Å
457	S	79	Confident	78.6	Confident	22 Å²	22	67.2 Å²	67.2	15%	0.154	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-59.6	-32.6	-176	67.6	0	0	0	0	112.4	K459 Q460 D492	S457-K459 VanDerWaalsContact C-N 3.25Å; S457-K459 PolarHBondContact O-N 3.09Å; S457-Q460 WeakPolarHBondContact O-CG 3.4Å; S457-Q460 PolarHBondContact O-N 2.83Å; S457-Q460 PolarHBondContact O-NE2 3.42Å; S457-D492 WeakPolarHBondContact CB-OD1 3.45Å; S457-D492 VanDerWaalsContact OG-CG 3.3Å; S457-D492 PolarHBondContact OG-OD1 3.41Å
458	R	83.4	Confident	80.7	Confident	228 Å²	228	68.1 Å²	68.1	86%	0.86	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-62.9	-34.5	175.9	-66.2	-177	-67.2	-178	-5.6	111.6	D456	D456-R458 PolarHBondContact O-N 2.8Å
459	K	89	Confident	83	Confident	140 Å²	140	62.3 Å²	62.3	61%	0.609	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-93.3	-3.5	173.4	-63.7	-173.6	-165.6	127.8	0	113.2	D456 S457 V461	D456-K459 HydrophobicContact CB-CB 4.26Å; D456-K459 CarbonylContact O-C 3.43Å; D456-K459 PolarHBondContact O-N 3.43Å; D456-K459 PolarHBondContact OD1-N 2.88Å; D456-K459 WeakPolarHBondContact OD2-CD 3.41Å; D456-K459 VanDerWaalsContact OD2-CE 3.23Å; D456-K459 WeakPolarHBondContact OD2-CE 3.24Å; D456-K459 WeakPolarHBondContact OD2-CG 3.27Å; D456-K459 IonicContact OD2-NZ 2.78Å; D456-K459 PolarHBondContact OD2-NZ 3.23Å; S457-K459 VanDerWaalsContact C-N 3.25Å; S457-K459 PolarHBondContact O-N 3.09Å; K459-V461 VanDerWaalsContact C-N 3.26Å; K459-V461 HydrophobicContact CB-CB 4.43Å; K459-V461 HydrophobicContact CB-CG2 4.13Å; K459-V461 WeakPolarHBondContact O-CG2 3.13Å; K459-V461 PolarHBondContact O-N 3.3Å
460	Q	95.7	Very high	85.2	Confident	40 Å²	40	57.2 Å²	57.2	19%	0.187	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	48	-174.7	-70	-72.8	-58	0	0	112.1	D456 S457 K470 S471 F472 D489 I490	D456-Q460 PolarHBondContact O-N 3.22Å; S457-Q460 WeakPolarHBondContact O-CG 3.4Å; S457-Q460 PolarHBondContact O-N 2.83Å; S457-Q460 PolarHBondContact O-NE2 3.42Å; Q460-K470 WeakPolarHBondContact O-CA 3.18Å; Q460-S471 WeakPolarHBondContact CB-OG 3.5Å; Q460-S471 PolarHBondContact O-N 2.9Å; Q460-S471 VanDerWaalsContact O-N 3.15Å; Q460-S471 PolarHBondContact OE1-OG 3.4Å; Q460-F472 HydrophobicContact CB-CE1 4.43Å; Q460-D489 PolarHBondContact NE2-OD1 2.85Å; Q460-D489 PolarHBondContact OE1-OD1 2.93Å; Q460-D489 VanDerWaalsContact OE1-OD1 3.08Å; Q460-I490 PolarHBondContact NE2-O 2.93Å; Q460-I490 WeakPolarHBondContact O-CD1 3.38Å
461	V	94.1	Very high	87.1	Confident	22 Å²	22	55.2 Å²	55.2	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.2	-177.7	170.9	0	0	0	0	109.5	A455 D456 K459 Q468 I469 K470	A455-V461 WeakPolarHBondContact CA-O 3.37Å; D456-V461 PolarHBondContact N-O 3.38Å; D456-V461 PolarHBondContact O-N 2.87Å; K459-V461 VanDerWaalsContact C-N 3.26Å; K459-V461 HydrophobicContact CB-CB 4.43Å; K459-V461 HydrophobicContact CB-CG2 4.13Å; K459-V461 WeakPolarHBondContact O-CG2 3.13Å; K459-V461 PolarHBondContact O-N 3.3Å; V461-Q468 HydrophobicContact CG1-CB 4.06Å; V461-Q468 HydrophobicContact CG1-CG 4.12Å; V461-I469 CarbonylContact C-O 3.48Å; V461-I469 WeakPolarHBondContact CA-O 3.4Å; V461-K470 HydrophobicContact CG2-CD 4.05Å; V461-K470 HydrophobicContact CG2-CG 3.74Å
462	I	93.9	Very high	88.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.9	168.4	-165.1	166.8	0	0	0	110.6	M454 A455 Q468 I469 I490 L496 I534	M454-I462 WeakPolarHBondContact O-CA 3.43Å; A455-I462 HydrophobicContact CB-CB 4.4Å; A455-I462 HydrophobicContact CB-CD1 4.09Å; A455-I462 HydrophobicContact CB-CG1 4.03Å; I462-Q468 WeakPolarHBondContact O-CA 3.48Å; I462-I469 HydrophobicContact CG2-CB 3.83Å; I462-I469 HydrophobicContact CG2-CG2 4.4Å; I462-I469 PolarHBondContact N-O 3.45Å; I462-I469 PolarHBondContact O-N 3.27Å; I462-I490 HydrophobicContact CB-CD1 4.24Å; I462-I490 HydrophobicContact CB-CG2 4.28Å; I462-I490 HydrophobicContact CG2-CD1 3.95Å; I462-L496 HydrophobicContact CD1-CD2 4.04Å; I462-L496 HydrophobicContact CG2-CD2 3.89Å; I462-I534 HydrophobicContact CD1-CB 4.15Å; I462-I534 HydrophobicContact CD1-CD1 4.29Å; I462-I534 HydrophobicContact CD1-CG1 4.27Å; I462-I534 HydrophobicContact CG2-CD1 3.95Å
463	M	92.2	Very high	89.6	Confident	51 Å²	51	57.9 Å²	57.9	25%	0.251	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	133.9	175.5	-63	-57.8	-56.5	0	0	111.1	V451 G453 M454 Q468	V451-M463 HydrophobicContact CB-CB 4.42Å; V451-M463 HydrophobicContact CG1-CB 4.1Å; V451-M463 HydrophobicContact CG1-CG 4.32Å; V451-M463 CarbonylContact O-C 3.44Å; V451-M463 WeakPolarHBondContact O-CB 3.28Å; G453-M463 PolarHBondContact N-O 3.35Å; M454-M463 HydrophobicContact CB-CB 4.31Å; M454-M463 HydrophobicContact CB-CG 4.03Å; M454-M463 PolarHBondContact O-N 3.43Å; M463-Q468 HydrophobicContact CE-CG 4.07Å; M463-Q468 HydrophobicContact SD-CG 3.56Å; M463-Q468 VanDerWaalsContact SD-CG 3.56Å
464	F	92.3	Very high	90.5	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	105.7	-179.3	-178.9	-110.9	0	0	0	110.4	N466 S467 I469 I534 V537 K540	F464-N466 PolarHBondContact O-N 2.78Å; F464-S467 PolarHBondContact N-O 2.8Å; F464-S467 CarbonylContact O-C 3.6Å; F464-S467 VanDerWaalsContact O-CA 3.22Å; F464-S467 WeakPolarHBondContact O-CA 3.42Å; F464-S467 WeakPolarHBondContact O-CB 3.39Å; F464-S467 PolarHBondContact O-N 2.84Å; F464-I469 HydrophobicContact CB-CD1 3.66Å; F464-I469 HydrophobicContact CB-CG1 3.99Å; F464-I469 HydrophobicContact CD1-CD1 3.76Å; F464-I469 HydrophobicContact CD1-CG1 4.27Å; F464-I469 HydrophobicContact CD2-CD1 4.13Å; F464-I469 HydrophobicContact CE1-CD1 4.42Å; F464-I469 HydrophobicContact CG-CD1 3.57Å; F464-I469 HydrophobicContact CG-CG1 4.28Å; F464-I534 HydrophobicContact CB-CD1 4.09Å; F464-I534 HydrophobicContact CD2-CD1 3.59Å; F464-I534 HydrophobicContact CD2-CG1 3.9Å; F464-I534 HydrophobicContact CE2-CD1 4.4Å; F464-I534 HydrophobicContact CG-CD1 4.14Å; F464-V537 HydrophobicContact CE1-CG1 4.06Å; F464-V537 HydrophobicContact CE2-CB 3.83Å; F464-V537 HydrophobicContact CE2-CG1 3.85Å; F464-V537 HydrophobicContact CZ-CB 4.03Å; F464-V537 HydrophobicContact CZ-CG1 3.57Å; F464-K540 HydrophobicContact CD1-CB 4.35Å; F464-K540 HydrophobicContact CE1-CB 4.38Å
465	R	85.9	Confident	91.3	Very high	38 Å²	38	51.5 Å²	51.5	14%	0.143	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	59.1	169	-58.4	-178.8	-172.2	163.1	7.1	114.3	I452 S467 V537 D538 T558 I560	I452-R465 HydrophobicContact CD1-CG 4.01Å; I452-R465 HydrophobicContact CG1-CG 4.27Å; R465-S467 PolarHBondContact O-N 2.95Å; R465-V537 PolarHBondContact NH2-O 3.47Å; R465-D538 PolarHBondContact NH1-O 3.17Å; R465-T558 WeakPolarHBondContact CD-O 3.44Å; R465-T558 PolarHBondContact NH1-O 3.07Å; R465-I560 VanDerWaalsContact NE-CD1 3.3Å
466	N	83.6	Confident	92	Very high	106 Å²	106	50.5 Å²	50.5	57%	0.567	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	15.2	-175.5	-59.1	-18.8	0	0	0	114.5	F464	F464-N466 PolarHBondContact O-N 2.78Å
467	S	92.7	Very high	92.6	Very high	5 Å²	5	48.6 Å²	48.6	4%	0.035	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	179.1	171.5	-172.1	0	0	0	0	109.8	D291 F464 R465 K540	D291-S467 WeakPolarHBondContact OD1-CB 3.34Å; D291-S467 PolarHBondContact OD1-OG 3.37Å; D291-S467 PolarHBondContact OD2-OG 2.98Å; F464-S467 PolarHBondContact N-O 2.8Å; F464-S467 CarbonylContact O-C 3.6Å; F464-S467 VanDerWaalsContact O-CA 3.22Å; F464-S467 WeakPolarHBondContact O-CA 3.42Å; F464-S467 WeakPolarHBondContact O-CB 3.39Å; F464-S467 PolarHBondContact O-N 2.84Å; R465-S467 PolarHBondContact O-N 2.95Å; S467-K540 VanDerWaalsContact OG-CD 3.3Å; S467-K540 WeakPolarHBondContact OG-CD 3.44Å; S467-K540 PolarHBondContact OG-NZ 3.49Å
468	Q	93.3	Very high	93.5	Very high	76 Å²	76	47.5 Å²	47.5	36%	0.355	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.9	175.3	-70.7	177.4	9.6	0	0	108.7	V461 I462 M463 K540	V461-Q468 HydrophobicContact CG1-CB 4.06Å; V461-Q468 HydrophobicContact CG1-CG 4.12Å; I462-Q468 WeakPolarHBondContact O-CA 3.48Å; M463-Q468 HydrophobicContact CE-CG 4.07Å; M463-Q468 HydrophobicContact SD-CG 3.56Å; M463-Q468 VanDerWaalsContact SD-CG 3.56Å; Q468-K540 WeakPolarHBondContact O-CE 3.47Å; Q468-K540 PolarHBondContact O-NZ 3.12Å
469	I	96.9	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135	167.9	-65.5	163.9	0	0	0	107.6	V461 I462 F464 D475 V478 I487 I534 V537 K540	V461-I469 CarbonylContact C-O 3.48Å; V461-I469 WeakPolarHBondContact CA-O 3.4Å; I462-I469 HydrophobicContact CG2-CB 3.83Å; I462-I469 HydrophobicContact CG2-CG2 4.4Å; I462-I469 PolarHBondContact N-O 3.45Å; I462-I469 PolarHBondContact O-N 3.27Å; F464-I469 HydrophobicContact CB-CD1 3.66Å; F464-I469 HydrophobicContact CB-CG1 3.99Å; F464-I469 HydrophobicContact CD1-CD1 3.76Å; F464-I469 HydrophobicContact CD1-CG1 4.27Å; F464-I469 HydrophobicContact CD2-CD1 4.13Å; F464-I469 HydrophobicContact CE1-CD1 4.42Å; F464-I469 HydrophobicContact CG-CD1 3.57Å; F464-I469 HydrophobicContact CG-CG1 4.28Å; I469-D475 WeakPolarHBondContact CA-O 3.44Å; I469-V478 HydrophobicContact CD1-CG1 3.8Å; I469-V478 HydrophobicContact CG1-CG1 4.06Å; I469-V478 HydrophobicContact CG2-CG1 4.18Å; I469-I487 HydrophobicContact CG2-CB 4.19Å; I469-I487 HydrophobicContact CG2-CG1 3.83Å; I469-I487 HydrophobicContact CG2-CG2 4.45Å; I469-I534 HydrophobicContact CD1-CD1 3.84Å; I469-V537 HydrophobicContact CD1-CG1 4.11Å; I469-K540 HydrophobicContact CG1-CD 4.3Å; I469-K540 HydrophobicContact CG1-CG 4.47Å
470	K	97.4	Very high	94.6	Very high	36 Å²	36	30.8 Å²	30.8	16%	0.157	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	166.8	174.9	-54.7	-173.2	-174.6	141.9	0	110.7	Q460 V461 F472 D475 N476	Q460-K470 WeakPolarHBondContact O-CA 3.18Å; V461-K470 HydrophobicContact CG2-CD 4.05Å; V461-K470 HydrophobicContact CG2-CG 3.74Å; K470-F472 VanDerWaalsContact C-N 3.26Å; K470-F472 HydrophobicContact CB-CD1 4.23Å; K470-F472 HydrophobicContact CB-CE1 4.12Å; K470-F472 HydrophobicContact CB-CZ 4.29Å; K470-F472 HydrophobicContact CD-CE1 4.2Å; K470-F472 HydrophobicContact CD-CE2 3.77Å; K470-F472 HydrophobicContact CD-CZ 3.58Å; K470-F472 HydrophobicContact CG-CZ 4.47Å; K470-D475 HydrophobicContact CB-CB 3.85Å; K470-D475 HydrophobicContact CD-CB 3.88Å; K470-D475 WeakPolarHBondContact CE-OD2 3.35Å; K470-D475 HydrophobicContact CG-CB 3.63Å; K470-D475 PolarHBondContact N-O 3.12Å; K470-D475 IonicContact NZ-OD2 2.76Å; K470-D475 PolarHBondContact NZ-OD2 3.24Å; K470-N476 WeakPolarHBondContact O-CA 3.47Å; K470-N476 WeakPolarHBondContact O-CB 3.34Å
471	S	96.3	Very high	94.6	Very high	19 Å²	19	35.8 Å²	35.8	13%	0.133	17%	0.173	C	C	.	.	S	Bend	trans	-82.7	-1.8	171.9	71.1	0	0	0	0	114.3	Q460 I487	Q460-S471 WeakPolarHBondContact CB-OG 3.5Å; Q460-S471 PolarHBondContact O-N 2.9Å; Q460-S471 VanDerWaalsContact O-N 3.15Å; Q460-S471 PolarHBondContact OE1-OG 3.4Å; S471-I487 CarbonylContact C-O 3.41Å
472	F	96	Very high	94.6	Very high	103 Å²	103	36.9 Å²	36.9	45%	0.452	19%	0.189	S	C	.	.	S	Bend	trans	-133.1	156.7	-176.8	55.4	-90.5	0	0	0	112.7	Q460 K470 D475 N476	Q460-F472 HydrophobicContact CB-CE1 4.43Å; K470-F472 VanDerWaalsContact C-N 3.26Å; K470-F472 HydrophobicContact CB-CD1 4.23Å; K470-F472 HydrophobicContact CB-CE1 4.12Å; K470-F472 HydrophobicContact CB-CZ 4.29Å; K470-F472 HydrophobicContact CD-CE1 4.2Å; K470-F472 HydrophobicContact CD-CE2 3.77Å; K470-F472 HydrophobicContact CD-CZ 3.58Å; K470-F472 HydrophobicContact CG-CZ 4.47Å; F472-D475 PolarHBondContact O-N 3.18Å; F472-N476 VanDerWaalsContact C-CG 3.42Å; F472-N476 WeakPolarHBondContact O-CB 3.33Å; F472-N476 PolarHBondContact O-N 3.15Å
473	H	94.3	Very high	94.7	Very high	90 Å²	90	42.4 Å²	42.4	42%	0.417	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	146.5	179.7	-171.7	78.2	0	0	0	111.7	E286 S287 N476	E286-H473 PolarHBondContact O-NE2 3.22Å; S287-H473 WeakPolarHBondContact CA-NE2 3.37Å; H473-N476 WeakPolarHBondContact CA-OD1 3.29Å; H473-N476 PolarHBondContact N-OD1 2.89Å
474	P	95.6	Very high	95	Very high	24 Å²	24	40 Å²	40	16%	0.156	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.6	2.8	-1.5	33.6	-33.2	0	0	0	115.1	E286 T288 N476	E286-P474 WeakPolarHBondContact O-CB 3.37Å; E286-P474 WeakPolarHBondContact O-CG 3.46Å; T288-P474 WeakPolarHBondContact O-CG 3.38Å; P474-N476 PolarHBondContact O-N 3.45Å
475	D	97.5	Very high	95.3	Very high	5 Å²	5	40 Å²	40	3%	0.027	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	12	-169.5	-67.2	-54.9	0	0	0	114.2	P289 S290 I469 K470 F472 K540	P289-D475 WeakPolarHBondContact CA-OD1 3.48Å; P289-D475 WeakPolarHBondContact CB-OD1 3.22Å; S290-D475 PolarHBondContact N-OD1 2.88Å; S290-D475 PolarHBondContact OG-OD1 2.96Å; S290-D475 PolarHBondContact OG-OD2 3.32Å; I469-D475 WeakPolarHBondContact CA-O 3.44Å; K470-D475 HydrophobicContact CB-CB 3.85Å; K470-D475 HydrophobicContact CD-CB 3.88Å; K470-D475 WeakPolarHBondContact CE-OD2 3.35Å; K470-D475 HydrophobicContact CG-CB 3.63Å; K470-D475 PolarHBondContact N-O 3.12Å; K470-D475 IonicContact NZ-OD2 2.76Å; K470-D475 PolarHBondContact NZ-OD2 3.24Å; F472-D475 PolarHBondContact O-N 3.18Å; D475-K540 IonicContact OD1-NZ 2.77Å; D475-K540 PolarHBondContact OD1-NZ 2.98Å
476	N	97.7	Very high	95.9	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.07	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	5.9	-171.3	75	-32.4	0	0	0	115.3	K470 F472 H473 P474 L486 I487	K470-N476 WeakPolarHBondContact O-CA 3.47Å; K470-N476 WeakPolarHBondContact O-CB 3.34Å; F472-N476 VanDerWaalsContact C-CG 3.42Å; F472-N476 WeakPolarHBondContact O-CB 3.33Å; F472-N476 PolarHBondContact O-N 3.15Å; H473-N476 WeakPolarHBondContact CA-OD1 3.29Å; H473-N476 PolarHBondContact N-OD1 2.89Å; P474-N476 PolarHBondContact O-N 3.45Å; N476-L486 CarbonylContact O-C 3.58Å; N476-L486 WeakPolarHBondContact O-CA 3.44Å; N476-I487 WeakPolarHBondContact CB-O 3.34Å; N476-I487 PolarHBondContact ND2-O 2.86Å; N476-I487 VanDerWaalsContact ND2-O 3.09Å; N476-I487 PolarHBondContact O-N 2.86Å
477	V	98.4	Very high	96.6	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.6	-179.4	-167.7	0	0	0	0	109.7	L486 C541 I552	V477-L486 HydrophobicContact CB-CD2 4.39Å; V477-L486 HydrophobicContact CG1-CD2 4.36Å; V477-L486 HydrophobicContact CG2-CD2 3.67Å; V477-C541 HydrophobicContact CB-CB 4.37Å; V477-C541 HydrophobicContact CG1-CB 4.08Å; V477-C541 PolarHBondContact O-N 3.07Å; V477-I552 HydrophobicContact CG1-CD1 4.19Å; V477-I552 HydrophobicContact CG1-CG1 4.38Å; V477-I552 HydrophobicContact CG1-CG2 3.97Å
478	V	98.1	Very high	96.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161.7	-175.7	-61.4	0	0	0	0	111	I469 V480 P484 G485 I487 F498 V537 C539	I469-V478 HydrophobicContact CD1-CG1 3.8Å; I469-V478 HydrophobicContact CG1-CG1 4.06Å; I469-V478 HydrophobicContact CG2-CG1 4.18Å; V478-V480 HydrophobicContact CG2-CG2 3.93Å; V478-P484 WeakPolarHBondContact O-CA 3.28Å; V478-G485 PolarHBondContact N-O 3.42Å; V478-G485 PolarHBondContact O-N 3.29Å; V478-I487 HydrophobicContact CG1-CG1 4.23Å; V478-I487 HydrophobicContact CG2-CD1 3.72Å; V478-I487 HydrophobicContact CG2-CG1 3.79Å; V478-F498 HydrophobicContact CG2-CD2 4.08Å; V478-F498 HydrophobicContact CG2-CE2 3.99Å; V478-V537 HydrophobicContact CB-CG1 3.97Å; V478-V537 HydrophobicContact CG1-CG1 4.13Å; V478-C539 WeakPolarHBondContact CA-O 3.08Å
479	V	98.2	Very high	97	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.3	164.6	178.9	0	0	0	0	108.4	K483 P484 F520 D538 C539	V479-K483 WeakPolarHBondContact CA-O 3.28Å; V479-P484 HydrophobicContact CG2-CB 4.41Å; V479-F520 HydrophobicContact CG2-CD2 4.48Å; V479-F520 HydrophobicContact CG2-CE2 3.84Å; V479-D538 HydrophobicContact CB-CB 4.32Å; V479-D538 HydrophobicContact CG1-CB 4.19Å; V479-D538 PolarHBondContact O-N 2.94Å; V479-C539 PolarHBondContact N-O 2.82Å
480	V	97.4	Very high	97	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.055	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.6	177.7	176.3	0	0	0	0	108.2	V478 G482 K483 F498 V532 D536 V537	V478-V480 HydrophobicContact CG2-CG2 3.93Å; V480-G482 VanDerWaalsContact C-N 3.25Å; V480-G482 PolarHBondContact O-N 2.95Å; V480-K483 PolarHBondContact N-O 2.67Å; V480-K483 PolarHBondContact O-N 3.27Å; V480-F498 HydrophobicContact CB-CD1 4.42Å; V480-F498 HydrophobicContact CB-CD2 4.44Å; V480-F498 HydrophobicContact CB-CE1 4.04Å; V480-F498 HydrophobicContact CB-CE2 4.06Å; V480-F498 HydrophobicContact CB-CZ 3.86Å; V480-F498 HydrophobicContact CG2-CD2 3.81Å; V480-F498 HydrophobicContact CG2-CE1 4.43Å; V480-F498 HydrophobicContact CG2-CE2 3.7Å; V480-F498 HydrophobicContact CG2-CG 4.22Å; V480-F498 HydrophobicContact CG2-CZ 4.04Å; V480-V532 HydrophobicContact CG1-CB 4.39Å; V480-V532 HydrophobicContact CG1-CG1 4.15Å; V480-V532 HydrophobicContact CG2-CG2 4.36Å; V480-D536 HydrophobicContact CG1-CB 3.95Å; V480-V537 HydrophobicContact CG2-CG2 4.14Å
481	K	94.3	Very high	96.8	Very high	145 Å²	145	36 Å²	36	63%	0.63	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	46.7	-178.5	-62.1	177.4	176.8	163	0	112.6	K483 D536 D538	K481-K483 VanDerWaalsContact C-N 3.27Å; K481-K483 PolarHBondContact O-N 3.36Å; K481-D536 WeakPolarHBondContact CE-OD1 3.44Å; K481-D536 PolarHBondContact N-O 2.74Å; K481-D536 IonicContact NZ-OD1 3.75Å; K481-D536 PolarHBondContact NZ-OD1 2.75Å; K481-D538 VanDerWaalsContact CA-OD2 3.31Å; K481-D538 WeakPolarHBondContact CA-OD2 3.45Å; K481-D538 PolarHBondContact N-OD2 3.19Å
482	G	94.5	Very high	96.4	Very high	46 Å²	46	41.3 Å²	41.3	47%	0.474	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	1.1	-180	0	0	0	0	0	115.5	V480 D538	V480-G482 VanDerWaalsContact C-N 3.25Å; V480-G482 PolarHBondContact O-N 2.95Å; G482-D538 PolarHBondContact N-OD2 2.85Å
483	K	96.9	Very high	96	Very high	115 Å²	115	40.3 Å²	40.3	50%	0.5	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.4	-179.8	-61.8	-174.8	-179.6	-177.7	0	111.3	V479 V480 K481 F498	V479-K483 WeakPolarHBondContact CA-O 3.28Å; V480-K483 PolarHBondContact N-O 2.67Å; V480-K483 PolarHBondContact O-N 3.27Å; K481-K483 VanDerWaalsContact C-N 3.27Å; K481-K483 PolarHBondContact O-N 3.36Å; K483-F498 WeakPolarHBondContact O-CZ 3.16Å
484	P	98.3	Very high	95.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	149.2	175	29.8	-33.9	0	0	0	111.2	V478 V479 F501 P504 F520 I552	V478-P484 WeakPolarHBondContact O-CA 3.28Å; V479-P484 HydrophobicContact CG2-CB 4.41Å; P484-F501 HydrophobicContact CB-CD2 4.09Å; P484-F501 HydrophobicContact CG-CB 4.39Å; P484-F501 HydrophobicContact CG-CD2 4.39Å; P484-F501 PolarHBondContact O-N 3.06Å; P484-P504 HydrophobicContact CG-CB 3.86Å; P484-F520 HydrophobicContact CB-CD2 4.03Å; P484-F520 HydrophobicContact CB-CE2 4.42Å; P484-F520 HydrophobicContact CB-CG 4.33Å; P484-F520 HydrophobicContact CG-CB 4.18Å; P484-F520 HydrophobicContact CG-CD1 4.08Å; P484-F520 HydrophobicContact CG-CD2 3.97Å; P484-F520 HydrophobicContact CG-CE1 4.49Å; P484-F520 HydrophobicContact CG-CE2 4.38Å; P484-F520 HydrophobicContact CG-CG 3.82Å; P484-I552 HydrophobicContact CB-CD1 3.69Å; P484-I552 HydrophobicContact CG-CD1 4.4Å
485	G	98.3	Very high	95.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	-175.4	174.7	0	0	0	0	0	114	V478 R499	V478-G485 PolarHBondContact N-O 3.42Å; V478-G485 PolarHBondContact O-N 3.29Å; G485-R499 CarbonylContact C-O 3.51Å; G485-R499 WeakPolarHBondContact CA-O 3.46Å
486	L	98.5	Very high	95.7	Very high	35 Å²	35	38.3 Å²	38.3	18%	0.183	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.7	-177.3	-54.3	-175.4	0	0	0	110.7	N476 V477 T488 F498 R499 F501 V525	N476-L486 CarbonylContact O-C 3.58Å; N476-L486 WeakPolarHBondContact O-CA 3.44Å; V477-L486 HydrophobicContact CB-CD2 4.39Å; V477-L486 HydrophobicContact CG1-CD2 4.36Å; V477-L486 HydrophobicContact CG2-CD2 3.67Å; L486-T488 HydrophobicContact CB-CG2 4.13Å; L486-F498 WeakPolarHBondContact O-CA 3.23Å; L486-R499 PolarHBondContact N-O 2.75Å; L486-R499 PolarHBondContact O-N 3.09Å; L486-F501 HydrophobicContact CD2-CE2 4Å; L486-F501 HydrophobicContact CD2-CZ 4.01Å; L486-F501 HydrophobicContact CG-CE2 4.28Å; L486-F501 HydrophobicContact CG-CZ 4.28Å; L486-V525 HydrophobicContact CD1-CG1 4.11Å; L486-V525 HydrophobicContact CD1-CG2 3.8Å; L486-V525 HydrophobicContact CG-CG1 4.4Å; L486-V525 HydrophobicContact CG-CG2 4.26Å
487	I	98.3	Very high	95.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.7	159.3	-56.2	-47.8	0	0	0	107.9	I469 S471 N476 V478 I490 L496 R497 F498	I469-I487 HydrophobicContact CG2-CB 4.19Å; I469-I487 HydrophobicContact CG2-CG1 3.83Å; I469-I487 HydrophobicContact CG2-CG2 4.45Å; S471-I487 CarbonylContact C-O 3.41Å; N476-I487 WeakPolarHBondContact CB-O 3.34Å; N476-I487 PolarHBondContact ND2-O 2.86Å; N476-I487 VanDerWaalsContact ND2-O 3.09Å; N476-I487 PolarHBondContact O-N 2.86Å; V478-I487 HydrophobicContact CG1-CG1 4.23Å; V478-I487 HydrophobicContact CG2-CD1 3.72Å; V478-I487 HydrophobicContact CG2-CG1 3.79Å; I487-I490 HydrophobicContact CG2-CD1 4.29Å; I487-I490 HydrophobicContact CG2-CG1 3.88Å; I487-L496 HydrophobicContact CD1-CB 3.81Å; I487-L496 HydrophobicContact CD1-CD1 4.24Å; I487-L496 HydrophobicContact CG1-CB 4.46Å; I487-L496 HydrophobicContact CG1-CD1 4.47Å; I487-L496 HydrophobicContact CG2-CB 4.11Å; I487-R497 WeakPolarHBondContact CA-O 3.37Å; I487-F498 HydrophobicContact CD1-CB 4.11Å; I487-F498 HydrophobicContact CD1-CD2 3.94Å
488	T	97.5	Very high	95.7	Very high	27 Å²	27	41.9 Å²	41.9	17%	0.166	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	-5.6	-175.4	53.4	0	0	0	0	113.5	L486 R497 R499	L486-T488 HydrophobicContact CB-CG2 4.13Å; T488-R497 PolarHBondContact N-O 3.12Å; T488-R497 PolarHBondContact O-NH2 3.08Å; T488-R497 PolarHBondContact OG1-NE 3.21Å; T488-R497 PolarHBondContact OG1-O 2.99Å; T488-R499 HydrophobicContact CG2-CG 4.42Å
489	D	97.1	Very high	95.7	Very high	45 Å²	45	45.7 Å²	45.7	24%	0.241	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	148.9	171.9	-169.6	31.8	0	0	0	109.3	Q460 R497 W531	Q460-D489 PolarHBondContact NE2-OD1 2.85Å; Q460-D489 PolarHBondContact OE1-OD1 2.93Å; Q460-D489 VanDerWaalsContact OE1-OD1 3.08Å; D489-R497 HydrophobicContact CB-CB 3.67Å; D489-R497 PolarHBondContact O-N 3.03Å; D489-W531 HydrophobicContact CB-CH2 4.24Å; D489-W531 WeakPolarHBondContact OD2-CH2 3.45Å
490	I	96.5	Very high	95.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	117.5	178.5	-57.5	-171.9	0	0	0	108.7	A455 Q460 I462 I487 L496	A455-I490 HydrophobicContact CB-CG2 4.26Å; Q460-I490 PolarHBondContact NE2-O 2.93Å; Q460-I490 WeakPolarHBondContact O-CD1 3.38Å; I462-I490 HydrophobicContact CB-CD1 4.24Å; I462-I490 HydrophobicContact CB-CG2 4.28Å; I462-I490 HydrophobicContact CG2-CD1 3.95Å; I487-I490 HydrophobicContact CG2-CD1 4.29Å; I487-I490 HydrophobicContact CG2-CG1 3.88Å; I490-L496 HydrophobicContact CB-CD2 4.25Å; I490-L496 HydrophobicContact CD1-CD2 4.06Å; I490-L496 HydrophobicContact CG1-CD2 3.77Å; I490-L496 HydrophobicContact CG2-CD2 3.89Å
491	Q	93.2	Very high	95.7	Very high	69 Å²	69	48.6 Å²	48.6	32%	0.322	25%	0.251	S	S	.	.			trans	-84.5	159.5	178.1	-68.9	-176	-2.3	0	0	112.4	S493 G494 L495 W531	Q491-S493 WeakPolarHBondContact CB-OG 3.37Å; Q491-S493 PolarHBondContact O-N 2.99Å; Q491-S493 PolarHBondContact OE1-OG 3Å; Q491-G494 PolarHBondContact O-N 3.3Å; Q491-L495 HydrophobicContact CB-CB 4.47Å; Q491-L495 PolarHBondContact N-O 3.43Å; Q491-W531 HydrophobicContact CG-CE3 4.45Å; Q491-W531 HydrophobicContact CG-CH2 3.58Å; Q491-W531 HydrophobicContact CG-CZ2 4.43Å; Q491-W531 HydrophobicContact CG-CZ3 3.59Å
492	D	87.1	Confident	95.9	Very high	132 Å²	132	45.5 Å²	45.5	71%	0.706	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.3	170.9	-73.2	-42.6	0	0	0	113	S457 G494	S457-D492 WeakPolarHBondContact CB-OD1 3.45Å; S457-D492 VanDerWaalsContact OG-CG 3.3Å; S457-D492 PolarHBondContact OG-OD1 3.41Å; D492-G494 PolarHBondContact O-N 3.23Å
493	S	88.4	Confident	96	Very high	82 Å²	82	44.9 Å²	44.9	57%	0.573	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.9	174.9	61.8	0	0	0	0	113.7	Q491 L495	Q491-S493 WeakPolarHBondContact CB-OG 3.37Å; Q491-S493 PolarHBondContact O-N 2.99Å; Q491-S493 PolarHBondContact OE1-OG 3Å; S493-L495 VanDerWaalsContact C-N 3.31Å; S493-L495 PolarHBondContact OG-N 3.47Å
494	G	88.1	Confident	96	Very high	11 Å²	11	42.3 Å²	42.3	11%	0.113	23%	0.225	C	C	.	.	S	Bend	trans	81.8	5	-172.2	0	0	0	0	0	114.3	Q491 D492	Q491-G494 PolarHBondContact O-N 3.3Å; D492-G494 PolarHBondContact O-N 3.23Å
495	L	94.8	Very high	95.9	Very high	65 Å²	65	47 Å²	47	34%	0.34	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	139.2	171.2	-69	176.7	0	0	0	111	Q491 S493 W531	Q491-L495 HydrophobicContact CB-CB 4.47Å; Q491-L495 PolarHBondContact N-O 3.43Å; S493-L495 VanDerWaalsContact C-N 3.31Å; S493-L495 PolarHBondContact OG-N 3.47Å; L495-W531 HydrophobicContact CB-CE3 3.79Å; L495-W531 HydrophobicContact CB-CZ3 4.37Å
496	L	97.6	Very high	95.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.2	-176.3	-46.8	175.9	0	0	0	110.2	I462 I487 I490 F498 W531 V532 I534 V537	I462-L496 HydrophobicContact CD1-CD2 4.04Å; I462-L496 HydrophobicContact CG2-CD2 3.89Å; I487-L496 HydrophobicContact CD1-CB 3.81Å; I487-L496 HydrophobicContact CD1-CD1 4.24Å; I487-L496 HydrophobicContact CG1-CB 4.46Å; I487-L496 HydrophobicContact CG1-CD1 4.47Å; I487-L496 HydrophobicContact CG2-CB 4.11Å; I490-L496 HydrophobicContact CB-CD2 4.25Å; I490-L496 HydrophobicContact CD1-CD2 4.06Å; I490-L496 HydrophobicContact CG1-CD2 3.77Å; I490-L496 HydrophobicContact CG2-CD2 3.89Å; L496-F498 PolarHBondContact O-N 3.13Å; L496-W531 VanDerWaalsContact C-CE3 3.46Å; L496-W531 WeakPolarHBondContact O-CA 3.43Å; L496-V532 HydrophobicContact CB-CG2 4.02Å; L496-V532 PolarHBondContact N-O 3.39Å; L496-V532 PolarHBondContact O-N 2.9Å; L496-I534 HydrophobicContact CD1-CD1 3.89Å; L496-V537 HydrophobicContact CD1-CG2 4.02Å
497	R	98	Very high	95.8	Very high	81 Å²	81	49.3 Å²	49.3	31%	0.306	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	100.5	174.8	-173.5	174.5	68.1	-171.3	-4.1	109.8	I487 T488 D489 Y529 W531	I487-R497 WeakPolarHBondContact CA-O 3.37Å; T488-R497 PolarHBondContact N-O 3.12Å; T488-R497 PolarHBondContact O-NH2 3.08Å; T488-R497 PolarHBondContact OG1-NE 3.21Å; T488-R497 PolarHBondContact OG1-O 2.99Å; D489-R497 HydrophobicContact CB-CB 3.67Å; D489-R497 PolarHBondContact O-N 3.03Å; R497-Y529 HydrophobicContact CG-CD2 3.59Å; R497-Y529 HydrophobicContact CG-CE2 4.29Å; R497-Y529 HydrophobicContact CG-CG 3.73Å; R497-W531 HydrophobicContact CB-CE3 4.12Å; R497-W531 HydrophobicContact CB-CH2 3.81Å; R497-W531 HydrophobicContact CB-CZ2 4.31Å; R497-W531 HydrophobicContact CB-CZ3 3.71Å
498	F	98.6	Very high	95.7	Very high	9 Å²	9	50.6 Å²	50.6	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126	-176.4	178.4	-112.3	0	0	0	111.7	V478 V480 K483 L486 I487 L496 Q500 Y529 S530 V532	V478-F498 HydrophobicContact CG2-CD2 4.08Å; V478-F498 HydrophobicContact CG2-CE2 3.99Å; V480-F498 HydrophobicContact CB-CD1 4.42Å; V480-F498 HydrophobicContact CB-CD2 4.44Å; V480-F498 HydrophobicContact CB-CE1 4.04Å; V480-F498 HydrophobicContact CB-CE2 4.06Å; V480-F498 HydrophobicContact CB-CZ 3.86Å; V480-F498 HydrophobicContact CG2-CD2 3.81Å; V480-F498 HydrophobicContact CG2-CE1 4.43Å; V480-F498 HydrophobicContact CG2-CE2 3.7Å; V480-F498 HydrophobicContact CG2-CG 4.22Å; V480-F498 HydrophobicContact CG2-CZ 4.04Å; K483-F498 WeakPolarHBondContact O-CZ 3.16Å; L486-F498 WeakPolarHBondContact O-CA 3.23Å; I487-F498 HydrophobicContact CD1-CB 4.11Å; I487-F498 HydrophobicContact CD1-CD2 3.94Å; L496-F498 PolarHBondContact O-N 3.13Å; F498-Q500 HydrophobicContact CD1-CB 4.48Å; F498-Q500 HydrophobicContact CE1-CB 3.69Å; F498-Q500 HydrophobicContact CZ-CB 4.02Å; F498-Y529 VanDerWaalsContact O-CA 3.24Å; F498-Y529 WeakPolarHBondContact O-CA 3.35Å; F498-Y529 WeakPolarHBondContact O-CB 3.28Å; F498-S530 PolarHBondContact N-O 2.94Å; F498-S530 PolarHBondContact O-N 2.95Å; F498-V532 HydrophobicContact CB-CG1 3.97Å; F498-V532 HydrophobicContact CB-CG2 3.77Å; F498-V532 HydrophobicContact CD1-CG1 4.41Å; F498-V532 HydrophobicContact CG-CG1 4.48Å; F498-V532 HydrophobicContact CG-CG2 4.47Å
499	R	98.5	Very high	95.6	Very high	80 Å²	80	54.2 Å²	54.2	30%	0.302	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	105.5	172.8	-69.4	-179.2	65.9	-170	-5.4	108.9	G485 L486 T488 V525 S526	G485-R499 CarbonylContact C-O 3.51Å; G485-R499 WeakPolarHBondContact CA-O 3.46Å; L486-R499 PolarHBondContact N-O 2.75Å; L486-R499 PolarHBondContact O-N 3.09Å; T488-R499 HydrophobicContact CG2-CG 4.42Å; R499-V525 HydrophobicContact CB-CG1 3.81Å; R499-S526 VanDerWaalsContact CZ-O 3.24Å; R499-S526 PolarHBondContact NE-O 3.25Å; R499-S526 PolarHBondContact NH2-O 3.11Å
500	Q	98	Very high	95.3	Very high	70 Å²	70	57.4 Å²	57.4	33%	0.327	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	149.7	-177.6	67.9	-175.1	-7.7	0	0	112.3	F498 S526	F498-Q500 HydrophobicContact CD1-CB 4.48Å; F498-Q500 HydrophobicContact CE1-CB 3.69Å; F498-Q500 HydrophobicContact CZ-CB 4.02Å; Q500-S526 WeakPolarHBondContact O-CB 3.49Å; Q500-S526 PolarHBondContact O-N 2.91Å
501	F	98.3	Very high	95	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.026	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-71	137.7	160.6	-71.2	-85.8	0	0	0	109.6	P484 L486 C522 V524 V525 L550 I552	P484-F501 HydrophobicContact CB-CD2 4.09Å; P484-F501 HydrophobicContact CG-CB 4.39Å; P484-F501 HydrophobicContact CG-CD2 4.39Å; P484-F501 PolarHBondContact O-N 3.06Å; L486-F501 HydrophobicContact CD2-CE2 4Å; L486-F501 HydrophobicContact CD2-CZ 4.01Å; L486-F501 HydrophobicContact CG-CE2 4.28Å; L486-F501 HydrophobicContact CG-CZ 4.28Å; F501-C522 HydrophobicContact CB-CB 3.9Å; F501-C522 HydrophobicContact CD1-CB 3.42Å; F501-C522 VanDerWaalsContact CD1-CB 3.42Å; F501-C522 HydrophobicContact CD2-CB 4.19Å; F501-C522 HydrophobicContact CE1-CB 3.92Å; F501-C522 HydrophobicContact CG-CB 3.57Å; F501-V524 CarbonylContact C-O 3.52Å; F501-V524 VanDerWaalsContact CA-O 3.23Å; F501-V524 WeakPolarHBondContact CA-O 3.3Å; F501-V524 WeakPolarHBondContact CD1-O 3.44Å; F501-V525 HydrophobicContact CD1-CG2 3.62Å; F501-V525 HydrophobicContact CE1-CG2 3.24Å; F501-V525 HydrophobicContact CE2-CG2 4.47Å; F501-V525 HydrophobicContact CG-CG2 4.41Å; F501-V525 HydrophobicContact CZ-CG2 3.71Å; F501-L550 HydrophobicContact CE1-CD1 3.92Å; F501-L550 HydrophobicContact CZ-CD1 3.8Å; F501-I552 HydrophobicContact CD2-CD1 3.65Å; F501-I552 HydrophobicContact CE2-CD1 3.38Å; F501-I552 HydrophobicContact CG-CD1 4.47Å; F501-I552 HydrophobicContact CZ-CD1 3.98Å
502	T	97	Very high	95	Very high	81 Å²	81	59.2 Å²	59.2	50%	0.497	32%	0.315	S	S	.	.	S	Bend	trans	-89.8	-14.1	-177.7	54.1	0	0	0	0	113.1	P504 V524	T502-P504 VanDerWaalsContact C-CD 3.4Å; T502-V524 PolarHBondContact N-O 3.39Å; T502-V524 WeakPolarHBondContact OG1-CB 3.42Å; T502-V524 WeakPolarHBondContact OG1-CG1 3.46Å; T502-V524 PolarHBondContact OG1-O 2.72Å
503	D	96.7	Very high	95.4	Very high	33 Å²	33	55.1 Å²	55.1	18%	0.176	30%	0.296	C	S	.	.			trans	-127.8	46.6	-173	68	-35.6	0	0	0	113.9	Q505 S523 V524	D503-Q505 PolarHBondContact O-N 2.67Å; D503-S523 VanDerWaalsContact CG-N 3.35Å; D503-S523 PolarHBondContact OD1-N 2.78Å; D503-S523 WeakPolarHBondContact OD2-CA 3.45Å; D503-S523 WeakPolarHBondContact OD2-CB 3.4Å; D503-S523 PolarHBondContact OD2-N 3.46Å; D503-S523 PolarHBondContact OD2-OG 3.27Å; D503-V524 PolarHBondContact OD1-N 3.16Å; D503-V524 PolarHBondContact OD2-N 3.09Å
504	P	97.1	Very high	95.9	Very high	60 Å²	60	51.2 Å²	51.2	39%	0.39	27%	0.269	S	S	.	.			trans	-64.3	122.3	175.7	29	-33.8	0	0	0	111.2	P484 T502 F520	P484-P504 HydrophobicContact CG-CB 3.86Å; T502-P504 VanDerWaalsContact C-CD 3.4Å; P504-F520 HydrophobicContact CB-CD1 3.87Å; P504-F520 HydrophobicContact CB-CE1 4.48Å
505	Q	97.5	Very high	96.3	Very high	99 Å²	99	52.8 Å²	52.8	46%	0.463	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	164.4	-179.6	-66.7	176.3	3.6	0	0	111.1	D503 Y507 K521	D503-Q505 PolarHBondContact O-N 2.67Å; Q505-Y507 PolarHBondContact O-N 3.35Å; Q505-K521 HydrophobicContact CB-CB 4.37Å; Q505-K521 PolarHBondContact N-O 3.32Å; Q505-K521 PolarHBondContact O-N 2.99Å
506	N	97.8	Very high	96.3	Very high	58 Å²	58	54.4 Å²	54.4	31%	0.31	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	128.9	166	-75.3	-57.4	0	0	0	110.6	T509 P513 S514 T515	N506-T509 HydrophobicContact CB-CG2 3.92Å; N506-P513 VanDerWaalsContact OD1-C 3.26Å; N506-P513 VanDerWaalsContact OD1-CA 3.29Å; N506-P513 WeakPolarHBondContact OD1-CA 3.32Å; N506-P513 WeakPolarHBondContact OD1-CB 3.47Å; N506-S514 PolarHBondContact OD1-N 2.88Å; N506-T515 WeakPolarHBondContact OD1-CG2 3.37Å; N506-T515 PolarHBondContact OD1-N 3.22Å; N506-T515 VanDerWaalsContact OD1-N 3.08Å; N506-T515 PolarHBondContact OD1-OG1 2.97Å
507	Y	96.7	Very high	96.2	Very high	26 Å²	26	54.7 Å²	54.7	10%	0.102	29%	0.287	C	S	.	.	S	Bend	trans	-76	-36.9	167.6	174.8	-120.3	0	0	0	111	P319 V320 Q323 Q505 S514 I519 V551	P319-Y507 PolarHBondContact O-OH 3.05Å; V320-Y507 WeakPolarHBondContact CA-OH 3.19Å; V320-Y507 HydrophobicContact CG2-CE1 4.25Å; Q323-Y507 PolarHBondContact OE1-OH 3.1Å; Q505-Y507 PolarHBondContact O-N 3.35Å; Y507-S514 PolarHBondContact N-OG 3.06Å; Y507-I519 HydrophobicContact CD1-CG2 4.38Å; Y507-V551 HydrophobicContact CD1-CG1 4.02Å; Y507-V551 HydrophobicContact CD2-CG1 4.16Å; Y507-V551 HydrophobicContact CD2-CG2 3.58Å; Y507-V551 HydrophobicContact CE1-CG1 4.38Å; Y507-V551 HydrophobicContact CE2-CG2 3.61Å; Y507-V551 HydrophobicContact CG-CG1 3.92Å; Y507-V551 HydrophobicContact CG-CG2 4.21Å
508	F	95	Very high	96.1	Very high	28 Å²	28	51.7 Å²	51.7	12%	0.123	28%	0.281	C	S	.	.			trans	-140.6	157	167.3	57.8	-100.6	0	0	0	109.9	L339 F512 S514 I517	L339-F508 HydrophobicContact CD1-CE2 4.44Å; L339-F508 HydrophobicContact CD1-CZ 3.86Å; L339-F508 HydrophobicContact CD2-CE2 4.4Å; F508-F512 WeakPolarHBondContact CD2-O 3.47Å; F508-F512 HydrophobicContact CE2-CE2 4.25Å; F508-F512 WeakPolarHBondContact CE2-O 3.24Å; F508-S514 WeakPolarHBondContact O-CB 3.49Å; F508-S514 PolarHBondContact O-N 3.46Å; F508-I517 HydrophobicContact CZ-CD1 4.17Å
509	T	95.6	Very high	96	Very high	102 Å²	102	51.9 Å²	51.9	63%	0.626	28%	0.282	S	S	*	.			trans	-116.7	-8.8	177.6	53.5	0	0	0	0	113.4	N506 F512	N506-T509 HydrophobicContact CB-CG2 3.92Å; T509-F512 CarbonylContact C-O 3.56Å; T509-F512 VanDerWaalsContact C-O 3.29Å; T509-F512 CarbonylContact O-C 3.47Å; T509-F512 VanDerWaalsContact O-C 3.23Å; T509-F512 WeakPolarHBondContact O-CA 3.2Å; T509-F512 PolarHBondContact O-N 3.26Å
510	D	90.4	Very high	96	Very high	113 Å²	113	48.8 Å²	48.8	60%	0.604	27%	0.271	S	S	*	.	S	Bend	trans	-121.2	127.2	179.8	178	58.1	0	0	0	109.2	K335	K335-D510 PolarHBondContact NZ-O 2.95Å
511	P	90	Very high	96	Very high	62 Å²	62	48.4 Å²	48.4	40%	0.403	27%	0.268	S	S	.	.	S	Bend	cis	-78.2	-12	6.6	30.9	-34.1	0	0	0	115.6	L339	L339-P511 HydrophobicContact CD2-CG 3.62Å
512	F	93.3	Very high	96	Very high	45 Å²	45	48.1 Å²	48.1	20%	0.197	27%	0.267	C	S	.	.	S	Bend	trans	-152	165.4	175.8	53.2	-97.8	0	0	0	110.3	L339 L343 F508 T509 S514 I517	L339-F512 HydrophobicContact CD1-CZ 4.03Å; L339-F512 HydrophobicContact CD2-CE1 4.21Å; L339-F512 HydrophobicContact CD2-CZ 4.23Å; L339-F512 HydrophobicContact CG-CZ 4.44Å; L343-F512 HydrophobicContact CD1-CE1 4Å; L343-F512 HydrophobicContact CD1-CZ 4.02Å; L343-F512 HydrophobicContact CD2-CZ 4Å; L343-F512 HydrophobicContact CG-CZ 4.45Å; F508-F512 WeakPolarHBondContact CD2-O 3.47Å; F508-F512 HydrophobicContact CE2-CE2 4.25Å; F508-F512 WeakPolarHBondContact CE2-O 3.24Å; T509-F512 CarbonylContact C-O 3.56Å; T509-F512 VanDerWaalsContact C-O 3.29Å; T509-F512 CarbonylContact O-C 3.47Å; T509-F512 VanDerWaalsContact O-C 3.23Å; T509-F512 WeakPolarHBondContact O-CA 3.2Å; T509-F512 PolarHBondContact O-N 3.26Å; F512-S514 PolarHBondContact O-N 2.79Å; F512-I517 HydrophobicContact CE2-CB 4.48Å; F512-I517 HydrophobicContact CE2-CD1 3.91Å; F512-I517 HydrophobicContact CE2-CG1 4.03Å; F512-I517 HydrophobicContact CE2-CG2 3.67Å; F512-I517 HydrophobicContact CZ-CD1 4.22Å; F512-I517 HydrophobicContact CZ-CG2 4.12Å
513	P	96.9	Very high	95.9	Very high	47 Å²	47	47.2 Å²	47.2	31%	0.305	26%	0.264	S	S	.	.			trans	-55.6	119.4	173.8	-25.8	36.1	0	0	0	112.4	N506 T515 D516	N506-P513 VanDerWaalsContact OD1-C 3.26Å; N506-P513 VanDerWaalsContact OD1-CA 3.29Å; N506-P513 WeakPolarHBondContact OD1-CA 3.32Å; N506-P513 WeakPolarHBondContact OD1-CB 3.47Å; P513-T515 PolarHBondContact O-N 2.89Å; P513-D516 WeakPolarHBondContact CD-OD2 3.28Å; P513-D516 VanDerWaalsContact O-CB 3.27Å; P513-D516 WeakPolarHBondContact O-CB 3.22Å; P513-D516 PolarHBondContact O-N 2.81Å
514	S	97.5	Very high	95.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-59.4	-24.1	-178.5	76.1	0	0	0	0	113.4	N506 Y507 F508 F512 D516 I517 I519	N506-S514 PolarHBondContact OD1-N 2.88Å; Y507-S514 PolarHBondContact N-OG 3.06Å; F508-S514 WeakPolarHBondContact O-CB 3.49Å; F508-S514 PolarHBondContact O-N 3.46Å; F512-S514 PolarHBondContact O-N 2.79Å; S514-D516 PolarHBondContact O-N 2.98Å; S514-I517 WeakPolarHBondContact O-CG1 3.3Å; S514-I517 PolarHBondContact O-N 3.39Å; S514-I519 CarbonylContact C-O 3.44Å; S514-I519 PolarHBondContact O-N 2.94Å; S514-I519 VanDerWaalsContact O-O 3.13Å; S514-I519 PolarHBondContact OG-O 3.15Å
515	T	97.2	Very high	95.8	Very high	44 Å²	44	48.5 Å²	48.5	27%	0.27	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-63.9	-24	175.2	53.1	0	0	0	0	113	N506 P513 I517 G518 I519 F520	N506-T515 WeakPolarHBondContact OD1-CG2 3.37Å; N506-T515 PolarHBondContact OD1-N 3.22Å; N506-T515 VanDerWaalsContact OD1-N 3.08Å; N506-T515 PolarHBondContact OD1-OG1 2.97Å; P513-T515 PolarHBondContact O-N 2.89Å; T515-I517 PolarHBondContact O-N 2.83Å; T515-G518 PolarHBondContact O-N 2.91Å; T515-I519 PolarHBondContact N-O 3.4Å; T515-F520 HydrophobicContact CG2-CD1 3.67Å; T515-F520 HydrophobicContact CG2-CE1 3.85Å
516	D	94.8	Very high	95.8	Very high	98 Å²	98	44.5 Å²	44.5	52%	0.524	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-65.9	-25.7	179.2	-63.9	-6.7	0	0	0	111.9	F349 P513 S514	F349-D516 WeakPolarHBondContact CZ-O 2.83Å; P513-D516 WeakPolarHBondContact CD-OD2 3.28Å; P513-D516 VanDerWaalsContact O-CB 3.27Å; P513-D516 WeakPolarHBondContact O-CB 3.22Å; P513-D516 PolarHBondContact O-N 2.81Å; S514-D516 PolarHBondContact O-N 2.98Å
517	I	94.6	Very high	95.6	Very high	7 Å²	7	47 Å²	47	4%	0.036	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-106.1	16.6	174.1	62.7	169.8	0	0	0	112.6	L339 Y342 L343 F349 F508 F512 S514 T515 I519	L339-I517 HydrophobicContact CD1-CD1 4.04Å; Y342-I517 HydrophobicContact CD1-CD1 3.99Å; Y342-I517 HydrophobicContact CE1-CB 4.49Å; Y342-I517 HydrophobicContact CE1-CD1 3.86Å; L343-I517 HydrophobicContact CD2-CG2 3.98Å; F349-I517 HydrophobicContact CD2-CG2 3.97Å; F349-I517 HydrophobicContact CE2-CB 4.2Å; F349-I517 HydrophobicContact CE2-CG2 3.76Å; F349-I517 HydrophobicContact CZ-CG2 4.11Å; F508-I517 HydrophobicContact CZ-CD1 4.17Å; F512-I517 HydrophobicContact CE2-CB 4.48Å; F512-I517 HydrophobicContact CE2-CD1 3.91Å; F512-I517 HydrophobicContact CE2-CG1 4.03Å; F512-I517 HydrophobicContact CE2-CG2 3.67Å; F512-I517 HydrophobicContact CZ-CD1 4.22Å; F512-I517 HydrophobicContact CZ-CG2 4.12Å; S514-I517 WeakPolarHBondContact O-CG1 3.3Å; S514-I517 PolarHBondContact O-N 3.39Å; T515-I517 PolarHBondContact O-N 2.83Å; I517-I519 VanDerWaalsContact C-N 3.31Å; I517-I519 HydrophobicContact CD1-CD1 3.63Å; I517-I519 HydrophobicContact CD1-CG1 4.13Å; I517-I519 HydrophobicContact CG1-CB 4.42Å; I517-I519 HydrophobicContact CG1-CD1 4.12Å; I517-I519 HydrophobicContact CG1-CG1 4.04Å; I517-I519 PolarHBondContact O-N 3.49Å
518	G	95.8	Very high	95.6	Very high	17 Å²	17	48.7 Å²	48.7	18%	0.175	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	16.8	177.9	0	0	0	0	0	114.8	T515 F520 P554	T515-G518 PolarHBondContact O-N 2.91Å; G518-F520 VanDerWaalsContact C-CE2 3.44Å; G518-F520 WeakPolarHBondContact O-CD2 3.28Å; G518-F520 WeakPolarHBondContact O-CE2 3.45Å; G518-P554 WeakPolarHBondContact O-CD 3.28Å; G518-P554 WeakPolarHBondContact O-CG 3.26Å
519	I	98.1	Very high	95.7	Very high	13 Å²	13	53.7 Å²	53.7	7%	0.067	32%	0.315	C	S	.	.			trans	-93	121.2	174.6	-62.2	-179.7	0	0	0	109.4	Y342 Y507 S514 T515 I517 V551 I552 V553	Y342-I519 HydrophobicContact CE1-CD1 4.15Å; Y342-I519 HydrophobicContact CE2-CD1 4.43Å; Y507-I519 HydrophobicContact CD1-CG2 4.38Å; S514-I519 CarbonylContact C-O 3.44Å; S514-I519 PolarHBondContact O-N 2.94Å; S514-I519 VanDerWaalsContact O-O 3.13Å; S514-I519 PolarHBondContact OG-O 3.15Å; T515-I519 PolarHBondContact N-O 3.4Å; I517-I519 VanDerWaalsContact C-N 3.31Å; I517-I519 HydrophobicContact CD1-CD1 3.63Å; I517-I519 HydrophobicContact CD1-CG1 4.13Å; I517-I519 HydrophobicContact CG1-CB 4.42Å; I517-I519 HydrophobicContact CG1-CD1 4.12Å; I517-I519 HydrophobicContact CG1-CG1 4.04Å; I517-I519 PolarHBondContact O-N 3.49Å; I519-V551 HydrophobicContact CG2-CG1 4.21Å; I519-I552 WeakPolarHBondContact CA-O 3.24Å; I519-V553 HydrophobicContact CD1-CG1 4.18Å; I519-V553 HydrophobicContact CG1-CG1 4.24Å; I519-V553 HydrophobicContact CG2-CG2 4.37Å
520	F	98.4	Very high	95.8	Very high	15 Å²	15	51.5 Å²	51.5	7%	0.066	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144	-174.7	-54.2	-88.6	0	0	0	112	V479 P484 P504 T515 G518 V551 I552	V479-F520 HydrophobicContact CG2-CD2 4.48Å; V479-F520 HydrophobicContact CG2-CE2 3.84Å; P484-F520 HydrophobicContact CB-CD2 4.03Å; P484-F520 HydrophobicContact CB-CE2 4.42Å; P484-F520 HydrophobicContact CB-CG 4.33Å; P484-F520 HydrophobicContact CG-CB 4.18Å; P484-F520 HydrophobicContact CG-CD1 4.08Å; P484-F520 HydrophobicContact CG-CD2 3.97Å; P484-F520 HydrophobicContact CG-CE1 4.49Å; P484-F520 HydrophobicContact CG-CE2 4.38Å; P484-F520 HydrophobicContact CG-CG 3.82Å; P504-F520 HydrophobicContact CB-CD1 3.87Å; P504-F520 HydrophobicContact CB-CE1 4.48Å; T515-F520 HydrophobicContact CG2-CD1 3.67Å; T515-F520 HydrophobicContact CG2-CE1 3.85Å; G518-F520 VanDerWaalsContact C-CE2 3.44Å; G518-F520 WeakPolarHBondContact O-CD2 3.28Å; G518-F520 WeakPolarHBondContact O-CE2 3.45Å; F520-V551 CarbonylContact O-C 3.56Å; F520-V551 WeakPolarHBondContact O-CA 3.38Å; F520-I552 HydrophobicContact CB-CB 4.32Å; F520-I552 PolarHBondContact N-O 3.18Å; F520-I552 PolarHBondContact O-N 3.34Å
521	K	98	Very high	96.2	Very high	63 Å²	63	50.6 Å²	50.6	27%	0.274	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.7	157.6	173.6	179	176.1	-162.1	0	108	Q505 H549 L550	Q505-K521 HydrophobicContact CB-CB 4.37Å; Q505-K521 PolarHBondContact N-O 3.32Å; Q505-K521 PolarHBondContact O-N 2.99Å; K521-H549 HydrophobicContact CG-CB 4.11Å; K521-L550 WeakPolarHBondContact CA-O 3.45Å
522	C	97.9	Very high	96.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.3	-178.8	-56.1	0	0	0	0	111.1	F501 L550 I552	F501-C522 HydrophobicContact CB-CB 3.9Å; F501-C522 HydrophobicContact CD1-CB 3.42Å; F501-C522 VanDerWaalsContact CD1-CB 3.42Å; F501-C522 HydrophobicContact CD2-CB 4.19Å; F501-C522 HydrophobicContact CE1-CB 3.92Å; F501-C522 HydrophobicContact CG-CB 3.57Å; C522-L550 PolarHBondContact N-O 2.97Å; C522-L550 PolarHBondContact O-N 2.65Å; C522-I552 HydrophobicContact CB-CD1 4.08Å
523	S	95.5	Very high	96.6	Very high	61 Å²	61	48 Å²	48	43%	0.427	28%	0.281	S	S	.	.			trans	-133.7	-27.3	-178.5	-23.1	0	0	0	0	113	D503	D503-S523 VanDerWaalsContact CG-N 3.35Å; D503-S523 PolarHBondContact OD1-N 2.78Å; D503-S523 WeakPolarHBondContact OD2-CA 3.45Å; D503-S523 WeakPolarHBondContact OD2-CB 3.4Å; D503-S523 PolarHBondContact OD2-N 3.46Å; D503-S523 PolarHBondContact OD2-OG 3.27Å
524	V	95.1	Very high	96.4	Very high	78 Å²	78	46.4 Å²	46.4	47%	0.473	27%	0.269	S	S	.	.			trans	-123.6	121	-170.5	-174.8	0	0	0	0	111	F501 T502 D503	F501-V524 CarbonylContact C-O 3.52Å; F501-V524 VanDerWaalsContact CA-O 3.23Å; F501-V524 WeakPolarHBondContact CA-O 3.3Å; F501-V524 WeakPolarHBondContact CD1-O 3.44Å; T502-V524 PolarHBondContact N-O 3.39Å; T502-V524 WeakPolarHBondContact OG1-CB 3.42Å; T502-V524 WeakPolarHBondContact OG1-CG1 3.46Å; T502-V524 PolarHBondContact OG1-O 2.72Å; D503-V524 PolarHBondContact OD1-N 3.16Å; D503-V524 PolarHBondContact OD2-N 3.09Å
525	V	95.8	Very high	96.1	Very high	43 Å²	43	57 Å²	57	26%	0.261	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-93.5	128.6	173.8	-177.7	0	0	0	0	109.6	L486 R499 F501	L486-V525 HydrophobicContact CD1-CG1 4.11Å; L486-V525 HydrophobicContact CD1-CG2 3.8Å; L486-V525 HydrophobicContact CG-CG1 4.4Å; L486-V525 HydrophobicContact CG-CG2 4.26Å; R499-V525 HydrophobicContact CB-CG1 3.81Å; F501-V525 HydrophobicContact CD1-CG2 3.62Å; F501-V525 HydrophobicContact CE1-CG2 3.24Å; F501-V525 HydrophobicContact CE2-CG2 4.47Å; F501-V525 HydrophobicContact CG-CG2 4.41Å; F501-V525 HydrophobicContact CZ-CG2 3.71Å
526	S	96.7	Very high	96	Very high	15 Å²	15	57 Å²	57	11%	0.105	31%	0.308	C	S	.	.			trans	-54.2	138.5	175.5	173.3	0	0	0	0	112.1	R499 Q500 A528	R499-S526 VanDerWaalsContact CZ-O 3.24Å; R499-S526 PolarHBondContact NE-O 3.25Å; R499-S526 PolarHBondContact NH2-O 3.11Å; Q500-S526 WeakPolarHBondContact O-CB 3.49Å; Q500-S526 PolarHBondContact O-N 2.91Å; S526-A528 PolarHBondContact OG-N 3.39Å; S526-A528 VanDerWaalsContact OG-N 3.12Å; S526-A528 PolarHBondContact OG-O 2.93Å
527	S	94.9	Very high	96.1	Very high	109 Å²	109	52.4 Å²	52.4	76%	0.762	28%	0.283	S	S	*	.	S	Bend	trans	-70.7	-35.7	168.2	54.9	0	0	0	0	111.8
528	A	96.9	Very high	96.1	Very high	63 Å²	63	55.3 Å²	55.3	52%	0.521	30%	0.298	S	S	.	.			trans	-68.5	148.5	172.4	0	0	0	0	0	111.3	S526	S526-A528 PolarHBondContact OG-N 3.39Å; S526-A528 VanDerWaalsContact OG-N 3.12Å; S526-A528 PolarHBondContact OG-O 2.93Å
529	Y	97.1	Very high	96.2	Very high	133 Å²	133	54.9 Å²	54.9	52%	0.522	29%	0.293	S	S	.	.			trans	-130.3	160.5	176.7	66.8	-94	0	0	0	110.7	R497 F498 W531	R497-Y529 HydrophobicContact CG-CD2 3.59Å; R497-Y529 HydrophobicContact CG-CE2 4.29Å; R497-Y529 HydrophobicContact CG-CG 3.73Å; F498-Y529 VanDerWaalsContact O-CA 3.24Å; F498-Y529 WeakPolarHBondContact O-CA 3.35Å; F498-Y529 WeakPolarHBondContact O-CB 3.28Å; Y529-W531 AromaticContact CE2-NE1 3.72Å
530	S	97.3	Very high	96.2	Very high	56 Å²	56	54.3 Å²	54.3	39%	0.392	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	156.6	165.9	58.1	0	0	0	0	109.9	F498	F498-S530 PolarHBondContact N-O 2.94Å; F498-S530 PolarHBondContact O-N 2.95Å
531	W	97.6	Very high	96.2	Very high	93 Å²	93	53.6 Å²	53.6	35%	0.352	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127.4	167.7	-70.2	105.8	0	0	0	108.8	D489 Q491 L495 L496 R497 Y529	D489-W531 HydrophobicContact CB-CH2 4.24Å; D489-W531 WeakPolarHBondContact OD2-CH2 3.45Å; Q491-W531 HydrophobicContact CG-CE3 4.45Å; Q491-W531 HydrophobicContact CG-CH2 3.58Å; Q491-W531 HydrophobicContact CG-CZ2 4.43Å; Q491-W531 HydrophobicContact CG-CZ3 3.59Å; L495-W531 HydrophobicContact CB-CE3 3.79Å; L495-W531 HydrophobicContact CB-CZ3 4.37Å; L496-W531 VanDerWaalsContact C-CE3 3.46Å; L496-W531 WeakPolarHBondContact O-CA 3.43Å; R497-W531 HydrophobicContact CB-CE3 4.12Å; R497-W531 HydrophobicContact CB-CH2 3.81Å; R497-W531 HydrophobicContact CB-CZ2 4.31Å; R497-W531 HydrophobicContact CB-CZ3 3.71Å; Y529-W531 AromaticContact CE2-NE1 3.72Å
532	V	97.4	Very high	96.1	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.079	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.4	-179.8	-56.7	0	0	0	0	110.4	V480 L496 F498 D536	V480-V532 HydrophobicContact CG1-CB 4.39Å; V480-V532 HydrophobicContact CG1-CG1 4.15Å; V480-V532 HydrophobicContact CG2-CG2 4.36Å; L496-V532 HydrophobicContact CB-CG2 4.02Å; L496-V532 PolarHBondContact N-O 3.39Å; L496-V532 PolarHBondContact O-N 2.9Å; F498-V532 HydrophobicContact CB-CG1 3.97Å; F498-V532 HydrophobicContact CB-CG2 3.77Å; F498-V532 HydrophobicContact CD1-CG1 4.41Å; F498-V532 HydrophobicContact CG-CG1 4.48Å; F498-V532 HydrophobicContact CG-CG2 4.47Å; V532-D536 HydrophobicContact CB-CB 4.45Å
533	S	94.8	Very high	96.1	Very high	41 Å²	41	50.8 Å²	50.8	29%	0.287	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	151.7	172.2	-175.3	0	0	0	0	110.1	R535 D536	S533-R535 PolarHBondContact O-N 3.16Å; S533-R535 VanDerWaalsContact O-N 3.08Å; S533-R535 PolarHBondContact OG-N 2.88Å; S533-D536 WeakPolarHBondContact CB-OD2 3.43Å; S533-D536 PolarHBondContact N-OD2 2.84Å; S533-D536 WeakPolarHBondContact O-CB 3.46Å; S533-D536 PolarHBondContact O-N 3.41Å
534	I	92.1	Very high	96.1	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.067	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-54.3	-25.8	167.2	-166	63	0	0	0	112.7	I452 I462 F464 I469 L496 D536 V537	I452-I534 HydrophobicContact CG2-CB 4.37Å; I452-I534 HydrophobicContact CG2-CG1 3.74Å; I452-I534 HydrophobicContact CG2-CG2 3.68Å; I462-I534 HydrophobicContact CD1-CB 4.15Å; I462-I534 HydrophobicContact CD1-CD1 4.29Å; I462-I534 HydrophobicContact CD1-CG1 4.27Å; I462-I534 HydrophobicContact CG2-CD1 3.95Å; F464-I534 HydrophobicContact CB-CD1 4.09Å; F464-I534 HydrophobicContact CD2-CD1 3.59Å; F464-I534 HydrophobicContact CD2-CG1 3.9Å; F464-I534 HydrophobicContact CE2-CD1 4.4Å; F464-I534 HydrophobicContact CG-CD1 4.14Å; I469-I534 HydrophobicContact CD1-CD1 3.84Å; L496-I534 HydrophobicContact CD1-CD1 3.89Å; I534-D536 VanDerWaalsContact C-N 3.3Å; I534-D536 PolarHBondContact O-N 3.05Å; I534-V537 HydrophobicContact CD1-CG2 4.29Å; I534-V537 WeakPolarHBondContact O-CB 3.36Å; I534-V537 PolarHBondContact O-N 2.91Å
535	R	92.2	Very high	95.9	Very high	223 Å²	223	49.5 Å²	49.5	84%	0.842	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-72	-21.7	176.6	-62.5	-176.7	-178.4	-174	0.8	113.4	S533 V537	S533-R535 PolarHBondContact O-N 3.16Å; S533-R535 VanDerWaalsContact O-N 3.08Å; S533-R535 PolarHBondContact OG-N 2.88Å; R535-V537 VanDerWaalsContact C-N 3.3Å
536	D	94.9	Very high	95.6	Very high	44 Å²	44	48.8 Å²	48.8	24%	0.235	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-82.5	-9.7	175.9	-59.8	-61.5	0	0	0	112.3	V480 K481 V532 S533 I534 D538	V480-D536 HydrophobicContact CG1-CB 3.95Å; K481-D536 WeakPolarHBondContact CE-OD1 3.44Å; K481-D536 PolarHBondContact N-O 2.74Å; K481-D536 IonicContact NZ-OD1 3.75Å; K481-D536 PolarHBondContact NZ-OD1 2.75Å; V532-D536 HydrophobicContact CB-CB 4.45Å; S533-D536 WeakPolarHBondContact CB-OD2 3.43Å; S533-D536 PolarHBondContact N-OD2 2.84Å; S533-D536 WeakPolarHBondContact O-CB 3.46Å; S533-D536 PolarHBondContact O-N 3.41Å; I534-D536 VanDerWaalsContact C-N 3.3Å; I534-D536 PolarHBondContact O-N 3.05Å; D536-D538 PolarHBondContact O-N 3.41Å
537	V	96.4	Very high	94.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	117.9	-179.4	-177.7	0	0	0	0	110	F464 R465 I469 V478 V480 L496 I534 R535	F464-V537 HydrophobicContact CE1-CG1 4.06Å; F464-V537 HydrophobicContact CE2-CB 3.83Å; F464-V537 HydrophobicContact CE2-CG1 3.85Å; F464-V537 HydrophobicContact CZ-CB 4.03Å; F464-V537 HydrophobicContact CZ-CG1 3.57Å; R465-V537 PolarHBondContact NH2-O 3.47Å; I469-V537 HydrophobicContact CD1-CG1 4.11Å; V478-V537 HydrophobicContact CB-CG1 3.97Å; V478-V537 HydrophobicContact CG1-CG1 4.13Å; V480-V537 HydrophobicContact CG2-CG2 4.14Å; L496-V537 HydrophobicContact CD1-CG2 4.02Å; I534-V537 HydrophobicContact CD1-CG2 4.29Å; I534-V537 WeakPolarHBondContact O-CB 3.36Å; I534-V537 PolarHBondContact O-N 2.91Å; R535-V537 VanDerWaalsContact C-N 3.3Å
538	D	95.8	Very high	94.5	Very high	68 Å²	68	56 Å²	56	36%	0.364	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-44.8	179.9	-62.4	-41.6	0	0	0	111.3	R465 V479 K481 G482 D536	R465-D538 PolarHBondContact NH1-O 3.17Å; V479-D538 HydrophobicContact CB-CB 4.32Å; V479-D538 HydrophobicContact CG1-CB 4.19Å; V479-D538 PolarHBondContact O-N 2.94Å; K481-D538 VanDerWaalsContact CA-OD2 3.31Å; K481-D538 WeakPolarHBondContact CA-OD2 3.45Å; K481-D538 PolarHBondContact N-OD2 3.19Å; G482-D538 PolarHBondContact N-OD2 2.85Å; D536-D538 PolarHBondContact O-N 3.41Å
539	C	96.8	Very high	94.4	Very high	9 Å²	9	54.8 Å²	54.8	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	161.2	177.7	59.7	0	0	0	0	111.7	V478 V479 V559	V478-C539 WeakPolarHBondContact CA-O 3.08Å; V479-C539 PolarHBondContact N-O 2.82Å; C539-V559 HydrophobicContact CB-CG2 3.87Å
540	K	97.8	Very high	94.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	150.6	166.4	-174.6	-179.4	175.2	-170.6	0	108.7	D291 F464 S467 Q468 I469 D475 L555 T558	D291-K540 WeakPolarHBondContact OD2-CE 3.11Å; D291-K540 IonicContact OD2-NZ 2.72Å; D291-K540 PolarHBondContact OD2-NZ 2.65Å; F464-K540 HydrophobicContact CD1-CB 4.35Å; F464-K540 HydrophobicContact CE1-CB 4.38Å; S467-K540 VanDerWaalsContact OG-CD 3.3Å; S467-K540 WeakPolarHBondContact OG-CD 3.44Å; S467-K540 PolarHBondContact OG-NZ 3.49Å; Q468-K540 WeakPolarHBondContact O-CE 3.47Å; Q468-K540 PolarHBondContact O-NZ 3.12Å; I469-K540 HydrophobicContact CG1-CD 4.3Å; I469-K540 HydrophobicContact CG1-CG 4.47Å; D475-K540 IonicContact OD1-NZ 2.77Å; D475-K540 PolarHBondContact OD1-NZ 2.98Å; K540-L555 HydrophobicContact CB-CD1 4.19Å; K540-L555 HydrophobicContact CD-CD1 3.85Å; K540-L555 HydrophobicContact CG-CD1 3.87Å; K540-L555 WeakPolarHBondContact O-CB 3.48Å; K540-L555 WeakPolarHBondContact O-CG 3.38Å; K540-L555 PolarHBondContact O-N 3.38Å; K540-T558 HydrophobicContact CB-CG2 4.08Å; K540-T558 PolarHBondContact N-OG1 3.4Å; K540-T558 PolarHBondContact O-OG1 3.16Å
541	C	98.2	Very high	94.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.3	-177	-53.7	0	0	0	0	112.6	V477 I552 V553	V477-C541 HydrophobicContact CB-CB 4.37Å; V477-C541 HydrophobicContact CG1-CB 4.08Å; V477-C541 PolarHBondContact O-N 3.07Å; C541-I552 HydrophobicContact CB-CG2 3.41Å; C541-I552 VanDerWaalsContact CB-CG2 3.41Å; C541-V553 CarbonylContact C-O 3.54Å; C541-V553 VanDerWaalsContact CA-O 3.3Å; C541-V553 WeakPolarHBondContact CA-O 3.3Å; C541-V553 WeakPolarHBondContact CB-O 3.49Å
542	M	97.1	Very high	94.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.2	158.3	-178	162.8	-174.3	0	0	108.7	P289 F292 L312 Y316 L317 I544 I552 V553 L555	P289-M542 HydrophobicContact CG-CB 4.11Å; P289-M542 HydrophobicContact CG-CG 4.35Å; F292-M542 HydrophobicContact CE2-SD 4.02Å; F292-M542 HydrophobicContact CZ-SD 4.47Å; L312-M542 HydrophobicContact CD1-CE 4.28Å; L312-M542 HydrophobicContact CD1-SD 3.9Å; Y316-M542 HydrophobicContact CD1-CB 4.42Å; Y316-M542 HydrophobicContact CG-SD 4.35Å; L317-M542 HydrophobicContact CD2-CE 3.35Å; L317-M542 HydrophobicContact CD2-SD 4.46Å; L317-M542 HydrophobicContact CG-CE 4.19Å; M542-I544 HydrophobicContact CE-CG1 4.15Å; M542-I544 HydrophobicContact CG-CG1 4.05Å; M542-I544 HydrophobicContact SD-CG1 4.49Å; M542-I552 WeakPolarHBondContact O-CA 3.48Å; M542-V553 PolarHBondContact N-O 3.42Å; M542-V553 PolarHBondContact O-N 2.99Å; M542-L555 HydrophobicContact CB-CD2 3.9Å
543	S	96.9	Very high	94.4	Very high	4 Å²	4	43 Å²	43	3%	0.028	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	109.2	176.3	179.1	0	0	0	0	109.8	S287	S287-S543 VanDerWaalsContact CB-O 3.23Å; S287-S543 WeakPolarHBondContact CB-O 3.32Å; S287-S543 PolarHBondContact OG-O 3.22Å
544	I	95.7	Very high	94.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.8	-176.2	-58.8	168.3	0	0	0	108.4	Y316 L317 V320 I321 M542 C546 L550 V551 V553	Y316-I544 WeakPolarHBondContact O-CD1 3.4Å; L317-I544 HydrophobicContact CD2-CD1 4.18Å; L317-I544 HydrophobicContact CD2-CG1 4.32Å; V320-I544 HydrophobicContact CB-CD1 4.09Å; V320-I544 HydrophobicContact CB-CG2 4.13Å; V320-I544 HydrophobicContact CG1-CB 4.24Å; V320-I544 HydrophobicContact CG1-CG2 3.68Å; V320-I544 HydrophobicContact CG2-CD1 3.75Å; I321-I544 HydrophobicContact CG2-CG2 4.47Å; M542-I544 HydrophobicContact CE-CG1 4.15Å; M542-I544 HydrophobicContact CG-CG1 4.05Å; M542-I544 HydrophobicContact SD-CG1 4.49Å; I544-C546 PolarHBondContact O-N 2.91Å; I544-L550 WeakPolarHBondContact O-CA 3.46Å; I544-V551 PolarHBondContact N-O 3.46Å; I544-V551 PolarHBondContact O-N 2.85Å; I544-V553 HydrophobicContact CD1-CG2 4.39Å
545	N	90.7	Very high	94.8	Very high	111 Å²	111	40.6 Å²	40.6	59%	0.594	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	114.6	-177.5	-167.1	-7.1	0	0	0	111.6	L550	N545-L550 HydrophobicContact CB-CD2 4.02Å
546	C	89.7	Confident	95	Very high	29 Å²	29	30.2 Å²	30.2	20%	0.196	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	163.5	169.8	-59.9	0	0	0	0	109.8	V320 I544 N548 H549	V320-C546 WeakPolarHBondContact CG1-SG 3.46Å; I544-C546 PolarHBondContact O-N 2.91Å; C546-N548 PolarHBondContact O-N 3.01Å; C546-H549 CarbonylContact C-O 3.58Å; C546-H549 VanDerWaalsContact CA-O 3.31Å; C546-H549 WeakPolarHBondContact CA-O 3.48Å; C546-H549 WeakPolarHBondContact CB-O 3.35Å; C546-H549 PolarHBondContact N-O 2.83Å; C546-H549 PolarHBondContact O-N 3.05Å
547	V	82.5	Confident	94.8	Very high	137 Å²	137	31.9 Å²	31.9	83%	0.83	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-38.5	-171.9	-178.5	0	0	0	0	114
548	N	87.3	Confident	94.8	Very high	138 Å²	138	32 Å²	32	74%	0.738	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.5	-1.4	-174.1	-62.8	-31.3	0	0	0	114.2	C546	C546-N548 PolarHBondContact O-N 3.01Å
549	H	93.9	Very high	94.6	Very high	38 Å²	38	29.7 Å²	29.7	18%	0.176	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	166.9	-174.4	62.8	-86.6	0	0	0	110.7	K521 C546	K521-H549 HydrophobicContact CG-CB 4.11Å; C546-H549 CarbonylContact C-O 3.58Å; C546-H549 VanDerWaalsContact CA-O 3.31Å; C546-H549 WeakPolarHBondContact CA-O 3.48Å; C546-H549 WeakPolarHBondContact CB-O 3.35Å; C546-H549 PolarHBondContact N-O 2.83Å; C546-H549 PolarHBondContact O-N 3.05Å
550	L	95.3	Very high	93.6	Very high	43 Å²	43	35.2 Å²	35.2	23%	0.225	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.3	169.1	-57.6	177.8	0	0	0	109.3	F501 K521 C522 I544 N545	F501-L550 HydrophobicContact CE1-CD1 3.92Å; F501-L550 HydrophobicContact CZ-CD1 3.8Å; K521-L550 WeakPolarHBondContact CA-O 3.45Å; C522-L550 PolarHBondContact N-O 2.97Å; C522-L550 PolarHBondContact O-N 2.65Å; I544-L550 WeakPolarHBondContact O-CA 3.46Å; N545-L550 HydrophobicContact CB-CD2 4.02Å
551	V	97.5	Very high	93.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.1	165.4	-175.4	0	0	0	0	108.2	V320 Y507 I519 F520 I544 V553	V320-V551 HydrophobicContact CG1-CB 4.09Å; V320-V551 HydrophobicContact CG1-CG2 3.82Å; V320-V551 HydrophobicContact CG2-CB 4.02Å; V320-V551 HydrophobicContact CG2-CG1 3.76Å; V320-V551 HydrophobicContact CG2-CG2 4.35Å; Y507-V551 HydrophobicContact CD1-CG1 4.02Å; Y507-V551 HydrophobicContact CD2-CG1 4.16Å; Y507-V551 HydrophobicContact CD2-CG2 3.58Å; Y507-V551 HydrophobicContact CE1-CG1 4.38Å; Y507-V551 HydrophobicContact CE2-CG2 3.61Å; Y507-V551 HydrophobicContact CG-CG1 3.92Å; Y507-V551 HydrophobicContact CG-CG2 4.21Å; I519-V551 HydrophobicContact CG2-CG1 4.21Å; F520-V551 CarbonylContact O-C 3.56Å; F520-V551 WeakPolarHBondContact O-CA 3.38Å; I544-V551 PolarHBondContact N-O 3.46Å; I544-V551 PolarHBondContact O-N 2.85Å; V551-V553 HydrophobicContact CG1-CG2 4.07Å
552	I	98.1	Very high	93.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.8	-177.7	-57.7	177.9	0	0	0	107.7	V477 P484 F501 I519 F520 C522 C541 M542	V477-I552 HydrophobicContact CG1-CD1 4.19Å; V477-I552 HydrophobicContact CG1-CG1 4.38Å; V477-I552 HydrophobicContact CG1-CG2 3.97Å; P484-I552 HydrophobicContact CB-CD1 3.69Å; P484-I552 HydrophobicContact CG-CD1 4.4Å; F501-I552 HydrophobicContact CD2-CD1 3.65Å; F501-I552 HydrophobicContact CE2-CD1 3.38Å; F501-I552 HydrophobicContact CG-CD1 4.47Å; F501-I552 HydrophobicContact CZ-CD1 3.98Å; I519-I552 WeakPolarHBondContact CA-O 3.24Å; F520-I552 HydrophobicContact CB-CB 4.32Å; F520-I552 PolarHBondContact N-O 3.18Å; F520-I552 PolarHBondContact O-N 3.34Å; C522-I552 HydrophobicContact CB-CD1 4.08Å; C541-I552 HydrophobicContact CB-CG2 3.41Å; C541-I552 VanDerWaalsContact CB-CG2 3.41Å; M542-I552 WeakPolarHBondContact O-CA 3.48Å
553	V	98.1	Very high	92.9	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.6	-178	-173.7	0	0	0	0	109.2	Y316 Y342 I519 C541 M542 I544 V551 L555	Y316-V553 HydrophobicContact CD1-CB 4.1Å; Y316-V553 HydrophobicContact CD1-CG1 3.62Å; Y316-V553 HydrophobicContact CE1-CG1 3.99Å; Y342-V553 HydrophobicContact CE2-CG1 3.73Å; I519-V553 HydrophobicContact CD1-CG1 4.18Å; I519-V553 HydrophobicContact CG1-CG1 4.24Å; I519-V553 HydrophobicContact CG2-CG2 4.37Å; C541-V553 CarbonylContact C-O 3.54Å; C541-V553 VanDerWaalsContact CA-O 3.3Å; C541-V553 WeakPolarHBondContact CA-O 3.3Å; C541-V553 WeakPolarHBondContact CB-O 3.49Å; M542-V553 PolarHBondContact N-O 3.42Å; M542-V553 PolarHBondContact O-N 2.99Å; I544-V553 HydrophobicContact CD1-CG2 4.39Å; V551-V553 HydrophobicContact CG1-CG2 4.07Å; V553-L555 PolarHBondContact O-N 3.45Å
554	P	98.1	Very high	92.7	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	134.6	176.1	-27.7	35.8	0	0	0	112.6	Y316 Y342 G518 L556 V559	Y316-P554 WeakPolarHBondContact CE1-O 3.46Å; Y342-P554 WeakPolarHBondContact OH-CD 3.32Å; Y342-P554 PolarHBondContact OH-O 2.98Å; G518-P554 WeakPolarHBondContact O-CD 3.28Å; G518-P554 WeakPolarHBondContact O-CG 3.26Å; P554-L556 PolarHBondContact O-N 3.23Å; P554-V559 HydrophobicContact CB-CG2 3.98Å
555	L	97.5	Very high	92.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.248	C	C	.	.			trans	-74.2	109.4	169.6	-59.6	-174.5	0	0	0	108.3	P289 D291 F292 Y316 K540 M542 V553 H557 T558	P289-L555 HydrophobicContact CB-CD1 4.14Å; P289-L555 HydrophobicContact CG-CD1 4.17Å; P289-L555 HydrophobicContact CG-CD2 4.36Å; D291-L555 HydrophobicContact CB-CD1 4.11Å; D291-L555 WeakPolarHBondContact OD2-CD1 3.16Å; F292-L555 HydrophobicContact CE2-CD2 3.6Å; F292-L555 HydrophobicContact CZ-CD2 3.73Å; Y316-L555 HydrophobicContact CD1-CD2 4.49Å; Y316-L555 HydrophobicContact CE1-CD2 3.94Å; K540-L555 HydrophobicContact CB-CD1 4.19Å; K540-L555 HydrophobicContact CD-CD1 3.85Å; K540-L555 HydrophobicContact CG-CD1 3.87Å; K540-L555 WeakPolarHBondContact O-CB 3.48Å; K540-L555 WeakPolarHBondContact O-CG 3.38Å; K540-L555 PolarHBondContact O-N 3.38Å; M542-L555 HydrophobicContact CB-CD2 3.9Å; V553-L555 PolarHBondContact O-N 3.45Å; L555-H557 PolarHBondContact O-N 3.17Å; L555-H557 VanDerWaalsContact O-N 3.12Å; L555-T558 HydrophobicContact CB-CG2 4.04Å; L555-T558 PolarHBondContact O-N 3.27Å; L555-T558 PolarHBondContact O-OG1 2.66Å
556	L	96.2	Very high	92.6	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-54	-36.9	-169.9	-67	177.5	0	0	0	113.8	L315 Y316 Y342 A345 H346 P554 T558 V559	L315-L556 HydrophobicContact CD1-CD1 4.1Å; Y316-L556 PolarHBondContact OH-N 3.04Å; Y342-L556 HydrophobicContact CD1-CD2 4.49Å; Y342-L556 HydrophobicContact CD2-CD1 4.18Å; Y342-L556 HydrophobicContact CD2-CD2 4.33Å; Y342-L556 HydrophobicContact CD2-CG 4.47Å; Y342-L556 HydrophobicContact CE1-CD2 3.94Å; Y342-L556 HydrophobicContact CE2-CD1 4.24Å; Y342-L556 HydrophobicContact CE2-CD2 3.75Å; Y342-L556 HydrophobicContact CE2-CG 4.02Å; A345-L556 HydrophobicContact CB-CD1 3.5Å; H346-L556 HydrophobicContact CB-CD2 3.99Å; H346-L556 VanDerWaalsContact CD2-CD2 3.49Å; H346-L556 WeakPolarHBondContact CD2-CD2 3.38Å; P554-L556 PolarHBondContact O-N 3.23Å; L556-T558 PolarHBondContact O-N 3.38Å; L556-V559 PolarHBondContact O-N 3.01Å
557	H	92.3	Very high	92.8	Very high	79 Å²	79	42.5 Å²	42.5	37%	0.366	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-72.7	-8.6	178.9	64.8	-81.7	0	0	0	114.1	D291 L555	D291-H557 IonicContact OD1-CD2 2.8Å; D291-H557 IonicContact OD1-CE1 3.5Å; D291-H557 PolarHBondContact OD1-CE1 2.78Å; D291-H557 IonicContact OD1-NE2 3.45Å; D291-H557 PolarHBondContact OD1-NE2 2.83Å; L555-H557 PolarHBondContact O-N 3.17Å; L555-H557 VanDerWaalsContact O-N 3.12Å
558	T	94.6	Very high	93.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-102.3	-6.7	175.2	73.5	0	0	0	0	112.9	R465 K540 L555 L556	R465-T558 WeakPolarHBondContact CD-O 3.44Å; R465-T558 PolarHBondContact NH1-O 3.07Å; K540-T558 HydrophobicContact CB-CG2 4.08Å; K540-T558 PolarHBondContact N-OG1 3.4Å; K540-T558 PolarHBondContact O-OG1 3.16Å; L555-T558 HydrophobicContact CB-CG2 4.04Å; L555-T558 PolarHBondContact O-N 3.27Å; L555-T558 PolarHBondContact O-OG1 2.66Å; L556-T558 PolarHBondContact O-N 3.38Å
559	V	93	Very high	94.2	Very high	21 Å²	21	26.7 Å²	26.7	13%	0.127	14%	0.135	C	C	.	.			trans	-80.9	131.2	177.1	-176.6	0	0	0	0	109	P347 K348 C539 P554 L556	P347-V559 HydrophobicContact CG-CB 3.83Å; P347-V559 HydrophobicContact CG-CG1 4.01Å; P347-V559 WeakPolarHBondContact CG-O 2.96Å; K348-V559 HydrophobicContact CD-CG1 4.28Å; C539-V559 HydrophobicContact CB-CG2 3.87Å; P554-V559 HydrophobicContact CB-CG2 3.98Å; L556-V559 PolarHBondContact O-N 3.01Å
560	I	75.5	Confident	94.2	Very high	125 Å²	125	25.6 Å²	25.6	64%	0.641	13%	0.131	S	C	*	.			trans	-97.8	0	163.9	-67.1	177.9	0	0	0	107.5	K348 R465	K348-I560 VanDerWaalsContact CD-O 3.25Å; K348-I560 WeakPolarHBondContact CD-O 3.37Å; K348-I560 VanDerWaalsContact CE-C 3.48Å; K348-I560 WeakPolarHBondContact CE-O 3.36Å; K348-I560 WeakPolarHBondContact CE-OXT 3.42Å; K348-I560 WeakPolarHBondContact CG-OXT 3.29Å; K348-I560 PolarHBondContact NZ-O 2.86Å; R465-I560 VanDerWaalsContact NE-CD1 3.3Å

Retrieved 560 of 560 residues in 760.5 ms (Link to these results)

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