A0A3Q0KU19_SCHMA Loading...

Carboxypeptidase N catalytic chain

AlphaFold DB , UniProt , Accession A0A3Q0KU19, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 492 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	42.6	Very low	44	Very low	200 Å²	200	159.1 Å²	159.1	99%	0.985	80%	0.8	S	S	*	*				0	122.6	0	-159.6	156.4	88.2	0	0	107.6
2	Y	40.4	Very low	43.8	Very low	196 Å²	196	155.4 Å²	155.4	77%	0.769	79%	0.792	S	S	*	*			trans	151.2	96.8	140.2	-81.5	-68.5	0	0	0	112.6
3	C	41.8	Very low	44.1	Very low	103 Å²	103	152.8 Å²	152.8	70%	0.696	79%	0.788	S	S	*	*			trans	22.3	113.4	143.5	-60.6	0	0	0	0	119.6	F5	C3-F5 PolarHBondContact O-N 3.19Å
4	L	45.2	Very low	44.4	Very low	182 Å²	182	153.1 Å²	153.1	95%	0.953	79%	0.79	S	S	*	*			trans	-66.3	107	151.6	-82.2	145.6	0	0	0	108.9	G6	L4-G6 PolarHBondContact O-N 3.08Å; L4-G6 VanDerWaalsContact O-N 3.14Å
5	F	45.5	Very low	45.1	Very low	194 Å²	194	148 Å²	148	85%	0.851	77%	0.773	S	S	*	*			trans	-69.3	101.2	167	-92.3	-93.2	0	0	0	109	C3 L7	C3-F5 PolarHBondContact O-N 3.19Å; F5-L7 PolarHBondContact O-N 3.06Å
6	G	49.7	Very low	46.5	Very low	58 Å²	58	144.6 Å²	144.6	60%	0.598	77%	0.766	S	S	*	*			trans	-66.9	112.6	164.1	0	0	0	0	0	109.2	L4 F8	L4-G6 PolarHBondContact O-N 3.08Å; L4-G6 VanDerWaalsContact O-N 3.14Å; G6-F8 VanDerWaalsContact C-N 3.33Å; G6-F8 PolarHBondContact O-N 3.09Å
7	L	46	Very low	48.1	Very low	161 Å²	161	141.8 Å²	141.8	84%	0.843	76%	0.756	S	S	*	*			trans	-65.2	92.9	169.2	-78.4	156.8	0	0	0	108.6	F5 F9	F5-L7 PolarHBondContact O-N 3.06Å; L7-F9 PolarHBondContact O-N 2.66Å; L7-F9 VanDerWaalsContact O-N 3.08Å
8	F	46.1	Very low	50	Low	194 Å²	194	134.8 Å²	134.8	85%	0.851	72%	0.718	S	S	*	*			trans	-66.8	102.5	161.1	-82.6	-88.9	0	0	0	107.5	G6 V10	G6-F8 VanDerWaalsContact C-N 3.33Å; G6-F8 PolarHBondContact O-N 3.09Å; F8-V10 PolarHBondContact O-N 2.9Å
9	F	42.9	Very low	51.7	Low	185 Å²	185	133 Å²	133	81%	0.811	72%	0.717	S	S	*	*			trans	-63	89.3	159	-95.3	-94.7	0	0	0	107.3	L7 H11	L7-F9 PolarHBondContact O-N 2.66Å; L7-F9 VanDerWaalsContact O-N 3.08Å; F9-H11 PolarHBondContact O-N 3.29Å; F9-H11 VanDerWaalsContact O-N 3.09Å
10	V	42.5	Very low	53.6	Low	110 Å²	110	127.4 Å²	127.4	67%	0.667	69%	0.687	S	S	*	*			trans	-68.4	104.1	161.3	-178.2	0	0	0	0	104.6	F8 T12	F8-V10 PolarHBondContact O-N 2.9Å; V10-T12 HydrophobicContact CG1-CG2 4.45Å; V10-T12 PolarHBondContact O-N 3.23Å
11	H	41.6	Very low	55.3	Low	167 Å²	167	123.4 Å²	123.4	77%	0.773	67%	0.669	S	S	*	*			trans	-60.2	89.5	159.4	-87.3	-59.1	0	0	0	106.8	F9 V13	F9-H11 PolarHBondContact O-N 3.29Å; F9-H11 VanDerWaalsContact O-N 3.09Å; H11-V13 HydrophobicContact CB-CG2 4.41Å; H11-V13 PolarHBondContact O-N 3.41Å
12	T	41.9	Very low	57.7	Low	115 Å²	115	118.3 Å²	118.3	71%	0.706	64%	0.639	S	S	*	*			trans	-63.3	83.5	152.9	36.4	0	0	0	0	105.9	V10 L14	V10-T12 HydrophobicContact CG1-CG2 4.45Å; V10-T12 PolarHBondContact O-N 3.23Å; T12-L14 PolarHBondContact O-N 3.32Å
13	V	47.1	Very low	60.1	Low	122 Å²	122	116.5 Å²	116.5	74%	0.739	64%	0.637	S	S	*	*			trans	-59.1	99.8	155.3	-177.1	0	0	0	0	103.4	H11 S15	H11-V13 HydrophobicContact CB-CG2 4.41Å; H11-V13 PolarHBondContact O-N 3.41Å; V13-S15 PolarHBondContact O-N 2.86Å
14	L	48.4	Very low	62.5	Low	157 Å²	157	116.5 Å²	116.5	82%	0.822	63%	0.63	S	S	*	*			trans	-53	97.7	164.5	-88.7	143	0	0	0	105.4	T12 S16	T12-L14 PolarHBondContact O-N 3.32Å; L14-S16 PolarHBondContact O-N 3.41Å
15	S	55.5	Low	64.9	Low	76 Å²	76	108.7 Å²	108.7	53%	0.531	59%	0.589	S	S	.	*			trans	-68.2	75.7	172.5	164.9	0	0	0	0	107.3	V13 T17 R41	V13-S15 PolarHBondContact O-N 2.86Å; S15-T17 PolarHBondContact O-N 3.05Å; S15-T17 VanDerWaalsContact O-N 3.08Å; S15-R41 PolarHBondContact OG-NH1 3.28Å; S15-R41 PolarHBondContact OG-NH2 3.22Å
16	S	66.9	Low	67.4	Low	94 Å²	94	100 Å²	100	66%	0.657	55%	0.551	S	S	*	*			trans	-66.9	104.7	162.1	55.6	0	0	0	0	106.4	L14 I18 R41	L14-S16 PolarHBondContact O-N 3.41Å; S16-I18 PolarHBondContact O-N 3.05Å; S16-R41 VanDerWaalsContact C-NH1 3.34Å; S16-R41 PolarHBondContact O-NH1 3.05Å
17	T	74	Confident	69.5	Low	97 Å²	97	99 Å²	99	60%	0.595	54%	0.535	S	S	*	.			trans	-47.8	137.4	167.6	46.7	0	0	0	0	109.4	S15 S19	S15-T17 PolarHBondContact O-N 3.05Å; S15-T17 VanDerWaalsContact O-N 3.08Å; T17-S19 VanDerWaalsContact C-N 3.34Å; T17-S19 PolarHBondContact O-N 3.04Å
18	I	81.7	Confident	71.9	Confident	16 Å²	16	91.7 Å²	91.7	8%	0.082	50%	0.496	C	S	.	.			trans	-72.9	95.3	175.5	-58.9	171.7	0	0	0	107.3	S16 I20 R37 V38 R41 V106	S16-I18 PolarHBondContact O-N 3.05Å; I18-I20 HydrophobicContact CG2-CG1 4.39Å; I18-I20 PolarHBondContact O-N 3.07Å; I18-R37 HydrophobicContact CD1-CB 4.1Å; I18-R37 WeakPolarHBondContact CD1-O 3.35Å; I18-R37 HydrophobicContact CG1-CB 4.28Å; I18-V38 VanDerWaalsContact CD1-CA 3.47Å; I18-V38 HydrophobicContact CD1-CB 4.09Å; I18-V38 HydrophobicContact CD1-CG2 3.54Å; I18-R41 HydrophobicContact CD1-CB 4.16Å; I18-V106 HydrophobicContact CB-CG1 4.16Å; I18-V106 HydrophobicContact CB-CG2 4.09Å; I18-V106 HydrophobicContact CD1-CG2 4.46Å; I18-V106 HydrophobicContact CG2-CG2 3.69Å
19	S	82.8	Confident	74.2	Confident	100 Å²	100	85.6 Å²	85.6	70%	0.699	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-78.4	116.5	175.1	-173.6	0	0	0	0	109.6	T17	T17-S19 VanDerWaalsContact C-N 3.34Å; T17-S19 PolarHBondContact O-N 3.04Å
20	I	89.7	Confident	76.7	Confident	20 Å²	20	78.5 Å²	78.5	10%	0.103	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-99.9	130.4	169	-61.6	-177.3	0	0	0	107.9	I18 H26 I34 R103 V106	I18-I20 HydrophobicContact CG2-CG1 4.39Å; I18-I20 PolarHBondContact O-N 3.07Å; I20-H26 WeakPolarHBondContact CG2-CE1 3.41Å; I20-H26 WeakPolarHBondContact CG2-NE2 3.23Å; I20-I34 HydrophobicContact CD1-CD1 4.36Å; I20-I34 HydrophobicContact CD1-CG2 3.79Å; I20-I34 HydrophobicContact CG1-CD1 4.2Å; I20-I34 HydrophobicContact CG1-CG1 4.47Å; I20-I34 HydrophobicContact CG1-CG2 4.21Å; I20-I34 HydrophobicContact CG2-CD1 4.36Å; I20-R103 HydrophobicContact CD1-CG 4.17Å; I20-V106 HydrophobicContact CD1-CB 4.1Å; I20-V106 HydrophobicContact CD1-CG2 3.42Å; I20-V106 VanDerWaalsContact CD1-CG2 3.42Å; I20-V106 HydrophobicContact CG1-CG2 4.06Å
21	S	89.5	Confident	79.3	Confident	45 Å²	45	73.3 Å²	73.3	32%	0.315	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-73.8	143	178.9	-176.7	0	0	0	0	111.6	Q23 H26 R103	S21-Q23 WeakPolarHBondContact OG-CB 3.37Å; S21-Q23 PolarHBondContact OG-N 2.74Å; S21-Q23 VanDerWaalsContact OG-N 3.08Å; S21-H26 PolarHBondContact O-CE1 2.97Å; S21-H26 VanDerWaalsContact O-CE1 3.25Å; S21-R103 PolarHBondContact O-NH2 3.15Å
22	W	92.6	Very high	81.9	Confident	92 Å²	92	68.4 Å²	68.4	35%	0.348	40%	0.398	S	S	.	.	S	Bend	trans	-94.3	2.7	168.9	-61.1	101.6	0	0	0	112.9	A317 L320 P321 W324	W22-A317 CarbonylContact O-C 3.4Å; W22-A317 VanDerWaalsContact O-O 3.07Å; W22-L320 HydrophobicContact CE3-CB 3.61Å; W22-L320 HydrophobicContact CZ3-CB 3.76Å; W22-L320 WeakPolarHBondContact CZ3-O 3.44Å; W22-P321 HydrophobicContact CB-CG 4.18Å; W22-P321 HydrophobicContact CD2-CB 4.46Å; W22-P321 HydrophobicContact CD2-CG 3.71Å; W22-P321 HydrophobicContact CE3-CB 4.29Å; W22-P321 HydrophobicContact CE3-CG 3.61Å; W22-P321 HydrophobicContact CG-CG 3.98Å; W22-P321 HydrophobicContact CZ3-CB 4.35Å; W22-P321 HydrophobicContact CZ3-CG 4.14Å; W22-W324 HydrophobicContact CH2-CB 3.58Å; W22-W324 AromaticContact CH2-CD1 3.93Å; W22-W324 AromaticContact CH2-CG 3.78Å; W22-W324 HydrophobicContact CH2-CG 3.78Å; W22-W324 HydrophobicContact CZ3-CB 4.05Å
23	Q	90.4	Very high	84.4	Confident	158 Å²	158	68.4 Å²	68.4	74%	0.738	39%	0.385	S	S	*	.	S	Bend	trans	-85.6	-18.7	-173.3	-63.2	-178.4	-26.7	0	0	113.4	S21 A317	S21-Q23 WeakPolarHBondContact OG-CB 3.37Å; S21-Q23 PolarHBondContact OG-N 2.74Å; S21-Q23 VanDerWaalsContact OG-N 3.08Å; Q23-A317 WeakPolarHBondContact O-CB 3.29Å
24	N	93.2	Very high	86.8	Confident	103 Å²	103	63 Å²	63	55%	0.551	35%	0.352	S	S	*	.	S	Bend	trans	-142	161.5	-175.6	-61.9	-56.9	0	0	0	111.1
25	H	95.7	Very high	89	Confident	18 Å²	18	55.5 Å²	55.5	8%	0.083	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-82.4	140.8	161.7	-60.2	81.7	0	0	0	108.8	V95 E99 W139 F314 P315	H25-V95 WeakPolarHBondContact CD2-CG2 3.41Å; H25-V95 WeakPolarHBondContact NE2-CG2 3.22Å; H25-E99 WeakPolarHBondContact CA-OE1 3.31Å; H25-W139 HydrophobicContact CB-CZ2 3.83Å; H25-F314 AromaticContact CE1-CE1 3.76Å; H25-F314 AromaticContact CG-CE1 3.83Å; H25-F314 AromaticContact ND1-CE1 3.58Å; H25-P315 PolarHBondContact CE1-O 2.97Å; H25-P315 PolarHBondContact NE2-O 3.1Å
26	H	96.5	Very high	91	Very high	12 Å²	12	53 Å²	53	6%	0.056	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-85.9	122.4	-171	-65.8	86.7	0	0	0	111.6	I20 S21 D30 I31 I34 R98 E99 I102	I20-H26 WeakPolarHBondContact CG2-CE1 3.41Å; I20-H26 WeakPolarHBondContact CG2-NE2 3.23Å; S21-H26 PolarHBondContact O-CE1 2.97Å; S21-H26 VanDerWaalsContact O-CE1 3.25Å; H26-D30 HydrophobicContact CB-CB 3.77Å; H26-I31 HydrophobicContact CB-CG1 4.23Å; H26-I34 VanDerWaalsContact CD2-CD1 3.44Å; H26-I34 WeakPolarHBondContact CD2-CD1 3.22Å; H26-R98 PolarHBondContact O-NE 3.25Å; H26-R98 PolarHBondContact O-NH2 3.08Å; H26-R98 VanDerWaalsContact O-NH2 3.15Å; H26-E99 IonicContact CE1-OE2 2.63Å; H26-E99 IonicContact CG-OE1 3.29Å; H26-E99 IonicContact CG-OE2 2.89Å; H26-E99 PolarHBondContact N-OE1 3.19Å; H26-E99 IonicContact ND1-OE1 3.68Å; H26-E99 PolarHBondContact ND1-OE1 3.34Å; H26-E99 IonicContact ND1-OE2 2.71Å; H26-E99 PolarHBondContact ND1-OE2 3.04Å; H26-I102 HydrophobicContact CB-CD1 3.91Å; H26-I102 WeakPolarHBondContact ND1-CD1 3.08Å
27	S	95.3	Very high	92.4	Very high	37 Å²	37	54.3 Å²	54.3	26%	0.259	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-62.3	169.6	173	69.5	0	0	0	0	112.3	A29 D30 I31 R98 W139	S27-A29 VanDerWaalsContact C-N 3.29Å; S27-A29 PolarHBondContact O-N 2.92Å; S27-D30 WeakPolarHBondContact CB-OD2 3.27Å; S27-D30 PolarHBondContact N-OD2 3.3Å; S27-D30 WeakPolarHBondContact O-CB 3.34Å; S27-D30 PolarHBondContact O-N 3.26Å; S27-D30 VanDerWaalsContact O-N 3.08Å; S27-D30 PolarHBondContact OG-N 2.75Å; S27-D30 PolarHBondContact OG-OD2 3.11Å; S27-I31 WeakPolarHBondContact O-CG1 3.41Å; S27-I31 PolarHBondContact O-N 2.68Å; S27-R98 PolarHBondContact O-NH2 2.89Å; S27-W139 VanDerWaalsContact CA-CH2 3.44Å
28	Q	95.1	Very high	93.6	Very high	7 Å²	7	49.7 Å²	49.7	3%	0.033	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-41.7	177.5	-167.4	62.4	9.2	0	0	112	D30 I31 E32 N63 R64 R98 P136	Q28-D30 VanDerWaalsContact C-N 3.29Å; Q28-D30 PolarHBondContact O-N 2.9Å; Q28-I31 PolarHBondContact O-N 2.89Å; Q28-E32 PolarHBondContact O-N 3.41Å; Q28-N63 HydrophobicContact CG-CB 4.48Å; Q28-R64 PolarHBondContact NE2-O 2.83Å; Q28-R98 VanDerWaalsContact CA-NH2 3.32Å; Q28-R98 VanDerWaalsContact N-NH2 3.18Å; Q28-P136 HydrophobicContact CB-CB 4.46Å; Q28-P136 HydrophobicContact CG-CB 4.16Å
29	A	95.1	Very high	94.3	Very high	66 Å²	66	50.7 Å²	50.7	55%	0.545	27%	0.268	S	S	.	.	H	α-helix	trans	-61.7	-36.2	173.8	0	0	0	0	0	112.7	S27 R33	S27-A29 VanDerWaalsContact C-N 3.29Å; S27-A29 PolarHBondContact O-N 2.92Å; A29-R33 WeakPolarHBondContact O-CB 3.4Å; A29-R33 PolarHBondContact O-N 2.83Å
30	D	95.8	Very high	95	Very high	37 Å²	37	53.4 Å²	53.4	20%	0.198	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-41.6	174.9	-63.5	-49.5	0	0	0	111.9	H26 S27 Q28 R33 I34	H26-D30 HydrophobicContact CB-CB 3.77Å; S27-D30 WeakPolarHBondContact CB-OD2 3.27Å; S27-D30 PolarHBondContact N-OD2 3.3Å; S27-D30 WeakPolarHBondContact O-CB 3.34Å; S27-D30 PolarHBondContact O-N 3.26Å; S27-D30 VanDerWaalsContact O-N 3.08Å; S27-D30 PolarHBondContact OG-N 2.75Å; S27-D30 PolarHBondContact OG-OD2 3.11Å; Q28-D30 VanDerWaalsContact C-N 3.29Å; Q28-D30 PolarHBondContact O-N 2.9Å; D30-R33 PolarHBondContact O-N 3.47Å; D30-R33 IonicContact OD1-CZ 3.37Å; D30-R33 IonicContact OD1-NH1 2.73Å; D30-R33 PolarHBondContact OD1-NH1 3.38Å; D30-R33 IonicContact OD1-NH2 4Å; D30-R33 PolarHBondContact OD1-NH2 3Å; D30-I34 WeakPolarHBondContact O-CB 3.32Å; D30-I34 WeakPolarHBondContact O-CD1 3.43Å; D30-I34 WeakPolarHBondContact O-CG1 2.73Å; D30-I34 PolarHBondContact O-N 2.91Å
31	I	96.2	Very high	95.4	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-48.4	176.9	-66.2	-160.8	0	0	0	110.8	H26 S27 Q28 R33 I34 V35 R98 I102 P132	H26-I31 HydrophobicContact CB-CG1 4.23Å; S27-I31 WeakPolarHBondContact O-CG1 3.41Å; S27-I31 PolarHBondContact O-N 2.68Å; Q28-I31 PolarHBondContact O-N 2.89Å; I31-R33 VanDerWaalsContact C-N 3.3Å; I31-R33 PolarHBondContact O-N 2.72Å; I31-I34 PolarHBondContact O-N 2.72Å; I31-V35 HydrophobicContact CG2-CG2 4.28Å; I31-V35 WeakPolarHBondContact O-CB 3.42Å; I31-V35 WeakPolarHBondContact O-CG2 3.15Å; I31-V35 PolarHBondContact O-N 2.58Å; I31-R98 HydrophobicContact CD1-CG 3.55Å; I31-R98 VanDerWaalsContact CD1-NE 3.29Å; I31-I102 HydrophobicContact CB-CG2 4.46Å; I31-I102 HydrophobicContact CD1-CG2 3.82Å; I31-I102 HydrophobicContact CG1-CG2 3.92Å; I31-I102 HydrophobicContact CG2-CG2 4.05Å; I31-P132 HydrophobicContact CD1-CB 3.83Å; I31-P132 HydrophobicContact CG2-CB 4.19Å; I31-P132 HydrophobicContact CG2-CG 4.07Å
32	E	95.5	Very high	95.7	Very high	63 Å²	63	53 Å²	53	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-58.4	-44.4	177.6	-70.7	-169.8	-178	0	0	111.4	Q28 G36 F66	Q28-E32 PolarHBondContact O-N 3.41Å; E32-G36 PolarHBondContact O-N 3.26Å; E32-F66 HydrophobicContact CB-CD1 4.39Å; E32-F66 HydrophobicContact CB-CE1 4.4Å; E32-F66 HydrophobicContact CG-CD1 3.99Å; E32-F66 HydrophobicContact CG-CE1 4.41Å; E32-F66 HydrophobicContact CG-CG 4.48Å
33	R	95.9	Very high	96	Very high	115 Å²	115	52.5 Å²	52.5	43%	0.434	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-44	176.2	-175.5	-175.7	67.2	-123.8	-3.6	112.6	A29 D30 I31 R37	A29-R33 WeakPolarHBondContact O-CB 3.4Å; A29-R33 PolarHBondContact O-N 2.83Å; D30-R33 PolarHBondContact O-N 3.47Å; D30-R33 IonicContact OD1-CZ 3.37Å; D30-R33 IonicContact OD1-NH1 2.73Å; D30-R33 PolarHBondContact OD1-NH1 3.38Å; D30-R33 IonicContact OD1-NH2 4Å; D30-R33 PolarHBondContact OD1-NH2 3Å; I31-R33 VanDerWaalsContact C-N 3.3Å; I31-R33 PolarHBondContact O-N 2.72Å; R33-R37 WeakPolarHBondContact O-CG 3.28Å; R33-R37 PolarHBondContact O-N 2.88Å; R33-R37 VanDerWaalsContact O-N 3.11Å
34	I	96.2	Very high	96.2	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-50.6	-179.5	-73.3	164.5	0	0	0	109.9	I20 H26 D30 I31 G36 R37 V38 I102 V106	I20-I34 HydrophobicContact CD1-CD1 4.36Å; I20-I34 HydrophobicContact CD1-CG2 3.79Å; I20-I34 HydrophobicContact CG1-CD1 4.2Å; I20-I34 HydrophobicContact CG1-CG1 4.47Å; I20-I34 HydrophobicContact CG1-CG2 4.21Å; I20-I34 HydrophobicContact CG2-CD1 4.36Å; H26-I34 VanDerWaalsContact CD2-CD1 3.44Å; H26-I34 WeakPolarHBondContact CD2-CD1 3.22Å; D30-I34 WeakPolarHBondContact O-CB 3.32Å; D30-I34 WeakPolarHBondContact O-CD1 3.43Å; D30-I34 WeakPolarHBondContact O-CG1 2.73Å; D30-I34 PolarHBondContact O-N 2.91Å; I31-I34 PolarHBondContact O-N 2.72Å; I34-G36 VanDerWaalsContact C-N 3.33Å; I34-G36 PolarHBondContact O-N 3.08Å; I34-R37 WeakPolarHBondContact O-CB 3.36Å; I34-R37 PolarHBondContact O-N 3.42Å; I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-V38 PolarHBondContact O-N 3.03Å; I34-I102 HydrophobicContact CD1-CD1 4.27Å; I34-V106 HydrophobicContact CG2-CG2 4.16Å
35	V	96.1	Very high	96.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-40.5	179.6	165.7	0	0	0	0	111	I31 R37 V38 V39 A48 F66 I68	I31-V35 HydrophobicContact CG2-CG2 4.28Å; I31-V35 WeakPolarHBondContact O-CB 3.42Å; I31-V35 WeakPolarHBondContact O-CG2 3.15Å; I31-V35 PolarHBondContact O-N 2.58Å; V35-R37 VanDerWaalsContact C-N 3.34Å; V35-R37 PolarHBondContact O-N 3.09Å; V35-V38 WeakPolarHBondContact O-CB 3.4Å; V35-V38 PolarHBondContact O-N 3.08Å; V35-V38 VanDerWaalsContact O-N 3.1Å; V35-V39 PolarHBondContact O-N 2.63Å; V35-A48 HydrophobicContact CG1-CB 3.9Å; V35-F66 HydrophobicContact CB-CD1 3.86Å; V35-F66 HydrophobicContact CB-CE1 3.38Å; V35-F66 HydrophobicContact CB-CZ 4.25Å; V35-F66 HydrophobicContact CG1-CD1 3.75Å; V35-F66 HydrophobicContact CG1-CE1 3.1Å; V35-F66 HydrophobicContact CG1-CE2 4.48Å; V35-F66 HydrophobicContact CG1-CZ 3.52Å; V35-F66 HydrophobicContact CG2-CD1 4.3Å; V35-F66 HydrophobicContact CG2-CE1 4.29Å; V35-I68 HydrophobicContact CG1-CB 3.77Å; V35-I68 HydrophobicContact CG1-CD1 4.07Å; V35-I68 HydrophobicContact CG1-CG1 4.29Å; V35-I68 HydrophobicContact CG1-CG2 4.43Å; V35-I68 HydrophobicContact CG2-CG2 4.34Å
36	G	96.5	Very high	96.6	Very high	24 Å²	24	46 Å²	46	25%	0.247	24%	0.241	C	C	.	.	H	α-helix	trans	-55.8	-46.3	173.1	0	0	0	0	0	112.5	E32 I34 V38 V39 E40	E32-G36 PolarHBondContact O-N 3.26Å; I34-G36 VanDerWaalsContact C-N 3.33Å; I34-G36 PolarHBondContact O-N 3.08Å; G36-V38 VanDerWaalsContact C-N 3.32Å; G36-V38 PolarHBondContact O-N 2.78Å; G36-V39 PolarHBondContact O-N 3.21Å; G36-E40 WeakPolarHBondContact O-CG 3.16Å; G36-E40 PolarHBondContact O-N 3.33Å
37	R	97	Very high	96.7	Very high	121 Å²	121	50.5 Å²	50.5	46%	0.457	26%	0.258	S	S	.	.	H	α-helix	trans	-63.4	-35	175.1	-73.2	178	178.5	-174.8	-0.6	113.2	I18 R33 I34 V35 R41	I18-R37 HydrophobicContact CD1-CB 4.1Å; I18-R37 WeakPolarHBondContact CD1-O 3.35Å; I18-R37 HydrophobicContact CG1-CB 4.28Å; R33-R37 WeakPolarHBondContact O-CG 3.28Å; R33-R37 PolarHBondContact O-N 2.88Å; R33-R37 VanDerWaalsContact O-N 3.11Å; I34-R37 WeakPolarHBondContact O-CB 3.36Å; I34-R37 PolarHBondContact O-N 3.42Å; V35-R37 VanDerWaalsContact C-N 3.34Å; V35-R37 PolarHBondContact O-N 3.09Å; R37-R41 VanDerWaalsContact O-CB 3.25Å; R37-R41 WeakPolarHBondContact O-CB 3.48Å; R37-R41 PolarHBondContact O-N 3.25Å
38	V	98.1	Very high	96.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-45.4	175.3	175.5	0	0	0	0	110.3	I18 I34 V35 G36 R41 C42 I68 F70 V106 C109	I18-V38 VanDerWaalsContact CD1-CA 3.47Å; I18-V38 HydrophobicContact CD1-CB 4.09Å; I18-V38 HydrophobicContact CD1-CG2 3.54Å; I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-V38 PolarHBondContact O-N 3.03Å; V35-V38 WeakPolarHBondContact O-CB 3.4Å; V35-V38 PolarHBondContact O-N 3.08Å; V35-V38 VanDerWaalsContact O-N 3.1Å; G36-V38 VanDerWaalsContact C-N 3.32Å; G36-V38 PolarHBondContact O-N 2.78Å; V38-R41 PolarHBondContact O-N 3.02Å; V38-C42 PolarHBondContact O-N 2.82Å; V38-I68 HydrophobicContact CB-CD1 3.98Å; V38-I68 HydrophobicContact CG1-CD1 3.53Å; V38-F70 HydrophobicContact CG1-CE1 4.11Å; V38-F70 HydrophobicContact CG1-CZ 3.68Å; V38-V106 HydrophobicContact CG2-CG2 3.63Å; V38-C109 HydrophobicContact CG1-CB 3.88Å
39	V	98.1	Very high	97	Very high	37 Å²	37	51.5 Å²	51.5	22%	0.224	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-43.8	176.9	176.5	0	0	0	0	111.8	V35 G36 R41 C42 P43 S46 A48 I68	V35-V39 PolarHBondContact O-N 2.63Å; G36-V39 PolarHBondContact O-N 3.21Å; V39-R41 VanDerWaalsContact C-N 3.27Å; V39-R41 PolarHBondContact O-N 3.28Å; V39-C42 CarbonylContact O-C 3.59Å; V39-C42 PolarHBondContact O-N 2.88Å; V39-P43 VanDerWaalsContact O-CA 3.3Å; V39-P43 WeakPolarHBondContact O-CA 3.3Å; V39-P43 VanDerWaalsContact O-N 3.13Å; V39-S46 WeakPolarHBondContact CA-OG 3.43Å; V39-A48 HydrophobicContact CG2-CB 3.81Å; V39-I68 HydrophobicContact CG2-CD1 4.06Å; V39-I68 HydrophobicContact CG2-CG1 4.45Å
40	E	97.2	Very high	97.2	Very high	156 Å²	156	51.6 Å²	51.6	73%	0.729	25%	0.248	S	C	*	.	H	α-helix	trans	-60.8	-35.8	175.9	-72.5	170.2	-178.2	0	0	112.7	G36	G36-E40 WeakPolarHBondContact O-CG 3.16Å; G36-E40 PolarHBondContact O-N 3.33Å
41	R	96.6	Very high	97.3	Very high	52 Å²	52	50.1 Å²	50.1	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-82.5	-32.3	-177.6	-177	175	170.8	86.2	1.8	113.1	S15 S16 I18 R37 V38 V39 P43 D110 I113	S15-R41 PolarHBondContact OG-NH1 3.28Å; S15-R41 PolarHBondContact OG-NH2 3.22Å; S16-R41 VanDerWaalsContact C-NH1 3.34Å; S16-R41 PolarHBondContact O-NH1 3.05Å; I18-R41 HydrophobicContact CD1-CB 4.16Å; R37-R41 VanDerWaalsContact O-CB 3.25Å; R37-R41 WeakPolarHBondContact O-CB 3.48Å; R37-R41 PolarHBondContact O-N 3.25Å; V38-R41 PolarHBondContact O-N 3.02Å; V39-R41 VanDerWaalsContact C-N 3.27Å; V39-R41 PolarHBondContact O-N 3.28Å; R41-P43 VanDerWaalsContact C-CD 3.4Å; R41-D110 IonicContact CZ-OD1 3.99Å; R41-D110 VanDerWaalsContact CZ-OD1 3.29Å; R41-D110 IonicContact NE-OD1 3.29Å; R41-D110 PolarHBondContact NE-OD1 2.8Å; R41-D110 IonicContact NH2-OD1 3.99Å; R41-D110 PolarHBondContact NH2-OD1 2.95Å; R41-I113 HydrophobicContact CG-CD1 3.66Å
42	C	97.3	Very high	97.4	Very high	6 Å²	6	52.2 Å²	52.2	4%	0.041	25%	0.253	C	S	.	.			trans	-127.5	55.5	-177.7	-72.3	0	0	0	0	112.6	V38 V39 D44 I45 S46 C109	V38-C42 PolarHBondContact O-N 2.82Å; V39-C42 CarbonylContact O-C 3.59Å; V39-C42 PolarHBondContact O-N 2.88Å; C42-D44 VanDerWaalsContact C-N 3.26Å; C42-D44 PolarHBondContact O-N 2.85Å; C42-I45 HydrophobicContact CB-CD1 4.21Å; C42-I45 HydrophobicContact CB-CG1 3.8Å; C42-I45 PolarHBondContact O-N 2.82Å; C42-S46 WeakPolarHBondContact O-CB 3.41Å; C42-S46 PolarHBondContact O-N 3.18Å; C42-S46 PolarHBondContact O-OG 2.79Å; C42-C109 HydrophobicContact CB-CB 3.85Å; C42-C109 WeakPolarHBondContact CB-SG 3.43Å; C42-C109 WeakPolarHBondContact SG-CA 3.27Å; C42-C109 WeakPolarHBondContact SG-CB 3.47Å; C42-C109 PolarHBondContact SG-O 3.24Å; C42-C109 VanDerWaalsContact SG-O 3.41Å; C42-C109 CovalentContact SG-SG 2.04Å; C42-C109 PolarHBondContact SG-SG 3.04Å
43	P	97.3	Very high	97.4	Very high	80 Å²	80	49.3 Å²	49.3	52%	0.519	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-28.5	-172.2	27.8	-36.3	0	0	0	113.1	V39 R41 I45	V39-P43 VanDerWaalsContact O-CA 3.3Å; V39-P43 WeakPolarHBondContact O-CA 3.3Å; V39-P43 VanDerWaalsContact O-N 3.13Å; R41-P43 VanDerWaalsContact C-CD 3.4Å; P43-I45 PolarHBondContact O-N 3.41Å
44	D	96.2	Very high	97.4	Very high	134 Å²	134	46.7 Å²	46.7	72%	0.717	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.1	-178.4	-62.4	-31	0	0	0	113.2	C42	C42-D44 VanDerWaalsContact C-N 3.26Å; C42-D44 PolarHBondContact O-N 2.85Å
45	I	98.3	Very high	97.3	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	0.4	-174.7	61.9	155.8	0	0	0	114.1	C42 P43 F70 G71 F112 V123	C42-I45 HydrophobicContact CB-CD1 4.21Å; C42-I45 HydrophobicContact CB-CG1 3.8Å; C42-I45 PolarHBondContact O-N 2.82Å; P43-I45 PolarHBondContact O-N 3.41Å; I45-F70 HydrophobicContact CD1-CD1 4.07Å; I45-F70 HydrophobicContact CD1-CE1 4.46Å; I45-F70 HydrophobicContact CG1-CD1 4.45Å; I45-F70 CarbonylContact O-C 3.6Å; I45-F70 WeakPolarHBondContact O-CA 3.21Å; I45-G71 CarbonylContact C-O 3.46Å; I45-G71 WeakPolarHBondContact CA-O 3.39Å; I45-G71 PolarHBondContact O-N 3.43Å; I45-F112 HydrophobicContact CD1-CB 3.6Å; I45-F112 HydrophobicContact CD1-CD1 3.59Å; I45-F112 HydrophobicContact CD1-CD2 3.84Å; I45-F112 HydrophobicContact CD1-CE1 4.19Å; I45-F112 HydrophobicContact CD1-CE2 4.41Å; I45-F112 HydrophobicContact CD1-CG 3.39Å; I45-F112 HydrophobicContact CG1-CD1 4.09Å; I45-F112 HydrophobicContact CG1-CE1 4.28Å; I45-F112 HydrophobicContact CG1-CG 4.33Å; I45-F112 HydrophobicContact CG2-CD1 4.22Å; I45-F112 HydrophobicContact CG2-CD2 4.19Å; I45-F112 HydrophobicContact CG2-CE1 3.67Å; I45-F112 HydrophobicContact CG2-CE2 3.63Å; I45-F112 HydrophobicContact CG2-CG 4.46Å; I45-F112 HydrophobicContact CG2-CZ 3.35Å; I45-V123 HydrophobicContact CB-CG1 3.78Å; I45-V123 HydrophobicContact CD1-CG1 4.25Å; I45-V123 HydrophobicContact CG2-CG1 3.9Å
46	S	98.7	Very high	97.4	Very high	6 Å²	6	60.9 Å²	60.9	4%	0.042	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.5	-175.3	68.3	0	0	0	0	113.1	V39 C42 A69	V39-S46 WeakPolarHBondContact CA-OG 3.43Å; C42-S46 WeakPolarHBondContact O-CB 3.41Å; C42-S46 PolarHBondContact O-N 3.18Å; C42-S46 PolarHBondContact O-OG 2.79Å; S46-A69 VanDerWaalsContact CA-O 3.24Å; S46-A69 WeakPolarHBondContact CA-O 3.41Å
47	Y	98.6	Very high	97.4	Very high	105 Å²	105	62.7 Å²	62.7	41%	0.412	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	135.8	-179.7	177.3	-103	0	0	0	108.8	Y49 A69 N75	Y47-Y49 HydrophobicContact CD1-CD1 4.01Å; Y47-Y49 HydrophobicContact CE1-CD1 4.05Å; Y47-Y49 HydrophobicContact CE1-CG 4.36Å; Y47-A69 PolarHBondContact N-O 3.2Å; Y47-A69 PolarHBondContact O-N 2.96Å; Y47-N75 HydrophobicContact CD1-CB 3.94Å; Y47-N75 HydrophobicContact CD2-CB 3.67Å; Y47-N75 HydrophobicContact CE1-CB 4.25Å; Y47-N75 HydrophobicContact CE2-CB 4.01Å; Y47-N75 HydrophobicContact CG-CB 3.63Å
48	A	98.5	Very high	97.5	Very high	23 Å²	23	59.2 Å²	59.2	19%	0.19	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.2	178.8	0	0	0	0	0	111.8	V35 V39 F66 V67	V35-A48 HydrophobicContact CG1-CB 3.9Å; V39-A48 HydrophobicContact CG2-CB 3.81Å; A48-F66 HydrophobicContact CB-CD2 4.45Å; A48-F66 HydrophobicContact CB-CE1 4.41Å; A48-F66 HydrophobicContact CB-CE2 3.44Å; A48-F66 VanDerWaalsContact CB-CE2 3.44Å; A48-F66 HydrophobicContact CB-CZ 3.41Å; A48-F66 VanDerWaalsContact CB-CZ 3.41Å; A48-V67 CarbonylContact C-O 3.57Å; A48-V67 WeakPolarHBondContact CA-O 3.39Å
49	Y	98.3	Very high	97.5	Very high	43 Å²	43	59.5 Å²	59.5	17%	0.169	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	166.1	-179.2	64.9	-85.6	0	0	0	110.7	Y47 L51 F66 V67 A69 H129 W205	Y47-Y49 HydrophobicContact CD1-CD1 4.01Å; Y47-Y49 HydrophobicContact CE1-CD1 4.05Å; Y47-Y49 HydrophobicContact CE1-CG 4.36Å; Y49-L51 HydrophobicContact CD2-CD2 4.41Å; Y49-L51 HydrophobicContact CE2-CD2 3.75Å; Y49-F66 WeakPolarHBondContact O-CD2 3.5Å; Y49-V67 HydrophobicContact CD1-CB 4.28Å; Y49-V67 HydrophobicContact CD1-CG1 4.5Å; Y49-V67 HydrophobicContact CD2-CB 4.31Å; Y49-V67 HydrophobicContact CE1-CB 3.82Å; Y49-V67 HydrophobicContact CE1-CG1 3.64Å; Y49-V67 HydrophobicContact CE2-CB 3.86Å; Y49-V67 HydrophobicContact CE2-CG1 4.25Å; Y49-V67 HydrophobicContact CE2-CG2 4.04Å; Y49-V67 VanDerWaalsContact CZ-CG1 3.48Å; Y49-V67 PolarHBondContact N-O 3.2Å; Y49-V67 PolarHBondContact O-N 3.3Å; Y49-V67 VanDerWaalsContact OH-CG1 3.31Å; Y49-V67 WeakPolarHBondContact OH-CG1 3.34Å; Y49-A69 HydrophobicContact CE1-CB 4.3Å; Y49-H129 AromaticContact CE1-ND1 3.67Å; Y49-H129 AromaticContact CZ-ND1 3.62Å; Y49-H129 PolarHBondContact OH-CE1 3.3Å; Y49-H129 PolarHBondContact OH-ND1 3.34Å; Y49-W205 AromaticContact CZ-NE1 4Å; Y49-W205 PolarHBondContact OH-NE1 2.96Å
50	Y	98.1	Very high	97.4	Very high	67 Å²	67	63.2 Å²	63.2	26%	0.263	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.6	179	-61.6	-82.7	0	0	0	110.5	R64 L65 F66	Y50-R64 HydrophobicContact CD1-CB 3.42Å; Y50-R64 VanDerWaalsContact CD1-CB 3.42Å; Y50-R64 HydrophobicContact CD1-CG 4.33Å; Y50-R64 HydrophobicContact CE1-CB 3.68Å; Y50-R64 HydrophobicContact CE1-CG 4.43Å; Y50-R64 VanDerWaalsContact CE2-CZ 3.45Å; Y50-R64 VanDerWaalsContact CE2-NH1 3.32Å; Y50-R64 HydrophobicContact CG-CB 4.32Å; Y50-L65 WeakPolarHBondContact CA-O 3.21Å; Y50-F66 HydrophobicContact CD1-CB 4.04Å; Y50-F66 AromaticContact CD1-CD2 3.61Å; Y50-F66 HydrophobicContact CD1-CD2 3.61Å; Y50-F66 HydrophobicContact CD1-CE2 4.43Å; Y50-F66 HydrophobicContact CD1-CG 4.19Å; Y50-F66 HydrophobicContact CD2-CD2 4.44Å; Y50-F66 HydrophobicContact CE1-CB 3.93Å; Y50-F66 AromaticContact CE1-CD2 3.37Å; Y50-F66 HydrophobicContact CE1-CD2 3.37Å; Y50-F66 AromaticContact CE1-CE2 3.98Å; Y50-F66 HydrophobicContact CE1-CE2 3.98Å; Y50-F66 AromaticContact CE1-CG 3.81Å; Y50-F66 HydrophobicContact CE1-CG 3.81Å; Y50-F66 HydrophobicContact CE2-CD2 4.22Å; Y50-F66 HydrophobicContact CE2-CE2 4.13Å; Y50-F66 HydrophobicContact CG-CD2 4.19Å; Y50-F66 AromaticContact CZ-CD2 3.72Å; Y50-F66 AromaticContact CZ-CE2 3.82Å
51	L	98.6	Very high	97.4	Very high	7 Å²	7	60 Å²	60	4%	0.037	31%	0.31	C	S	.	.			trans	-72.3	148.7	168.2	-52.5	-170.6	0	0	0	110.3	Y49 L65 V67 L131 M201 V202 W205	Y49-L51 HydrophobicContact CD2-CD2 4.41Å; Y49-L51 HydrophobicContact CE2-CD2 3.75Å; L51-L65 HydrophobicContact CB-CB 4.08Å; L51-L65 HydrophobicContact CD1-CB 4.27Å; L51-L65 HydrophobicContact CD1-CD1 4.3Å; L51-L65 HydrophobicContact CG-CB 4.15Å; L51-L65 PolarHBondContact N-O 2.71Å; L51-V67 HydrophobicContact CD1-CG2 4.5Å; L51-V67 HydrophobicContact CD2-CG2 3.73Å; L51-V67 HydrophobicContact CG-CG2 3.95Å; L51-L131 HydrophobicContact CD1-CD2 3.82Å; L51-M201 HydrophobicContact CB-CB 3.91Å; L51-M201 HydrophobicContact CB-CG 4.36Å; L51-M201 HydrophobicContact CB-SD 4.42Å; L51-M201 HydrophobicContact CD1-CB 4.44Å; L51-V202 HydrophobicContact CD1-CG2 4.23Å; L51-W205 HydrophobicContact CD1-CB 4.22Å; L51-W205 HydrophobicContact CD1-CD2 4.1Å; L51-W205 HydrophobicContact CD1-CE3 3.86Å; L51-W205 HydrophobicContact CD1-CG 4.29Å; L51-W205 HydrophobicContact CD2-CB 3.93Å; L51-W205 HydrophobicContact CD2-CD2 3.79Å; L51-W205 HydrophobicContact CD2-CE3 4.37Å; L51-W205 HydrophobicContact CD2-CG 3.57Å
52	T	98	Very high	97.5	Very high	45 Å²	45	59.6 Å²	59.6	28%	0.276	32%	0.323	S	S	.	.			trans	-144.1	151.7	-179.7	63.8	0	0	0	0	108.9	T56 T57	T52-T56 WeakPolarHBondContact CA-O 3.47Å; T52-T57 HydrophobicContact CG2-CG2 3.9Å
53	T	97	Very high	97.5	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.012	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-130	122.8	166.4	174.7	0	0	0	0	110.9	R55 T56 I197 R200 M201 E204	T53-R55 PolarHBondContact O-N 3.46Å; T53-R55 VanDerWaalsContact O-N 3.11Å; T53-T56 PolarHBondContact N-O 3.41Å; T53-T56 WeakPolarHBondContact O-CB 3.25Å; T53-T56 PolarHBondContact O-N 2.78Å; T53-I197 HydrophobicContact CG2-CD1 3.22Å; T53-I197 HydrophobicContact CG2-CG1 3.89Å; T53-R200 HydrophobicContact CG2-CB 3.95Å; T53-R200 PolarHBondContact OG1-NE 2.89Å; T53-R200 PolarHBondContact OG1-NH2 3.45Å; T53-M201 HydrophobicContact CG2-CG 3.85Å; T53-E204 VanDerWaalsContact CA-CD 3.45Å; T53-E204 WeakPolarHBondContact CA-OE1 3.36Å; T53-E204 WeakPolarHBondContact CA-OE2 3.47Å; T53-E204 WeakPolarHBondContact CB-OE1 3.11Å; T53-E204 PolarHBondContact OG1-OE1 2.77Å
54	G	94.5	Very high	97.5	Very high	59 Å²	59	60.7 Å²	60.7	61%	0.608	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	-116.2	-168	0	0	0	0	0	111.9	E204	G54-E204 PolarHBondContact N-OE1 2.97Å
55	R	95.4	Very high	97.6	Very high	248 Å²	248	54.3 Å²	54.3	94%	0.936	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.6	177.4	-63.2	-177.2	-178.2	177.2	1	113.8	T53	T53-R55 PolarHBondContact O-N 3.46Å; T53-R55 VanDerWaalsContact O-N 3.11Å
56	T	97.5	Very high	97.5	Very high	60 Å²	60	54.8 Å²	54.8	37%	0.368	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-89.1	128.2	-174.3	-56	0	0	0	0	110.6	T52 T53 T58 I197 M201	T52-T56 WeakPolarHBondContact CA-O 3.47Å; T53-T56 PolarHBondContact N-O 3.41Å; T53-T56 WeakPolarHBondContact O-CB 3.25Å; T53-T56 PolarHBondContact O-N 2.78Å; T56-T58 VanDerWaalsContact CG2-O 3.3Å; T56-T58 WeakPolarHBondContact CG2-O 2.98Å; T56-I197 HydrophobicContact CG2-CD1 3.64Å; T56-I197 HydrophobicContact CG2-CG1 3.78Å; T56-M201 HydrophobicContact CG2-CE 4.35Å
57	T	97.3	Very high	97.5	Very high	61 Å²	61	54.5 Å²	54.5	37%	0.374	28%	0.284	S	S	.	.			trans	-117	-0.5	-176.4	62.1	0	0	0	0	113.7	T52	T52-T57 HydrophobicContact CG2-CG2 3.9Å
58	T	98.4	Very high	97.5	Very high	49 Å²	49	49.5 Å²	49.5	30%	0.301	26%	0.264	S	S	.	.	S	Bend	trans	-135.2	157.5	-177.1	59.3	0	0	0	0	111.8	T56 N63 R64	T56-T58 VanDerWaalsContact CG2-O 3.3Å; T56-T58 WeakPolarHBondContact CG2-O 2.98Å; T58-N63 CarbonylContact C-O 3.46Å; T58-N63 WeakPolarHBondContact CA-O 3.36Å; T58-N63 WeakPolarHBondContact CB-O 3.38Å; T58-R64 HydrophobicContact CG2-CG 3.89Å
59	T	98	Very high	97.6	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.037	26%	0.255	C	S	.	.			trans	-66.6	178	163.7	68.6	0	0	0	0	110.7	N61 G62 N63 L65 P136 D137 E198	T59-N61 VanDerWaalsContact C-N 3.29Å; T59-N61 PolarHBondContact O-N 3.43Å; T59-G62 PolarHBondContact O-N 3.36Å; T59-G62 VanDerWaalsContact O-N 3.11Å; T59-N63 HydrophobicContact CG2-CB 4.21Å; T59-N63 PolarHBondContact N-O 3.01Å; T59-N63 WeakPolarHBondContact OG1-CB 3.43Å; T59-N63 PolarHBondContact OG1-N 3.48Å; T59-N63 VanDerWaalsContact OG1-N 3.1Å; T59-N63 PolarHBondContact OG1-O 2.68Å; T59-L65 HydrophobicContact CG2-CD2 4.06Å; T59-P136 HydrophobicContact CG2-CG 4.09Å; T59-D137 WeakPolarHBondContact CB-OD1 3.39Å; T59-D137 WeakPolarHBondContact CB-OD2 3.36Å; T59-D137 VanDerWaalsContact OG1-CG 3.25Å; T59-D137 PolarHBondContact OG1-OD1 3.04Å; T59-D137 PolarHBondContact OG1-OD2 3.4Å; T59-E198 WeakPolarHBondContact CB-OE1 3.38Å; T59-E198 HydrophobicContact CG2-CG 3.99Å
60	Q	96.6	Very high	97.6	Very high	115 Å²	115	46.3 Å²	46.3	54%	0.537	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-35.2	177.8	-179.8	66.5	58.9	0	0	112.8	G62 S156 K157	Q60-G62 VanDerWaalsContact C-N 3.3Å; Q60-S156 WeakPolarHBondContact CB-OG 3.5Å; Q60-K157 VanDerWaalsContact OE1-CE 3.26Å
61	N	97	Very high	97.6	Very high	87 Å²	87	43.2 Å²	43.2	47%	0.465	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	5.1	176.8	-66.1	-5.3	0	0	0	113.6	T59 D137 S156	T59-N61 VanDerWaalsContact C-N 3.29Å; T59-N61 PolarHBondContact O-N 3.43Å; N61-D137 WeakPolarHBondContact CB-OD2 3.47Å; N61-D137 PolarHBondContact N-OD2 3.06Å; N61-D137 VanDerWaalsContact N-OD2 3.09Å; N61-S156 WeakPolarHBondContact OD1-CB 3.44Å
62	G	97.3	Very high	97.5	Very high	45 Å²	45	49.2 Å²	49.2	46%	0.464	26%	0.258	S	S	.	.	S	Bend	trans	88.9	4.8	177.5	0	0	0	0	0	114.9	T59 Q60	T59-G62 PolarHBondContact O-N 3.36Å; T59-G62 VanDerWaalsContact O-N 3.11Å; Q60-G62 VanDerWaalsContact C-N 3.3Å
63	N	97.6	Very high	97.4	Very high	24 Å²	24	51.3 Å²	51.3	13%	0.128	26%	0.264	C	S	.	.			trans	-71.8	156.4	173.2	-73.4	-56.2	0	0	0	111.3	Q28 T58 T59 P136 D137 E140	Q28-N63 HydrophobicContact CG-CB 4.48Å; T58-N63 CarbonylContact C-O 3.46Å; T58-N63 WeakPolarHBondContact CA-O 3.36Å; T58-N63 WeakPolarHBondContact CB-O 3.38Å; T59-N63 HydrophobicContact CG2-CB 4.21Å; T59-N63 PolarHBondContact N-O 3.01Å; T59-N63 WeakPolarHBondContact OG1-CB 3.43Å; T59-N63 PolarHBondContact OG1-N 3.48Å; T59-N63 VanDerWaalsContact OG1-N 3.1Å; T59-N63 PolarHBondContact OG1-O 2.68Å; N63-P136 HydrophobicContact CB-CB 3.96Å; N63-P136 HydrophobicContact CB-CG 3.53Å; N63-D137 PolarHBondContact ND2-OD1 3.46Å; N63-E140 PolarHBondContact ND2-OE1 3.23Å; N63-E140 PolarHBondContact ND2-OE2 3.39Å; N63-E140 PolarHBondContact OD1-OE1 3.38Å
64	R	97.5	Very high	97.4	Very high	84 Å²	84	51.5 Å²	51.5	32%	0.317	27%	0.265	S	S	.	.			trans	-116.4	138.9	175.6	-56.2	177.5	73.5	-177.4	3.1	110	Q28 Y50 T58 F66	Q28-R64 PolarHBondContact NE2-O 2.83Å; Y50-R64 HydrophobicContact CD1-CB 3.42Å; Y50-R64 VanDerWaalsContact CD1-CB 3.42Å; Y50-R64 HydrophobicContact CD1-CG 4.33Å; Y50-R64 HydrophobicContact CE1-CB 3.68Å; Y50-R64 HydrophobicContact CE1-CG 4.43Å; Y50-R64 VanDerWaalsContact CE2-CZ 3.45Å; Y50-R64 VanDerWaalsContact CE2-NH1 3.32Å; Y50-R64 HydrophobicContact CG-CB 4.32Å; T58-R64 HydrophobicContact CG2-CG 3.89Å; R64-F66 PolarHBondContact O-N 3.23Å
65	L	98.1	Very high	97.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.263	C	S	.	.			trans	-81	107.5	175.5	-57.2	-165.3	0	0	0	109.1	Y50 L51 T59 L131 M134 P136 E198 M201	Y50-L65 WeakPolarHBondContact CA-O 3.21Å; L51-L65 HydrophobicContact CB-CB 4.08Å; L51-L65 HydrophobicContact CD1-CB 4.27Å; L51-L65 HydrophobicContact CD1-CD1 4.3Å; L51-L65 HydrophobicContact CG-CB 4.15Å; L51-L65 PolarHBondContact N-O 2.71Å; T59-L65 HydrophobicContact CG2-CD2 4.06Å; L65-L131 HydrophobicContact CB-CD1 4.08Å; L65-M134 VanDerWaalsContact CD2-O 3.26Å; L65-M134 WeakPolarHBondContact CD2-O 3.27Å; L65-P136 VanDerWaalsContact CD2-CD 3.47Å; L65-P136 HydrophobicContact CD2-CG 3.82Å; L65-E198 HydrophobicContact CD1-CB 4.4Å; L65-M201 HydrophobicContact CB-SD 4.49Å; L65-M201 HydrophobicContact CD1-CB 4.14Å; L65-M201 HydrophobicContact CD1-SD 3.91Å; L65-M201 HydrophobicContact CG-SD 3.91Å
66	F	97.2	Very high	97.6	Very high	14 Å²	14	44.1 Å²	44.1	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.2	-169.8	-168.3	-145	0	0	0	111.6	E32 V35 A48 Y49 Y50 R64 L131 P132	E32-F66 HydrophobicContact CB-CD1 4.39Å; E32-F66 HydrophobicContact CB-CE1 4.4Å; E32-F66 HydrophobicContact CG-CD1 3.99Å; E32-F66 HydrophobicContact CG-CE1 4.41Å; E32-F66 HydrophobicContact CG-CG 4.48Å; V35-F66 HydrophobicContact CB-CD1 3.86Å; V35-F66 HydrophobicContact CB-CE1 3.38Å; V35-F66 HydrophobicContact CB-CZ 4.25Å; V35-F66 HydrophobicContact CG1-CD1 3.75Å; V35-F66 HydrophobicContact CG1-CE1 3.1Å; V35-F66 HydrophobicContact CG1-CE2 4.48Å; V35-F66 HydrophobicContact CG1-CZ 3.52Å; V35-F66 HydrophobicContact CG2-CD1 4.3Å; V35-F66 HydrophobicContact CG2-CE1 4.29Å; A48-F66 HydrophobicContact CB-CD2 4.45Å; A48-F66 HydrophobicContact CB-CE1 4.41Å; A48-F66 HydrophobicContact CB-CE2 3.44Å; A48-F66 VanDerWaalsContact CB-CE2 3.44Å; A48-F66 HydrophobicContact CB-CZ 3.41Å; A48-F66 VanDerWaalsContact CB-CZ 3.41Å; Y49-F66 WeakPolarHBondContact O-CD2 3.5Å; Y50-F66 HydrophobicContact CD1-CB 4.04Å; Y50-F66 AromaticContact CD1-CD2 3.61Å; Y50-F66 HydrophobicContact CD1-CD2 3.61Å; Y50-F66 HydrophobicContact CD1-CE2 4.43Å; Y50-F66 HydrophobicContact CD1-CG 4.19Å; Y50-F66 HydrophobicContact CD2-CD2 4.44Å; Y50-F66 HydrophobicContact CE1-CB 3.93Å; Y50-F66 AromaticContact CE1-CD2 3.37Å; Y50-F66 HydrophobicContact CE1-CD2 3.37Å; Y50-F66 AromaticContact CE1-CE2 3.98Å; Y50-F66 HydrophobicContact CE1-CE2 3.98Å; Y50-F66 AromaticContact CE1-CG 3.81Å; Y50-F66 HydrophobicContact CE1-CG 3.81Å; Y50-F66 HydrophobicContact CE2-CD2 4.22Å; Y50-F66 HydrophobicContact CE2-CE2 4.13Å; Y50-F66 HydrophobicContact CG-CD2 4.19Å; Y50-F66 AromaticContact CZ-CD2 3.72Å; Y50-F66 AromaticContact CZ-CE2 3.82Å; R64-F66 PolarHBondContact O-N 3.23Å; F66-L131 WeakPolarHBondContact O-CD1 3.38Å; F66-P132 VanDerWaalsContact O-CD 3.24Å; F66-P132 WeakPolarHBondContact O-CD 3.48Å
67	V	98.7	Very high	97.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.5	-180	-175	0	0	0	0	109.7	A48 Y49 L51 H129 I130 L131 W205	A48-V67 CarbonylContact C-O 3.57Å; A48-V67 WeakPolarHBondContact CA-O 3.39Å; Y49-V67 HydrophobicContact CD1-CB 4.28Å; Y49-V67 HydrophobicContact CD1-CG1 4.5Å; Y49-V67 HydrophobicContact CD2-CB 4.31Å; Y49-V67 HydrophobicContact CE1-CB 3.82Å; Y49-V67 HydrophobicContact CE1-CG1 3.64Å; Y49-V67 HydrophobicContact CE2-CB 3.86Å; Y49-V67 HydrophobicContact CE2-CG1 4.25Å; Y49-V67 HydrophobicContact CE2-CG2 4.04Å; Y49-V67 VanDerWaalsContact CZ-CG1 3.48Å; Y49-V67 PolarHBondContact N-O 3.2Å; Y49-V67 PolarHBondContact O-N 3.3Å; Y49-V67 VanDerWaalsContact OH-CG1 3.31Å; Y49-V67 WeakPolarHBondContact OH-CG1 3.34Å; L51-V67 HydrophobicContact CD1-CG2 4.5Å; L51-V67 HydrophobicContact CD2-CG2 3.73Å; L51-V67 HydrophobicContact CG-CG2 3.95Å; V67-H129 HydrophobicContact CG1-CB 4.09Å; V67-I130 WeakPolarHBondContact CA-O 3.45Å; V67-I130 WeakPolarHBondContact CG1-O 3.43Å; V67-L131 HydrophobicContact CG2-CB 4.08Å; V67-L131 HydrophobicContact CG2-CD1 3.98Å; V67-L131 HydrophobicContact CG2-CG 4.47Å; V67-W205 HydrophobicContact CG1-CZ2 4.19Å; V67-W205 HydrophobicContact CG2-CZ2 4.44Å
68	I	98.8	Very high	97.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126	163.4	-174.8	170.4	0	0	0	109.4	V35 V38 V39 F70 A105 I130	V35-I68 HydrophobicContact CG1-CB 3.77Å; V35-I68 HydrophobicContact CG1-CD1 4.07Å; V35-I68 HydrophobicContact CG1-CG1 4.29Å; V35-I68 HydrophobicContact CG1-CG2 4.43Å; V35-I68 HydrophobicContact CG2-CG2 4.34Å; V38-I68 HydrophobicContact CB-CD1 3.98Å; V38-I68 HydrophobicContact CG1-CD1 3.53Å; V39-I68 HydrophobicContact CG2-CD1 4.06Å; V39-I68 HydrophobicContact CG2-CG1 4.45Å; I68-F70 HydrophobicContact CD1-CE1 4.43Å; I68-F70 HydrophobicContact CD1-CE2 3.64Å; I68-F70 HydrophobicContact CD1-CZ 3.58Å; I68-F70 HydrophobicContact CG1-CD2 4.29Å; I68-F70 HydrophobicContact CG1-CE2 3.78Å; I68-F70 HydrophobicContact CG1-CZ 4.2Å; I68-F70 HydrophobicContact CG2-CE2 4.07Å; I68-A105 HydrophobicContact CD1-CB 4.46Å; I68-A105 HydrophobicContact CG2-CB 4.01Å; I68-I130 HydrophobicContact CG2-CB 3.88Å; I68-I130 HydrophobicContact CG2-CG2 4.38Å; I68-I130 PolarHBondContact N-O 2.8Å; I68-I130 PolarHBondContact O-N 3.5Å
69	A	98.9	Very high	97.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	142.7	169.7	0	0	0	0	0	110	S46 Y47 Y49 A74 I128	S46-A69 VanDerWaalsContact CA-O 3.24Å; S46-A69 WeakPolarHBondContact CA-O 3.41Å; Y47-A69 PolarHBondContact N-O 3.2Å; Y47-A69 PolarHBondContact O-N 2.96Å; Y49-A69 HydrophobicContact CE1-CB 4.3Å; A69-A74 HydrophobicContact CB-CB 4.33Å; A69-A74 WeakPolarHBondContact CB-O 3.5Å; A69-I128 CarbonylContact C-O 3.59Å; A69-I128 WeakPolarHBondContact CA-O 3.46Å
70	F	98.9	Very high	97.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.8	165.8	-69.5	-93.6	0	0	0	110	V38 I45 I68 A105 L108 C109 V123 R127 I128 I130	V38-F70 HydrophobicContact CG1-CE1 4.11Å; V38-F70 HydrophobicContact CG1-CZ 3.68Å; I45-F70 HydrophobicContact CD1-CD1 4.07Å; I45-F70 HydrophobicContact CD1-CE1 4.46Å; I45-F70 HydrophobicContact CG1-CD1 4.45Å; I45-F70 CarbonylContact O-C 3.6Å; I45-F70 WeakPolarHBondContact O-CA 3.21Å; I68-F70 HydrophobicContact CD1-CE1 4.43Å; I68-F70 HydrophobicContact CD1-CE2 3.64Å; I68-F70 HydrophobicContact CD1-CZ 3.58Å; I68-F70 HydrophobicContact CG1-CD2 4.29Å; I68-F70 HydrophobicContact CG1-CE2 3.78Å; I68-F70 HydrophobicContact CG1-CZ 4.2Å; I68-F70 HydrophobicContact CG2-CE2 4.07Å; F70-A105 HydrophobicContact CE2-CB 3.85Å; F70-A105 HydrophobicContact CZ-CB 3.99Å; F70-A105 VanDerWaalsContact CZ-O 3.23Å; F70-A105 WeakPolarHBondContact CZ-O 3.31Å; F70-L108 HydrophobicContact CB-CD1 4.47Å; F70-L108 HydrophobicContact CD1-CB 4.15Å; F70-L108 HydrophobicContact CD1-CD1 4.48Å; F70-L108 HydrophobicContact CD2-CD1 3.71Å; F70-L108 HydrophobicContact CE1-CB 3.95Å; F70-L108 HydrophobicContact CE2-CB 4.47Å; F70-L108 HydrophobicContact CE2-CD1 3.98Å; F70-L108 HydrophobicContact CG-CB 4.47Å; F70-L108 HydrophobicContact CG-CD1 3.97Å; F70-L108 HydrophobicContact CZ-CB 4.11Å; F70-L108 HydrophobicContact CZ-CD1 4.44Å; F70-C109 HydrophobicContact CE1-CB 4.35Å; F70-V123 HydrophobicContact CB-CG2 4.47Å; F70-R127 CarbonylContact O-C 3.33Å; F70-R127 VanDerWaalsContact O-CA 3.27Å; F70-R127 WeakPolarHBondContact O-CA 3.24Å; F70-I128 HydrophobicContact CB-CB 4.38Å; F70-I128 PolarHBondContact N-O 2.74Å; F70-I128 PolarHBondContact O-N 3.46Å; F70-I130 HydrophobicContact CD2-CD1 4.37Å; F70-I130 HydrophobicContact CE2-CD1 4.26Å
71	G	98.5	Very high	97.3	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	175.4	165.6	176.7	0	0	0	0	0	110.9	I45 H73 A74 V123	I45-G71 CarbonylContact C-O 3.46Å; I45-G71 WeakPolarHBondContact CA-O 3.39Å; I45-G71 PolarHBondContact O-N 3.43Å; G71-H73 PolarHBondContact O-N 2.85Å; G71-A74 PolarHBondContact O-N 3.25Å; G71-V123 CarbonylContact C-O 3.56Å; G71-V123 VanDerWaalsContact CA-O 3.28Å; G71-V123 WeakPolarHBondContact CA-O 3.34Å
72	R	95.9	Very high	97.4	Very high	133 Å²	133	36.7 Å²	36.7	50%	0.502	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-41.5	172.5	-177.2	-174.8	170.5	-162.7	0.7	112.6	E78 V123	R72-E78 IonicContact CZ-OE1 3.89Å; R72-E78 IonicContact NH1-OE1 3.01Å; R72-E78 PolarHBondContact NH1-OE1 2.85Å; R72-V123 PolarHBondContact N-O 3.01Å
73	H	96	Very high	97.5	Very high	89 Å²	89	34.9 Å²	34.9	41%	0.412	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	77.4	169.5	-54.3	109.1	0	0	0	108.5	G71 N75 A76 E78	G71-H73 PolarHBondContact O-N 2.85Å; H73-N75 PolarHBondContact O-N 3.47Å; H73-A76 PolarHBondContact O-N 3.21Å; H73-E78 IonicContact CE1-OE2 3.51Å; H73-E78 IonicContact CG-OE2 3.75Å; H73-E78 IonicContact ND1-OE2 3.44Å; H73-E78 PolarHBondContact ND1-OE2 2.78Å
74	A	97.9	Very high	97.5	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.041	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.5	-170.1	0	0	0	0	0	115.1	A69 G71 R127	A69-A74 HydrophobicContact CB-CB 4.33Å; A69-A74 WeakPolarHBondContact CB-O 3.5Å; G71-A74 PolarHBondContact O-N 3.25Å; A74-R127 PolarHBondContact O-NE 3.25Å; A74-R127 PolarHBondContact O-NH2 3.41Å
75	N	97.6	Very high	97.6	Very high	103 Å²	103	29.8 Å²	29.8	55%	0.551	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-13	-176.9	65.8	-22.4	0	0	0	114.9	Y47 H73 R127	Y47-N75 HydrophobicContact CD1-CB 3.94Å; Y47-N75 HydrophobicContact CD2-CB 3.67Å; Y47-N75 HydrophobicContact CE1-CB 4.25Å; Y47-N75 HydrophobicContact CE2-CB 4.01Å; Y47-N75 HydrophobicContact CG-CB 3.63Å; H73-N75 PolarHBondContact O-N 3.47Å; N75-R127 VanDerWaalsContact C-NH2 3.35Å
76	A	96.9	Very high	97.6	Very high	49 Å²	49	29.8 Å²	29.8	41%	0.405	15%	0.153	S	C	.	.	S	Bend	trans	-145.3	153.5	-177.6	0	0	0	0	0	112	H73 R127	H73-A76 PolarHBondContact O-N 3.21Å; A76-R127 VanDerWaalsContact C-CZ 3.44Å; A76-R127 WeakPolarHBondContact O-CD 3.33Å; A76-R127 PolarHBondContact O-NE 2.91Å
77	S	96.8	Very high	97.7	Very high	38 Å²	38	29.2 Å²	29.2	27%	0.266	15%	0.151	S	C	.	.			trans	-68.7	138.2	170.5	-60.5	0	0	0	0	109.5	E83 R127	S77-E83 WeakPolarHBondContact CA-OE1 3.4Å; S77-E83 VanDerWaalsContact CB-OE1 3.25Å; S77-E83 WeakPolarHBondContact CB-OE1 3.45Å; S77-E83 PolarHBondContact OG-OE1 3.11Å; S77-R127 PolarHBondContact OG-NH1 2.61Å; S77-R127 VanDerWaalsContact OG-NH1 3.12Å
78	E	95.8	Very high	97.7	Very high	48 Å²	48	29.2 Å²	29.2	22%	0.224	15%	0.151	C	C	.	.			trans	-122.4	143.7	-178.5	-179.4	179.2	166.1	0	0	109.9	R72 H73 G80 I81	R72-E78 IonicContact CZ-OE1 3.89Å; R72-E78 IonicContact NH1-OE1 3.01Å; R72-E78 PolarHBondContact NH1-OE1 2.85Å; H73-E78 IonicContact CE1-OE2 3.51Å; H73-E78 IonicContact CG-OE2 3.75Å; H73-E78 IonicContact ND1-OE2 3.44Å; H73-E78 PolarHBondContact ND1-OE2 2.78Å; E78-G80 PolarHBondContact O-N 3.43Å; E78-I81 HydrophobicContact CB-CB 4.25Å; E78-I81 HydrophobicContact CB-CG1 3.86Å; E78-I81 HydrophobicContact CG-CG1 3.93Å; E78-I81 WeakPolarHBondContact O-CB 3.46Å; E78-I81 PolarHBondContact O-N 3.47Å
79	R	94.8	Very high	97.7	Very high	96 Å²	96	29.2 Å²	29.2	36%	0.362	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	132.9	177.5	-162.1	-174.4	-151.2	177.9	21.7	112.6	I81 Y347 F385 D387	R79-I81 PolarHBondContact O-N 2.83Å; R79-Y347 PolarHBondContact NH1-OH 3.36Å; R79-Y347 PolarHBondContact NH2-OH 3.26Å; R79-F385 HydrophobicContact CG-CB 4.25Å; R79-F385 PolarHBondContact NH2-O 2.05Å; R79-D387 VanDerWaalsContact CA-OD2 3.27Å; R79-D387 WeakPolarHBondContact CA-OD2 3.38Å; R79-D387 WeakPolarHBondContact CG-OD2 3.21Å; R79-D387 IonicContact NE-OD1 3.59Å
80	G	95.6	Very high	97.7	Very high	24 Å²	24	29.3 Å²	29.3	25%	0.247	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	5.3	176.1	0	0	0	0	0	114.2	E78 K343 D387 Y389	E78-G80 PolarHBondContact O-N 3.43Å; G80-K343 PolarHBondContact O-NZ 2.92Å; G80-D387 PolarHBondContact N-OD2 3.01Å; G80-Y389 VanDerWaalsContact CA-OH 3.26Å; G80-Y389 WeakPolarHBondContact CA-OH 3.44Å; G80-Y389 PolarHBondContact N-OH 2.74Å
81	I	98	Very high	97.7	Very high	15 Å²	15	29.4 Å²	29.4	8%	0.077	15%	0.152	C	C	.	.			trans	-101.9	110.8	175	-56.1	-58.7	0	0	0	109.2	E78 R79 R127 Y389	E78-I81 HydrophobicContact CB-CB 4.25Å; E78-I81 HydrophobicContact CB-CG1 3.86Å; E78-I81 HydrophobicContact CG-CG1 3.93Å; E78-I81 WeakPolarHBondContact O-CB 3.46Å; E78-I81 PolarHBondContact O-N 3.47Å; R79-I81 PolarHBondContact O-N 2.83Å; I81-R127 HydrophobicContact CG2-CB 3.99Å; I81-Y389 VanDerWaalsContact C-OH 3.25Å; I81-Y389 PolarHBondContact N-OH 3.35Å; I81-Y389 PolarHBondContact O-OH 2.78Å
82	P	98.6	Very high	97.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.151	C	C	.	.			trans	-69.1	146.1	177.7	27.7	-34.2	0	0	0	111.4	R125 R127 V212 V338 Y389	P82-R125 WeakPolarHBondContact CD-O 3.46Å; P82-R127 PolarHBondContact O-N 2.93Å; P82-V212 HydrophobicContact CB-CB 4.48Å; P82-V212 HydrophobicContact CB-CG2 3.94Å; P82-V338 HydrophobicContact CB-CG1 4.42Å; P82-V338 HydrophobicContact CB-CG2 3.68Å; P82-V338 HydrophobicContact CG-CG1 3.91Å; P82-V338 HydrophobicContact CG-CG2 4.11Å; P82-Y389 HydrophobicContact CB-CD1 3.68Å; P82-Y389 HydrophobicContact CB-CE1 3.72Å; P82-Y389 HydrophobicContact CB-CG 4.16Å; P82-Y389 HydrophobicContact CG-CD1 4.36Å; P82-Y389 HydrophobicContact CG-CE1 4.22Å
83	E	98.8	Very high	97.7	Very high	7 Å²	7	23.3 Å²	23.3	3%	0.033	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.9	175.7	-57.1	-73.5	-168.2	0	0	109.9	S77 R127 H129 I209 N210 F211 V212	S77-E83 WeakPolarHBondContact CA-OE1 3.4Å; S77-E83 VanDerWaalsContact CB-OE1 3.25Å; S77-E83 WeakPolarHBondContact CB-OE1 3.45Å; S77-E83 PolarHBondContact OG-OE1 3.11Å; E83-R127 IonicContact OE1-CZ 3.45Å; E83-R127 IonicContact OE1-NH1 3.8Å; E83-R127 PolarHBondContact OE1-NH1 2.8Å; E83-R127 WeakPolarHBondContact OE2-CB 3.19Å; E83-R127 VanDerWaalsContact OE2-CD 3.28Å; E83-R127 WeakPolarHBondContact OE2-CD 3.24Å; E83-R127 VanDerWaalsContact OE2-CG 3.24Å; E83-R127 WeakPolarHBondContact OE2-CG 3.32Å; E83-R127 IonicContact OE2-NH1 3.72Å; E83-H129 IonicContact OE2-CD2 2.71Å; E83-H129 IonicContact OE2-NE2 3.65Å; E83-H129 PolarHBondContact OE2-NE2 3.12Å; E83-I209 HydrophobicContact CB-CG2 3.87Å; E83-I209 HydrophobicContact CG-CG2 3.7Å; E83-N210 WeakPolarHBondContact CB-O 3.28Å; E83-F211 HydrophobicContact CB-CD1 3.91Å; E83-F211 HydrophobicContact CB-CE1 4.27Å; E83-V212 PolarHBondContact O-N 3.23Å
84	F	98.9	Very high	97.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.8	176.3	174.8	-82.5	0	0	0	110.1	Y86 T126 R127 I128 H129 L213 Y334 I335 V338	F84-Y86 AromaticContact CE1-CD1 3.98Å; F84-Y86 HydrophobicContact CE1-CD1 3.98Å; F84-Y86 AromaticContact CE1-CD2 3.49Å; F84-Y86 HydrophobicContact CE1-CD2 3.49Å; F84-Y86 VanDerWaalsContact CE1-CD2 3.49Å; F84-Y86 HydrophobicContact CE1-CE1 4.11Å; F84-Y86 AromaticContact CE1-CE2 3.62Å; F84-Y86 HydrophobicContact CE1-CE2 3.62Å; F84-Y86 AromaticContact CE1-CG 3.66Å; F84-Y86 HydrophobicContact CE1-CG 3.66Å; F84-Y86 AromaticContact CE1-CZ 3.92Å; F84-Y86 AromaticContact CZ-CD1 3.81Å; F84-Y86 HydrophobicContact CZ-CD1 3.81Å; F84-Y86 AromaticContact CZ-CD2 3.96Å; F84-Y86 HydrophobicContact CZ-CD2 3.96Å; F84-Y86 AromaticContact CZ-CE1 3.57Å; F84-Y86 HydrophobicContact CZ-CE1 3.57Å; F84-Y86 AromaticContact CZ-CE2 3.71Å; F84-Y86 HydrophobicContact CZ-CE2 3.71Å; F84-Y86 AromaticContact CZ-CG 3.99Å; F84-Y86 HydrophobicContact CZ-CG 3.99Å; F84-Y86 AromaticContact CZ-CZ 3.5Å; F84-Y86 VanDerWaalsContact CZ-CZ 3.5Å; F84-T126 HydrophobicContact CB-CG2 3.82Å; F84-R127 PolarHBondContact N-O 3.1Å; F84-I128 HydrophobicContact CD1-CG2 3.9Å; F84-I128 HydrophobicContact CE1-CG2 4.49Å; F84-H129 PolarHBondContact O-N 3.16Å; F84-L213 CarbonylContact C-O 3.19Å; F84-L213 VanDerWaalsContact CA-O 3.28Å; F84-L213 WeakPolarHBondContact CA-O 3.46Å; F84-L213 HydrophobicContact CD2-CB 3.94Å; F84-L213 HydrophobicContact CD2-CD2 4.01Å; F84-L213 HydrophobicContact CD2-CG 3.97Å; F84-L213 WeakPolarHBondContact CD2-O 3.45Å; F84-L213 HydrophobicContact CE2-CB 4.32Å; F84-L213 HydrophobicContact CE2-CD2 3.88Å; F84-L213 HydrophobicContact CE2-CG 3.85Å; F84-Y334 AromaticContact CE2-CD1 3.7Å; F84-Y334 HydrophobicContact CE2-CD1 3.7Å; F84-Y334 AromaticContact CE2-CE1 3.73Å; F84-Y334 HydrophobicContact CE2-CE1 3.73Å; F84-Y334 AromaticContact CZ-CD1 3.78Å; F84-Y334 HydrophobicContact CZ-CD1 3.78Å; F84-Y334 AromaticContact CZ-CE1 3.99Å; F84-Y334 HydrophobicContact CZ-CE1 3.99Å; F84-I335 HydrophobicContact CD1-CG1 3.96Å; F84-I335 HydrophobicContact CD1-CG2 4.24Å; F84-I335 HydrophobicContact CD2-CG2 4.41Å; F84-I335 HydrophobicContact CE1-CB 4.46Å; F84-I335 HydrophobicContact CE1-CG1 3.57Å; F84-I335 HydrophobicContact CE2-CB 4.43Å; F84-I335 HydrophobicContact CE2-CG1 4.22Å; F84-I335 HydrophobicContact CG-CG1 4.47Å; F84-I335 HydrophobicContact CG-CG2 4.15Å; F84-I335 HydrophobicContact CZ-CB 4.41Å; F84-I335 HydrophobicContact CZ-CG1 3.71Å; F84-V338 HydrophobicContact CB-CG2 4.47Å; F84-V338 HydrophobicContact CD2-CB 4.43Å
85	K	98.9	Very high	97.6	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144	170.2	63.2	171.5	-177.4	-85.5	0	115.8	H129 W205 L206 F211 L213 G214 A215 N296 S302 E304	K85-H129 CarbonylContact C-O 3.58Å; K85-H129 VanDerWaalsContact CA-O 3.26Å; K85-H129 WeakPolarHBondContact CA-O 3.24Å; K85-H129 HydrophobicContact CB-CB 4.34Å; K85-W205 HydrophobicContact CB-CH2 3.88Å; K85-W205 HydrophobicContact CB-CZ2 4.32Å; K85-W205 HydrophobicContact CD-CH2 3.97Å; K85-W205 HydrophobicContact CD-CZ3 3.96Å; K85-L206 HydrophobicContact CD-CD2 4.22Å; K85-L206 VanDerWaalsContact NZ-CD2 3.31Å; K85-F211 HydrophobicContact CB-CD1 3.79Å; K85-F211 HydrophobicContact CB-CE1 3.62Å; K85-F211 HydrophobicContact CB-CG 4.44Å; K85-F211 HydrophobicContact CB-CZ 4.1Å; K85-F211 HydrophobicContact CD-CD1 4.19Å; K85-F211 HydrophobicContact CD-CD2 3.93Å; K85-F211 HydrophobicContact CD-CE1 4.35Å; K85-F211 HydrophobicContact CD-CE2 4.05Å; K85-F211 HydrophobicContact CD-CG 4Å; K85-F211 HydrophobicContact CD-CZ 4.29Å; K85-F211 HydrophobicContact CG-CD1 3.86Å; K85-F211 HydrophobicContact CG-CD2 4.49Å; K85-F211 HydrophobicContact CG-CE1 4.15Å; K85-F211 HydrophobicContact CG-CG 4.07Å; K85-L213 PolarHBondContact N-O 3.46Å; K85-G214 CarbonylContact O-C 3.56Å; K85-G214 WeakPolarHBondContact O-CA 3.36Å; K85-A215 PolarHBondContact O-N 2.61Å; K85-A215 VanDerWaalsContact O-N 3.08Å; K85-N296 VanDerWaalsContact CE-OD1 3.24Å; K85-N296 WeakPolarHBondContact CE-OD1 3.27Å; K85-N296 PolarHBondContact NZ-OD1 2.95Å; K85-S302 PolarHBondContact NZ-OG 3.5Å; K85-E304 WeakPolarHBondContact CE-OE2 3.26Å; K85-E304 IonicContact NZ-OE2 3.7Å
86	Y	99	Very high	97.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.5	155.5	-80.5	-48.9	0	0	0	110.8	F84 L101 L104 H129 L131 A215 M217 L307 L331 Y334 I335	F84-Y86 AromaticContact CE1-CD1 3.98Å; F84-Y86 HydrophobicContact CE1-CD1 3.98Å; F84-Y86 AromaticContact CE1-CD2 3.49Å; F84-Y86 HydrophobicContact CE1-CD2 3.49Å; F84-Y86 VanDerWaalsContact CE1-CD2 3.49Å; F84-Y86 HydrophobicContact CE1-CE1 4.11Å; F84-Y86 AromaticContact CE1-CE2 3.62Å; F84-Y86 HydrophobicContact CE1-CE2 3.62Å; F84-Y86 AromaticContact CE1-CG 3.66Å; F84-Y86 HydrophobicContact CE1-CG 3.66Å; F84-Y86 AromaticContact CE1-CZ 3.92Å; F84-Y86 AromaticContact CZ-CD1 3.81Å; F84-Y86 HydrophobicContact CZ-CD1 3.81Å; F84-Y86 AromaticContact CZ-CD2 3.96Å; F84-Y86 HydrophobicContact CZ-CD2 3.96Å; F84-Y86 AromaticContact CZ-CE1 3.57Å; F84-Y86 HydrophobicContact CZ-CE1 3.57Å; F84-Y86 AromaticContact CZ-CE2 3.71Å; F84-Y86 HydrophobicContact CZ-CE2 3.71Å; F84-Y86 AromaticContact CZ-CG 3.99Å; F84-Y86 HydrophobicContact CZ-CG 3.99Å; F84-Y86 AromaticContact CZ-CZ 3.5Å; F84-Y86 VanDerWaalsContact CZ-CZ 3.5Å; Y86-L101 HydrophobicContact CD2-CD2 3.86Å; Y86-L101 HydrophobicContact CG-CD2 3.87Å; Y86-L104 HydrophobicContact CD2-CD2 3.83Å; Y86-L104 HydrophobicContact CE2-CD2 3.94Å; Y86-H129 PolarHBondContact N-O 3.28Å; Y86-L131 PolarHBondContact O-N 2.95Å; Y86-A215 HydrophobicContact CD1-CB 3.95Å; Y86-A215 HydrophobicContact CE1-CB 3.76Å; Y86-M217 HydrophobicContact CD1-CE 3.44Å; Y86-M217 VanDerWaalsContact CD1-CE 3.44Å; Y86-M217 HydrophobicContact CD2-CE 4.22Å; Y86-M217 HydrophobicContact CE1-CE 3.7Å; Y86-M217 HydrophobicContact CE2-CE 4.44Å; Y86-M217 HydrophobicContact CG-CE 3.74Å; Y86-L307 HydrophobicContact CE1-CD1 4.38Å; Y86-L331 HydrophobicContact CD2-CD2 4.39Å; Y86-L331 HydrophobicContact CE1-CD2 4.26Å; Y86-L331 HydrophobicContact CE2-CB 4.32Å; Y86-L331 HydrophobicContact CE2-CD2 3.75Å; Y86-L331 WeakPolarHBondContact OH-CA 3.2Å; Y86-L331 PolarHBondContact OH-O 3.48Å; Y86-Y334 AromaticContact CE1-CD1 3.82Å; Y86-Y334 HydrophobicContact CE1-CD1 3.82Å; Y86-Y334 HydrophobicContact CE1-CE1 4.26Å; Y86-Y334 AromaticContact CZ-CD1 3.89Å; Y86-Y334 WeakPolarHBondContact OH-CB 3.33Å; Y86-Y334 VanDerWaalsContact OH-CD1 3.3Å; Y86-Y334 WeakPolarHBondContact OH-CD1 3.41Å; Y86-I335 HydrophobicContact CD2-CD1 4.48Å; Y86-I335 HydrophobicContact CD2-CG1 4.41Å; Y86-I335 HydrophobicContact CE2-CD1 3.82Å; Y86-I335 HydrophobicContact CE2-CG1 3.61Å
87	I	98.9	Very high	97.7	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.9	173.7	-177	169.8	0	0	0	108.8	L131 M134 V202 A215 N216 M217 M292	I87-L131 WeakPolarHBondContact CA-O 3.45Å; I87-L131 HydrophobicContact CB-CB 4.39Å; I87-L131 HydrophobicContact CD1-CD2 3.64Å; I87-L131 HydrophobicContact CD1-CG 4.49Å; I87-L131 HydrophobicContact CG1-CB 4.23Å; I87-L131 HydrophobicContact CG1-CD2 3.8Å; I87-L131 HydrophobicContact CG1-CG 4.11Å; I87-M134 HydrophobicContact CD1-CB 3.87Å; I87-M134 HydrophobicContact CD1-CG 4.03Å; I87-M134 HydrophobicContact CD1-SD 3.63Å; I87-M134 HydrophobicContact CG1-CB 4.03Å; I87-V202 HydrophobicContact CD1-CG1 4.46Å; I87-V202 HydrophobicContact CD1-CG2 3.93Å; I87-A215 PolarHBondContact N-O 3Å; I87-A215 VanDerWaalsContact N-O 3.07Å; I87-N216 HydrophobicContact CG2-CB 3.5Å; I87-N216 VanDerWaalsContact CG2-CB 3.5Å; I87-N216 CarbonylContact O-C 3.55Å; I87-N216 VanDerWaalsContact O-CA 3.28Å; I87-N216 WeakPolarHBondContact O-CA 3.48Å; I87-M217 PolarHBondContact O-N 3.49Å; I87-M292 HydrophobicContact CD1-CE 4.08Å; I87-M292 HydrophobicContact CD1-SD 3.94Å; I87-M292 HydrophobicContact CG2-CE 3.56Å
88	A	98.8	Very high	97.8	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.008	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	167.5	178.6	0	0	0	0	0	112	M90 L101 L131 S133 M134 M217	A88-M90 PolarHBondContact O-N 2.86Å; A88-L101 HydrophobicContact CB-CD1 3.56Å; A88-L101 HydrophobicContact CB-CG 4.23Å; A88-L131 PolarHBondContact N-O 2.81Å; A88-L131 VanDerWaalsContact N-O 3.11Å; A88-S133 VanDerWaalsContact O-CA 3.3Å; A88-S133 WeakPolarHBondContact O-CA 3.34Å; A88-M134 PolarHBondContact O-N 3.47Å; A88-M217 HydrophobicContact CB-CB 3.83Å; A88-M217 HydrophobicContact CB-CG 4.4Å; A88-M217 HydrophobicContact CB-SD 4.29Å
89	N	98.3	Very high	97.9	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.043	C	C	.	.			trans	55.6	43.9	167.8	-175.9	-123.6	0	0	0	111.2	H91 G92 E94 R98 S133 N135 M217	N89-H91 VanDerWaalsContact C-N 3.28Å; N89-H91 CarbonylContact C-O 3.52Å; N89-H91 PolarHBondContact ND2-O 2.78Å; N89-G92 WeakPolarHBondContact ND2-CA 3.35Å; N89-G92 PolarHBondContact ND2-O 3.17Å; N89-E94 PolarHBondContact ND2-O 3.43Å; N89-E94 VanDerWaalsContact ND2-O 3.11Å; N89-R98 HydrophobicContact CB-CB 3.81Å; N89-R98 PolarHBondContact OD1-NH1 3.1Å; N89-S133 PolarHBondContact OD1-OG 2.82Å; N89-N135 VanDerWaalsContact O-CB 3.28Å; N89-N135 WeakPolarHBondContact O-CB 3.21Å; N89-N135 PolarHBondContact O-N 3.29Å; N89-M217 PolarHBondContact N-O 2.87Å
90	M	98.5	Very high	98.1	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.01	3%	0.027	C	C	.	.	S	Bend	trans	-72.5	-28.5	165.3	70.4	178.7	-59.3	0	0	111.1	A88 M134 N135 L161 N162 F165 H218 M292	A88-M90 PolarHBondContact O-N 2.86Å; M90-M134 HydrophobicContact CB-CB 4.02Å; M90-M134 HydrophobicContact CB-CG 4.25Å; M90-M134 HydrophobicContact CB-SD 3.62Å; M90-M134 HydrophobicContact CE-SD 4.3Å; M90-N135 WeakPolarHBondContact O-CB 3.17Å; M90-N135 PolarHBondContact O-ND2 2.92Å; M90-N135 VanDerWaalsContact O-ND2 3.16Å; M90-L161 VanDerWaalsContact CE-C 3.45Å; M90-L161 HydrophobicContact CE-CB 4.01Å; M90-N162 VanDerWaalsContact CE-CA 3.4Å; M90-N162 HydrophobicContact CE-CB 3.37Å; M90-N162 VanDerWaalsContact CE-N 3.3Å; M90-N162 HydrophobicContact SD-CB 3.98Å; M90-F165 HydrophobicContact CE-CE2 4.31Å; M90-H218 VanDerWaalsContact CG-CE1 3.41Å; M90-H218 WeakPolarHBondContact CG-CE1 3.43Å; M90-H218 PolarHBondContact SD-CE1 3.2Å; M90-H218 PolarHBondContact SD-NE2 3.17Å; M90-M292 HydrophobicContact CE-CB 4.28Å; M90-M292 HydrophobicContact CE-CE 4.41Å; M90-M292 HydrophobicContact CE-SD 4.5Å; M90-M292 HydrophobicContact SD-CE 3.77Å
91	H	98.2	Very high	98.2	Very high	2 Å²	2	2.8 Å²	2.8	1%	0.009	2%	0.015	C	C	.	.	S	Bend	trans	-92.6	124.3	156.1	-58.2	148.4	0	0	0	109.6	N89 D93 E94 R153 D160 H218	N89-H91 VanDerWaalsContact C-N 3.28Å; N89-H91 CarbonylContact C-O 3.52Å; N89-H91 PolarHBondContact ND2-O 2.78Å; H91-D93 VanDerWaalsContact C-N 3.29Å; H91-D93 PolarHBondContact O-N 3.42Å; H91-E94 HydrophobicContact CB-CB 4.17Å; H91-E94 VanDerWaalsContact CB-CD 3.45Å; H91-E94 HydrophobicContact CB-CG 3.95Å; H91-E94 IonicContact CE1-OE1 3.65Å; H91-E94 IonicContact CG-OE1 3.09Å; H91-E94 IonicContact CG-OE2 3.5Å; H91-E94 IonicContact ND1-OE1 3.32Å; H91-E94 PolarHBondContact ND1-OE1 3.31Å; H91-E94 IonicContact ND1-OE2 2.75Å; H91-E94 PolarHBondContact ND1-OE2 3.19Å; H91-E94 PolarHBondContact O-N 3.41Å; H91-R153 WeakPolarHBondContact CA-O 3.26Å; H91-R153 HydrophobicContact CB-CG 3.97Å; H91-R153 PolarHBondContact CE1-NH2 3.18Å; H91-R153 PolarHBondContact ND1-NH1 3.04Å; H91-R153 VanDerWaalsContact ND1-NH1 3.2Å; H91-R153 PolarHBondContact ND1-NH2 2.93Å; H91-D160 IonicContact CD2-OD1 3.74Å; H91-D160 IonicContact NE2-OD1 3.01Å; H91-D160 PolarHBondContact NE2-OD1 3.25Å; H91-D160 IonicContact NE2-OD2 2.65Å; H91-H218 AromaticContact CE1-CE1 3.2Å; H91-H218 PolarHBondContact CE1-CE1 3.26Å; H91-H218 AromaticContact CE1-ND1 3.31Å; H91-H218 PolarHBondContact CE1-ND1 3.17Å; H91-H218 VanDerWaalsContact CE1-ND1 3.31Å; H91-H218 AromaticContact ND1-CE1 3.4Å; H91-H218 PolarHBondContact ND1-CE1 2.92Å; H91-H218 AromaticContact ND1-ND1 3.14Å; H91-H218 PolarHBondContact ND1-ND1 3.42Å; H91-H218 VanDerWaalsContact ND1-ND1 3.14Å; H91-H218 AromaticContact NE2-CE1 3.84Å
92	G	97.7	Very high	98.2	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-29.1	-173.2	0	0	0	0	0	114	N89 E94 N135 W139 G152 R153	N89-G92 WeakPolarHBondContact ND2-CA 3.35Å; N89-G92 PolarHBondContact ND2-O 3.17Å; G92-E94 VanDerWaalsContact C-N 3.31Å; G92-N135 PolarHBondContact N-ND2 3.32Å; G92-W139 WeakPolarHBondContact O-CA 3.26Å; G92-G152 CarbonylContact C-O 3.44Å; G92-G152 WeakPolarHBondContact CA-O 3.48Å; G92-G152 PolarHBondContact N-O 2.79Å; G92-R153 PolarHBondContact N-O 3.4Å; G92-R153 VanDerWaalsContact N-O 3.14Å
93	D	96.7	Very high	98.2	Very high	7 Å²	7	2.6 Å²	2.6	4%	0.037	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.6	178	68	-31.9	0	0	0	114	H91 A142 E150 G152 R153 K313	H91-D93 VanDerWaalsContact C-N 3.29Å; H91-D93 PolarHBondContact O-N 3.42Å; D93-A142 HydrophobicContact CB-CB 3.97Å; D93-E150 WeakPolarHBondContact OD2-CA 3.46Å; D93-E150 PolarHBondContact OD2-N 3.46Å; D93-G152 PolarHBondContact N-O 2.85Å; D93-R153 VanDerWaalsContact OD1-CA 3.22Å; D93-R153 WeakPolarHBondContact OD1-CA 3.16Å; D93-R153 WeakPolarHBondContact OD1-CB 3.5Å; D93-K313 CarbonylContact O-C 3.38Å; D93-K313 WeakPolarHBondContact O-CB 3.46Å; D93-K313 WeakPolarHBondContact OD2-CD 3.24Å; D93-K313 IonicContact OD2-NZ 3.41Å
94	E	97	Very high	98.2	Very high	6 Å²	6	2.3 Å²	2.3	3%	0.028	1%	0.012	C	C	.	.			trans	-100.6	85	179.7	-66.5	167.5	-160	0	0	109.8	N89 H91 G92 R153 H218 G219 K313	N89-E94 PolarHBondContact ND2-O 3.43Å; N89-E94 VanDerWaalsContact ND2-O 3.11Å; H91-E94 HydrophobicContact CB-CB 4.17Å; H91-E94 VanDerWaalsContact CB-CD 3.45Å; H91-E94 HydrophobicContact CB-CG 3.95Å; H91-E94 IonicContact CE1-OE1 3.65Å; H91-E94 IonicContact CG-OE1 3.09Å; H91-E94 IonicContact CG-OE2 3.5Å; H91-E94 IonicContact ND1-OE1 3.32Å; H91-E94 PolarHBondContact ND1-OE1 3.31Å; H91-E94 IonicContact ND1-OE2 2.75Å; H91-E94 PolarHBondContact ND1-OE2 3.19Å; H91-E94 PolarHBondContact O-N 3.41Å; G92-E94 VanDerWaalsContact C-N 3.31Å; E94-R153 IonicContact OE1-CZ 2.86Å; E94-R153 IonicContact OE1-NH1 2.78Å; E94-R153 PolarHBondContact OE1-NH1 3.03Å; E94-H218 WeakPolarHBondContact OE2-CA 3.03Å; E94-H218 VanDerWaalsContact OE2-CB 3.26Å; E94-H218 WeakPolarHBondContact OE2-CB 3.45Å; E94-H218 IonicContact OE2-CE1 3.84Å; E94-H218 IonicContact OE2-CG 3.14Å; E94-H218 IonicContact OE2-ND1 3.7Å; E94-H218 PolarHBondContact OE2-ND1 3.47Å; E94-G219 WeakPolarHBondContact CG-O 3.45Å; E94-G219 PolarHBondContact OE2-N 3.15Å; E94-G219 VanDerWaalsContact OE2-N 3.11Å; E94-K313 WeakPolarHBondContact CA-O 3.25Å; E94-K313 HydrophobicContact CG-CB 4.13Å; E94-K313 HydrophobicContact CG-CD 3.95Å; E94-K313 HydrophobicContact CG-CG 3.99Å; E94-K313 IonicContact OE1-NZ 2.75Å
95	V	96.6	Very high	98.2	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.			trans	-94.1	-16.5	-161.4	-55	0	0	0	0	115.2	H25 G97 R98 E99 K313 F314	H25-V95 WeakPolarHBondContact CD2-CG2 3.41Å; H25-V95 WeakPolarHBondContact NE2-CG2 3.22Å; V95-G97 PolarHBondContact O-N 2.8Å; V95-R98 WeakPolarHBondContact O-CB 3.48Å; V95-R98 PolarHBondContact O-N 2.93Å; V95-E99 PolarHBondContact O-N 2.8Å; V95-K313 PolarHBondContact N-O 2.79Å; V95-F314 HydrophobicContact CG1-CD1 4.21Å; V95-F314 HydrophobicContact CG1-CD2 3.4Å; V95-F314 HydrophobicContact CG1-CE1 4.09Å; V95-F314 HydrophobicContact CG1-CE2 3.27Å; V95-F314 HydrophobicContact CG1-CG 3.88Å; V95-F314 HydrophobicContact CG1-CZ 3.63Å; V95-F314 HydrophobicContact CG2-CD1 3.89Å; V95-F314 HydrophobicContact CG2-CD2 4.43Å; V95-F314 HydrophobicContact CG2-CE1 4.13Å; V95-F314 HydrophobicContact CG2-CG 4.04Å
96	V	98	Very high	98.1	Very high	6 Å²	6	2.9 Å²	2.9	4%	0.036	2%	0.016	C	C	.	.	H	α-helix	trans	-59.9	-47.1	-174.2	177.7	0	0	0	0	111	R98 E99 L100 L309 P315 Y323	V96-R98 VanDerWaalsContact C-N 3.32Å; V96-R98 PolarHBondContact O-N 2.79Å; V96-E99 PolarHBondContact O-N 3.12Å; V96-E99 VanDerWaalsContact O-N 3.12Å; V96-L100 HydrophobicContact CG1-CD1 4.03Å; V96-L100 HydrophobicContact CG1-CG 4.09Å; V96-L100 WeakPolarHBondContact O-CG 3.44Å; V96-L100 PolarHBondContact O-N 2.81Å; V96-L309 HydrophobicContact CB-CB 4.4Å; V96-L309 HydrophobicContact CB-CD1 4.4Å; V96-L309 HydrophobicContact CG1-CB 4.06Å; V96-L309 HydrophobicContact CG1-CD1 4.1Å; V96-P315 HydrophobicContact CG2-CG 3.62Å; V96-Y323 HydrophobicContact CG1-CD1 3.73Å; V96-Y323 HydrophobicContact CG1-CD2 4.4Å; V96-Y323 HydrophobicContact CG1-CE1 4.34Å; V96-Y323 HydrophobicContact CG1-CG 3.77Å; V96-Y323 HydrophobicContact CG2-CD1 4.42Å; V96-Y323 HydrophobicContact CG2-CD2 4.3Å; V96-Y323 HydrophobicContact CG2-CE1 4.32Å; V96-Y323 HydrophobicContact CG2-CE2 4.19Å; V96-Y323 HydrophobicContact CG2-CG 4.41Å
97	G	98.6	Very high	98.1	Very high	2 Å²	2	4.7 Å²	4.7	2%	0.021	2%	0.022	C	C	.	.	H	α-helix	trans	-58.1	-42.5	-179.1	0	0	0	0	0	112.9	V95 E99 L100 L101	V95-G97 PolarHBondContact O-N 2.8Å; G97-E99 VanDerWaalsContact C-N 3.31Å; G97-E99 PolarHBondContact O-N 3.43Å; G97-L100 PolarHBondContact O-N 3.11Å; G97-L101 WeakPolarHBondContact O-CB 3.14Å; G97-L101 WeakPolarHBondContact O-CG 3.39Å; G97-L101 PolarHBondContact O-N 2.89Å
98	R	97.7	Very high	98.1	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-55.8	-46.4	175.6	175.7	-175.8	180	104.7	13.9	111.8	H26 S27 Q28 I31 N89 V95 V96 L101 I102 P132 S133	H26-R98 PolarHBondContact O-NE 3.25Å; H26-R98 PolarHBondContact O-NH2 3.08Å; H26-R98 VanDerWaalsContact O-NH2 3.15Å; S27-R98 PolarHBondContact O-NH2 2.89Å; Q28-R98 VanDerWaalsContact CA-NH2 3.32Å; Q28-R98 VanDerWaalsContact N-NH2 3.18Å; I31-R98 HydrophobicContact CD1-CG 3.55Å; I31-R98 VanDerWaalsContact CD1-NE 3.29Å; N89-R98 HydrophobicContact CB-CB 3.81Å; N89-R98 PolarHBondContact OD1-NH1 3.1Å; V95-R98 WeakPolarHBondContact O-CB 3.48Å; V95-R98 PolarHBondContact O-N 2.93Å; V96-R98 VanDerWaalsContact C-N 3.32Å; V96-R98 PolarHBondContact O-N 2.79Å; R98-L101 PolarHBondContact O-N 2.56Å; R98-I102 PolarHBondContact O-N 3.01Å; R98-P132 WeakPolarHBondContact CA-O 3.45Å; R98-P132 VanDerWaalsContact CB-O 3.29Å; R98-P132 WeakPolarHBondContact CB-O 3.39Å; R98-S133 PolarHBondContact NH1-OG 3.35Å
99	E	98.4	Very high	98	Very high	2 Å²	2	4.5 Å²	4.5	1%	0.009	2%	0.022	C	C	.	.	H	α-helix	trans	-70.6	-34.1	179.9	-67.4	-60.1	137.5	0	0	113.5	H25 H26 V95 V96 G97 I102 R103 L320	H25-E99 WeakPolarHBondContact CA-OE1 3.31Å; H26-E99 IonicContact CE1-OE2 2.63Å; H26-E99 IonicContact CG-OE1 3.29Å; H26-E99 IonicContact CG-OE2 2.89Å; H26-E99 PolarHBondContact N-OE1 3.19Å; H26-E99 IonicContact ND1-OE1 3.68Å; H26-E99 PolarHBondContact ND1-OE1 3.34Å; H26-E99 IonicContact ND1-OE2 2.71Å; H26-E99 PolarHBondContact ND1-OE2 3.04Å; V95-E99 PolarHBondContact O-N 2.8Å; V96-E99 PolarHBondContact O-N 3.12Å; V96-E99 VanDerWaalsContact O-N 3.12Å; G97-E99 VanDerWaalsContact C-N 3.31Å; G97-E99 PolarHBondContact O-N 3.43Å; E99-I102 VanDerWaalsContact O-CG1 3.26Å; E99-I102 WeakPolarHBondContact O-CG1 3.25Å; E99-R103 WeakPolarHBondContact O-CD 3.14Å; E99-R103 WeakPolarHBondContact O-CG 3.38Å; E99-R103 PolarHBondContact O-NH1 3.02Å; E99-R103 IonicContact OE2-CZ 2.8Å; E99-R103 IonicContact OE2-NH1 2.9Å; E99-R103 PolarHBondContact OE2-NH1 3.28Å; E99-R103 IonicContact OE2-NH2 3.82Å; E99-L320 HydrophobicContact CB-CD1 4.31Å; E99-L320 HydrophobicContact CB-CD2 3.88Å; E99-L320 HydrophobicContact CG-CD1 3.91Å; E99-L320 HydrophobicContact CG-CD2 3.92Å
100	L	98.6	Very high	98	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.021	3%	0.031	C	C	.	.	H	α-helix	trans	-68.4	-42.1	175	-67.1	-176.9	0	0	0	111.4	V96 G97 R103 L104 L309 W324 N327 L331	V96-L100 HydrophobicContact CG1-CD1 4.03Å; V96-L100 HydrophobicContact CG1-CG 4.09Å; V96-L100 WeakPolarHBondContact O-CG 3.44Å; V96-L100 PolarHBondContact O-N 2.81Å; G97-L100 PolarHBondContact O-N 3.11Å; L100-R103 PolarHBondContact O-N 3.33Å; L100-L104 WeakPolarHBondContact O-CB 2.97Å; L100-L104 PolarHBondContact O-N 3.14Å; L100-L309 HydrophobicContact CD1-CD1 3.76Å; L100-L309 HydrophobicContact CD1-CD2 4.45Å; L100-W324 HydrophobicContact CD2-CB 4.18Å; L100-W324 HydrophobicContact CD2-CE3 3.97Å; L100-N327 HydrophobicContact CD1-CB 3.7Å; L100-N327 HydrophobicContact CD2-CB 4.35Å; L100-L331 HydrophobicContact CB-CD1 4.35Å
101	L	98.7	Very high	97.9	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-69.5	-39.6	-175.1	-73.9	-168.5	0	0	0	113.5	Y86 A88 G97 R98 R103 L104 A105 I130 P132 M217	Y86-L101 HydrophobicContact CD2-CD2 3.86Å; Y86-L101 HydrophobicContact CG-CD2 3.87Å; A88-L101 HydrophobicContact CB-CD1 3.56Å; A88-L101 HydrophobicContact CB-CG 4.23Å; G97-L101 WeakPolarHBondContact O-CB 3.14Å; G97-L101 WeakPolarHBondContact O-CG 3.39Å; G97-L101 PolarHBondContact O-N 2.89Å; R98-L101 PolarHBondContact O-N 2.56Å; L101-R103 VanDerWaalsContact C-N 3.26Å; L101-R103 PolarHBondContact O-N 2.72Å; L101-L104 HydrophobicContact CD2-CD2 4.22Å; L101-L104 PolarHBondContact O-N 3.26Å; L101-A105 PolarHBondContact O-N 2.95Å; L101-I130 HydrophobicContact CB-CG2 3.63Å; L101-I130 HydrophobicContact CD1-CG2 4.03Å; L101-I130 HydrophobicContact CD2-CG2 4.11Å; L101-I130 HydrophobicContact CG-CG2 4.12Å; L101-P132 HydrophobicContact CB-CB 4.32Å; L101-M217 HydrophobicContact CD1-SD 4.3Å; L101-M217 HydrophobicContact CD2-CE 3.55Å; L101-M217 HydrophobicContact CD2-SD 4.01Å; L101-M217 HydrophobicContact CG-CE 4.16Å; L101-M217 HydrophobicContact CG-SD 3.95Å
102	I	98	Very high	97.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-64.2	-32.9	172.5	61.2	178.1	0	0	0	112.2	H26 I31 I34 R98 E99 V106 P132	H26-I102 HydrophobicContact CB-CD1 3.91Å; H26-I102 WeakPolarHBondContact ND1-CD1 3.08Å; I31-I102 HydrophobicContact CB-CG2 4.46Å; I31-I102 HydrophobicContact CD1-CG2 3.82Å; I31-I102 HydrophobicContact CG1-CG2 3.92Å; I31-I102 HydrophobicContact CG2-CG2 4.05Å; I34-I102 HydrophobicContact CD1-CD1 4.27Å; R98-I102 PolarHBondContact O-N 3.01Å; E99-I102 VanDerWaalsContact O-CG1 3.26Å; E99-I102 WeakPolarHBondContact O-CG1 3.25Å; I102-V106 PolarHBondContact O-N 3.08Å; I102-P132 HydrophobicContact CG2-CB 3.81Å; I102-P132 HydrophobicContact CG2-CG 3.92Å
103	R	97.9	Very high	97.9	Very high	13 Å²	13	13.4 Å²	13.4	5%	0.049	7%	0.065	C	C	.	.	H	α-helix	trans	-75.9	-36.1	177.1	-75.6	171	175.3	76.8	-4.1	112.2	I20 S21 E99 L100 L101 A105 V106 Y107 W324	I20-R103 HydrophobicContact CD1-CG 4.17Å; S21-R103 PolarHBondContact O-NH2 3.15Å; E99-R103 WeakPolarHBondContact O-CD 3.14Å; E99-R103 WeakPolarHBondContact O-CG 3.38Å; E99-R103 PolarHBondContact O-NH1 3.02Å; E99-R103 IonicContact OE2-CZ 2.8Å; E99-R103 IonicContact OE2-NH1 2.9Å; E99-R103 PolarHBondContact OE2-NH1 3.28Å; E99-R103 IonicContact OE2-NH2 3.82Å; L100-R103 PolarHBondContact O-N 3.33Å; L101-R103 VanDerWaalsContact C-N 3.26Å; L101-R103 PolarHBondContact O-N 2.72Å; R103-A105 VanDerWaalsContact C-N 3.31Å; R103-V106 PolarHBondContact O-N 3.18Å; R103-Y107 VanDerWaalsContact O-CB 3.24Å; R103-Y107 WeakPolarHBondContact O-CB 3.37Å; R103-Y107 PolarHBondContact O-N 3.19Å; R103-W324 HydrophobicContact CB-CD2 4.25Å; R103-W324 HydrophobicContact CB-CE3 3.78Å; R103-W324 HydrophobicContact CB-CH2 4.17Å; R103-W324 HydrophobicContact CB-CZ3 3.74Å
104	L	98.6	Very high	97.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.7	-44	171.2	-178.9	62	0	0	0	110.7	Y86 L100 L101 V106 Y107 L108 I130 W324 L331 L332 I335	Y86-L104 HydrophobicContact CD2-CD2 3.83Å; Y86-L104 HydrophobicContact CE2-CD2 3.94Å; L100-L104 WeakPolarHBondContact O-CB 2.97Å; L100-L104 PolarHBondContact O-N 3.14Å; L101-L104 HydrophobicContact CD2-CD2 4.22Å; L101-L104 PolarHBondContact O-N 3.26Å; L104-V106 PolarHBondContact O-N 3.32Å; L104-Y107 PolarHBondContact O-N 3.03Å; L104-L108 HydrophobicContact CD1-CG 4.24Å; L104-L108 HydrophobicContact CG-CD1 4.28Å; L104-L108 HydrophobicContact CG-CG 4.41Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 2.98Å; L104-L108 PolarHBondContact O-N 3.19Å; L104-I130 HydrophobicContact CD2-CD1 3.96Å; L104-I130 HydrophobicContact CG-CD1 4.09Å; L104-W324 HydrophobicContact CB-CH2 4.41Å; L104-W324 HydrophobicContact CB-CZ3 4.27Å; L104-L331 HydrophobicContact CD2-CB 4.44Å; L104-L332 HydrophobicContact CD1-CD2 4.03Å; L104-I335 HydrophobicContact CD2-CD1 4.23Å
105	A	98.6	Very high	97.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-59.4	-46.7	176.1	0	0	0	0	0	112.6	I68 F70 L101 R103 C109 I130	I68-A105 HydrophobicContact CD1-CB 4.46Å; I68-A105 HydrophobicContact CG2-CB 4.01Å; F70-A105 HydrophobicContact CE2-CB 3.85Å; F70-A105 HydrophobicContact CZ-CB 3.99Å; F70-A105 VanDerWaalsContact CZ-O 3.23Å; F70-A105 WeakPolarHBondContact CZ-O 3.31Å; L101-A105 PolarHBondContact O-N 2.95Å; R103-A105 VanDerWaalsContact C-N 3.31Å; A105-C109 PolarHBondContact O-N 3.05Å; A105-I130 HydrophobicContact CB-CD1 4.47Å
106	V	98	Very high	98	Very high	13 Å²	13	25.5 Å²	25.5	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-62.2	-44.5	174.6	169.4	0	0	0	0	111.5	I18 I20 I34 V38 I102 R103 L104 L108 C109 D110	I18-V106 HydrophobicContact CB-CG1 4.16Å; I18-V106 HydrophobicContact CB-CG2 4.09Å; I18-V106 HydrophobicContact CD1-CG2 4.46Å; I18-V106 HydrophobicContact CG2-CG2 3.69Å; I20-V106 HydrophobicContact CD1-CB 4.1Å; I20-V106 HydrophobicContact CD1-CG2 3.42Å; I20-V106 VanDerWaalsContact CD1-CG2 3.42Å; I20-V106 HydrophobicContact CG1-CG2 4.06Å; I34-V106 HydrophobicContact CG2-CG2 4.16Å; V38-V106 HydrophobicContact CG2-CG2 3.63Å; I102-V106 PolarHBondContact O-N 3.08Å; R103-V106 PolarHBondContact O-N 3.18Å; L104-V106 PolarHBondContact O-N 3.32Å; V106-L108 PolarHBondContact O-N 3.36Å; V106-C109 PolarHBondContact O-N 2.64Å; V106-D110 WeakPolarHBondContact CG1-OD2 3.4Å; V106-D110 PolarHBondContact O-N 2.88Å
107	Y	98	Very high	97.9	Very high	37 Å²	37	27.9 Å²	27.9	15%	0.145	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-45.9	179.6	179.7	-98.4	0	0	0	112.4	R103 L104 C109 D110 E111 I119 W324 K328 L332	R103-Y107 VanDerWaalsContact O-CB 3.24Å; R103-Y107 WeakPolarHBondContact O-CB 3.37Å; R103-Y107 PolarHBondContact O-N 3.19Å; L104-Y107 PolarHBondContact O-N 3.03Å; Y107-C109 VanDerWaalsContact C-N 3.32Å; Y107-C109 PolarHBondContact O-N 2.84Å; Y107-D110 PolarHBondContact O-N 3.01Å; Y107-E111 HydrophobicContact CD1-CG 4.19Å; Y107-E111 HydrophobicContact CD2-CG 3.87Å; Y107-E111 HydrophobicContact CE1-CG 3.8Å; Y107-E111 HydrophobicContact CE2-CG 3.43Å; Y107-E111 VanDerWaalsContact CE2-CG 3.43Å; Y107-E111 VanDerWaalsContact CE2-OE1 3.24Å; Y107-E111 WeakPolarHBondContact CE2-OE1 3.48Å; Y107-E111 HydrophobicContact CG-CG 4.22Å; Y107-E111 VanDerWaalsContact O-CB 3.31Å; Y107-E111 WeakPolarHBondContact O-CB 3.2Å; Y107-E111 VanDerWaalsContact O-CG 3.25Å; Y107-E111 WeakPolarHBondContact O-CG 3.44Å; Y107-E111 PolarHBondContact O-N 2.95Å; Y107-I119 HydrophobicContact CE1-CD1 4.17Å; Y107-W324 HydrophobicContact CD2-CZ2 4.13Å; Y107-W324 HydrophobicContact CG-CH2 4.24Å; Y107-W324 HydrophobicContact CG-CZ2 4.04Å; Y107-K328 HydrophobicContact CD2-CD 4.34Å; Y107-K328 HydrophobicContact CE2-CD 4.04Å; Y107-L332 HydrophobicContact CD1-CD2 4.49Å; Y107-L332 HydrophobicContact CE1-CD1 3.66Å; Y107-L332 HydrophobicContact CE1-CD2 4.23Å; Y107-L332 HydrophobicContact CE1-CG 4.48Å
108	L	98.6	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.7	-44.1	177.3	-70.8	175.3	0	0	0	111.5	F70 L104 V106 F112 I119 L122 I128 I130 L332	F70-L108 HydrophobicContact CB-CD1 4.47Å; F70-L108 HydrophobicContact CD1-CB 4.15Å; F70-L108 HydrophobicContact CD1-CD1 4.48Å; F70-L108 HydrophobicContact CD2-CD1 3.71Å; F70-L108 HydrophobicContact CE1-CB 3.95Å; F70-L108 HydrophobicContact CE2-CB 4.47Å; F70-L108 HydrophobicContact CE2-CD1 3.98Å; F70-L108 HydrophobicContact CG-CB 4.47Å; F70-L108 HydrophobicContact CG-CD1 3.97Å; F70-L108 HydrophobicContact CZ-CB 4.11Å; F70-L108 HydrophobicContact CZ-CD1 4.44Å; L104-L108 HydrophobicContact CD1-CG 4.24Å; L104-L108 HydrophobicContact CG-CD1 4.28Å; L104-L108 HydrophobicContact CG-CG 4.41Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 2.98Å; L104-L108 PolarHBondContact O-N 3.19Å; V106-L108 PolarHBondContact O-N 3.36Å; L108-F112 VanDerWaalsContact O-CB 3.24Å; L108-F112 WeakPolarHBondContact O-CB 3.36Å; L108-F112 PolarHBondContact O-N 3.04Å; L108-F112 VanDerWaalsContact O-N 3.09Å; L108-I119 HydrophobicContact CD2-CD1 3.96Å; L108-I119 HydrophobicContact CD2-CG2 4.34Å; L108-I119 WeakPolarHBondContact O-CG2 3.27Å; L108-L122 HydrophobicContact CD2-CD2 4.45Å; L108-I128 HydrophobicContact CD1-CD1 4.35Å; L108-I130 HydrophobicContact CD1-CD1 4.2Å; L108-L332 HydrophobicContact CD2-CD2 4.29Å
109	C	98.3	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-49.9	177.5	174.6	0	0	0	0	112.5	V38 C42 F70 A105 V106 Y107 E111 F112 I113	V38-C109 HydrophobicContact CG1-CB 3.88Å; C42-C109 HydrophobicContact CB-CB 3.85Å; C42-C109 WeakPolarHBondContact CB-SG 3.43Å; C42-C109 WeakPolarHBondContact SG-CA 3.27Å; C42-C109 WeakPolarHBondContact SG-CB 3.47Å; C42-C109 PolarHBondContact SG-O 3.24Å; C42-C109 VanDerWaalsContact SG-O 3.41Å; C42-C109 CovalentContact SG-SG 2.04Å; C42-C109 PolarHBondContact SG-SG 3.04Å; F70-C109 HydrophobicContact CE1-CB 4.35Å; A105-C109 PolarHBondContact O-N 3.05Å; V106-C109 PolarHBondContact O-N 2.64Å; Y107-C109 VanDerWaalsContact C-N 3.32Å; Y107-C109 PolarHBondContact O-N 2.84Å; C109-E111 PolarHBondContact O-N 2.98Å; C109-F112 PolarHBondContact O-N 3.17Å; C109-I113 WeakPolarHBondContact O-CG1 3.39Å; C109-I113 PolarHBondContact O-N 2.89Å
110	D	97.3	Very high	97.9	Very high	36 Å²	36	31.1 Å²	31.1	19%	0.193	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-39.5	-177.1	-79.7	-23.9	0	0	0	112.6	R41 V106 Y107 I113 S114	R41-D110 IonicContact CZ-OD1 3.99Å; R41-D110 VanDerWaalsContact CZ-OD1 3.29Å; R41-D110 IonicContact NE-OD1 3.29Å; R41-D110 PolarHBondContact NE-OD1 2.8Å; R41-D110 IonicContact NH2-OD1 3.99Å; R41-D110 PolarHBondContact NH2-OD1 2.95Å; V106-D110 WeakPolarHBondContact CG1-OD2 3.4Å; V106-D110 PolarHBondContact O-N 2.88Å; Y107-D110 PolarHBondContact O-N 3.01Å; D110-I113 PolarHBondContact O-N 2.88Å; D110-S114 VanDerWaalsContact O-CB 3.32Å; D110-S114 WeakPolarHBondContact O-CB 3.45Å; D110-S114 PolarHBondContact O-N 2.9Å; D110-S114 PolarHBondContact O-OG 2.9Å
111	E	97.5	Very high	97.9	Very high	50 Å²	50	36.5 Å²	36.5	23%	0.234	19%	0.187	C	C	.	.	H	α-helix	trans	-71.4	-34	176.2	-68.8	-71.3	156.2	0	0	112.5	Y107 C109 S114 Q115 N116 I119	Y107-E111 HydrophobicContact CD1-CG 4.19Å; Y107-E111 HydrophobicContact CD2-CG 3.87Å; Y107-E111 HydrophobicContact CE1-CG 3.8Å; Y107-E111 HydrophobicContact CE2-CG 3.43Å; Y107-E111 VanDerWaalsContact CE2-CG 3.43Å; Y107-E111 VanDerWaalsContact CE2-OE1 3.24Å; Y107-E111 WeakPolarHBondContact CE2-OE1 3.48Å; Y107-E111 HydrophobicContact CG-CG 4.22Å; Y107-E111 VanDerWaalsContact O-CB 3.31Å; Y107-E111 WeakPolarHBondContact O-CB 3.2Å; Y107-E111 VanDerWaalsContact O-CG 3.25Å; Y107-E111 WeakPolarHBondContact O-CG 3.44Å; Y107-E111 PolarHBondContact O-N 2.95Å; C109-E111 PolarHBondContact O-N 2.98Å; E111-S114 CarbonylContact O-C 3.53Å; E111-S114 PolarHBondContact O-N 3.46Å; E111-Q115 PolarHBondContact O-N 3.17Å; E111-N116 HydrophobicContact CB-CB 3.9Å; E111-N116 VanDerWaalsContact O-CB 3.23Å; E111-N116 WeakPolarHBondContact O-CB 3.16Å; E111-N116 PolarHBondContact O-N 3.29Å; E111-N116 WeakPolarHBondContact OE2-CB 3.43Å; E111-N116 PolarHBondContact OE2-ND2 3.02Å; E111-I119 HydrophobicContact CB-CB 4.12Å; E111-I119 HydrophobicContact CB-CG1 3.65Å; E111-I119 HydrophobicContact CB-CG2 4.2Å; E111-I119 HydrophobicContact CG-CG1 4.31Å
112	F	97.8	Very high	97.9	Very high	35 Å²	35	36.5 Å²	36.5	15%	0.154	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-47.3	172.8	-178.6	-95.5	0	0	0	111.2	I45 L108 C109 S114 Q115 I119 H120	I45-F112 HydrophobicContact CD1-CB 3.6Å; I45-F112 HydrophobicContact CD1-CD1 3.59Å; I45-F112 HydrophobicContact CD1-CD2 3.84Å; I45-F112 HydrophobicContact CD1-CE1 4.19Å; I45-F112 HydrophobicContact CD1-CE2 4.41Å; I45-F112 HydrophobicContact CD1-CG 3.39Å; I45-F112 HydrophobicContact CG1-CD1 4.09Å; I45-F112 HydrophobicContact CG1-CE1 4.28Å; I45-F112 HydrophobicContact CG1-CG 4.33Å; I45-F112 HydrophobicContact CG2-CD1 4.22Å; I45-F112 HydrophobicContact CG2-CD2 4.19Å; I45-F112 HydrophobicContact CG2-CE1 3.67Å; I45-F112 HydrophobicContact CG2-CE2 3.63Å; I45-F112 HydrophobicContact CG2-CG 4.46Å; I45-F112 HydrophobicContact CG2-CZ 3.35Å; L108-F112 VanDerWaalsContact O-CB 3.24Å; L108-F112 WeakPolarHBondContact O-CB 3.36Å; L108-F112 PolarHBondContact O-N 3.04Å; L108-F112 VanDerWaalsContact O-N 3.09Å; C109-F112 PolarHBondContact O-N 3.17Å; F112-S114 VanDerWaalsContact C-N 3.26Å; F112-S114 PolarHBondContact O-N 2.85Å; F112-Q115 PolarHBondContact O-N 2.79Å; F112-Q115 PolarHBondContact O-NE2 3.03Å; F112-I119 HydrophobicContact CB-CG2 4.17Å; F112-H120 AromaticContact CD2-CD2 3.69Å; F112-H120 AromaticContact CD2-CE1 3.59Å; F112-H120 AromaticContact CD2-CG 3.91Å; F112-H120 AromaticContact CD2-ND1 3.86Å; F112-H120 AromaticContact CD2-NE2 3.47Å; F112-H120 WeakPolarHBondContact CD2-NE2 3.06Å; F112-H120 AromaticContact CE2-CE1 3.21Å; F112-H120 WeakPolarHBondContact CE2-CE1 3.17Å; F112-H120 AromaticContact CE2-CG 3.89Å; F112-H120 AromaticContact CE2-ND1 3.39Å; F112-H120 WeakPolarHBondContact CE2-ND1 3.48Å; F112-H120 AromaticContact CE2-NE2 3.63Å; F112-H120 AromaticContact CG-NE2 3.86Å; F112-H120 AromaticContact CZ-CE1 3.56Å; F112-H120 PolarHBondContact O-NE2 3.2Å
113	I	96.7	Very high	97.9	Very high	69 Å²	69	36.5 Å²	36.5	35%	0.354	19%	0.187	S	C	.	.	H	α-helix	trans	-59	-41.6	174.7	-71.7	172.1	0	0	0	110.6	R41 C109 D110 Q115	R41-I113 HydrophobicContact CG-CD1 3.66Å; C109-I113 WeakPolarHBondContact O-CG1 3.39Å; C109-I113 PolarHBondContact O-N 2.89Å; D110-I113 PolarHBondContact O-N 2.88Å; I113-Q115 PolarHBondContact O-N 2.89Å; I113-Q115 PolarHBondContact O-NE2 3.47Å
114	S	97	Very high	97.9	Very high	86 Å²	86	38.7 Å²	38.7	60%	0.601	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	6.7	178	-54.8	0	0	0	0	114	D110 E111 F112 N116	D110-S114 VanDerWaalsContact O-CB 3.32Å; D110-S114 WeakPolarHBondContact O-CB 3.45Å; D110-S114 PolarHBondContact O-N 2.9Å; D110-S114 PolarHBondContact O-OG 2.9Å; E111-S114 CarbonylContact O-C 3.53Å; E111-S114 PolarHBondContact O-N 3.46Å; F112-S114 VanDerWaalsContact C-N 3.26Å; F112-S114 PolarHBondContact O-N 2.85Å; S114-N116 VanDerWaalsContact C-N 3.26Å; S114-N116 PolarHBondContact O-N 2.89Å
115	Q	97.4	Very high	97.9	Very high	135 Å²	135	44 Å²	44	63%	0.631	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	32.8	178.6	-55.7	-61.2	-53.7	0	0	113.5	E111 F112 I113 A117	E111-Q115 PolarHBondContact O-N 3.17Å; F112-Q115 PolarHBondContact O-N 2.79Å; F112-Q115 PolarHBondContact O-NE2 3.03Å; I113-Q115 PolarHBondContact O-N 2.89Å; I113-Q115 PolarHBondContact O-NE2 3.47Å; Q115-A117 PolarHBondContact O-N 3.12Å; Q115-A117 VanDerWaalsContact O-N 3.09Å
116	N	97.9	Very high	97.9	Very high	47 Å²	47	44 Å²	44	25%	0.251	22%	0.219	S	C	.	.			trans	-64	113.2	174.5	-176.8	-53.8	0	0	0	110.2	E111 S114 F118 I119 H120	E111-N116 HydrophobicContact CB-CB 3.9Å; E111-N116 VanDerWaalsContact O-CB 3.23Å; E111-N116 WeakPolarHBondContact O-CB 3.16Å; E111-N116 PolarHBondContact O-N 3.29Å; E111-N116 WeakPolarHBondContact OE2-CB 3.43Å; E111-N116 PolarHBondContact OE2-ND2 3.02Å; S114-N116 VanDerWaalsContact C-N 3.26Å; S114-N116 PolarHBondContact O-N 2.89Å; N116-F118 VanDerWaalsContact C-N 3.25Å; N116-F118 PolarHBondContact O-N 3.26Å; N116-F118 WeakPolarHBondContact OD1-CB 3.32Å; N116-F118 PolarHBondContact OD1-N 2.85Å; N116-I119 HydrophobicContact CB-CB 4.17Å; N116-I119 HydrophobicContact CB-CG1 4.17Å; N116-I119 PolarHBondContact O-N 3.29Å; N116-I119 VanDerWaalsContact O-N 3.16Å; N116-I119 PolarHBondContact OD1-N 3.42Å; N116-I119 VanDerWaalsContact OD1-N 3.17Å; N116-H120 PolarHBondContact O-CD2 2.94Å; N116-H120 PolarHBondContact O-N 2.97Å
117	A	97.4	Very high	97.9	Very high	55 Å²	55	44 Å²	44	46%	0.455	22%	0.218	S	C	.	.	H	α-helix	trans	-61.6	-30.5	-173.2	0	0	0	0	0	113.9	Q115 R121	Q115-A117 PolarHBondContact O-N 3.12Å; Q115-A117 VanDerWaalsContact O-N 3.09Å; A117-R121 WeakPolarHBondContact O-CG 3.43Å; A117-R121 VanDerWaalsContact O-CZ 3.31Å; A117-R121 PolarHBondContact O-N 2.88Å; A117-R121 PolarHBondContact O-NH1 3.13Å
118	F	97.6	Very high	98	Very high	35 Å²	35	42.2 Å²	42.2	15%	0.154	21%	0.211	C	C	.	.	H	α-helix	trans	-71.2	-47.7	176.2	168.8	-99.7	0	0	0	110.8	N116 H120 R121 L122 L332 L336 I421 F425	N116-F118 VanDerWaalsContact C-N 3.25Å; N116-F118 PolarHBondContact O-N 3.26Å; N116-F118 WeakPolarHBondContact OD1-CB 3.32Å; N116-F118 PolarHBondContact OD1-N 2.85Å; F118-H120 PolarHBondContact O-N 3.14Å; F118-R121 PolarHBondContact O-N 3.13Å; F118-R121 VanDerWaalsContact O-N 3.17Å; F118-L122 HydrophobicContact CE1-CD2 4.12Å; F118-L122 HydrophobicContact CZ-CD1 4.49Å; F118-L122 HydrophobicContact CZ-CD2 4.26Å; F118-L122 WeakPolarHBondContact O-CB 3.48Å; F118-L122 PolarHBondContact O-N 2.86Å; F118-L332 HydrophobicContact CE1-CB 4.21Å; F118-L332 HydrophobicContact CE1-CD1 4.47Å; F118-L332 HydrophobicContact CE1-CD2 4.39Å; F118-L332 HydrophobicContact CZ-CB 4.49Å; F118-L336 HydrophobicContact CE2-CD1 4.31Å; F118-L336 HydrophobicContact CE2-CD2 4.42Å; F118-I421 HydrophobicContact CE1-CD1 4.44Å; F118-I421 HydrophobicContact CE2-CG1 4.36Å; F118-I421 HydrophobicContact CZ-CD1 4.4Å; F118-I421 HydrophobicContact CZ-CG1 4.17Å; F118-F425 HydrophobicContact CD2-CD2 4.47Å; F118-F425 HydrophobicContact CE2-CD2 4.3Å
119	I	98.3	Very high	98	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-40	179.6	-62.3	-57	0	0	0	111.5	Y107 L108 E111 F112 N116 R121 L122 V123 L332	Y107-I119 HydrophobicContact CE1-CD1 4.17Å; L108-I119 HydrophobicContact CD2-CD1 3.96Å; L108-I119 HydrophobicContact CD2-CG2 4.34Å; L108-I119 WeakPolarHBondContact O-CG2 3.27Å; E111-I119 HydrophobicContact CB-CB 4.12Å; E111-I119 HydrophobicContact CB-CG1 3.65Å; E111-I119 HydrophobicContact CB-CG2 4.2Å; E111-I119 HydrophobicContact CG-CG1 4.31Å; F112-I119 HydrophobicContact CB-CG2 4.17Å; N116-I119 HydrophobicContact CB-CB 4.17Å; N116-I119 HydrophobicContact CB-CG1 4.17Å; N116-I119 PolarHBondContact O-N 3.29Å; N116-I119 VanDerWaalsContact O-N 3.16Å; N116-I119 PolarHBondContact OD1-N 3.42Å; N116-I119 VanDerWaalsContact OD1-N 3.17Å; I119-R121 VanDerWaalsContact C-N 3.34Å; I119-R121 PolarHBondContact O-N 2.97Å; I119-L122 HydrophobicContact CD1-CD2 4.42Å; I119-L122 PolarHBondContact O-N 3.11Å; I119-V123 HydrophobicContact CG2-CG2 4.19Å; I119-V123 WeakPolarHBondContact O-CB 3.35Å; I119-V123 WeakPolarHBondContact O-CG2 3.38Å; I119-V123 PolarHBondContact O-N 3.03Å; I119-L332 HydrophobicContact CD1-CD2 4.05Å
120	H	98	Very high	98	Very high	38 Å²	38	42.2 Å²	42.2	18%	0.176	21%	0.211	C	C	.	.	H	α-helix	trans	-56.2	-46.3	171.5	-90.6	-99.4	0	0	0	112.3	F112 N116 F118 N124	F112-H120 AromaticContact CD2-CD2 3.69Å; F112-H120 AromaticContact CD2-CE1 3.59Å; F112-H120 AromaticContact CD2-CG 3.91Å; F112-H120 AromaticContact CD2-ND1 3.86Å; F112-H120 AromaticContact CD2-NE2 3.47Å; F112-H120 WeakPolarHBondContact CD2-NE2 3.06Å; F112-H120 AromaticContact CE2-CE1 3.21Å; F112-H120 WeakPolarHBondContact CE2-CE1 3.17Å; F112-H120 AromaticContact CE2-CG 3.89Å; F112-H120 AromaticContact CE2-ND1 3.39Å; F112-H120 WeakPolarHBondContact CE2-ND1 3.48Å; F112-H120 AromaticContact CE2-NE2 3.63Å; F112-H120 AromaticContact CG-NE2 3.86Å; F112-H120 AromaticContact CZ-CE1 3.56Å; F112-H120 PolarHBondContact O-NE2 3.2Å; N116-H120 PolarHBondContact O-CD2 2.94Å; N116-H120 PolarHBondContact O-N 2.97Å; F118-H120 PolarHBondContact O-N 3.14Å; H120-N124 WeakPolarHBondContact O-CB 3.34Å; H120-N124 PolarHBondContact O-N 3.03Å; H120-N124 PolarHBondContact O-ND2 3.39Å
121	R	98	Very high	98.1	Very high	116 Å²	116	40.5 Å²	40.5	44%	0.438	20%	0.202	S	C	.	.	H	α-helix	trans	-66.3	-43	176.8	-76.3	-171.8	-66.5	-90.3	1.8	112.2	A117 F118 I119 N124 R125 F425	A117-R121 WeakPolarHBondContact O-CG 3.43Å; A117-R121 VanDerWaalsContact O-CZ 3.31Å; A117-R121 PolarHBondContact O-N 2.88Å; A117-R121 PolarHBondContact O-NH1 3.13Å; F118-R121 PolarHBondContact O-N 3.13Å; F118-R121 VanDerWaalsContact O-N 3.17Å; I119-R121 VanDerWaalsContact C-N 3.34Å; I119-R121 PolarHBondContact O-N 2.97Å; R121-N124 PolarHBondContact O-N 3.02Å; R121-R125 VanDerWaalsContact O-CB 3.29Å; R121-R125 WeakPolarHBondContact O-CB 3.15Å; R121-R125 VanDerWaalsContact O-CG 3.3Å; R121-R125 WeakPolarHBondContact O-CG 3.26Å; R121-R125 PolarHBondContact O-N 2.68Å; R121-F425 HydrophobicContact CB-CD1 4.32Å; R121-F425 HydrophobicContact CB-CD2 4.04Å; R121-F425 HydrophobicContact CB-CE2 4.32Å; R121-F425 HydrophobicContact CB-CG 4.05Å
122	L	98.5	Very high	98.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.9	-52.7	-179.3	-170.6	68.8	0	0	0	111.1	L108 F118 I119 N124 R125 T126 I128 L332 I335 L336 F425	L108-L122 HydrophobicContact CD2-CD2 4.45Å; F118-L122 HydrophobicContact CE1-CD2 4.12Å; F118-L122 HydrophobicContact CZ-CD1 4.49Å; F118-L122 HydrophobicContact CZ-CD2 4.26Å; F118-L122 WeakPolarHBondContact O-CB 3.48Å; F118-L122 PolarHBondContact O-N 2.86Å; I119-L122 HydrophobicContact CD1-CD2 4.42Å; I119-L122 PolarHBondContact O-N 3.11Å; L122-N124 PolarHBondContact O-N 2.88Å; L122-R125 PolarHBondContact O-N 3.33Å; L122-T126 WeakPolarHBondContact O-CB 3.28Å; L122-T126 PolarHBondContact O-N 2.79Å; L122-I128 HydrophobicContact CD2-CD1 4.07Å; L122-I128 HydrophobicContact CG-CD1 4.06Å; L122-L332 HydrophobicContact CD2-CD2 4.34Å; L122-I335 HydrophobicContact CD1-CG2 3.87Å; L122-I335 HydrophobicContact CD2-CG2 4.28Å; L122-I335 HydrophobicContact CG-CG2 4.32Å; L122-L336 HydrophobicContact CD1-CD1 4.39Å; L122-F425 HydrophobicContact CB-CE2 4.29Å; L122-F425 HydrophobicContact CD1-CE2 3.93Å
123	V	98.4	Very high	98.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.3	-32.4	-179.8	173.6	0	0	0	0	112.2	I45 F70 G71 R72 I119 R125	I45-V123 HydrophobicContact CB-CG1 3.78Å; I45-V123 HydrophobicContact CD1-CG1 4.25Å; I45-V123 HydrophobicContact CG2-CG1 3.9Å; F70-V123 HydrophobicContact CB-CG2 4.47Å; G71-V123 CarbonylContact C-O 3.56Å; G71-V123 VanDerWaalsContact CA-O 3.28Å; G71-V123 WeakPolarHBondContact CA-O 3.34Å; R72-V123 PolarHBondContact N-O 3.01Å; I119-V123 HydrophobicContact CG2-CG2 4.19Å; I119-V123 WeakPolarHBondContact O-CB 3.35Å; I119-V123 WeakPolarHBondContact O-CG2 3.38Å; I119-V123 PolarHBondContact O-N 3.03Å; V123-R125 VanDerWaalsContact C-N 3.3Å; V123-R125 PolarHBondContact O-N 2.85Å
124	N	98	Very high	98.3	Very high	59 Å²	59	33.4 Å²	33.4	32%	0.316	17%	0.168	S	C	.	.	H	α-helix	trans	-75.1	-19.1	176.6	-77.6	-30.1	0	0	0	114	H120 R121 L122	H120-N124 WeakPolarHBondContact O-CB 3.34Å; H120-N124 PolarHBondContact O-N 3.03Å; H120-N124 PolarHBondContact O-ND2 3.39Å; R121-N124 PolarHBondContact O-N 3.02Å; L122-N124 PolarHBondContact O-N 2.88Å
125	R	98.3	Very high	98.4	Very high	112 Å²	112	29.3 Å²	29.3	42%	0.423	14%	0.139	S	C	.	.	H	α-helix	trans	-119.8	-1.7	-173.2	-60.1	-58.6	-172.3	-177.9	-0	113.8	P82 R121 L122 V123 H339 F425 E427	P82-R125 WeakPolarHBondContact CD-O 3.46Å; R121-R125 VanDerWaalsContact O-CB 3.29Å; R121-R125 WeakPolarHBondContact O-CB 3.15Å; R121-R125 VanDerWaalsContact O-CG 3.3Å; R121-R125 WeakPolarHBondContact O-CG 3.26Å; R121-R125 PolarHBondContact O-N 2.68Å; L122-R125 PolarHBondContact O-N 3.33Å; V123-R125 VanDerWaalsContact C-N 3.3Å; V123-R125 PolarHBondContact O-N 2.85Å; R125-H339 PolarHBondContact O-CE1 3.49Å; R125-H339 PolarHBondContact O-NE2 3.38Å; R125-F425 HydrophobicContact CB-CE1 3.79Å; R125-F425 HydrophobicContact CB-CZ 3.77Å; R125-F425 HydrophobicContact CG-CE1 3.9Å; R125-F425 HydrophobicContact CG-CZ 4.29Å; R125-E427 HydrophobicContact CB-CG 4.41Å; R125-E427 WeakPolarHBondContact CD-OE1 3.42Å; R125-E427 HydrophobicContact CG-CG 4.37Å; R125-E427 IonicContact CZ-OE1 3.12Å; R125-E427 IonicContact NE-OE1 3.02Å; R125-E427 PolarHBondContact NE-OE1 3.12Å; R125-E427 IonicContact NH1-OE1 3.65Å
126	T	98.8	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.			trans	-142.8	137.6	177.2	-59	0	0	0	0	108.2	F84 L122 I128 I335 V338 H339	F84-T126 HydrophobicContact CB-CG2 3.82Å; L122-T126 WeakPolarHBondContact O-CB 3.28Å; L122-T126 PolarHBondContact O-N 2.79Å; T126-I128 HydrophobicContact CG2-CG1 3.69Å; T126-I335 HydrophobicContact CG2-CG2 4.26Å; T126-V338 HydrophobicContact CG2-CG1 3.83Å; T126-H339 PolarHBondContact OG1-NE2 2.81Å
127	R	98.8	Very high	98.4	Very high	13 Å²	13	20.6 Å²	20.6	5%	0.049	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.6	166.2	-175.9	172.2	175.5	-133.3	7.8	108.7	F70 A74 N75 A76 S77 I81 P82 E83 F84	F70-R127 CarbonylContact O-C 3.33Å; F70-R127 VanDerWaalsContact O-CA 3.27Å; F70-R127 WeakPolarHBondContact O-CA 3.24Å; A74-R127 PolarHBondContact O-NE 3.25Å; A74-R127 PolarHBondContact O-NH2 3.41Å; N75-R127 VanDerWaalsContact C-NH2 3.35Å; A76-R127 VanDerWaalsContact C-CZ 3.44Å; A76-R127 WeakPolarHBondContact O-CD 3.33Å; A76-R127 PolarHBondContact O-NE 2.91Å; S77-R127 PolarHBondContact OG-NH1 2.61Å; S77-R127 VanDerWaalsContact OG-NH1 3.12Å; I81-R127 HydrophobicContact CG2-CB 3.99Å; P82-R127 PolarHBondContact O-N 2.93Å; E83-R127 IonicContact OE1-CZ 3.45Å; E83-R127 IonicContact OE1-NH1 3.8Å; E83-R127 PolarHBondContact OE1-NH1 2.8Å; E83-R127 WeakPolarHBondContact OE2-CB 3.19Å; E83-R127 VanDerWaalsContact OE2-CD 3.28Å; E83-R127 WeakPolarHBondContact OE2-CD 3.24Å; E83-R127 VanDerWaalsContact OE2-CG 3.24Å; E83-R127 WeakPolarHBondContact OE2-CG 3.32Å; E83-R127 IonicContact OE2-NH1 3.72Å; F84-R127 PolarHBondContact N-O 3.1Å
128	I	98.9	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	115.3	-168.6	-54.6	166.5	0	0	0	107.9	A69 F70 F84 L108 L122 T126 I130 I335	A69-I128 CarbonylContact C-O 3.59Å; A69-I128 WeakPolarHBondContact CA-O 3.46Å; F70-I128 HydrophobicContact CB-CB 4.38Å; F70-I128 PolarHBondContact N-O 2.74Å; F70-I128 PolarHBondContact O-N 3.46Å; F84-I128 HydrophobicContact CD1-CG2 3.9Å; F84-I128 HydrophobicContact CE1-CG2 4.49Å; L108-I128 HydrophobicContact CD1-CD1 4.35Å; L122-I128 HydrophobicContact CD2-CD1 4.07Å; L122-I128 HydrophobicContact CG-CD1 4.06Å; T126-I128 HydrophobicContact CG2-CG1 3.69Å; I128-I130 HydrophobicContact CG2-CD1 4.41Å; I128-I130 HydrophobicContact CG2-CG1 4.14Å; I128-I335 HydrophobicContact CD1-CD1 4.43Å; I128-I335 HydrophobicContact CD1-CG2 3.91Å; I128-I335 HydrophobicContact CG1-CG2 3.94Å; I128-I335 HydrophobicContact CG2-CD1 4.3Å
129	H	98.9	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.3	175.6	-63.8	-107.7	0	0	0	111	Y49 V67 E83 F84 K85 Y86 W205 F211	Y49-H129 AromaticContact CE1-ND1 3.67Å; Y49-H129 AromaticContact CZ-ND1 3.62Å; Y49-H129 PolarHBondContact OH-CE1 3.3Å; Y49-H129 PolarHBondContact OH-ND1 3.34Å; V67-H129 HydrophobicContact CG1-CB 4.09Å; E83-H129 IonicContact OE2-CD2 2.71Å; E83-H129 IonicContact OE2-NE2 3.65Å; E83-H129 PolarHBondContact OE2-NE2 3.12Å; F84-H129 PolarHBondContact O-N 3.16Å; K85-H129 CarbonylContact C-O 3.58Å; K85-H129 VanDerWaalsContact CA-O 3.26Å; K85-H129 WeakPolarHBondContact CA-O 3.24Å; K85-H129 HydrophobicContact CB-CB 4.34Å; Y86-H129 PolarHBondContact N-O 3.28Å; H129-W205 HydrophobicContact CB-CH2 4.3Å; H129-W205 HydrophobicContact CB-CZ2 3.68Å; H129-F211 HydrophobicContact CB-CE1 4.02Å; H129-F211 HydrophobicContact CB-CZ 4.24Å; H129-F211 AromaticContact CD2-CE1 3.67Å; H129-F211 AromaticContact CG-CE1 3.84Å
130	I	98.9	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114.1	-178.3	-61.5	177.4	0	0	0	108.3	V67 I68 F70 L101 L104 A105 L108 I128 P132	V67-I130 WeakPolarHBondContact CA-O 3.45Å; V67-I130 WeakPolarHBondContact CG1-O 3.43Å; I68-I130 HydrophobicContact CG2-CB 3.88Å; I68-I130 HydrophobicContact CG2-CG2 4.38Å; I68-I130 PolarHBondContact N-O 2.8Å; I68-I130 PolarHBondContact O-N 3.5Å; F70-I130 HydrophobicContact CD2-CD1 4.37Å; F70-I130 HydrophobicContact CE2-CD1 4.26Å; L101-I130 HydrophobicContact CB-CG2 3.63Å; L101-I130 HydrophobicContact CD1-CG2 4.03Å; L101-I130 HydrophobicContact CD2-CG2 4.11Å; L101-I130 HydrophobicContact CG-CG2 4.12Å; L104-I130 HydrophobicContact CD2-CD1 3.96Å; L104-I130 HydrophobicContact CG-CD1 4.09Å; A105-I130 HydrophobicContact CB-CD1 4.47Å; L108-I130 HydrophobicContact CD1-CD1 4.2Å; I128-I130 HydrophobicContact CG2-CD1 4.41Å; I128-I130 HydrophobicContact CG2-CG1 4.14Å; I130-P132 HydrophobicContact CG2-CG 4.23Å; I130-P132 WeakPolarHBondContact O-CD 3.46Å
131	L	98.8	Very high	98.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	97.3	169.1	176.8	54.9	0	0	0	109.1	L51 L65 F66 V67 Y86 I87 A88 S133 M134 V202 W205	L51-L131 HydrophobicContact CD1-CD2 3.82Å; L65-L131 HydrophobicContact CB-CD1 4.08Å; F66-L131 WeakPolarHBondContact O-CD1 3.38Å; V67-L131 HydrophobicContact CG2-CB 4.08Å; V67-L131 HydrophobicContact CG2-CD1 3.98Å; V67-L131 HydrophobicContact CG2-CG 4.47Å; Y86-L131 PolarHBondContact O-N 2.95Å; I87-L131 WeakPolarHBondContact CA-O 3.45Å; I87-L131 HydrophobicContact CB-CB 4.39Å; I87-L131 HydrophobicContact CD1-CD2 3.64Å; I87-L131 HydrophobicContact CD1-CG 4.49Å; I87-L131 HydrophobicContact CG1-CB 4.23Å; I87-L131 HydrophobicContact CG1-CD2 3.8Å; I87-L131 HydrophobicContact CG1-CG 4.11Å; A88-L131 PolarHBondContact N-O 2.81Å; A88-L131 VanDerWaalsContact N-O 3.11Å; L131-S133 VanDerWaalsContact C-N 3.27Å; L131-S133 WeakPolarHBondContact CD1-O 3.37Å; L131-S133 PolarHBondContact O-N 3.09Å; L131-M134 HydrophobicContact CD2-CB 4.36Å; L131-V202 HydrophobicContact CD2-CG2 4.47Å; L131-W205 HydrophobicContact CB-CH2 4.21Å; L131-W205 HydrophobicContact CB-CZ3 4.22Å; L131-W205 HydrophobicContact CD2-CZ3 4.09Å
132	P	98.6	Very high	98.2	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.013	7%	0.069	C	C	.	.	S	Bend	trans	-64.6	-28.3	-175.3	-24.9	36.7	0	0	0	114.4	I31 F66 R98 L101 I102 I130	I31-P132 HydrophobicContact CD1-CB 3.83Å; I31-P132 HydrophobicContact CG2-CB 4.19Å; I31-P132 HydrophobicContact CG2-CG 4.07Å; F66-P132 VanDerWaalsContact O-CD 3.24Å; F66-P132 WeakPolarHBondContact O-CD 3.48Å; R98-P132 WeakPolarHBondContact CA-O 3.45Å; R98-P132 VanDerWaalsContact CB-O 3.29Å; R98-P132 WeakPolarHBondContact CB-O 3.39Å; L101-P132 HydrophobicContact CB-CB 4.32Å; I102-P132 HydrophobicContact CG2-CB 3.81Å; I102-P132 HydrophobicContact CG2-CG 3.92Å; I130-P132 HydrophobicContact CG2-CG 4.23Å; I130-P132 WeakPolarHBondContact O-CD 3.46Å
133	S	98.7	Very high	98	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.021	8%	0.08	C	C	.	.			trans	-149	119.1	178.3	-179	0	0	0	0	111.2	A88 N89 R98 L131	A88-S133 VanDerWaalsContact O-CA 3.3Å; A88-S133 WeakPolarHBondContact O-CA 3.34Å; N89-S133 PolarHBondContact OD1-OG 2.82Å; R98-S133 PolarHBondContact NH1-OG 3.35Å; L131-S133 VanDerWaalsContact C-N 3.27Å; L131-S133 WeakPolarHBondContact CD1-O 3.37Å; L131-S133 PolarHBondContact O-N 3.09Å
134	M	98.7	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-82.3	-27.9	169.7	-177.5	-177.8	174.1	0	0	112.1	L65 I87 A88 M90 L131 P136 L161 F165 E198 V202 M292	L65-M134 VanDerWaalsContact CD2-O 3.26Å; L65-M134 WeakPolarHBondContact CD2-O 3.27Å; I87-M134 HydrophobicContact CD1-CB 3.87Å; I87-M134 HydrophobicContact CD1-CG 4.03Å; I87-M134 HydrophobicContact CD1-SD 3.63Å; I87-M134 HydrophobicContact CG1-CB 4.03Å; A88-M134 PolarHBondContact O-N 3.47Å; M90-M134 HydrophobicContact CB-CB 4.02Å; M90-M134 HydrophobicContact CB-CG 4.25Å; M90-M134 HydrophobicContact CB-SD 3.62Å; M90-M134 HydrophobicContact CE-SD 4.3Å; L131-M134 HydrophobicContact CD2-CB 4.36Å; M134-P136 VanDerWaalsContact C-CD 3.43Å; M134-P136 WeakPolarHBondContact O-CD 3.36Å; M134-L161 HydrophobicContact CE-CB 4.39Å; M134-L161 HydrophobicContact CE-CD1 4.22Å; M134-L161 HydrophobicContact CG-CD1 4.35Å; M134-F165 HydrophobicContact CE-CE2 4.01Å; M134-F165 HydrophobicContact CE-CZ 3.84Å; M134-E198 HydrophobicContact CE-CB 4.44Å; M134-E198 HydrophobicContact CG-CB 4.5Å; M134-E198 WeakPolarHBondContact O-CG 3.32Å; M134-V202 HydrophobicContact CE-CB 4.12Å; M134-V202 HydrophobicContact CE-CG2 3.66Å; M134-V202 HydrophobicContact CG-CG2 4.03Å; M134-V202 HydrophobicContact SD-CG2 3.88Å; M134-M292 HydrophobicContact SD-SD 4.01Å
135	N	98.6	Very high	97.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.			trans	-124.1	67.7	-177.9	-174.1	10.9	0	0	0	112.1	N89 M90 G92 D137 G138 W139 R153 G154 N155 L161	N89-N135 VanDerWaalsContact O-CB 3.28Å; N89-N135 WeakPolarHBondContact O-CB 3.21Å; N89-N135 PolarHBondContact O-N 3.29Å; M90-N135 WeakPolarHBondContact O-CB 3.17Å; M90-N135 PolarHBondContact O-ND2 2.92Å; M90-N135 VanDerWaalsContact O-ND2 3.16Å; G92-N135 PolarHBondContact N-ND2 3.32Å; N135-D137 PolarHBondContact O-N 3.09Å; N135-G138 PolarHBondContact O-N 3.1Å; N135-G138 WeakPolarHBondContact OD1-CA 3.45Å; N135-G138 PolarHBondContact OD1-N 3.39Å; N135-W139 PolarHBondContact O-N 3.45Å; N135-W139 VanDerWaalsContact O-N 3.1Å; N135-R153 PolarHBondContact ND2-O 2.89Å; N135-G154 VanDerWaalsContact ND2-C 3.26Å; N135-G154 PolarHBondContact ND2-O 3.11Å; N135-G154 VanDerWaalsContact ND2-O 3.1Å; N135-N155 PolarHBondContact ND2-N 2.93Å; N135-N155 VanDerWaalsContact OD1-CA 3.29Å; N135-N155 WeakPolarHBondContact OD1-CA 3.48Å; N135-L161 HydrophobicContact CB-CD1 3.77Å
136	P	98.3	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-32.5	177.2	26.7	-35	0	0	0	112.4	Q28 T59 N63 L65 M134 W139 E140	Q28-P136 HydrophobicContact CB-CB 4.46Å; Q28-P136 HydrophobicContact CG-CB 4.16Å; T59-P136 HydrophobicContact CG2-CG 4.09Å; N63-P136 HydrophobicContact CB-CB 3.96Å; N63-P136 HydrophobicContact CB-CG 3.53Å; L65-P136 VanDerWaalsContact CD2-CD 3.47Å; L65-P136 HydrophobicContact CD2-CG 3.82Å; M134-P136 VanDerWaalsContact C-CD 3.43Å; M134-P136 WeakPolarHBondContact O-CD 3.36Å; P136-W139 PolarHBondContact O-N 2.86Å; P136-E140 WeakPolarHBondContact O-CG 3.09Å; P136-E140 PolarHBondContact O-N 2.77Å
137	D	98.3	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62	-47.6	177.5	-71.7	16.4	0	0	0	111.8	T59 N61 N63 N135 W139 E140 I141 S156	T59-D137 WeakPolarHBondContact CB-OD1 3.39Å; T59-D137 WeakPolarHBondContact CB-OD2 3.36Å; T59-D137 VanDerWaalsContact OG1-CG 3.25Å; T59-D137 PolarHBondContact OG1-OD1 3.04Å; T59-D137 PolarHBondContact OG1-OD2 3.4Å; N61-D137 WeakPolarHBondContact CB-OD2 3.47Å; N61-D137 PolarHBondContact N-OD2 3.06Å; N61-D137 VanDerWaalsContact N-OD2 3.09Å; N63-D137 PolarHBondContact ND2-OD1 3.46Å; N135-D137 PolarHBondContact O-N 3.09Å; D137-W139 VanDerWaalsContact C-N 3.33Å; D137-E140 PolarHBondContact O-N 3.25Å; D137-I141 WeakPolarHBondContact O-CG1 3.29Å; D137-I141 PolarHBondContact O-N 3.05Å; D137-S156 WeakPolarHBondContact OD2-CB 3.37Å; D137-S156 PolarHBondContact OD2-OG 3.06Å
138	G	97.9	Very high	94.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-38.5	175.3	0	0	0	0	0	112	N135 E140 I141 A142 G152 G154	N135-G138 PolarHBondContact O-N 3.1Å; N135-G138 WeakPolarHBondContact OD1-CA 3.45Å; N135-G138 PolarHBondContact OD1-N 3.39Å; G138-E140 PolarHBondContact O-N 3.36Å; G138-I141 WeakPolarHBondContact O-CB 3.44Å; G138-I141 PolarHBondContact O-N 2.94Å; G138-A142 WeakPolarHBondContact O-CB 3.33Å; G138-A142 PolarHBondContact O-N 2.89Å; G138-G152 CarbonylContact C-O 3.55Å; G138-G152 VanDerWaalsContact CA-O 3.31Å; G138-G152 WeakPolarHBondContact CA-O 3.38Å; G138-G152 WeakPolarHBondContact O-CA 3.47Å; G138-G154 WeakPolarHBondContact CA-O 3.3Å
139	W	97.5	Very high	93.6	Very high	17 Å²	17	41.7 Å²	41.7	6%	0.064	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-42.4	176.8	-178.9	92.2	0	0	0	112.2	H25 S27 G92 N135 P136 D137 I141 A142 A143	H25-W139 HydrophobicContact CB-CZ2 3.83Å; S27-W139 VanDerWaalsContact CA-CH2 3.44Å; G92-W139 WeakPolarHBondContact O-CA 3.26Å; N135-W139 PolarHBondContact O-N 3.45Å; N135-W139 VanDerWaalsContact O-N 3.1Å; P136-W139 PolarHBondContact O-N 2.86Å; D137-W139 VanDerWaalsContact C-N 3.33Å; W139-I141 VanDerWaalsContact C-N 3.29Å; W139-I141 PolarHBondContact O-N 3.47Å; W139-A142 PolarHBondContact O-N 2.95Å; W139-A143 HydrophobicContact CD2-CB 4.28Å; W139-A143 HydrophobicContact CE3-CB 4.18Å; W139-A143 HydrophobicContact CH2-CB 3.87Å; W139-A143 HydrophobicContact CZ2-CB 4Å; W139-A143 HydrophobicContact CZ3-CB 3.95Å; W139-A143 WeakPolarHBondContact O-CB 3.32Å; W139-A143 PolarHBondContact O-N 3.47Å
140	E	96.9	Very high	92.8	Very high	65 Å²	65	48.1 Å²	48.1	30%	0.304	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-39.2	177	-73.6	170.6	176	0	0	112.1	N63 P136 D137 G138 S144	N63-E140 PolarHBondContact ND2-OE1 3.23Å; N63-E140 PolarHBondContact ND2-OE2 3.39Å; N63-E140 PolarHBondContact OD1-OE1 3.38Å; P136-E140 WeakPolarHBondContact O-CG 3.09Å; P136-E140 PolarHBondContact O-N 2.77Å; D137-E140 PolarHBondContact O-N 3.25Å; G138-E140 PolarHBondContact O-N 3.36Å; E140-S144 PolarHBondContact O-N 2.65Å; E140-S144 PolarHBondContact O-OG 3.06Å
141	I	96.2	Very high	92.4	Very high	47 Å²	47	52.1 Å²	52.1	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-49	175.3	-65.7	167.3	0	0	0	110.3	D137 G138 W139 S144 N145 F151	D137-I141 WeakPolarHBondContact O-CG1 3.29Å; D137-I141 PolarHBondContact O-N 3.05Å; G138-I141 WeakPolarHBondContact O-CB 3.44Å; G138-I141 PolarHBondContact O-N 2.94Å; W139-I141 VanDerWaalsContact C-N 3.29Å; W139-I141 PolarHBondContact O-N 3.47Å; I141-S144 PolarHBondContact O-N 3.01Å; I141-N145 PolarHBondContact O-N 3Å; I141-N145 PolarHBondContact O-ND2 2.78Å; I141-F151 HydrophobicContact CG2-CD1 3.52Å; I141-F151 HydrophobicContact CG2-CE1 3.48Å; I141-F151 VanDerWaalsContact CG2-CE1 3.48Å; I141-F151 HydrophobicContact CG2-CG 4.47Å; I141-F151 HydrophobicContact CG2-CZ 4.38Å
142	A	96.1	Very high	92.2	Very high	3 Å²	3	52.6 Å²	52.6	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-43	-179.7	0	0	0	0	0	112.1	D93 G138 W139 S144 N145 K146 F151 F314	D93-A142 HydrophobicContact CB-CB 3.97Å; G138-A142 WeakPolarHBondContact O-CB 3.33Å; G138-A142 PolarHBondContact O-N 2.89Å; W139-A142 PolarHBondContact O-N 2.95Å; A142-S144 PolarHBondContact O-N 3.25Å; A142-N145 CarbonylContact O-C 3.58Å; A142-N145 PolarHBondContact O-N 3.4Å; A142-K146 PolarHBondContact O-N 3.22Å; A142-K146 VanDerWaalsContact O-N 3.16Å; A142-F151 WeakPolarHBondContact CA-O 3.24Å; A142-F151 WeakPolarHBondContact CB-O 3.32Å; A142-F314 HydrophobicContact CB-CD2 4.09Å; A142-F314 HydrophobicContact CB-CE2 3.86Å
143	A	94.6	Very high	92.2	Very high	26 Å²	26	54.6 Å²	54.6	22%	0.215	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-28.1	-179.8	0	0	0	0	0	112.9	W139 N145 K146 F314	W139-A143 HydrophobicContact CD2-CB 4.28Å; W139-A143 HydrophobicContact CE3-CB 4.18Å; W139-A143 HydrophobicContact CH2-CB 3.87Å; W139-A143 HydrophobicContact CZ2-CB 4Å; W139-A143 HydrophobicContact CZ3-CB 3.95Å; W139-A143 WeakPolarHBondContact O-CB 3.32Å; W139-A143 PolarHBondContact O-N 3.47Å; A143-N145 VanDerWaalsContact C-N 3.33Å; A143-K146 VanDerWaalsContact O-CE 3.31Å; A143-K146 WeakPolarHBondContact O-CE 3.43Å; A143-F314 HydrophobicContact CB-CE2 4.34Å; A143-F314 HydrophobicContact CB-CZ 4.01Å
144	S	92	Very high	92.1	Very high	95 Å²	95	55 Å²	55	66%	0.664	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.7	175.1	-55.2	0	0	0	0	113.3	E140 I141 A142	E140-S144 PolarHBondContact O-N 2.65Å; E140-S144 PolarHBondContact O-OG 3.06Å; I141-S144 PolarHBondContact O-N 3.01Å; A142-S144 PolarHBondContact O-N 3.25Å
145	N	89.4	Confident	92.1	Very high	53 Å²	53	55.1 Å²	55.1	28%	0.283	28%	0.278	S	S	.	.			trans	-142.7	45.4	-170.5	-63.5	-80.4	0	0	0	111.7	I141 A142 A143 D147 F148 F151	I141-N145 PolarHBondContact O-N 3Å; I141-N145 PolarHBondContact O-ND2 2.78Å; A142-N145 CarbonylContact O-C 3.58Å; A142-N145 PolarHBondContact O-N 3.4Å; A143-N145 VanDerWaalsContact C-N 3.33Å; N145-D147 PolarHBondContact O-N 3.22Å; N145-F148 HydrophobicContact CB-CD2 3.98Å; N145-F148 PolarHBondContact O-N 2.8Å; N145-F151 HydrophobicContact CB-CD1 3.7Å; N145-F151 HydrophobicContact CB-CE1 4.28Å
146	K	82.2	Confident	92	Very high	116 Å²	116	56.5 Å²	56.5	50%	0.504	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25	-169	-61.6	177.8	-175.4	169.1	0	115	A142 A143 F148 F314	A142-K146 PolarHBondContact O-N 3.22Å; A142-K146 VanDerWaalsContact O-N 3.16Å; A143-K146 VanDerWaalsContact O-CE 3.31Å; A143-K146 WeakPolarHBondContact O-CE 3.43Å; K146-F148 VanDerWaalsContact C-N 3.32Å; K146-F314 HydrophobicContact CD-CD1 4.33Å; K146-F314 HydrophobicContact CD-CE1 3.97Å; K146-F314 HydrophobicContact CD-CZ 4.46Å; K146-F314 HydrophobicContact CG-CD1 4.23Å; K146-F314 HydrophobicContact CG-CE1 4.01Å; K146-F314 HydrophobicContact CG-CZ 4.17Å
147	D	79.5	Confident	91.9	Very high	148 Å²	148	62.4 Å²	62.4	79%	0.791	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-8.2	-179.7	-56.6	-44.7	0	0	0	113.4	N145	N145-D147 PolarHBondContact O-N 3.22Å
148	F	80.1	Confident	91.8	Very high	133 Å²	133	72.4 Å²	72.4	58%	0.583	35%	0.351	S	S	*	.	S	Bend	trans	-104.9	98.3	-176.8	-65	-83.6	0	0	0	111.3	N145 K146 F151	N145-F148 HydrophobicContact CB-CD2 3.98Å; N145-F148 PolarHBondContact O-N 2.8Å; K146-F148 VanDerWaalsContact C-N 3.32Å; F148-F151 HydrophobicContact CB-CB 3.73Å; F148-F151 HydrophobicContact CB-CG 4.4Å; F148-F151 VanDerWaalsContact O-CB 3.3Å; F148-F151 WeakPolarHBondContact O-CB 3.49Å; F148-F151 PolarHBondContact O-N 2.77Å; F148-F151 VanDerWaalsContact O-N 3.16Å
149	H	75.2	Confident	91.8	Very high	167 Å²	167	74.4 Å²	74.4	77%	0.773	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	140.2	174.4	-64.2	-71	0	0	0	111.8	F151	H149-F151 PolarHBondContact O-N 3Å
150	E	83	Confident	91.9	Very high	135 Å²	135	75.2 Å²	75.2	63%	0.631	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	-10.5	-177.6	-48.2	-174.4	154.4	0	0	115.8	D93 G152 R153	D93-E150 WeakPolarHBondContact OD2-CA 3.46Å; D93-E150 PolarHBondContact OD2-N 3.46Å; E150-G152 PolarHBondContact O-N 2.79Å; E150-R153 WeakPolarHBondContact O-CB 3.38Å; E150-R153 PolarHBondContact O-N 3.02Å
151	F	90	Very high	92	Very high	85 Å²	85	72.1 Å²	72.1	37%	0.373	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	114.4	176.8	-155	-101.2	0	0	0	110.1	I141 A142 N145 F148 H149	I141-F151 HydrophobicContact CG2-CD1 3.52Å; I141-F151 HydrophobicContact CG2-CE1 3.48Å; I141-F151 VanDerWaalsContact CG2-CE1 3.48Å; I141-F151 HydrophobicContact CG2-CG 4.47Å; I141-F151 HydrophobicContact CG2-CZ 4.38Å; A142-F151 WeakPolarHBondContact CA-O 3.24Å; A142-F151 WeakPolarHBondContact CB-O 3.32Å; N145-F151 HydrophobicContact CB-CD1 3.7Å; N145-F151 HydrophobicContact CB-CE1 4.28Å; F148-F151 HydrophobicContact CB-CB 3.73Å; F148-F151 HydrophobicContact CB-CG 4.4Å; F148-F151 VanDerWaalsContact O-CB 3.3Å; F148-F151 WeakPolarHBondContact O-CB 3.49Å; F148-F151 PolarHBondContact O-N 2.77Å; F148-F151 VanDerWaalsContact O-N 3.16Å; H149-F151 PolarHBondContact O-N 3Å
152	G	95.4	Very high	92	Very high	9 Å²	9	70.1 Å²	70.1	9%	0.093	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	6.4	-170.7	0	0	0	0	0	114.3	G92 D93 G138 E150 G154	G92-G152 CarbonylContact C-O 3.44Å; G92-G152 WeakPolarHBondContact CA-O 3.48Å; G92-G152 PolarHBondContact N-O 2.79Å; D93-G152 PolarHBondContact N-O 2.85Å; G138-G152 CarbonylContact C-O 3.55Å; G138-G152 VanDerWaalsContact CA-O 3.31Å; G138-G152 WeakPolarHBondContact CA-O 3.38Å; G138-G152 WeakPolarHBondContact O-CA 3.47Å; E150-G152 PolarHBondContact O-N 2.79Å; G152-G154 CarbonylContact C-O 3.13Å
153	R	97	Very high	92.1	Very high	44 Å²	44	74.5 Å²	74.5	17%	0.166	36%	0.36	C	S	.	.	S	Bend	trans	-55.9	-56.9	168.5	179.6	-171.9	178.4	81.6	-7.3	111	H91 G92 D93 E94 N135 E150 D160	H91-R153 WeakPolarHBondContact CA-O 3.26Å; H91-R153 HydrophobicContact CB-CG 3.97Å; H91-R153 PolarHBondContact CE1-NH2 3.18Å; H91-R153 PolarHBondContact ND1-NH1 3.04Å; H91-R153 VanDerWaalsContact ND1-NH1 3.2Å; H91-R153 PolarHBondContact ND1-NH2 2.93Å; G92-R153 PolarHBondContact N-O 3.4Å; G92-R153 VanDerWaalsContact N-O 3.14Å; D93-R153 VanDerWaalsContact OD1-CA 3.22Å; D93-R153 WeakPolarHBondContact OD1-CA 3.16Å; D93-R153 WeakPolarHBondContact OD1-CB 3.5Å; E94-R153 IonicContact OE1-CZ 2.86Å; E94-R153 IonicContact OE1-NH1 2.78Å; E94-R153 PolarHBondContact OE1-NH1 3.03Å; N135-R153 PolarHBondContact ND2-O 2.89Å; E150-R153 WeakPolarHBondContact O-CB 3.38Å; E150-R153 PolarHBondContact O-N 3.02Å; R153-D160 IonicContact CZ-OD2 3.9Å; R153-D160 IonicContact NE-OD2 3.45Å; R153-D160 PolarHBondContact NE-OD2 2.83Å; R153-D160 VanDerWaalsContact NE-OD2 3.09Å; R153-D160 IonicContact NH2-OD2 2.91Å; R153-D160 PolarHBondContact NH2-OD2 2.93Å
154	G	97.7	Very high	92.3	Very high	11 Å²	11	74.5 Å²	74.5	11%	0.113	36%	0.357	C	S	.	.	S	Bend	trans	-70.2	172.1	175	0	0	0	0	0	112.5	N135 G138 G152 V159	N135-G154 VanDerWaalsContact ND2-C 3.26Å; N135-G154 PolarHBondContact ND2-O 3.11Å; N135-G154 VanDerWaalsContact ND2-O 3.1Å; G138-G154 WeakPolarHBondContact CA-O 3.3Å; G152-G154 CarbonylContact C-O 3.13Å; G154-V159 CarbonylContact C-O 3.49Å; G154-V159 WeakPolarHBondContact CA-O 3.21Å
155	N	98	Very high	92.6	Very high	3 Å²	3	70.3 Å²	70.3	2%	0.016	33%	0.326	C	S	.	.			trans	-68.3	-171.5	171.6	74.6	-8	0	0	0	112.1	N135 K157 R158 V159 L161 Q196 E198	N135-N155 PolarHBondContact ND2-N 2.93Å; N135-N155 VanDerWaalsContact OD1-CA 3.29Å; N135-N155 WeakPolarHBondContact OD1-CA 3.48Å; N155-K157 PolarHBondContact O-N 2.95Å; N155-K157 WeakPolarHBondContact OD1-CA 3.35Å; N155-K157 PolarHBondContact OD1-N 3.47Å; N155-R158 WeakPolarHBondContact O-CA 3.45Å; N155-R158 PolarHBondContact O-N 3.49Å; N155-R158 PolarHBondContact OD1-N 2.86Å; N155-V159 PolarHBondContact N-O 2.94Å; N155-V159 PolarHBondContact OD1-N 3.46Å; N155-V159 VanDerWaalsContact OD1-N 3.13Å; N155-L161 HydrophobicContact CB-CD1 4.48Å; N155-L161 HydrophobicContact CB-CD2 4.15Å; N155-L161 HydrophobicContact CB-CG 4.39Å; N155-Q196 WeakPolarHBondContact ND2-CG 3.49Å; N155-Q196 PolarHBondContact ND2-OE1 3.31Å; N155-Q196 VanDerWaalsContact ND2-OE1 3.08Å; N155-E198 PolarHBondContact ND2-OE2 3.37Å; N155-E198 VanDerWaalsContact ND2-OE2 3.1Å
156	S	96.6	Very high	93.1	Very high	30 Å²	30	68 Å²	68	21%	0.21	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.9	177.1	44.7	0	0	0	0	114.1	Q60 N61 D137	Q60-S156 WeakPolarHBondContact CB-OG 3.5Å; N61-S156 WeakPolarHBondContact OD1-CB 3.44Å; D137-S156 WeakPolarHBondContact OD2-CB 3.37Å; D137-S156 PolarHBondContact OD2-OG 3.06Å
157	K	96.7	Very high	93.8	Very high	123 Å²	123	64.3 Å²	64.3	54%	0.535	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	7.5	174	-65.3	-176.4	-178	168.1	0	113.7	Q60 N155 V159	Q60-K157 VanDerWaalsContact OE1-CE 3.26Å; N155-K157 PolarHBondContact O-N 2.95Å; N155-K157 WeakPolarHBondContact OD1-CA 3.35Å; N155-K157 PolarHBondContact OD1-N 3.47Å; K157-V159 HydrophobicContact CB-CG2 4.26Å; K157-V159 PolarHBondContact O-N 3.01Å
158	R	96.4	Very high	94.7	Very high	210 Å²	210	57.5 Å²	57.5	79%	0.792	26%	0.264	S	S	*	.			trans	61.6	25.3	-177.1	-51.9	179	179.5	177.7	-1.7	113.7	N155	N155-R158 WeakPolarHBondContact O-CA 3.45Å; N155-R158 PolarHBondContact O-N 3.49Å; N155-R158 PolarHBondContact OD1-N 2.86Å
159	V	98.1	Very high	95.4	Very high	42 Å²	42	51.2 Å²	51.2	26%	0.255	24%	0.237	S	C	.	.			trans	-85.5	130.5	173.4	-179.4	0	0	0	0	109.3	G154 N155 K157 L161 D164 Q196	G154-V159 CarbonylContact C-O 3.49Å; G154-V159 WeakPolarHBondContact CA-O 3.21Å; N155-V159 PolarHBondContact N-O 2.94Å; N155-V159 PolarHBondContact OD1-N 3.46Å; N155-V159 VanDerWaalsContact OD1-N 3.13Å; K157-V159 HydrophobicContact CB-CG2 4.26Å; K157-V159 PolarHBondContact O-N 3.01Å; V159-L161 PolarHBondContact O-N 2.75Å; V159-D164 HydrophobicContact CG1-CB 4.11Å; V159-Q196 HydrophobicContact CB-CG 3.74Å; V159-Q196 HydrophobicContact CG1-CG 3.72Å; V159-Q196 HydrophobicContact CG2-CG 4.09Å
160	D	98	Very high	96.4	Very high	34 Å²	34	49.8 Å²	49.8	18%	0.182	23%	0.228	C	C	.	.			trans	-71.6	108.1	169.3	-174.8	-36.4	0	0	0	108.4	H91 R153 N162 R163	H91-D160 IonicContact CD2-OD1 3.74Å; H91-D160 IonicContact NE2-OD1 3.01Å; H91-D160 PolarHBondContact NE2-OD1 3.25Å; H91-D160 IonicContact NE2-OD2 2.65Å; R153-D160 IonicContact CZ-OD2 3.9Å; R153-D160 IonicContact NE-OD2 3.45Å; R153-D160 PolarHBondContact NE-OD2 2.83Å; R153-D160 VanDerWaalsContact NE-OD2 3.09Å; R153-D160 IonicContact NH2-OD2 2.91Å; R153-D160 PolarHBondContact NH2-OD2 2.93Å; D160-N162 PolarHBondContact O-N 2.89Å; D160-N162 WeakPolarHBondContact OD1-CA 3.39Å; D160-N162 WeakPolarHBondContact OD1-CB 3.18Å; D160-N162 PolarHBondContact OD1-N 2.98Å; D160-R163 HydrophobicContact CB-CB 4.34Å; D160-R163 HydrophobicContact CB-CG 4.1Å; D160-R163 PolarHBondContact O-N 2.99Å
161	L	98.7	Very high	97.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-64.9	-21.1	-177.7	-60.9	-176.8	0	0	0	112.5	M90 M134 N135 N155 V159 R163 D164 F165 Q196 E198	M90-L161 VanDerWaalsContact CE-C 3.45Å; M90-L161 HydrophobicContact CE-CB 4.01Å; M134-L161 HydrophobicContact CE-CB 4.39Å; M134-L161 HydrophobicContact CE-CD1 4.22Å; M134-L161 HydrophobicContact CG-CD1 4.35Å; N135-L161 HydrophobicContact CB-CD1 3.77Å; N155-L161 HydrophobicContact CB-CD1 4.48Å; N155-L161 HydrophobicContact CB-CD2 4.15Å; N155-L161 HydrophobicContact CB-CG 4.39Å; V159-L161 PolarHBondContact O-N 2.75Å; L161-R163 PolarHBondContact O-N 2.78Å; L161-D164 PolarHBondContact O-N 2.99Å; L161-F165 WeakPolarHBondContact O-CD2 3.37Å; L161-F165 WeakPolarHBondContact O-CE2 3.3Å; L161-Q196 HydrophobicContact CD2-CB 3.75Å; L161-Q196 HydrophobicContact CD2-CG 3.82Å; L161-E198 HydrophobicContact CD1-CB 3.77Å; L161-E198 HydrophobicContact CD1-CG 4.21Å; L161-E198 HydrophobicContact CD2-CB 4.33Å
162	N	98.2	Very high	97.4	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.027	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-87.8	18.6	174.1	-156.2	21.8	0	0	0	112.3	M90 D160 G290 G291 M292	M90-N162 VanDerWaalsContact CE-CA 3.4Å; M90-N162 HydrophobicContact CE-CB 3.37Å; M90-N162 VanDerWaalsContact CE-N 3.3Å; M90-N162 HydrophobicContact SD-CB 3.98Å; D160-N162 PolarHBondContact O-N 2.89Å; D160-N162 WeakPolarHBondContact OD1-CA 3.39Å; D160-N162 WeakPolarHBondContact OD1-CB 3.18Å; D160-N162 PolarHBondContact OD1-N 2.98Å; N162-G290 CarbonylContact C-O 3.59Å; N162-G291 WeakPolarHBondContact OD1-CA 3.45Å; N162-M292 PolarHBondContact OD1-N 3.41Å
163	R	97.9	Very high	97.3	Very high	96 Å²	96	42.5 Å²	42.5	36%	0.362	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-131.3	7.3	167.6	-60.1	-64.3	-177.2	-72	0.8	112.3	D160 L161 N289 G290	D160-R163 HydrophobicContact CB-CB 4.34Å; D160-R163 HydrophobicContact CB-CG 4.1Å; D160-R163 PolarHBondContact O-N 2.99Å; L161-R163 PolarHBondContact O-N 2.78Å; R163-N289 VanDerWaalsContact CD-O 3.23Å; R163-N289 WeakPolarHBondContact CD-O 3.5Å; R163-G290 CarbonylContact C-O 3.6Å; R163-G290 VanDerWaalsContact C-O 3.31Å; R163-G290 WeakPolarHBondContact CA-O 3.3Å
164	D	98.5	Very high	97.3	Very high	25 Å²	25	46.2 Å²	46.2	13%	0.134	21%	0.205	C	C	.	.			trans	-109.1	-8.3	-166.2	-170.7	67.9	0	0	0	112.8	V159 L161 A195 Q196 T199 G290	V159-D164 HydrophobicContact CG1-CB 4.11Å; L161-D164 PolarHBondContact O-N 2.99Å; D164-A195 WeakPolarHBondContact OD2-CA 3.31Å; D164-Q196 WeakPolarHBondContact OD2-CB 3.46Å; D164-Q196 WeakPolarHBondContact OD2-CG 3.28Å; D164-Q196 PolarHBondContact OD2-N 2.84Å; D164-T199 HydrophobicContact CB-CG2 4.49Å; D164-T199 WeakPolarHBondContact OD2-CB 3.43Å; D164-T199 PolarHBondContact OD2-OG1 3.31Å; D164-G290 PolarHBondContact N-O 2.9Å
165	F	98.6	Very high	97.2	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.031	21%	0.205	C	C	.	.	S	Bend	trans	-74.6	152.1	171.6	-70.8	-98.8	0	0	0	111	M90 M134 L161 D167 T199 V202 M203 G290 M292 Y295	M90-F165 HydrophobicContact CE-CE2 4.31Å; M134-F165 HydrophobicContact CE-CE2 4.01Å; M134-F165 HydrophobicContact CE-CZ 3.84Å; L161-F165 WeakPolarHBondContact O-CD2 3.37Å; L161-F165 WeakPolarHBondContact O-CE2 3.3Å; F165-D167 PolarHBondContact O-N 2.91Å; F165-T199 HydrophobicContact CD1-CG2 3.78Å; F165-T199 HydrophobicContact CD2-CG2 3.79Å; F165-T199 HydrophobicContact CE1-CG2 3.8Å; F165-T199 HydrophobicContact CE2-CG2 3.8Å; F165-T199 HydrophobicContact CG-CG2 3.77Å; F165-T199 HydrophobicContact CZ-CG2 3.81Å; F165-V202 HydrophobicContact CE1-CB 4.47Å; F165-V202 HydrophobicContact CE1-CG1 4.14Å; F165-V202 HydrophobicContact CZ-CB 4.26Å; F165-V202 HydrophobicContact CZ-CG1 4.01Å; F165-M203 HydrophobicContact CD1-CG 4Å; F165-M203 HydrophobicContact CD1-SD 4.49Å; F165-M203 HydrophobicContact CE1-CG 3.99Å; F165-G290 WeakPolarHBondContact CB-O 3.3Å; F165-G290 PolarHBondContact N-O 3.47Å; F165-G290 VanDerWaalsContact N-O 3.11Å; F165-G290 WeakPolarHBondContact O-CA 3.29Å; F165-M292 HydrophobicContact CD2-CB 3.83Å; F165-M292 HydrophobicContact CD2-CG 4.34Å; F165-M292 HydrophobicContact CE1-CB 4.41Å; F165-M292 HydrophobicContact CE1-CG 3.9Å; F165-M292 HydrophobicContact CE1-SD 4.44Å; F165-M292 HydrophobicContact CE2-CB 3.45Å; F165-M292 VanDerWaalsContact CE2-CB 3.45Å; F165-M292 HydrophobicContact CE2-CG 3.64Å; F165-M292 HydrophobicContact CE2-SD 3.92Å; F165-M292 HydrophobicContact CG-CB 4.46Å; F165-M292 HydrophobicContact CZ-CB 3.78Å; F165-M292 HydrophobicContact CZ-CG 3.38Å; F165-M292 HydrophobicContact CZ-SD 3.53Å; F165-M292 VanDerWaalsContact CZ-SD 3.53Å; F165-Y295 HydrophobicContact CB-CD2 4.27Å; F165-Y295 HydrophobicContact CB-CG 4.2Å; F165-Y295 AromaticContact CD1-CD1 3.69Å; F165-Y295 HydrophobicContact CD1-CD1 3.69Å; F165-Y295 HydrophobicContact CD1-CD2 4.24Å; F165-Y295 HydrophobicContact CD1-CE1 4.21Å; F165-Y295 AromaticContact CD1-CG 3.71Å; F165-Y295 HydrophobicContact CD1-CG 3.71Å; F165-Y295 HydrophobicContact CE1-CD1 4.16Å; F165-Y295 HydrophobicContact CG-CG 4.33Å
166	P	98.5	Very high	96.8	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.039	23%	0.227	C	C	.	.			trans	-53.8	132.5	170.3	-27.5	35.9	0	0	0	112.4	L168 P187 D191 V192 M203 Y295	P166-L168 VanDerWaalsContact C-N 3.27Å; P166-L168 HydrophobicContact CB-CD2 4.5Å; P166-L168 PolarHBondContact O-N 2.83Å; P166-P187 HydrophobicContact CB-CB 3.56Å; P166-P187 HydrophobicContact CG-CB 3.56Å; P166-D191 HydrophobicContact CB-CB 4.09Å; P166-D191 HydrophobicContact CG-CB 4.14Å; P166-V192 HydrophobicContact CG-CG2 4.21Å; P166-M203 VanDerWaalsContact CD-SD 3.57Å; P166-M203 HydrophobicContact CG-SD 3.95Å; P166-Y295 HydrophobicContact CB-CD2 4.3Å; P166-Y295 HydrophobicContact CB-CE2 4.17Å; P166-Y295 HydrophobicContact CG-CD2 4.36Å; P166-Y295 HydrophobicContact CG-CE2 3.93Å
167	D	97.1	Very high	96.6	Very high	38 Å²	38	59.9 Å²	59.9	20%	0.203	26%	0.256	C	S	.	.			trans	-77.1	74.7	-177.8	-175.4	-3.2	0	0	0	111.5	F165 A169 K170 K230	F165-D167 PolarHBondContact O-N 2.91Å; D167-A169 VanDerWaalsContact C-N 3.29Å; D167-A169 PolarHBondContact O-N 3.14Å; D167-K170 HydrophobicContact CB-CB 4.37Å; D167-K170 WeakPolarHBondContact O-CB 3.38Å; D167-K170 PolarHBondContact O-N 3.05Å; D167-K170 WeakPolarHBondContact OD1-CB 3.46Å; D167-K170 PolarHBondContact OD1-N 2.94Å; D167-K170 WeakPolarHBondContact OD2-CB 3.28Å; D167-K230 VanDerWaalsContact OD1-CD 3.3Å; D167-K230 WeakPolarHBondContact OD1-CD 3.24Å; D167-K230 IonicContact OD1-NZ 3.64Å; D167-K230 IonicContact OD2-NZ 3.87Å; D167-K230 PolarHBondContact OD2-NZ 2.87Å
168	L	98.2	Very high	96.5	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-69.6	-26.6	179.6	-63.8	-175.4	0	0	0	112.5	P166 K170 K171 F172 L185 P187 Y295 L298 H299	P166-L168 VanDerWaalsContact C-N 3.27Å; P166-L168 HydrophobicContact CB-CD2 4.5Å; P166-L168 PolarHBondContact O-N 2.83Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 3.05Å; L168-K171 CarbonylContact O-C 3.49Å; L168-K171 WeakPolarHBondContact O-CA 3.37Å; L168-K171 WeakPolarHBondContact O-CB 3.33Å; L168-K171 PolarHBondContact O-N 3.43Å; L168-F172 PolarHBondContact O-N 3.01Å; L168-L185 HydrophobicContact CB-CD1 4.42Å; L168-L185 HydrophobicContact CD1-CB 4.33Å; L168-L185 HydrophobicContact CD2-CB 4.15Å; L168-P187 HydrophobicContact CD2-CB 4.3Å; L168-Y295 HydrophobicContact CD1-CD2 3.58Å; L168-Y295 HydrophobicContact CD1-CE2 3.83Å; L168-Y295 HydrophobicContact CD1-CG 4.34Å; L168-Y295 HydrophobicContact CG-CD2 3.98Å; L168-Y295 HydrophobicContact CG-CE2 4.38Å; L168-L298 VanDerWaalsContact C-CD1 3.47Å; L168-L298 HydrophobicContact CB-CB 3.84Å; L168-L298 HydrophobicContact CB-CD1 3.9Å; L168-L298 HydrophobicContact CD1-CB 4.17Å; L168-H299 HydrophobicContact CD1-CB 3.56Å
169	A	96.6	Very high	96.2	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-37.2	175.6	0	0	0	0	0	111.4	D167 K171 F172 Y173 K230 D294 L298	D167-A169 VanDerWaalsContact C-N 3.29Å; D167-A169 PolarHBondContact O-N 3.14Å; A169-K171 VanDerWaalsContact C-N 3.32Å; A169-K171 PolarHBondContact O-N 3.38Å; A169-F172 WeakPolarHBondContact O-CB 3.39Å; A169-F172 PolarHBondContact O-N 3.15Å; A169-Y173 HydrophobicContact CB-CE2 4.24Å; A169-Y173 WeakPolarHBondContact O-CD2 3.16Å; A169-Y173 PolarHBondContact O-N 2.86Å; A169-K230 HydrophobicContact CB-CB 3.68Å; A169-K230 HydrophobicContact CB-CD 3.58Å; A169-K230 HydrophobicContact CB-CG 4.24Å; A169-D294 HydrophobicContact CB-CB 4.48Å; A169-L298 VanDerWaalsContact CA-CD1 3.46Å; A169-L298 HydrophobicContact CB-CD1 3.98Å; A169-L298 VanDerWaalsContact N-CD1 3.34Å
170	K	95.8	Very high	96	Very high	136 Å²	136	52.5 Å²	52.5	59%	0.591	26%	0.261	S	S	*	.	H	α-helix	trans	-59.5	-40.9	169.2	-177.6	-177.8	178	-175.4	0	112.4	D167 L168 R174	D167-K170 HydrophobicContact CB-CB 4.37Å; D167-K170 WeakPolarHBondContact O-CB 3.38Å; D167-K170 PolarHBondContact O-N 3.05Å; D167-K170 WeakPolarHBondContact OD1-CB 3.46Å; D167-K170 PolarHBondContact OD1-N 2.94Å; D167-K170 WeakPolarHBondContact OD2-CB 3.28Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 3.05Å; K170-R174 PolarHBondContact O-N 2.68Å
171	K	96.3	Very high	95.8	Very high	40 Å²	40	54.8 Å²	54.8	17%	0.174	28%	0.278	C	S	.	.	H	α-helix	trans	-67.8	-41.6	177.1	-172.3	163.1	-171.2	167	0	111.1	L168 A169 R174 N175 L185 Q186 D188	L168-K171 CarbonylContact O-C 3.49Å; L168-K171 WeakPolarHBondContact O-CA 3.37Å; L168-K171 WeakPolarHBondContact O-CB 3.33Å; L168-K171 PolarHBondContact O-N 3.43Å; A169-K171 VanDerWaalsContact C-N 3.32Å; A169-K171 PolarHBondContact O-N 3.38Å; K171-R174 PolarHBondContact O-N 3.37Å; K171-N175 WeakPolarHBondContact O-CB 3.48Å; K171-N175 VanDerWaalsContact O-CG 3.23Å; K171-N175 PolarHBondContact O-N 2.99Å; K171-N175 PolarHBondContact O-OD1 3.42Å; K171-L185 HydrophobicContact CB-CD1 4.24Å; K171-L185 HydrophobicContact CG-CD1 4.32Å; K171-Q186 PolarHBondContact NZ-O 2.73Å; K171-D188 IonicContact NZ-OD1 2.8Å; K171-D188 PolarHBondContact NZ-OD1 2.65Å
172	F	96.3	Very high	95.7	Very high	9 Å²	9	56.1 Å²	56.1	4%	0.039	29%	0.285	C	S	.	.	H	α-helix	trans	-55.7	-54.1	173.6	175.6	-94.5	0	0	0	111.6	L168 A169 R174 N175 L176 L182 L185 F228 P242 L298	L168-F172 PolarHBondContact O-N 3.01Å; A169-F172 WeakPolarHBondContact O-CB 3.39Å; A169-F172 PolarHBondContact O-N 3.15Å; F172-R174 VanDerWaalsContact C-N 3.3Å; F172-R174 PolarHBondContact O-N 3.45Å; F172-N175 PolarHBondContact O-N 3.45Å; F172-N175 VanDerWaalsContact O-N 3.09Å; F172-L176 HydrophobicContact CE1-CD2 4.24Å; F172-L176 WeakPolarHBondContact O-CB 3.11Å; F172-L176 PolarHBondContact O-N 2.82Å; F172-L182 HydrophobicContact CD2-CB 4.22Å; F172-L182 HydrophobicContact CD2-CD2 4.06Å; F172-L182 VanDerWaalsContact CD2-O 3.32Å; F172-L182 WeakPolarHBondContact CD2-O 3.23Å; F172-L182 HydrophobicContact CE2-CB 3.91Å; F172-L182 HydrophobicContact CE2-CD2 3.97Å; F172-L182 HydrophobicContact CE2-CG 4.4Å; F172-L185 HydrophobicContact CB-CD1 3.88Å; F172-F228 HydrophobicContact CD1-CE2 4.17Å; F172-F228 HydrophobicContact CD1-CZ 4.28Å; F172-F228 AromaticContact CE1-CE2 3.86Å; F172-F228 HydrophobicContact CE1-CE2 3.86Å; F172-F228 HydrophobicContact CE1-CZ 4.24Å; F172-F228 HydrophobicContact CG-CZ 4.48Å; F172-F228 HydrophobicContact CZ-CE2 4.22Å; F172-F228 HydrophobicContact CZ-CZ 4.38Å; F172-P242 HydrophobicContact CE2-CG 4.32Å; F172-P242 HydrophobicContact CZ-CG 4.18Å; F172-L298 HydrophobicContact CB-CD1 4.07Å; F172-L298 HydrophobicContact CB-CD2 4.07Å; F172-L298 HydrophobicContact CD2-CD2 3.66Å; F172-L298 HydrophobicContact CE2-CD2 4.37Å; F172-L298 HydrophobicContact CG-CD2 4.02Å
173	Y	95.1	Very high	95.7	Very high	27 Å²	27	56.7 Å²	56.7	11%	0.106	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-35.4	-179.2	-61.9	-46.8	0	0	0	113.4	A169 R177 K230 I232 S239	A169-Y173 HydrophobicContact CB-CE2 4.24Å; A169-Y173 WeakPolarHBondContact O-CD2 3.16Å; A169-Y173 PolarHBondContact O-N 2.86Å; Y173-R177 PolarHBondContact O-N 3.43Å; Y173-K230 HydrophobicContact CD2-CD 4.47Å; Y173-K230 HydrophobicContact CE2-CB 4.49Å; Y173-K230 HydrophobicContact CE2-CD 4.09Å; Y173-K230 HydrophobicContact CE2-CG 4.24Å; Y173-K230 PolarHBondContact OH-O 2.76Å; Y173-I232 HydrophobicContact CD1-CD1 4.06Å; Y173-I232 HydrophobicContact CD1-CG1 3.48Å; Y173-I232 VanDerWaalsContact CD1-CG1 3.48Å; Y173-I232 HydrophobicContact CD2-CG1 4.08Å; Y173-I232 HydrophobicContact CE1-CD1 4.25Å; Y173-I232 HydrophobicContact CE1-CG1 3.58Å; Y173-I232 HydrophobicContact CE2-CG1 4.16Å; Y173-I232 HydrophobicContact CG-CG1 3.78Å; Y173-S239 PolarHBondContact OH-OG 2.88Å
174	R	95.1	Very high	95.7	Very high	122 Å²	122	53.8 Å²	53.8	46%	0.46	28%	0.278	S	S	.	.	H	α-helix	trans	-63.5	-45.9	172.9	171.3	178.9	50	-177.5	-11.3	111.4	K170 K171 F172 R177 N178	K170-R174 PolarHBondContact O-N 2.68Å; K171-R174 PolarHBondContact O-N 3.37Å; F172-R174 VanDerWaalsContact C-N 3.3Å; F172-R174 PolarHBondContact O-N 3.45Å; R174-R177 PolarHBondContact O-N 3.32Å; R174-N178 WeakPolarHBondContact O-CB 3.02Å; R174-N178 PolarHBondContact O-N 3.13Å
175	N	95.6	Very high	95.7	Very high	21 Å²	21	52.7 Å²	52.7	11%	0.112	27%	0.272	C	S	.	.	H	α-helix	trans	-70.1	-35.1	-179.5	-68.7	2.9	0	0	0	111.9	K171 F172 R177 N178 G179 P181 L182	K171-N175 WeakPolarHBondContact O-CB 3.48Å; K171-N175 VanDerWaalsContact O-CG 3.23Å; K171-N175 PolarHBondContact O-N 2.99Å; K171-N175 PolarHBondContact O-OD1 3.42Å; F172-N175 PolarHBondContact O-N 3.45Å; F172-N175 VanDerWaalsContact O-N 3.09Å; N175-R177 VanDerWaalsContact C-N 3.25Å; N175-R177 PolarHBondContact O-N 3.11Å; N175-N178 PolarHBondContact O-N 3.02Å; N175-G179 CarbonylContact O-C 3.52Å; N175-G179 WeakPolarHBondContact O-CA 3.22Å; N175-G179 PolarHBondContact O-N 2.96Å; N175-P181 VanDerWaalsContact CB-O 3.32Å; N175-P181 WeakPolarHBondContact CB-O 3.27Å; N175-P181 PolarHBondContact ND2-O 3.31Å; N175-L182 HydrophobicContact CB-CD2 4.1Å
176	L	91.5	Very high	95.6	Very high	92 Å²	92	58 Å²	58	48%	0.482	30%	0.297	S	S	.	.	H	α-helix	trans	-59.7	-38.1	173.9	-172.8	65.5	0	0	0	111.7	F172 L182	F172-L176 HydrophobicContact CE1-CD2 4.24Å; F172-L176 WeakPolarHBondContact O-CB 3.11Å; F172-L176 PolarHBondContact O-N 2.82Å; L176-L182 HydrophobicContact CB-CD2 4.14Å; L176-L182 HydrophobicContact CD1-CD1 4.16Å; L176-L182 HydrophobicContact CD1-CD2 4.29Å
177	R	91.9	Very high	95.6	Very high	218 Å²	218	58.9 Å²	58.9	82%	0.823	30%	0.303	S	S	*	.	H	α-helix	trans	-80	-42.8	178	-175	-178.1	175.6	-174.9	-1.3	113.4	Y173 R174 N175	Y173-R177 PolarHBondContact O-N 3.43Å; R174-R177 PolarHBondContact O-N 3.32Å; N175-R177 VanDerWaalsContact C-N 3.25Å; N175-R177 PolarHBondContact O-N 3.11Å
178	N	94.3	Very high	95.6	Very high	119 Å²	119	60.8 Å²	60.8	64%	0.636	31%	0.313	S	S	*	.	H	α-helix	trans	-101.7	-3.8	-167.7	-62.8	-12.9	0	0	0	113.7	R174 N175	R174-N178 WeakPolarHBondContact O-CB 3.02Å; R174-N178 PolarHBondContact O-N 3.13Å; N175-N178 PolarHBondContact O-N 3.02Å
179	G	90.6	Very high	95.5	Very high	53 Å²	53	67.6 Å²	67.6	55%	0.546	35%	0.345	S	S	.	.			trans	81.9	150.9	-164.3	0	0	0	0	0	112	N175	N175-G179 CarbonylContact O-C 3.52Å; N175-G179 WeakPolarHBondContact O-CA 3.22Å; N175-G179 PolarHBondContact O-N 2.96Å
180	G	93.1	Very high	95.5	Very high	49 Å²	49	72.6 Å²	72.6	51%	0.505	37%	0.37	S	S	.	.			trans	144	177.6	-179	0	0	0	0	0	111.9
181	P	95	Very high	95.6	Very high	82 Å²	82	69.1 Å²	69.1	53%	0.532	36%	0.359	S	S	.	.			trans	-63.1	147.8	173.1	27.5	-33.6	0	0	0	110.5	N175 L185	N175-P181 VanDerWaalsContact CB-O 3.32Å; N175-P181 WeakPolarHBondContact CB-O 3.27Å; N175-P181 PolarHBondContact ND2-O 3.31Å; P181-L185 HydrophobicContact CB-CD2 4.09Å; P181-L185 HydrophobicContact CG-CD2 4Å; P181-L185 VanDerWaalsContact O-CD2 3.24Å; P181-L185 WeakPolarHBondContact O-CD2 3.39Å
182	L	95.7	Very high	95.7	Very high	27 Å²	27	69.3 Å²	69.3	14%	0.141	36%	0.363	C	S	.	.	S	Bend	trans	-117.3	-8	179.5	-64.5	-179.2	0	0	0	112.9	F172 N175 L176 L377	F172-L182 HydrophobicContact CD2-CB 4.22Å; F172-L182 HydrophobicContact CD2-CD2 4.06Å; F172-L182 VanDerWaalsContact CD2-O 3.32Å; F172-L182 WeakPolarHBondContact CD2-O 3.23Å; F172-L182 HydrophobicContact CE2-CB 3.91Å; F172-L182 HydrophobicContact CE2-CD2 3.97Å; F172-L182 HydrophobicContact CE2-CG 4.4Å; N175-L182 HydrophobicContact CB-CD2 4.1Å; L176-L182 HydrophobicContact CB-CD2 4.14Å; L176-L182 HydrophobicContact CD1-CD1 4.16Å; L176-L182 HydrophobicContact CD1-CD2 4.29Å; L182-L377 HydrophobicContact CD1-CB 4.01Å; L182-L377 HydrophobicContact CD1-CD1 4.11Å
183	D	97.2	Very high	95.7	Very high	18 Å²	18	75 Å²	75	10%	0.096	39%	0.39	C	S	.	.	S	Bend	trans	-135.1	166.2	176	58	78.5	0	0	0	108.8	L185 H378 N379	D183-L185 PolarHBondContact O-N 2.91Å; D183-L185 VanDerWaalsContact O-N 3.1Å; D183-H378 HydrophobicContact CB-CB 4.47Å; D183-H378 WeakPolarHBondContact CB-ND1 3.32Å; D183-N379 PolarHBondContact OD2-N 2.75Å; D183-N379 PolarHBondContact OD2-ND2 3.12Å
184	H	98.1	Very high	95.8	Very high	34 Å²	34	80.5 Å²	80.5	16%	0.157	41%	0.414	C	S	.	.	S	Bend	trans	50.2	37.4	-178.6	-59.9	85.6	0	0	0	113.7	Q186 L298 H299 N301 N379 N381	H184-Q186 PolarHBondContact O-N 3.11Å; H184-Q186 PolarHBondContact O-NE2 3.39Å; H184-L298 CarbonylContact C-O 3.51Å; H184-L298 WeakPolarHBondContact CA-O 3.44Å; H184-L298 PolarHBondContact N-O 3.39Å; H184-H299 WeakPolarHBondContact CA-O 3.39Å; H184-N301 PolarHBondContact CE1-OD1 2.66Å; H184-N301 VanDerWaalsContact CE1-OD1 3.29Å; H184-N301 PolarHBondContact NE2-OD1 2.78Å; H184-N379 PolarHBondContact CE1-O 3.37Å; H184-N379 VanDerWaalsContact CE1-O 3.29Å; H184-N381 PolarHBondContact CD2-ND2 3.44Å
185	L	98.3	Very high	95.9	Very high	2 Å²	2	75.1 Å²	75.1	1%	0.01	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-65.5	124.5	-178.1	-58.9	-175.1	0	0	0	109.7	L168 K171 F172 P181 D183 L298 H299	L168-L185 HydrophobicContact CB-CD1 4.42Å; L168-L185 HydrophobicContact CD1-CB 4.33Å; L168-L185 HydrophobicContact CD2-CB 4.15Å; K171-L185 HydrophobicContact CB-CD1 4.24Å; K171-L185 HydrophobicContact CG-CD1 4.32Å; F172-L185 HydrophobicContact CB-CD1 3.88Å; P181-L185 HydrophobicContact CB-CD2 4.09Å; P181-L185 HydrophobicContact CG-CD2 4Å; P181-L185 VanDerWaalsContact O-CD2 3.24Å; P181-L185 WeakPolarHBondContact O-CD2 3.39Å; D183-L185 PolarHBondContact O-N 2.91Å; D183-L185 VanDerWaalsContact O-N 3.1Å; L185-L298 HydrophobicContact CD1-CB 4.28Å; L185-L298 HydrophobicContact CD1-CD2 4.32Å; L185-L298 PolarHBondContact N-O 3.34Å; L185-H299 PolarHBondContact O-ND1 3.24Å
186	Q	97.6	Very high	96	Very high	118 Å²	118	75.4 Å²	75.4	55%	0.551	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-77.7	131.2	176.8	-58.8	-55.2	-53	0	0	110.2	K171 H184	K171-Q186 PolarHBondContact NZ-O 2.73Å; H184-Q186 PolarHBondContact O-N 3.11Å; H184-Q186 PolarHBondContact O-NE2 3.39Å
187	P	97.8	Very high	96.4	Very high	25 Å²	25	72.8 Å²	72.8	16%	0.162	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-66.9	152.3	171.7	30.9	-36.2	0	0	0	110.4	P166 L168 V192 Y295 H299	P166-P187 HydrophobicContact CB-CB 3.56Å; P166-P187 HydrophobicContact CG-CB 3.56Å; L168-P187 HydrophobicContact CD2-CB 4.3Å; P187-V192 HydrophobicContact CB-CG2 3.71Å; P187-V192 HydrophobicContact CG-CG2 3.6Å; P187-Y295 HydrophobicContact CB-CE2 4.37Å; P187-Y295 HydrophobicContact CG-CE2 4.44Å; P187-H299 WeakPolarHBondContact CD-CE1 3.49Å
188	D	96.7	Very high	96.7	Very high	78 Å²	78	62.5 Å²	62.5	42%	0.417	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-76.3	134.7	174	-60.4	-15.9	0	0	0	108.1	K171 I190 D191 V192	K171-D188 IonicContact NZ-OD1 2.8Å; K171-D188 PolarHBondContact NZ-OD1 2.65Å; D188-I190 PolarHBondContact O-N 2.91Å; D188-I190 VanDerWaalsContact O-N 3.11Å; D188-D191 WeakPolarHBondContact O-CB 3.37Å; D188-D191 PolarHBondContact O-N 3.45Å; D188-V192 PolarHBondContact O-N 3.49Å
189	E	96.7	Very high	96.9	Very high	149 Å²	149	56.8 Å²	56.8	70%	0.696	31%	0.313	S	S	*	.	H	α-helix	trans	-53.1	-38.6	-172.8	-175.5	174.8	-163	0	0	112.8	D191 V192 E193	E189-D191 VanDerWaalsContact C-N 3.29Å; E189-D191 PolarHBondContact O-N 3.31Å; E189-V192 WeakPolarHBondContact O-CB 3.22Å; E189-V192 PolarHBondContact O-N 3.38Å; E189-V192 VanDerWaalsContact O-N 3.16Å; E189-E193 WeakPolarHBondContact O-CG 3.32Å; E189-E193 PolarHBondContact O-N 3.33Å
190	I	97.5	Very high	97.3	Very high	105 Å²	105	58.1 Å²	58.1	54%	0.538	30%	0.302	S	S	.	.	H	α-helix	trans	-60.2	-36.8	177.5	-64.5	169.6	0	0	0	112.1	D188 K194	D188-I190 PolarHBondContact O-N 2.91Å; D188-I190 VanDerWaalsContact O-N 3.11Å; I190-K194 HydrophobicContact CG2-CD 4.21Å; I190-K194 WeakPolarHBondContact O-CD 3.44Å; I190-K194 VanDerWaalsContact O-CG 3.26Å; I190-K194 WeakPolarHBondContact O-CG 3.43Å; I190-K194 PolarHBondContact O-N 2.86Å
191	D	97.4	Very high	97.6	Very high	64 Å²	64	55.9 Å²	55.9	34%	0.342	28%	0.278	S	S	.	.	H	α-helix	trans	-74.2	-36.5	179.4	-67	-24.1	0	0	0	110.3	P166 D188 E189 K194 A195	P166-D191 HydrophobicContact CB-CB 4.09Å; P166-D191 HydrophobicContact CG-CB 4.14Å; D188-D191 WeakPolarHBondContact O-CB 3.37Å; D188-D191 PolarHBondContact O-N 3.45Å; E189-D191 VanDerWaalsContact C-N 3.29Å; E189-D191 PolarHBondContact O-N 3.31Å; D191-K194 PolarHBondContact O-N 3.16Å; D191-A195 PolarHBondContact O-N 2.7Å
192	V	97.8	Very high	97.7	Very high	43 Å²	43	52 Å²	52	26%	0.261	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-42.1	174.4	179.5	0	0	0	0	111.7	P166 P187 D188 E189 K194 A195 M203	P166-V192 HydrophobicContact CG-CG2 4.21Å; P187-V192 HydrophobicContact CB-CG2 3.71Å; P187-V192 HydrophobicContact CG-CG2 3.6Å; D188-V192 PolarHBondContact O-N 3.49Å; E189-V192 WeakPolarHBondContact O-CB 3.22Å; E189-V192 PolarHBondContact O-N 3.38Å; E189-V192 VanDerWaalsContact O-N 3.16Å; V192-K194 VanDerWaalsContact C-N 3.32Å; V192-K194 PolarHBondContact O-N 2.95Å; V192-A195 PolarHBondContact O-N 3.21Å; V192-M203 HydrophobicContact CB-CE 4.46Å; V192-M203 HydrophobicContact CG1-CE 3.89Å
193	E	96.2	Very high	97.9	Very high	129 Å²	129	51 Å²	51	60%	0.603	25%	0.248	S	C	*	.	H	α-helix	trans	-66.7	-32.2	179.5	-74.3	-174.1	156.1	0	0	113.3	E189	E189-E193 WeakPolarHBondContact O-CG 3.32Å; E189-E193 PolarHBondContact O-N 3.33Å
194	K	97	Very high	97.9	Very high	142 Å²	142	52.4 Å²	52.4	62%	0.617	25%	0.254	S	S	*	.	H	α-helix	trans	-76.8	-25	178.9	-75.2	171.4	-175.1	168.4	0	113.5	I190 D191 V192	I190-K194 HydrophobicContact CG2-CD 4.21Å; I190-K194 WeakPolarHBondContact O-CD 3.44Å; I190-K194 VanDerWaalsContact O-CG 3.26Å; I190-K194 WeakPolarHBondContact O-CG 3.43Å; I190-K194 PolarHBondContact O-N 2.86Å; D191-K194 PolarHBondContact O-N 3.16Å; V192-K194 VanDerWaalsContact C-N 3.32Å; V192-K194 PolarHBondContact O-N 2.95Å
195	A	98.3	Very high	98	Very high	9 Å²	9	51.1 Å²	51.1	7%	0.074	25%	0.247	C	C	.	.	S	Bend	trans	-60.6	146.6	-178.1	0	0	0	0	0	111.8	D164 D191 V192 T199 R200 M203	D164-A195 WeakPolarHBondContact OD2-CA 3.31Å; D191-A195 PolarHBondContact O-N 2.7Å; V192-A195 PolarHBondContact O-N 3.21Å; A195-T199 HydrophobicContact CB-CG2 3.98Å; A195-R200 HydrophobicContact CB-CG 3.97Å; A195-M203 HydrophobicContact CB-CE 3.81Å
196	Q	98.3	Very high	98	Very high	28 Å²	28	51.4 Å²	51.4	13%	0.131	25%	0.249	C	C	.	.			trans	-60	158.4	173.4	-57.8	-52.6	-71.6	0	0	111.4	N155 V159 L161 D164 E198 T199 R200	N155-Q196 WeakPolarHBondContact ND2-CG 3.49Å; N155-Q196 PolarHBondContact ND2-OE1 3.31Å; N155-Q196 VanDerWaalsContact ND2-OE1 3.08Å; V159-Q196 HydrophobicContact CB-CG 3.74Å; V159-Q196 HydrophobicContact CG1-CG 3.72Å; V159-Q196 HydrophobicContact CG2-CG 4.09Å; L161-Q196 HydrophobicContact CD2-CB 3.75Å; L161-Q196 HydrophobicContact CD2-CG 3.82Å; D164-Q196 WeakPolarHBondContact OD2-CB 3.46Å; D164-Q196 WeakPolarHBondContact OD2-CG 3.28Å; D164-Q196 PolarHBondContact OD2-N 2.84Å; Q196-E198 VanDerWaalsContact C-N 3.27Å; Q196-E198 WeakPolarHBondContact CB-OE2 3.38Å; Q196-E198 PolarHBondContact O-N 3.38Å; Q196-T199 WeakPolarHBondContact O-CB 3.32Å; Q196-T199 PolarHBondContact O-N 3.46Å; Q196-R200 WeakPolarHBondContact O-CG 3.13Å; Q196-R200 PolarHBondContact O-N 2.79Å
197	I	98.3	Very high	98	Very high	37 Å²	37	50.5 Å²	50.5	19%	0.19	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-36.7	-175.8	-164.3	74.4	0	0	0	111.6	T53 T56 R200 M201	T53-I197 HydrophobicContact CG2-CD1 3.22Å; T53-I197 HydrophobicContact CG2-CG1 3.89Å; T56-I197 HydrophobicContact CG2-CD1 3.64Å; T56-I197 HydrophobicContact CG2-CG1 3.78Å; I197-R200 PolarHBondContact O-N 3.42Å; I197-M201 HydrophobicContact CG1-CE 4.08Å; I197-M201 WeakPolarHBondContact O-CB 3.24Å; I197-M201 VanDerWaalsContact O-CG 3.28Å; I197-M201 WeakPolarHBondContact O-CG 3.39Å; I197-M201 PolarHBondContact O-N 2.99Å
198	E	98.7	Very high	97.9	Very high	1 Å²	1	55 Å²	55	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-47.4	176	-61.3	82.7	-179.6	0	0	111.2	T59 L65 M134 N155 L161 Q196 R200 M201 V202	T59-E198 WeakPolarHBondContact CB-OE1 3.38Å; T59-E198 HydrophobicContact CG2-CG 3.99Å; L65-E198 HydrophobicContact CD1-CB 4.4Å; M134-E198 HydrophobicContact CE-CB 4.44Å; M134-E198 HydrophobicContact CG-CB 4.5Å; M134-E198 WeakPolarHBondContact O-CG 3.32Å; N155-E198 PolarHBondContact ND2-OE2 3.37Å; N155-E198 VanDerWaalsContact ND2-OE2 3.1Å; L161-E198 HydrophobicContact CD1-CB 3.77Å; L161-E198 HydrophobicContact CD1-CG 4.21Å; L161-E198 HydrophobicContact CD2-CB 4.33Å; Q196-E198 VanDerWaalsContact C-N 3.27Å; Q196-E198 WeakPolarHBondContact CB-OE2 3.38Å; Q196-E198 PolarHBondContact O-N 3.38Å; E198-R200 PolarHBondContact O-N 3Å; E198-M201 WeakPolarHBondContact O-CB 3.33Å; E198-M201 PolarHBondContact O-N 2.98Å; E198-V202 PolarHBondContact O-N 3.33Å; E198-V202 VanDerWaalsContact O-N 3.13Å
199	T	98.7	Very high	98	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-46.5	176.2	-53.2	0	0	0	0	111.1	D164 F165 A195 Q196 M201 V202 M203	D164-T199 HydrophobicContact CB-CG2 4.49Å; D164-T199 WeakPolarHBondContact OD2-CB 3.43Å; D164-T199 PolarHBondContact OD2-OG1 3.31Å; F165-T199 HydrophobicContact CD1-CG2 3.78Å; F165-T199 HydrophobicContact CD2-CG2 3.79Å; F165-T199 HydrophobicContact CE1-CG2 3.8Å; F165-T199 HydrophobicContact CE2-CG2 3.8Å; F165-T199 HydrophobicContact CG-CG2 3.77Å; F165-T199 HydrophobicContact CZ-CG2 3.81Å; A195-T199 HydrophobicContact CB-CG2 3.98Å; Q196-T199 WeakPolarHBondContact O-CB 3.32Å; Q196-T199 PolarHBondContact O-N 3.46Å; T199-M201 PolarHBondContact O-N 3.26Å; T199-V202 PolarHBondContact O-N 3.3Å; T199-V202 VanDerWaalsContact O-N 3.11Å; T199-M203 HydrophobicContact CG2-CE 4.26Å; T199-M203 WeakPolarHBondContact O-CG 3.45Å; T199-M203 PolarHBondContact O-N 2.82Å
200	R	98.6	Very high	98.1	Very high	81 Å²	81	47.2 Å²	47.2	31%	0.306	23%	0.228	S	C	.	.	H	α-helix	trans	-63.9	-37.7	177.9	-71.4	178	53.5	175.3	-0	113.6	T53 A195 Q196 I197 E198 V202 M203 E204	T53-R200 HydrophobicContact CG2-CB 3.95Å; T53-R200 PolarHBondContact OG1-NE 2.89Å; T53-R200 PolarHBondContact OG1-NH2 3.45Å; A195-R200 HydrophobicContact CB-CG 3.97Å; Q196-R200 WeakPolarHBondContact O-CG 3.13Å; Q196-R200 PolarHBondContact O-N 2.79Å; I197-R200 PolarHBondContact O-N 3.42Å; E198-R200 PolarHBondContact O-N 3Å; R200-V202 VanDerWaalsContact C-N 3.27Å; R200-V202 PolarHBondContact O-N 3.21Å; R200-M203 HydrophobicContact CB-CE 4.16Å; R200-M203 HydrophobicContact CG-CE 3.6Å; R200-M203 PolarHBondContact O-N 3.4Å; R200-E204 PolarHBondContact O-N 2.89Å
201	M	98.8	Very high	98.1	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-38.3	172.9	-77.1	179.4	178.3	0	0	111.6	L51 T53 T56 L65 I197 E198 T199 W205	L51-M201 HydrophobicContact CB-CB 3.91Å; L51-M201 HydrophobicContact CB-CG 4.36Å; L51-M201 HydrophobicContact CB-SD 4.42Å; L51-M201 HydrophobicContact CD1-CB 4.44Å; T53-M201 HydrophobicContact CG2-CG 3.85Å; T56-M201 HydrophobicContact CG2-CE 4.35Å; L65-M201 HydrophobicContact CB-SD 4.49Å; L65-M201 HydrophobicContact CD1-CB 4.14Å; L65-M201 HydrophobicContact CD1-SD 3.91Å; L65-M201 HydrophobicContact CG-SD 3.91Å; I197-M201 HydrophobicContact CG1-CE 4.08Å; I197-M201 WeakPolarHBondContact O-CB 3.24Å; I197-M201 VanDerWaalsContact O-CG 3.28Å; I197-M201 WeakPolarHBondContact O-CG 3.39Å; I197-M201 PolarHBondContact O-N 2.99Å; E198-M201 WeakPolarHBondContact O-CB 3.33Å; E198-M201 PolarHBondContact O-N 2.98Å; T199-M201 PolarHBondContact O-N 3.26Å; M201-W205 VanDerWaalsContact O-CB 3.29Å; M201-W205 WeakPolarHBondContact O-CB 3.22Å; M201-W205 PolarHBondContact O-N 3.3Å; M201-W205 VanDerWaalsContact O-N 3.11Å
202	V	98.8	Very high	98.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-73.6	-40.3	176.1	174.3	0	0	0	0	112	L51 I87 L131 M134 F165 E198 T199 R200 W205 L206 M292	L51-V202 HydrophobicContact CD1-CG2 4.23Å; I87-V202 HydrophobicContact CD1-CG1 4.46Å; I87-V202 HydrophobicContact CD1-CG2 3.93Å; L131-V202 HydrophobicContact CD2-CG2 4.47Å; M134-V202 HydrophobicContact CE-CB 4.12Å; M134-V202 HydrophobicContact CE-CG2 3.66Å; M134-V202 HydrophobicContact CG-CG2 4.03Å; M134-V202 HydrophobicContact SD-CG2 3.88Å; F165-V202 HydrophobicContact CE1-CB 4.47Å; F165-V202 HydrophobicContact CE1-CG1 4.14Å; F165-V202 HydrophobicContact CZ-CB 4.26Å; F165-V202 HydrophobicContact CZ-CG1 4.01Å; E198-V202 PolarHBondContact O-N 3.33Å; E198-V202 VanDerWaalsContact O-N 3.13Å; T199-V202 PolarHBondContact O-N 3.3Å; T199-V202 VanDerWaalsContact O-N 3.11Å; R200-V202 VanDerWaalsContact C-N 3.27Å; R200-V202 PolarHBondContact O-N 3.21Å; V202-W205 WeakPolarHBondContact O-CB 3.49Å; V202-W205 PolarHBondContact O-N 3.42Å; V202-W205 VanDerWaalsContact O-N 3.13Å; V202-L206 HydrophobicContact CG1-CD1 4.21Å; V202-L206 HydrophobicContact CG1-CD2 4.2Å; V202-L206 PolarHBondContact O-N 2.83Å; V202-M292 HydrophobicContact CG1-SD 3.97Å
203	M	98.7	Very high	98.3	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.03	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-51.1	174	-68.3	-171	-68.5	0	0	111.3	F165 P166 V192 A195 T199 R200 W205 L206 D207 Y295	F165-M203 HydrophobicContact CD1-CG 4Å; F165-M203 HydrophobicContact CD1-SD 4.49Å; F165-M203 HydrophobicContact CE1-CG 3.99Å; P166-M203 VanDerWaalsContact CD-SD 3.57Å; P166-M203 HydrophobicContact CG-SD 3.95Å; V192-M203 HydrophobicContact CB-CE 4.46Å; V192-M203 HydrophobicContact CG1-CE 3.89Å; A195-M203 HydrophobicContact CB-CE 3.81Å; T199-M203 HydrophobicContact CG2-CE 4.26Å; T199-M203 WeakPolarHBondContact O-CG 3.45Å; T199-M203 PolarHBondContact O-N 2.82Å; R200-M203 HydrophobicContact CB-CE 4.16Å; R200-M203 HydrophobicContact CG-CE 3.6Å; R200-M203 PolarHBondContact O-N 3.4Å; M203-W205 PolarHBondContact O-N 3.06Å; M203-L206 WeakPolarHBondContact O-CB 3.47Å; M203-L206 PolarHBondContact O-N 3.45Å; M203-L206 VanDerWaalsContact O-N 3.14Å; M203-D207 PolarHBondContact O-N 3.03Å; M203-Y295 HydrophobicContact CB-CE1 4.4Å; M203-Y295 HydrophobicContact CG-CE1 3.79Å; M203-Y295 HydrophobicContact CG-CE2 4.45Å; M203-Y295 WeakPolarHBondContact CG-OH 3.47Å; M203-Y295 HydrophobicContact SD-CE1 4.48Å; M203-Y295 HydrophobicContact SD-CE2 4.1Å
204	E	98.3	Very high	98.4	Very high	48 Å²	48	31.2 Å²	31.2	22%	0.224	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-26.1	176.3	-80.5	-167.2	-144.3	0	0	113.3	T53 G54 R200 K208	T53-E204 VanDerWaalsContact CA-CD 3.45Å; T53-E204 WeakPolarHBondContact CA-OE1 3.36Å; T53-E204 WeakPolarHBondContact CA-OE2 3.47Å; T53-E204 WeakPolarHBondContact CB-OE1 3.11Å; T53-E204 PolarHBondContact OG1-OE1 2.77Å; G54-E204 PolarHBondContact N-OE1 2.97Å; R200-E204 PolarHBondContact O-N 2.89Å; E204-K208 WeakPolarHBondContact O-CB 3.42Å; E204-K208 VanDerWaalsContact O-CD 3.27Å; E204-K208 WeakPolarHBondContact O-CD 3.39Å; E204-K208 WeakPolarHBondContact O-CG 3.46Å; E204-K208 PolarHBondContact O-N 3.37Å; E204-K208 IonicContact OE2-NZ 2.68Å; E204-K208 PolarHBondContact OE2-NZ 2.95Å
205	W	98.7	Very high	98.5	Very high	7 Å²	7	24.5 Å²	24.5	3%	0.027	12%	0.116	C	C	.	.	H	α-helix	trans	-71.7	-41.3	175.4	-178.1	31.4	0	0	0	111.7	Y49 L51 V67 K85 H129 L131 M201 V202 M203 D207 K208 I209 F211	Y49-W205 AromaticContact CZ-NE1 4Å; Y49-W205 PolarHBondContact OH-NE1 2.96Å; L51-W205 HydrophobicContact CD1-CB 4.22Å; L51-W205 HydrophobicContact CD1-CD2 4.1Å; L51-W205 HydrophobicContact CD1-CE3 3.86Å; L51-W205 HydrophobicContact CD1-CG 4.29Å; L51-W205 HydrophobicContact CD2-CB 3.93Å; L51-W205 HydrophobicContact CD2-CD2 3.79Å; L51-W205 HydrophobicContact CD2-CE3 4.37Å; L51-W205 HydrophobicContact CD2-CG 3.57Å; V67-W205 HydrophobicContact CG1-CZ2 4.19Å; V67-W205 HydrophobicContact CG2-CZ2 4.44Å; K85-W205 HydrophobicContact CB-CH2 3.88Å; K85-W205 HydrophobicContact CB-CZ2 4.32Å; K85-W205 HydrophobicContact CD-CH2 3.97Å; K85-W205 HydrophobicContact CD-CZ3 3.96Å; H129-W205 HydrophobicContact CB-CH2 4.3Å; H129-W205 HydrophobicContact CB-CZ2 3.68Å; L131-W205 HydrophobicContact CB-CH2 4.21Å; L131-W205 HydrophobicContact CB-CZ3 4.22Å; L131-W205 HydrophobicContact CD2-CZ3 4.09Å; M201-W205 VanDerWaalsContact O-CB 3.29Å; M201-W205 WeakPolarHBondContact O-CB 3.22Å; M201-W205 PolarHBondContact O-N 3.3Å; M201-W205 VanDerWaalsContact O-N 3.11Å; V202-W205 WeakPolarHBondContact O-CB 3.49Å; V202-W205 PolarHBondContact O-N 3.42Å; V202-W205 VanDerWaalsContact O-N 3.13Å; M203-W205 PolarHBondContact O-N 3.06Å; W205-D207 VanDerWaalsContact C-N 3.3Å; W205-K208 PolarHBondContact O-N 3.33Å; W205-I209 PolarHBondContact O-N 3.16Å; W205-F211 AromaticContact CD1-CE2 3.94Å; W205-F211 AromaticContact CD2-CE2 3.93Å; W205-F211 HydrophobicContact CD2-CE2 3.93Å; W205-F211 HydrophobicContact CD2-CZ 4.21Å; W205-F211 AromaticContact CE2-CE2 3.5Å; W205-F211 AromaticContact CE2-CZ 3.32Å; W205-F211 HydrophobicContact CG-CE2 4.21Å; W205-F211 HydrophobicContact CH2-CZ 4.15Å; W205-F211 HydrophobicContact CZ2-CE1 4.18Å; W205-F211 AromaticContact CZ2-CE2 3.84Å; W205-F211 HydrophobicContact CZ2-CE2 3.84Å; W205-F211 AromaticContact CZ2-CZ 3.29Å; W205-F211 HydrophobicContact CZ2-CZ 3.29Å; W205-F211 AromaticContact NE1-CE2 3.49Å; W205-F211 AromaticContact NE1-CZ 3.33Å; W205-F211 VanDerWaalsContact NE1-CZ 3.33Å
206	L	98.6	Very high	98.5	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-36.3	172.4	-92.5	156.3	0	0	0	112	K85 V202 M203 I209 F211 Y295 N296 T300	K85-L206 HydrophobicContact CD-CD2 4.22Å; K85-L206 VanDerWaalsContact NZ-CD2 3.31Å; V202-L206 HydrophobicContact CG1-CD1 4.21Å; V202-L206 HydrophobicContact CG1-CD2 4.2Å; V202-L206 PolarHBondContact O-N 2.83Å; M203-L206 WeakPolarHBondContact O-CB 3.47Å; M203-L206 PolarHBondContact O-N 3.45Å; M203-L206 VanDerWaalsContact O-N 3.14Å; L206-I209 VanDerWaalsContact O-O 3.11Å; L206-F211 HydrophobicContact CD2-CD2 4.1Å; L206-F211 HydrophobicContact CD2-CE2 4.4Å; L206-Y295 HydrophobicContact CD1-CD1 3.84Å; L206-Y295 HydrophobicContact CD1-CE1 3.78Å; L206-N296 WeakPolarHBondContact CD1-OD1 3.36Å; L206-N296 WeakPolarHBondContact CG-OD1 3.34Å; L206-T300 HydrophobicContact CB-CG2 4.11Å; L206-T300 HydrophobicContact CG-CG2 4.46Å
207	D	97.4	Very high	98.5	Very high	100 Å²	100	22.8 Å²	22.8	54%	0.535	11%	0.107	S	C	.	.	H	α-helix	trans	-72.1	-32.6	176.7	-66.4	-24.2	0	0	0	113	M203 W205 H299	M203-D207 PolarHBondContact O-N 3.03Å; W205-D207 VanDerWaalsContact C-N 3.3Å; D207-H299 IonicContact OD1-CD2 3.94Å; D207-H299 IonicContact OD1-NE2 2.76Å; D207-H299 PolarHBondContact OD1-NE2 3.25Å; D207-H299 VanDerWaalsContact OD1-NE2 3.12Å
208	K	97.2	Very high	98.5	Very high	120 Å²	120	21.3 Å²	21.3	52%	0.522	10%	0.099	S	C	.	.	H	α-helix	trans	-83.1	-27.7	-174.8	-75.1	166.9	-166.4	160.7	0	113.4	E204 W205	E204-K208 WeakPolarHBondContact O-CB 3.42Å; E204-K208 VanDerWaalsContact O-CD 3.27Å; E204-K208 WeakPolarHBondContact O-CD 3.39Å; E204-K208 WeakPolarHBondContact O-CG 3.46Å; E204-K208 PolarHBondContact O-N 3.37Å; E204-K208 IonicContact OE2-NZ 2.68Å; E204-K208 PolarHBondContact OE2-NZ 2.95Å; W205-K208 PolarHBondContact O-N 3.33Å
209	I	98.2	Very high	98.3	Very high	27 Å²	27	21.6 Å²	21.6	14%	0.138	10%	0.102	C	C	.	.	S	Bend	trans	-125.9	124.2	-174	-54.4	-65.4	0	0	0	108.8	E83 W205 L206 F211	E83-I209 HydrophobicContact CB-CG2 3.87Å; E83-I209 HydrophobicContact CG-CG2 3.7Å; W205-I209 PolarHBondContact O-N 3.16Å; L206-I209 VanDerWaalsContact O-O 3.11Å; I209-F211 HydrophobicContact CB-CD2 4.04Å; I209-F211 HydrophobicContact CB-CE1 4.42Å; I209-F211 HydrophobicContact CB-CE2 3.57Å; I209-F211 HydrophobicContact CB-CZ 3.76Å; I209-F211 HydrophobicContact CG1-CE2 4.31Å; I209-F211 HydrophobicContact CG1-CZ 4.29Å; I209-F211 HydrophobicContact CG2-CD1 4.09Å; I209-F211 HydrophobicContact CG2-CD2 4.11Å; I209-F211 HydrophobicContact CG2-CE1 3.7Å; I209-F211 HydrophobicContact CG2-CE2 3.77Å; I209-F211 HydrophobicContact CG2-CG 4.26Å; I209-F211 HydrophobicContact CG2-CZ 3.52Å; I209-F211 WeakPolarHBondContact O-CD2 3.24Å; I209-F211 PolarHBondContact O-N 3.43Å
210	N	97.9	Very high	98	Very high	36 Å²	36	22.9 Å²	22.9	19%	0.193	12%	0.116	C	C	.	.			trans	-73.3	69.7	178.6	-174.2	26.4	0	0	0	111.8	E83 V212 N301 D383	E83-N210 WeakPolarHBondContact CB-O 3.28Å; N210-V212 PolarHBondContact O-N 3.2Å; N210-N301 PolarHBondContact OD1-ND2 2.89Å; N210-D383 HydrophobicContact CB-CB 4.27Å
211	F	98.9	Very high	97.8	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.013	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	132.5	176.7	-71.8	-64.2	0	0	0	111.2	E83 K85 H129 W205 L206 I209 N301 S302	E83-F211 HydrophobicContact CB-CD1 3.91Å; E83-F211 HydrophobicContact CB-CE1 4.27Å; K85-F211 HydrophobicContact CB-CD1 3.79Å; K85-F211 HydrophobicContact CB-CE1 3.62Å; K85-F211 HydrophobicContact CB-CG 4.44Å; K85-F211 HydrophobicContact CB-CZ 4.1Å; K85-F211 HydrophobicContact CD-CD1 4.19Å; K85-F211 HydrophobicContact CD-CD2 3.93Å; K85-F211 HydrophobicContact CD-CE1 4.35Å; K85-F211 HydrophobicContact CD-CE2 4.05Å; K85-F211 HydrophobicContact CD-CG 4Å; K85-F211 HydrophobicContact CD-CZ 4.29Å; K85-F211 HydrophobicContact CG-CD1 3.86Å; K85-F211 HydrophobicContact CG-CD2 4.49Å; K85-F211 HydrophobicContact CG-CE1 4.15Å; K85-F211 HydrophobicContact CG-CG 4.07Å; H129-F211 HydrophobicContact CB-CE1 4.02Å; H129-F211 HydrophobicContact CB-CZ 4.24Å; H129-F211 AromaticContact CD2-CE1 3.67Å; H129-F211 AromaticContact CG-CE1 3.84Å; W205-F211 AromaticContact CD1-CE2 3.94Å; W205-F211 AromaticContact CD2-CE2 3.93Å; W205-F211 HydrophobicContact CD2-CE2 3.93Å; W205-F211 HydrophobicContact CD2-CZ 4.21Å; W205-F211 AromaticContact CE2-CE2 3.5Å; W205-F211 AromaticContact CE2-CZ 3.32Å; W205-F211 HydrophobicContact CG-CE2 4.21Å; W205-F211 HydrophobicContact CH2-CZ 4.15Å; W205-F211 HydrophobicContact CZ2-CE1 4.18Å; W205-F211 AromaticContact CZ2-CE2 3.84Å; W205-F211 HydrophobicContact CZ2-CE2 3.84Å; W205-F211 AromaticContact CZ2-CZ 3.29Å; W205-F211 HydrophobicContact CZ2-CZ 3.29Å; W205-F211 AromaticContact NE1-CE2 3.49Å; W205-F211 AromaticContact NE1-CZ 3.33Å; W205-F211 VanDerWaalsContact NE1-CZ 3.33Å; L206-F211 HydrophobicContact CD2-CD2 4.1Å; L206-F211 HydrophobicContact CD2-CE2 4.4Å; I209-F211 HydrophobicContact CB-CD2 4.04Å; I209-F211 HydrophobicContact CB-CE1 4.42Å; I209-F211 HydrophobicContact CB-CE2 3.57Å; I209-F211 HydrophobicContact CB-CZ 3.76Å; I209-F211 HydrophobicContact CG1-CE2 4.31Å; I209-F211 HydrophobicContact CG1-CZ 4.29Å; I209-F211 HydrophobicContact CG2-CD1 4.09Å; I209-F211 HydrophobicContact CG2-CD2 4.11Å; I209-F211 HydrophobicContact CG2-CE1 3.7Å; I209-F211 HydrophobicContact CG2-CE2 3.77Å; I209-F211 HydrophobicContact CG2-CG 4.26Å; I209-F211 HydrophobicContact CG2-CZ 3.52Å; I209-F211 WeakPolarHBondContact O-CD2 3.24Å; I209-F211 PolarHBondContact O-N 3.43Å; F211-N301 CarbonylContact O-C 3.54Å; F211-S302 WeakPolarHBondContact O-CA 3.42Å; F211-S302 VanDerWaalsContact O-CB 3.32Å; F211-S302 WeakPolarHBondContact O-CB 3.16Å; F211-S302 PolarHBondContact O-N 2.97Å
212	V	98.9	Very high	97.6	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-44.5	178.8	-178.4	0	0	0	0	110.5	P82 E83 N210 F303 V338 Y389 L391	P82-V212 HydrophobicContact CB-CB 4.48Å; P82-V212 HydrophobicContact CB-CG2 3.94Å; E83-V212 PolarHBondContact O-N 3.23Å; N210-V212 PolarHBondContact O-N 3.2Å; V212-F303 PolarHBondContact O-N 3.41Å; V212-V338 HydrophobicContact CB-CG2 3.77Å; V212-V338 HydrophobicContact CG1-CG2 3.92Å; V212-Y389 HydrophobicContact CG1-CG 4.45Å; V212-Y389 HydrophobicContact CG2-CD1 4.5Å; V212-Y389 HydrophobicContact CG2-CD2 3.52Å; V212-Y389 HydrophobicContact CG2-CE2 4.37Å; V212-Y389 HydrophobicContact CG2-CG 3.61Å; V212-L391 HydrophobicContact CG1-CD1 4.33Å; V212-L391 HydrophobicContact CG1-CD2 3.66Å; V212-L391 HydrophobicContact CG1-CG 3.99Å
213	L	98.9	Very high	97.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.2	-177.3	-177.6	66.7	0	0	0	109.5	F84 K85 L250 F303 Y334 Q337 V338 L391	F84-L213 CarbonylContact C-O 3.19Å; F84-L213 VanDerWaalsContact CA-O 3.28Å; F84-L213 WeakPolarHBondContact CA-O 3.46Å; F84-L213 HydrophobicContact CD2-CB 3.94Å; F84-L213 HydrophobicContact CD2-CD2 4.01Å; F84-L213 HydrophobicContact CD2-CG 3.97Å; F84-L213 WeakPolarHBondContact CD2-O 3.45Å; F84-L213 HydrophobicContact CE2-CB 4.32Å; F84-L213 HydrophobicContact CE2-CD2 3.88Å; F84-L213 HydrophobicContact CE2-CG 3.85Å; K85-L213 PolarHBondContact N-O 3.46Å; L213-L250 HydrophobicContact CD1-CD1 3.68Å; L213-L250 HydrophobicContact CD1-CD2 3.8Å; L213-L250 HydrophobicContact CD1-CG 4.33Å; L213-L250 HydrophobicContact CD2-CD2 4.19Å; L213-F303 CarbonylContact C-O 3.56Å; L213-F303 WeakPolarHBondContact CA-O 3.46Å; L213-F303 HydrophobicContact CD1-CB 4Å; L213-F303 WeakPolarHBondContact CD1-O 3.37Å; L213-Y334 HydrophobicContact CD1-CE1 4.26Å; L213-Y334 VanDerWaalsContact CD1-OH 3.26Å; L213-Y334 WeakPolarHBondContact CD1-OH 3.49Å; L213-Y334 HydrophobicContact CD2-CE1 4.14Å; L213-Y334 WeakPolarHBondContact CD2-O 3.28Å; L213-Y334 HydrophobicContact CG-CE1 4.01Å; L213-Q337 HydrophobicContact CD2-CB 3.72Å; L213-V338 HydrophobicContact CB-CB 4.16Å; L213-V338 HydrophobicContact CB-CG2 3.89Å; L213-V338 HydrophobicContact CD2-CB 4.19Å; L213-L391 HydrophobicContact CB-CD1 4.15Å; L213-L391 HydrophobicContact CD1-CD1 3.92Å; L213-L391 HydrophobicContact CG-CD1 4.49Å
214	G	98.9	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	173.9	166.3	0	0	0	0	0	113.6	K85 F303 E304 I305 Y334	K85-G214 CarbonylContact O-C 3.56Å; K85-G214 WeakPolarHBondContact O-CA 3.36Å; G214-F303 PolarHBondContact N-O 3.01Å; G214-E304 VanDerWaalsContact O-CA 3.32Å; G214-E304 WeakPolarHBondContact O-CA 3.3Å; G214-I305 PolarHBondContact O-N 3.29Å; G214-Y334 PolarHBondContact O-OH 3.03Å
215	A	98.9	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148	168	0	0	0	0	0	111.6	K85 Y86 I87 I305 L307 Y334	K85-A215 PolarHBondContact O-N 2.61Å; K85-A215 VanDerWaalsContact O-N 3.08Å; Y86-A215 HydrophobicContact CD1-CB 3.95Å; Y86-A215 HydrophobicContact CE1-CB 3.76Å; I87-A215 PolarHBondContact N-O 3Å; I87-A215 VanDerWaalsContact N-O 3.07Å; A215-I305 CarbonylContact C-O 3.54Å; A215-I305 WeakPolarHBondContact CA-O 3.36Å; A215-I305 HydrophobicContact CB-CG1 3.85Å; A215-I305 WeakPolarHBondContact CB-O 3.23Å; A215-L307 HydrophobicContact CB-CD1 3.66Å; A215-L307 HydrophobicContact CB-CG 4Å; A215-Y334 HydrophobicContact CB-CD1 4.41Å; A215-Y334 HydrophobicContact CB-CE1 3.72Å
216	N	98.7	Very high	97.5	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.3	172.8	71.1	72.9	0	0	0	110.6	I87 H218 M292 E304 I305 T306 L307	I87-N216 HydrophobicContact CG2-CB 3.5Å; I87-N216 VanDerWaalsContact CG2-CB 3.5Å; I87-N216 CarbonylContact O-C 3.55Å; I87-N216 VanDerWaalsContact O-CA 3.28Å; I87-N216 WeakPolarHBondContact O-CA 3.48Å; N216-H218 PolarHBondContact OD1-CD2 3.09Å; N216-H218 PolarHBondContact OD1-NE2 2.86Å; N216-H218 VanDerWaalsContact OD1-NE2 3.13Å; N216-M292 HydrophobicContact CB-CE 3.13Å; N216-E304 PolarHBondContact ND2-OE1 3.32Å; N216-I305 PolarHBondContact N-O 2.92Å; N216-I305 PolarHBondContact ND2-O 3.27Å; N216-T306 PolarHBondContact ND2-OG1 2.91Å; N216-T306 CarbonylContact O-C 3.06Å; N216-T306 WeakPolarHBondContact O-CA 3.49Å; N216-T306 WeakPolarHBondContact OD1-CB 3.25Å; N216-T306 WeakPolarHBondContact OD1-CG2 3.46Å; N216-T306 PolarHBondContact OD1-OG1 3.18Å; N216-L307 PolarHBondContact O-N 2.04Å
217	M	98.8	Very high	97.5	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.1	-171.2	-62.4	179.9	-171.9	0	0	112.1	Y86 I87 A88 N89 L101 L307 L309 L331	Y86-M217 HydrophobicContact CD1-CE 3.44Å; Y86-M217 VanDerWaalsContact CD1-CE 3.44Å; Y86-M217 HydrophobicContact CD2-CE 4.22Å; Y86-M217 HydrophobicContact CE1-CE 3.7Å; Y86-M217 HydrophobicContact CE2-CE 4.44Å; Y86-M217 HydrophobicContact CG-CE 3.74Å; I87-M217 PolarHBondContact O-N 3.49Å; A88-M217 HydrophobicContact CB-CB 3.83Å; A88-M217 HydrophobicContact CB-CG 4.4Å; A88-M217 HydrophobicContact CB-SD 4.29Å; N89-M217 PolarHBondContact N-O 2.87Å; L101-M217 HydrophobicContact CD1-SD 4.3Å; L101-M217 HydrophobicContact CD2-CE 3.55Å; L101-M217 HydrophobicContact CD2-SD 4.01Å; L101-M217 HydrophobicContact CG-CE 4.16Å; L101-M217 HydrophobicContact CG-SD 3.95Å; M217-L307 HydrophobicContact CE-CD1 4.38Å; M217-L307 HydrophobicContact CG-CB 4.42Å; M217-L307 HydrophobicContact CG-CD1 4.38Å; M217-L309 HydrophobicContact CB-CD1 3.82Å; M217-L309 HydrophobicContact CG-CD1 4.09Å; M217-L309 HydrophobicContact SD-CD1 3.97Å; M217-L331 HydrophobicContact CE-CD2 3.28Å
218	H	98.2	Very high	97.5	Very high	5 Å²	5	12.5 Å²	12.5	2%	0.023	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	178.1	-179.1	-76.9	-91.1	0	0	0	111.6	M90 H91 E94 N216 T306 L307 E308 L309	M90-H218 VanDerWaalsContact CG-CE1 3.41Å; M90-H218 WeakPolarHBondContact CG-CE1 3.43Å; M90-H218 PolarHBondContact SD-CE1 3.2Å; M90-H218 PolarHBondContact SD-NE2 3.17Å; H91-H218 AromaticContact CE1-CE1 3.2Å; H91-H218 PolarHBondContact CE1-CE1 3.26Å; H91-H218 AromaticContact CE1-ND1 3.31Å; H91-H218 PolarHBondContact CE1-ND1 3.17Å; H91-H218 VanDerWaalsContact CE1-ND1 3.31Å; H91-H218 AromaticContact ND1-CE1 3.4Å; H91-H218 PolarHBondContact ND1-CE1 2.92Å; H91-H218 AromaticContact ND1-ND1 3.14Å; H91-H218 PolarHBondContact ND1-ND1 3.42Å; H91-H218 VanDerWaalsContact ND1-ND1 3.14Å; H91-H218 AromaticContact NE2-CE1 3.84Å; E94-H218 WeakPolarHBondContact OE2-CA 3.03Å; E94-H218 VanDerWaalsContact OE2-CB 3.26Å; E94-H218 WeakPolarHBondContact OE2-CB 3.45Å; E94-H218 IonicContact OE2-CE1 3.84Å; E94-H218 IonicContact OE2-CG 3.14Å; E94-H218 IonicContact OE2-ND1 3.7Å; E94-H218 PolarHBondContact OE2-ND1 3.47Å; N216-H218 PolarHBondContact OD1-CD2 3.09Å; N216-H218 PolarHBondContact OD1-NE2 2.86Å; N216-H218 VanDerWaalsContact OD1-NE2 3.13Å; H218-T306 HydrophobicContact CB-CG2 4.39Å; H218-L307 PolarHBondContact N-O 3.38Å; H218-E308 VanDerWaalsContact CB-CD 3.48Å; H218-E308 WeakPolarHBondContact CB-OE1 3.43Å; H218-E308 WeakPolarHBondContact CB-OE2 3.43Å; H218-L309 PolarHBondContact O-N 3.33Å; H218-L309 VanDerWaalsContact O-N 3.07Å
219	G	94.7	Very high	97.5	Very high	7 Å²	7	7 Å²	7	7%	0.072	4%	0.044	C	C	.	.			trans	-148.9	167	170.4	0	0	0	0	0	111.9	E94 E308 K313	E94-G219 WeakPolarHBondContact CG-O 3.45Å; E94-G219 PolarHBondContact OE2-N 3.15Å; E94-G219 VanDerWaalsContact OE2-N 3.11Å; G219-E308 WeakPolarHBondContact CA-OE2 3.04Å; G219-E308 PolarHBondContact N-OE2 2.62Å; G219-K313 WeakPolarHBondContact O-CE 3.42Å
220	G	92.3	Very high	97.4	Very high	27 Å²	27	6.8 Å²	6.8	28%	0.278	4%	0.042	S	C	.	.	S	Bend	trans	118.5	-18.3	-172.5	0	0	0	0	0	112.1	G310 C311	G220-G310 PolarHBondContact N-O 2.89Å; G220-C311 WeakPolarHBondContact CA-O 3.49Å
221	D	93.8	Very high	97.3	Very high	3 Å²	3	5.1 Å²	5.1	2%	0.016	3%	0.033	C	C	.	.	S	Bend	trans	-146.2	-175.6	172.1	-143.2	-40.9	0	0	0	111.6	K266 F275 W285 E308 G310	D221-K266 WeakPolarHBondContact OD1-CD 3.46Å; D221-K266 WeakPolarHBondContact OD1-CE 3.3Å; D221-K266 IonicContact OD1-NZ 3.51Å; D221-K266 PolarHBondContact OD1-NZ 2.92Å; D221-K266 IonicContact OD2-NZ 2.68Å; D221-K266 PolarHBondContact OD2-NZ 2.95Å; D221-F275 WeakPolarHBondContact OD1-CE2 3.39Å; D221-W285 HydrophobicContact CB-CH2 3.65Å; D221-W285 HydrophobicContact CB-CZ2 3.85Å; D221-W285 WeakPolarHBondContact OD2-CZ2 3.47Å; D221-E308 HydrophobicContact CB-CB 4.14Å; D221-E308 HydrophobicContact CB-CG 4.3Å; D221-E308 CarbonylContact O-C 3.19Å; D221-E308 VanDerWaalsContact O-C 3.32Å; D221-E308 WeakPolarHBondContact O-CB 3.48Å; D221-G310 PolarHBondContact N-O 2.95Å; D221-G310 CarbonylContact O-C 3.57Å; D221-G310 WeakPolarHBondContact O-CA 3.36Å; D221-G310 PolarHBondContact O-N 3.15Å; D221-G310 VanDerWaalsContact O-O 3.08Å
222	L	95	Very high	96.9	Very high	5 Å²	5	11 Å²	11	3%	0.026	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	91.4	174.4	-174.2	76.8	0	0	0	111.2	R260 M261 K266 E308	L222-R260 HydrophobicContact CD2-CB 3.78Å; L222-M261 HydrophobicContact CD1-CB 4.43Å; L222-M261 HydrophobicContact CD1-CE 3.85Å; L222-M261 HydrophobicContact CD2-CB 4.2Å; L222-M261 HydrophobicContact CG-CB 4.05Å; L222-M261 HydrophobicContact CG-CE 4.22Å; L222-M261 HydrophobicContact CG-CG 4.29Å; L222-K266 HydrophobicContact CB-CB 4.47Å; L222-E308 WeakPolarHBondContact CA-O 3.42Å
223	V	96.6	Very high	96.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	149.1	-176.2	63.4	0	0	0	0	111.3	F275 G278 I279 T280 W285 E308	V223-F275 HydrophobicContact CB-CB 4.36Å; V223-F275 HydrophobicContact CB-CD1 4.42Å; V223-F275 HydrophobicContact CB-CD2 3.59Å; V223-F275 HydrophobicContact CB-CE2 3.86Å; V223-F275 HydrophobicContact CB-CG 3.87Å; V223-F275 HydrophobicContact CB-CZ 4.38Å; V223-F275 HydrophobicContact CG1-CD2 4.15Å; V223-F275 HydrophobicContact CG1-CE2 3.9Å; V223-F275 HydrophobicContact CG1-CZ 4.09Å; V223-F275 HydrophobicContact CG2-CB 3.77Å; V223-F275 HydrophobicContact CG2-CD1 3.82Å; V223-F275 HydrophobicContact CG2-CD2 3.81Å; V223-F275 HydrophobicContact CG2-CE1 4.32Å; V223-F275 HydrophobicContact CG2-CE2 4.31Å; V223-F275 HydrophobicContact CG2-CG 3.52Å; V223-G278 WeakPolarHBondContact CG2-O 3.24Å; V223-I279 VanDerWaalsContact CG2-C 3.48Å; V223-T280 HydrophobicContact CG1-CG2 4.19Å; V223-T280 HydrophobicContact CG2-CG2 3.65Å; V223-W285 HydrophobicContact CG1-CE3 4.49Å; V223-W285 HydrophobicContact CG1-CH2 4.35Å; V223-W285 HydrophobicContact CG1-CZ3 4.05Å; V223-E308 HydrophobicContact CG1-CB 3.86Å; V223-E308 HydrophobicContact CG1-CG 3.78Å; V223-E308 PolarHBondContact N-O 3.39Å; V223-E308 WeakPolarHBondContact O-CB 3.43Å; V223-E308 PolarHBondContact O-N 3.08Å
224	A	98.2	Very high	96.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	107.6	163.4	0	0	0	0	0	109.5	A251 M261 G278 I279 T280 L307	A224-A251 HydrophobicContact CB-CB 3.89Å; A224-M261 HydrophobicContact CB-SD 4.09Å; A224-G278 PolarHBondContact N-O 2.89Å; A224-I279 HydrophobicContact CB-CG2 4.34Å; A224-I279 CarbonylContact O-C 3.51Å; A224-I279 VanDerWaalsContact O-CA 3.24Å; A224-I279 WeakPolarHBondContact O-CA 3.47Å; A224-T280 PolarHBondContact O-N 3.25Å; A224-L307 HydrophobicContact CB-CD2 3.93Å
225	N	98.1	Very high	95.9	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.037	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	131.7	-178.4	176	95.1	0	0	0	110.5	D229 T280 G282 Q293 I305 T306	N225-D229 PolarHBondContact ND2-OD1 3.02Å; N225-T280 CarbonylContact C-O 3.55Å; N225-T280 VanDerWaalsContact CA-O 3.29Å; N225-T280 WeakPolarHBondContact CA-O 3.05Å; N225-T280 HydrophobicContact CB-CG2 4.13Å; N225-G282 WeakPolarHBondContact OD1-CA 3.32Å; N225-G282 PolarHBondContact OD1-N 3.41Å; N225-Q293 PolarHBondContact ND2-NE2 2.88Å; N225-Q293 PolarHBondContact ND2-OE1 2.84Å; N225-Q293 PolarHBondContact O-OE1 3.24Å; N225-I305 WeakPolarHBondContact O-CB 3.32Å; N225-T306 WeakPolarHBondContact CA-O 3.31Å; N225-T306 HydrophobicContact CB-CG2 4.28Å; N225-T306 WeakPolarHBondContact CB-O 3.42Å; N225-T306 PolarHBondContact N-O 2.94Å; N225-T306 PolarHBondContact O-N 3.24Å
226	Y	98.7	Very high	95.6	Very high	18 Å²	18	26.6 Å²	26.6	7%	0.071	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.8	-179.6	63.5	-95.6	0	0	0	112.3	F247 V248 A251 I279 T280 N281 G282	Y226-F247 HydrophobicContact CD2-CB 4.18Å; Y226-F247 HydrophobicContact CG-CB 4.43Å; Y226-V248 HydrophobicContact CE1-CG2 4.26Å; Y226-V248 HydrophobicContact CE2-CG2 3.93Å; Y226-A251 HydrophobicContact CD1-CB 3.77Å; Y226-A251 HydrophobicContact CG-CB 4.44Å; Y226-I279 HydrophobicContact CD1-CB 4.44Å; Y226-I279 HydrophobicContact CE1-CB 4.18Å; Y226-I279 HydrophobicContact CE1-CD1 4Å; Y226-I279 HydrophobicContact CE1-CG1 4.17Å; Y226-T280 WeakPolarHBondContact CD1-O 3.5Å; Y226-T280 WeakPolarHBondContact CE1-O 3.41Å; Y226-T280 PolarHBondContact N-O 3.26Å; Y226-N281 HydrophobicContact CD2-CB 4.4Å; Y226-N281 HydrophobicContact CE2-CB 3.72Å; Y226-N281 WeakPolarHBondContact O-CA 3.24Å; Y226-G282 PolarHBondContact O-N 3.26Å
227	P	98.5	Very high	95.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-68.2	163.3	-172.2	24.7	-34.2	0	0	0	114	T241 F247 N281 Q293	P227-T241 HydrophobicContact CB-CG2 3.75Å; P227-T241 HydrophobicContact CG-CG2 3.92Å; P227-T241 WeakPolarHBondContact O-CG2 3.48Å; P227-F247 VanDerWaalsContact CD-CD1 3.47Å; P227-F247 HydrophobicContact CG-CD1 3.6Å; P227-F247 HydrophobicContact CG-CD2 3.91Å; P227-F247 HydrophobicContact CG-CE1 3.37Å; P227-F247 HydrophobicContact CG-CE2 3.69Å; P227-F247 HydrophobicContact CG-CG 3.85Å; P227-F247 HydrophobicContact CG-CZ 3.41Å; P227-F247 VanDerWaalsContact CG-CZ 3.41Å; P227-N281 PolarHBondContact O-ND2 3.29Å; P227-N281 VanDerWaalsContact O-ND2 3.08Å; P227-Q293 HydrophobicContact CB-CG 4.3Å; P227-Q293 HydrophobicContact CG-CG 4.41Å; P227-Q293 VanDerWaalsContact N-NE2 3.19Å
228	F	98.2	Very high	95.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.205	C	C	.	.			cis	-79.5	147	-5	-70.7	-63.2	0	0	0	112.3	F172 S239 T241 N281 A283 D294 Y297 L298	F172-F228 HydrophobicContact CD1-CE2 4.17Å; F172-F228 HydrophobicContact CD1-CZ 4.28Å; F172-F228 AromaticContact CE1-CE2 3.86Å; F172-F228 HydrophobicContact CE1-CE2 3.86Å; F172-F228 HydrophobicContact CE1-CZ 4.24Å; F172-F228 HydrophobicContact CG-CZ 4.48Å; F172-F228 HydrophobicContact CZ-CE2 4.22Å; F172-F228 HydrophobicContact CZ-CZ 4.38Å; F228-S239 PolarHBondContact N-O 3.16Å; F228-T241 HydrophobicContact CD1-CG2 4Å; F228-T241 HydrophobicContact CD2-CG2 3.65Å; F228-T241 HydrophobicContact CE1-CG2 3.98Å; F228-T241 HydrophobicContact CE2-CG2 3.66Å; F228-T241 HydrophobicContact CG-CG2 3.83Å; F228-T241 HydrophobicContact CZ-CG2 3.82Å; F228-N281 PolarHBondContact N-ND2 3.48Å; F228-A283 VanDerWaalsContact O-CB 3.26Å; F228-A283 WeakPolarHBondContact O-CB 3.17Å; F228-A283 PolarHBondContact O-N 2.71Å; F228-D294 WeakPolarHBondContact CA-OD1 3.41Å; F228-D294 HydrophobicContact CD1-CB 4.29Å; F228-Y297 AromaticContact CE1-CD1 3.77Å; F228-Y297 HydrophobicContact CE1-CD1 3.77Å; F228-Y297 HydrophobicContact CE1-CE1 4.13Å; F228-Y297 HydrophobicContact CZ-CD1 4.05Å; F228-Y297 AromaticContact CZ-CE1 3.93Å; F228-Y297 HydrophobicContact CZ-CE1 3.93Å; F228-L298 HydrophobicContact CD1-CD1 4.46Å; F228-L298 HydrophobicContact CE1-CD1 3.69Å; F228-L298 HydrophobicContact CE1-CD2 3.82Å; F228-L298 HydrophobicContact CE1-CG 3.73Å; F228-L298 HydrophobicContact CZ-CD1 4.3Å; F228-L298 HydrophobicContact CZ-CD2 3.8Å; F228-L298 HydrophobicContact CZ-CG 4.25Å
229	D	97.4	Very high	94.9	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.027	21%	0.206	C	C	.	.	S	Bend	trans	-77	-30.7	167.8	-75.8	-19	0	0	0	111.2	N225 G282 A283 S287 L288 Q293 D294	N225-D229 PolarHBondContact ND2-OD1 3.02Å; D229-G282 WeakPolarHBondContact OD1-CA 3.42Å; D229-A283 WeakPolarHBondContact O-CA 3.32Å; D229-A283 WeakPolarHBondContact O-CB 3.47Å; D229-S287 CarbonylContact O-C 3.32Å; D229-S287 WeakPolarHBondContact O-CA 3.46Å; D229-L288 HydrophobicContact CB-CB 4.12Å; D229-L288 HydrophobicContact CB-CD2 3.98Å; D229-L288 HydrophobicContact CB-CG 4.44Å; D229-L288 PolarHBondContact O-N 2.9Å; D229-Q293 PolarHBondContact OD1-NE2 3.46Å; D229-Q293 PolarHBondContact OD2-NE2 2.87Å; D229-D294 PolarHBondContact N-OD1 3.26Å; D229-D294 PolarHBondContact N-OD2 3.49Å; D229-D294 VanDerWaalsContact N-OD2 3.11Å
230	K	96.6	Very high	94.9	Very high	22 Å²	22	37.2 Å²	37.2	10%	0.096	22%	0.224	C	C	.	.	S	Bend	trans	-92.1	128.1	176	-169.2	-171.1	-179.5	84.6	0	112.4	D167 A169 Y173 S239 L288 N289 D294	D167-K230 VanDerWaalsContact OD1-CD 3.3Å; D167-K230 WeakPolarHBondContact OD1-CD 3.24Å; D167-K230 IonicContact OD1-NZ 3.64Å; D167-K230 IonicContact OD2-NZ 3.87Å; D167-K230 PolarHBondContact OD2-NZ 2.87Å; A169-K230 HydrophobicContact CB-CB 3.68Å; A169-K230 HydrophobicContact CB-CD 3.58Å; A169-K230 HydrophobicContact CB-CG 4.24Å; Y173-K230 HydrophobicContact CD2-CD 4.47Å; Y173-K230 HydrophobicContact CE2-CB 4.49Å; Y173-K230 HydrophobicContact CE2-CD 4.09Å; Y173-K230 HydrophobicContact CE2-CG 4.24Å; Y173-K230 PolarHBondContact OH-O 2.76Å; K230-S239 WeakPolarHBondContact O-CB 3.3Å; K230-S239 PolarHBondContact O-OG 2.88Å; K230-L288 WeakPolarHBondContact CA-O 3.49Å; K230-L288 VanDerWaalsContact CB-O 3.23Å; K230-L288 WeakPolarHBondContact CB-O 3.25Å; K230-L288 PolarHBondContact N-O 3.17Å; K230-N289 VanDerWaalsContact NZ-CG 3.35Å; K230-N289 PolarHBondContact NZ-OD1 3.01Å; K230-D294 PolarHBondContact N-OD2 2.83Å
231	S	94.5	Very high	95.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	21%	0.212	C	C	.	.			trans	-86.5	156.3	164.3	64.6	0	0	0	0	113	T233 G234 N235 S287	S231-T233 PolarHBondContact O-N 3.11Å; S231-G234 PolarHBondContact O-N 3.23Å; S231-G234 WeakPolarHBondContact OG-CA 3.08Å; S231-G234 PolarHBondContact OG-N 2.99Å; S231-N235 WeakPolarHBondContact CB-O 3.47Å; S231-N235 PolarHBondContact OG-N 3.4Å; S231-N235 PolarHBondContact OG-O 3.1Å; S231-S287 PolarHBondContact N-OG 2.89Å; S231-S287 WeakPolarHBondContact OG-CB 3.4Å; S231-S287 PolarHBondContact OG-OG 2.9Å
232	I	90.5	Very high	95.4	Very high	126 Å²	126	37.7 Å²	37.7	65%	0.646	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-37.8	175.5	-64.9	173.6	0	0	0	111.8	Y173	Y173-I232 HydrophobicContact CD1-CD1 4.06Å; Y173-I232 HydrophobicContact CD1-CG1 3.48Å; Y173-I232 VanDerWaalsContact CD1-CG1 3.48Å; Y173-I232 HydrophobicContact CD2-CG1 4.08Å; Y173-I232 HydrophobicContact CE1-CD1 4.25Å; Y173-I232 HydrophobicContact CE1-CG1 3.58Å; Y173-I232 HydrophobicContact CE2-CG1 4.16Å; Y173-I232 HydrophobicContact CG-CG1 3.78Å
233	T	90.9	Very high	95.5	Very high	96 Å²	96	37.5 Å²	37.5	59%	0.589	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-14.7	-175.3	58.6	0	0	0	0	113.5	S231 N235	S231-T233 PolarHBondContact O-N 3.11Å; T233-N235 PolarHBondContact O-N 3Å; T233-N235 PolarHBondContact OG1-N 3.4Å
234	G	90.6	Very high	95.6	Very high	42 Å²	42	38.9 Å²	38.9	43%	0.433	23%	0.228	S	C	.	.	S	Bend	trans	77.7	-2.5	-168.3	0	0	0	0	0	114.3	S231 S287	S231-G234 PolarHBondContact O-N 3.23Å; S231-G234 WeakPolarHBondContact OG-CA 3.08Å; S231-G234 PolarHBondContact OG-N 2.99Å; G234-S287 VanDerWaalsContact C-CB 3.49Å; G234-S287 WeakPolarHBondContact CA-OG 3.44Å; G234-S287 WeakPolarHBondContact O-CB 3.26Å
235	N	93.9	Very high	95.6	Very high	112 Å²	112	42.5 Å²	42.5	60%	0.599	25%	0.252	S	S	*	.	S	Bend	trans	-91.5	160.2	175.7	-63.3	-31.7	0	0	0	111.2	S231 T233 A237	S231-N235 WeakPolarHBondContact CB-O 3.47Å; S231-N235 PolarHBondContact OG-N 3.4Å; S231-N235 PolarHBondContact OG-O 3.1Å; T233-N235 PolarHBondContact O-N 3Å; T233-N235 PolarHBondContact OG1-N 3.4Å; N235-A237 PolarHBondContact O-N 3.19Å
236	S	94.3	Very high	95.6	Very high	80 Å²	80	42.3 Å²	42.3	56%	0.559	25%	0.251	S	S	*	.	S	Bend	trans	-60.1	104.9	170	-61.1	0	0	0	0	110.1	A283 W285	S236-A283 CarbonylContact C-O 3.54Å; S236-A283 VanDerWaalsContact CA-O 3.29Å; S236-A283 WeakPolarHBondContact CA-O 3.34Å; S236-W285 PolarHBondContact OG-O 2.92Å
237	A	93.4	Very high	95.6	Very high	41 Å²	41	41.5 Å²	41.5	34%	0.339	25%	0.248	S	C	.	.			trans	-161.1	141.4	-178.6	0	0	0	0	0	107.8	N235 S239 A283 R284	N235-A237 PolarHBondContact O-N 3.19Å; A237-S239 PolarHBondContact O-N 3.45Å; A237-A283 PolarHBondContact N-O 3Å; A237-A283 CarbonylContact O-C 3.05Å; A237-A283 WeakPolarHBondContact O-CB 3.31Å; A237-A283 VanDerWaalsContact O-O 3.13Å; A237-R284 PolarHBondContact O-N 2.74Å
238	E	92.7	Very high	95.7	Very high	102 Å²	102	43 Å²	43	48%	0.477	26%	0.257	S	S	.	.			trans	-57.6	132.2	178.5	-173.9	169.6	-101.1	0	0	111.2	I240 N281 R284	E238-I240 HydrophobicContact CG-CD1 3.54Å; E238-I240 HydrophobicContact CG-CG1 4.2Å; E238-N281 WeakPolarHBondContact CA-OD1 3.42Å; E238-N281 HydrophobicContact CG-CB 4.3Å; E238-R284 HydrophobicContact CB-CB 4.22Å; E238-R284 IonicContact OE1-NH1 3.89Å
239	S	94.8	Very high	95.7	Very high	8 Å²	8	45.7 Å²	45.7	6%	0.056	27%	0.27	C	S	.	.			trans	-128.8	106.8	179.8	-159.2	0	0	0	0	111.1	Y173 F228 K230 A237 N281	Y173-S239 PolarHBondContact OH-OG 2.88Å; F228-S239 PolarHBondContact N-O 3.16Å; K230-S239 WeakPolarHBondContact O-CB 3.3Å; K230-S239 PolarHBondContact O-OG 2.88Å; A237-S239 PolarHBondContact O-N 3.45Å; S239-N281 PolarHBondContact N-OD1 2.59Å; S239-N281 PolarHBondContact O-ND2 3.11Å
240	I	94.9	Very high	95.7	Very high	86 Å²	86	45.4 Å²	45.4	44%	0.441	27%	0.268	S	S	.	.			trans	-87.4	128.2	-166.5	-59.8	-60.1	0	0	0	110.6	E238 N244	E238-I240 HydrophobicContact CG-CD1 3.54Å; E238-I240 HydrophobicContact CG-CG1 4.2Å; I240-N244 HydrophobicContact CG2-CB 3.59Å
241	T	97.5	Very high	95.9	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.025	26%	0.264	C	S	.	.			trans	-79.3	157	169.6	60.6	0	0	0	0	111.2	P227 F228 D243 N244 F247 Y297	P227-T241 HydrophobicContact CB-CG2 3.75Å; P227-T241 HydrophobicContact CG-CG2 3.92Å; P227-T241 WeakPolarHBondContact O-CG2 3.48Å; F228-T241 HydrophobicContact CD1-CG2 4Å; F228-T241 HydrophobicContact CD2-CG2 3.65Å; F228-T241 HydrophobicContact CE1-CG2 3.98Å; F228-T241 HydrophobicContact CE2-CG2 3.66Å; F228-T241 HydrophobicContact CG-CG2 3.83Å; F228-T241 HydrophobicContact CZ-CG2 3.82Å; T241-D243 PolarHBondContact O-N 3.24Å; T241-N244 VanDerWaalsContact O-CB 3.3Å; T241-N244 WeakPolarHBondContact O-CB 3.39Å; T241-N244 PolarHBondContact O-N 2.97Å; T241-N244 VanDerWaalsContact O-N 3.09Å; T241-N244 WeakPolarHBondContact OG1-CA 3.15Å; T241-N244 PolarHBondContact OG1-N 2.98Å; T241-F247 HydrophobicContact CG2-CD2 4.3Å; T241-F247 HydrophobicContact CG2-CE2 4.27Å; T241-F247 VanDerWaalsContact OG1-CD2 3.31Å; T241-F247 WeakPolarHBondContact OG1-CD2 3.5Å; T241-Y297 HydrophobicContact CG2-CD1 4.17Å; T241-Y297 HydrophobicContact CG2-CE1 3.85Å
242	P	97.2	Very high	96	Very high	35 Å²	35	46.9 Å²	46.9	23%	0.227	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-35.8	168.3	-27.7	34.6	0	0	0	113.4	F172 I376 L377 H378	F172-P242 HydrophobicContact CE2-CG 4.32Å; F172-P242 HydrophobicContact CZ-CG 4.18Å; P242-I376 HydrophobicContact CB-CG2 4.11Å; P242-I376 WeakPolarHBondContact O-CG2 3.48Å; P242-L377 HydrophobicContact CB-CB 4.15Å; P242-L377 HydrophobicContact CG-CB 4.16Å; P242-L377 WeakPolarHBondContact CG-O 3.36Å; P242-H378 HydrophobicContact CB-CB 4.08Å; P242-H378 HydrophobicContact CG-CB 4.32Å
243	D	98.4	Very high	96.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	23.3	179.5	-85.6	-72.7	0	0	0	114.4	T241 P245 T246 F247 Y297 F303 H378 R390	T241-D243 PolarHBondContact O-N 3.24Å; D243-P245 VanDerWaalsContact C-CD 3.5Å; D243-T246 WeakPolarHBondContact O-CA 3.43Å; D243-T246 VanDerWaalsContact O-CB 3.31Å; D243-T246 WeakPolarHBondContact O-CB 3.16Å; D243-T246 PolarHBondContact O-N 3.38Å; D243-F247 HydrophobicContact CB-CD2 4Å; D243-F247 HydrophobicContact CB-CE2 4.06Å; D243-F247 PolarHBondContact O-N 2.71Å; D243-Y297 HydrophobicContact CB-CE2 4.28Å; D243-Y297 WeakPolarHBondContact CB-OH 3.45Å; D243-Y297 PolarHBondContact N-OH 3.15Å; D243-Y297 PolarHBondContact OD2-OH 3.15Å; D243-F303 HydrophobicContact CB-CE1 3.6Å; D243-F303 HydrophobicContact CB-CZ 4.15Å; D243-H378 IonicContact OD2-CD2 3.18Å; D243-H378 IonicContact OD2-CG 3.01Å; D243-R390 IonicContact OD1-CZ 3.92Å; D243-R390 IonicContact OD1-NH1 3.1Å; D243-R390 IonicContact OD1-NH2 3.73Å; D243-R390 PolarHBondContact OD1-NH2 3.49Å; D243-R390 IonicContact OD2-CZ 2.9Å; D243-R390 VanDerWaalsContact OD2-CZ 3.29Å; D243-R390 IonicContact OD2-NH1 3.06Å; D243-R390 PolarHBondContact OD2-NH1 3.01Å; D243-R390 IonicContact OD2-NH2 3.77Å; D243-R390 PolarHBondContact OD2-NH2 3.4Å
244	N	98.3	Very high	96.8	Very high	29 Å²	29	36.8 Å²	36.8	16%	0.155	22%	0.219	C	C	.	.	H	α-helix	trans	-51.9	-44.1	-172.2	179.9	83.2	0	0	0	114.9	I240 T241 T246 F247 V248	I240-N244 HydrophobicContact CG2-CB 3.59Å; T241-N244 VanDerWaalsContact O-CB 3.3Å; T241-N244 WeakPolarHBondContact O-CB 3.39Å; T241-N244 PolarHBondContact O-N 2.97Å; T241-N244 VanDerWaalsContact O-N 3.09Å; T241-N244 WeakPolarHBondContact OG1-CA 3.15Å; T241-N244 PolarHBondContact OG1-N 2.98Å; N244-T246 VanDerWaalsContact C-N 3.27Å; N244-T246 PolarHBondContact O-N 2.63Å; N244-F247 PolarHBondContact O-N 3.07Å; N244-F247 VanDerWaalsContact O-N 3.16Å; N244-V248 WeakPolarHBondContact O-CG2 3.48Å; N244-V248 PolarHBondContact O-N 3.38Å
245	P	98.2	Very high	97.2	Very high	76 Å²	76	34.8 Å²	34.8	49%	0.494	20%	0.199	S	C	.	.	H	α-helix	trans	-57.9	-39.2	175.4	-24.8	35.5	0	0	0	113.3	D243 E249 T393	D243-P245 VanDerWaalsContact C-CD 3.5Å; P245-E249 PolarHBondContact O-N 3Å; P245-T393 HydrophobicContact CB-CG2 3.93Å; P245-T393 WeakPolarHBondContact O-CG2 3.34Å
246	T	98.7	Very high	97.3	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.025	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-46.8	176.1	-56.8	0	0	0	0	110.2	D243 N244 E249 L250 F303 R340 L391	D243-T246 WeakPolarHBondContact O-CA 3.43Å; D243-T246 VanDerWaalsContact O-CB 3.31Å; D243-T246 WeakPolarHBondContact O-CB 3.16Å; D243-T246 PolarHBondContact O-N 3.38Å; N244-T246 VanDerWaalsContact C-N 3.27Å; N244-T246 PolarHBondContact O-N 2.63Å; T246-E249 PolarHBondContact O-N 3.45Å; T246-L250 HydrophobicContact CG2-CD1 4.26Å; T246-L250 HydrophobicContact CG2-CG 4.45Å; T246-L250 VanDerWaalsContact O-CG 3.3Å; T246-L250 WeakPolarHBondContact O-CG 3.19Å; T246-L250 PolarHBondContact O-N 2.86Å; T246-F303 HydrophobicContact CG2-CD1 4.26Å; T246-F303 HydrophobicContact CG2-CE1 4Å; T246-R340 PolarHBondContact O-NH1 3.26Å; T246-L391 HydrophobicContact CG2-CB 3.89Å
247	F	98.8	Very high	97.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.9	-39.8	179.3	-85.5	-66.4	0	0	0	114	Y226 P227 T241 D243 N244 L250 A251 Y297 F303 E304 I305	Y226-F247 HydrophobicContact CD2-CB 4.18Å; Y226-F247 HydrophobicContact CG-CB 4.43Å; P227-F247 VanDerWaalsContact CD-CD1 3.47Å; P227-F247 HydrophobicContact CG-CD1 3.6Å; P227-F247 HydrophobicContact CG-CD2 3.91Å; P227-F247 HydrophobicContact CG-CE1 3.37Å; P227-F247 HydrophobicContact CG-CE2 3.69Å; P227-F247 HydrophobicContact CG-CG 3.85Å; P227-F247 HydrophobicContact CG-CZ 3.41Å; P227-F247 VanDerWaalsContact CG-CZ 3.41Å; T241-F247 HydrophobicContact CG2-CD2 4.3Å; T241-F247 HydrophobicContact CG2-CE2 4.27Å; T241-F247 VanDerWaalsContact OG1-CD2 3.31Å; T241-F247 WeakPolarHBondContact OG1-CD2 3.5Å; D243-F247 HydrophobicContact CB-CD2 4Å; D243-F247 HydrophobicContact CB-CE2 4.06Å; D243-F247 PolarHBondContact O-N 2.71Å; N244-F247 PolarHBondContact O-N 3.07Å; N244-F247 VanDerWaalsContact O-N 3.16Å; F247-L250 HydrophobicContact CD1-CD1 4.21Å; F247-L250 WeakPolarHBondContact O-CB 3.32Å; F247-L250 PolarHBondContact O-N 2.83Å; F247-A251 PolarHBondContact O-N 2.91Å; F247-Y297 HydrophobicContact CE2-CD1 4.21Å; F247-Y297 AromaticContact CE2-CD2 3.68Å; F247-Y297 HydrophobicContact CE2-CD2 3.68Å; F247-Y297 HydrophobicContact CE2-CE1 4.14Å; F247-Y297 AromaticContact CE2-CE2 3.56Å; F247-Y297 HydrophobicContact CE2-CE2 3.56Å; F247-Y297 AromaticContact CE2-CG 3.99Å; F247-Y297 HydrophobicContact CE2-CG 3.99Å; F247-Y297 AromaticContact CE2-CZ 3.82Å; F247-Y297 HydrophobicContact CZ-CD1 4.39Å; F247-Y297 AromaticContact CZ-CD2 3.54Å; F247-Y297 HydrophobicContact CZ-CD2 3.54Å; F247-Y297 AromaticContact CZ-CE2 3.93Å; F247-Y297 HydrophobicContact CZ-CE2 3.93Å; F247-Y297 AromaticContact CZ-CG 3.79Å; F247-Y297 HydrophobicContact CZ-CG 3.79Å; F247-F303 HydrophobicContact CD1-CD1 4.4Å; F247-F303 HydrophobicContact CD2-CD1 4.25Å; F247-F303 HydrophobicContact CD2-CE1 4.49Å; F247-F303 HydrophobicContact CE1-CB 3.96Å; F247-F303 AromaticContact CE1-CD1 3.84Å; F247-F303 HydrophobicContact CE1-CD1 3.84Å; F247-F303 HydrophobicContact CE1-CG 4.32Å; F247-F303 AromaticContact CE2-CD1 3.69Å; F247-F303 HydrophobicContact CE2-CD1 3.69Å; F247-F303 AromaticContact CE2-CE1 3.99Å; F247-F303 HydrophobicContact CE2-CE1 3.99Å; F247-F303 HydrophobicContact CZ-CB 4.07Å; F247-F303 AromaticContact CZ-CD1 3.46Å; F247-F303 HydrophobicContact CZ-CD1 3.46Å; F247-F303 VanDerWaalsContact CZ-CD1 3.46Å; F247-F303 HydrophobicContact CZ-CE1 4.2Å; F247-F303 HydrophobicContact CZ-CG 4.01Å; F247-E304 WeakPolarHBondContact CE1-O 3.45Å; F247-I305 HydrophobicContact CD1-CG2 3.96Å; F247-I305 HydrophobicContact CE1-CG2 4.33Å
248	V	98.7	Very high	97.7	Very high	31 Å²	31	29.9 Å²	29.9	19%	0.188	16%	0.158	C	C	.	.	H	α-helix	trans	-58.4	-52.9	173.5	169.8	0	0	0	0	109.8	Y226 N244 L250 A251 E252 I279	Y226-V248 HydrophobicContact CE1-CG2 4.26Å; Y226-V248 HydrophobicContact CE2-CG2 3.93Å; N244-V248 WeakPolarHBondContact O-CG2 3.48Å; N244-V248 PolarHBondContact O-N 3.38Å; V248-L250 VanDerWaalsContact C-N 3.27Å; V248-L250 PolarHBondContact O-N 2.86Å; V248-A251 PolarHBondContact O-N 2.95Å; V248-A251 VanDerWaalsContact O-N 3.16Å; V248-E252 HydrophobicContact CG1-CG 4.38Å; V248-E252 VanDerWaalsContact O-CG 3.32Å; V248-E252 WeakPolarHBondContact O-CG 3.38Å; V248-E252 PolarHBondContact O-N 3.39Å; V248-I279 HydrophobicContact CG1-CD1 3.91Å
249	E	98.8	Very high	97.8	Very high	57 Å²	57	28.6 Å²	28.6	27%	0.266	16%	0.159	S	C	.	.	H	α-helix	trans	-63	-31.5	178	-77.4	-170.6	-147.6	0	0	112.6	P245 T246 S253 R340 T393	P245-E249 PolarHBondContact O-N 3Å; T246-E249 PolarHBondContact O-N 3.45Å; E249-S253 WeakPolarHBondContact O-CB 3.49Å; E249-S253 PolarHBondContact O-N 3.22Å; E249-R340 IonicContact OE2-CZ 3.96Å; E249-R340 IonicContact OE2-NH2 3.22Å; E249-R340 PolarHBondContact OE2-NH2 3Å; E249-T393 HydrophobicContact CG-CG2 4.26Å; E249-T393 WeakPolarHBondContact OE1-CB 3.43Å; E249-T393 VanDerWaalsContact OE1-CG2 3.26Å; E249-T393 WeakPolarHBondContact OE1-CG2 3.4Å
250	L	98.9	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-47.2	173.9	-74.7	175.5	0	0	0	111.3	L213 T246 F247 V248 S253 F303 I305 Y334 Q337 L391	L213-L250 HydrophobicContact CD1-CD1 3.68Å; L213-L250 HydrophobicContact CD1-CD2 3.8Å; L213-L250 HydrophobicContact CD1-CG 4.33Å; L213-L250 HydrophobicContact CD2-CD2 4.19Å; T246-L250 HydrophobicContact CG2-CD1 4.26Å; T246-L250 HydrophobicContact CG2-CG 4.45Å; T246-L250 VanDerWaalsContact O-CG 3.3Å; T246-L250 WeakPolarHBondContact O-CG 3.19Å; T246-L250 PolarHBondContact O-N 2.86Å; F247-L250 HydrophobicContact CD1-CD1 4.21Å; F247-L250 WeakPolarHBondContact O-CB 3.32Å; F247-L250 PolarHBondContact O-N 2.83Å; V248-L250 VanDerWaalsContact C-N 3.27Å; V248-L250 PolarHBondContact O-N 2.86Å; L250-S253 PolarHBondContact O-N 3.08Å; L250-S253 PolarHBondContact O-OG 3.35Å; L250-F303 HydrophobicContact CD1-CB 4Å; L250-F303 HydrophobicContact CD1-CD1 4.11Å; L250-F303 HydrophobicContact CD1-CG 4.45Å; L250-I305 HydrophobicContact CB-CG2 4.45Å; L250-Y334 HydrophobicContact CB-CE2 4.2Å; L250-Y334 HydrophobicContact CD2-CE2 4.48Å; L250-Y334 WeakPolarHBondContact O-CE2 3.44Å; L250-Q337 HydrophobicContact CD2-CB 3.6Å; L250-Q337 HydrophobicContact CD2-CG 4.1Å; L250-L391 HydrophobicContact CD1-CD1 4.3Å
251	A	98.8	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.6	-44.9	177.4	0	0	0	0	0	111.6	A224 Y226 F247 V248 S253 Y254 A255 I279	A224-A251 HydrophobicContact CB-CB 3.89Å; Y226-A251 HydrophobicContact CD1-CB 3.77Å; Y226-A251 HydrophobicContact CG-CB 4.44Å; F247-A251 PolarHBondContact O-N 2.91Å; V248-A251 PolarHBondContact O-N 2.95Å; V248-A251 VanDerWaalsContact O-N 3.16Å; A251-S253 VanDerWaalsContact C-N 3.29Å; A251-S253 PolarHBondContact O-N 2.9Å; A251-Y254 PolarHBondContact O-N 3.31Å; A251-A255 PolarHBondContact O-N 3.08Å; A251-I279 HydrophobicContact CB-CB 4.07Å; A251-I279 HydrophobicContact CB-CG2 3.68Å
252	E	98.5	Very high	97.5	Very high	55 Å²	55	30.1 Å²	30.1	26%	0.257	16%	0.159	S	C	.	.	H	α-helix	trans	-58.8	-40.6	175.2	-70.9	176.2	152.3	0	0	111.5	V248 Y254 A255 D256 I279	V248-E252 HydrophobicContact CG1-CG 4.38Å; V248-E252 VanDerWaalsContact O-CG 3.32Å; V248-E252 WeakPolarHBondContact O-CG 3.38Å; V248-E252 PolarHBondContact O-N 3.39Å; E252-Y254 PolarHBondContact O-N 2.91Å; E252-Y254 VanDerWaalsContact O-N 3.14Å; E252-A255 PolarHBondContact O-N 2.73Å; E252-A255 VanDerWaalsContact O-N 3.16Å; E252-D256 WeakPolarHBondContact O-CB 3.22Å; E252-D256 PolarHBondContact O-N 2.91Å; E252-I279 HydrophobicContact CG-CD1 3.86Å; E252-I279 HydrophobicContact CG-CG2 4.1Å
253	S	98.5	Very high	97.2	Very high	9 Å²	9	35.1 Å²	35.1	6%	0.063	18%	0.177	C	C	.	.	H	α-helix	trans	-58.6	-30.9	179.9	81.2	0	0	0	0	113.2	E249 L250 A251 N333 Y334 Q337	E249-S253 WeakPolarHBondContact O-CB 3.49Å; E249-S253 PolarHBondContact O-N 3.22Å; L250-S253 PolarHBondContact O-N 3.08Å; L250-S253 PolarHBondContact O-OG 3.35Å; A251-S253 VanDerWaalsContact C-N 3.29Å; A251-S253 PolarHBondContact O-N 2.9Å; S253-N333 PolarHBondContact O-ND2 3.42Å; S253-Y334 WeakPolarHBondContact OG-CD2 3.3Å; S253-Q337 VanDerWaalsContact OG-CG 3.28Å; S253-Q337 WeakPolarHBondContact OG-CG 3.16Å
254	Y	98.8	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-80.6	-51.3	173.3	-167	-82	0	0	0	111	A251 E252 D256 K257 H258 M261 L307 L309 N327 S330 L331 Y334	A251-Y254 PolarHBondContact O-N 3.31Å; E252-Y254 PolarHBondContact O-N 2.91Å; E252-Y254 VanDerWaalsContact O-N 3.14Å; Y254-D256 PolarHBondContact O-N 3.3Å; Y254-K257 PolarHBondContact O-N 3.11Å; Y254-H258 PolarHBondContact O-N 3.07Å; Y254-M261 HydrophobicContact CD1-CE 4.2Å; Y254-M261 HydrophobicContact CD1-SD 3.94Å; Y254-M261 HydrophobicContact CE1-CE 4.09Å; Y254-M261 HydrophobicContact CE1-SD 4.4Å; Y254-L307 HydrophobicContact CD1-CD2 3.66Å; Y254-L307 HydrophobicContact CD2-CD1 3.69Å; Y254-L307 HydrophobicContact CD2-CD2 3.95Å; Y254-L307 HydrophobicContact CD2-CG 4.49Å; Y254-L307 HydrophobicContact CE1-CD1 4.32Å; Y254-L307 HydrophobicContact CE1-CD2 4.08Å; Y254-L307 HydrophobicContact CE2-CD1 3.46Å; Y254-L307 VanDerWaalsContact CE2-CD1 3.46Å; Y254-L307 HydrophobicContact CE2-CD2 4.33Å; Y254-L307 HydrophobicContact CG-CD1 4.22Å; Y254-L307 HydrophobicContact CG-CD2 3.6Å; Y254-L309 HydrophobicContact CE1-CD2 4.39Å; Y254-N327 PolarHBondContact OH-OD1 3.18Å; Y254-S330 VanDerWaalsContact O-CB 3.32Å; Y254-S330 WeakPolarHBondContact O-CB 3.48Å; Y254-S330 PolarHBondContact O-OG 3.1Å; Y254-L331 HydrophobicContact CE2-CD2 3.98Å; Y254-L331 HydrophobicContact CE2-CG 4.25Å; Y254-Y334 HydrophobicContact CD2-CD2 4.5Å; Y254-Y334 HydrophobicContact CD2-CG 4.2Å
255	A	98.2	Very high	95.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-44.5	-175.2	0	0	0	0	0	112.3	A251 E252 K257 H258 M261 K262 D277 I279	A251-A255 PolarHBondContact O-N 3.08Å; E252-A255 PolarHBondContact O-N 2.73Å; E252-A255 VanDerWaalsContact O-N 3.16Å; A255-K257 PolarHBondContact O-N 2.85Å; A255-K257 VanDerWaalsContact O-N 3.15Å; A255-H258 PolarHBondContact O-N 3.3Å; A255-M261 HydrophobicContact CB-CG 3.92Å; A255-M261 HydrophobicContact CB-SD 3.78Å; A255-K262 WeakPolarHBondContact O-CB 3.17Å; A255-K262 PolarHBondContact O-N 3.03Å; A255-D277 WeakPolarHBondContact CB-O 3.43Å; A255-I279 HydrophobicContact CB-CG2 4.05Å
256	D	97.5	Very high	94	Very high	77 Å²	77	37 Å²	37	41%	0.412	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.1	-178.8	-79.1	-1.3	0	0	0	113.8	E252 Y254 K262	E252-D256 WeakPolarHBondContact O-CB 3.22Å; E252-D256 PolarHBondContact O-N 2.91Å; Y254-D256 PolarHBondContact O-N 3.3Å; D256-K262 WeakPolarHBondContact OD1-CD 3.41Å; D256-K262 WeakPolarHBondContact OD1-CE 3.26Å; D256-K262 IonicContact OD1-NZ 2.68Å; D256-K262 PolarHBondContact OD1-NZ 3.28Å
257	K	97.6	Very high	92.5	Very high	53 Å²	53	46.5 Å²	46.5	23%	0.23	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-8.7	178.9	-58.9	-54.2	177.5	-174.4	0	113.1	Y254 A255 M329 S330 N333 I421 N422	Y254-K257 PolarHBondContact O-N 3.11Å; A255-K257 PolarHBondContact O-N 2.85Å; A255-K257 VanDerWaalsContact O-N 3.15Å; K257-M329 HydrophobicContact CB-CB 4.47Å; K257-S330 WeakPolarHBondContact CB-OG 3.46Å; K257-N333 HydrophobicContact CG-CB 3.78Å; K257-I421 HydrophobicContact CD-CG2 4.33Å; K257-N422 PolarHBondContact NZ-ND2 3.18Å; K257-N422 VanDerWaalsContact NZ-ND2 3.13Å
258	H	97.4	Very high	91.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.228	C	C	.	.	S	Bend	trans	-94	115.4	178.6	-175.5	-54.3	0	0	0	109.7	Y254 A255 R260 M261 K262 N327 S330	Y254-H258 PolarHBondContact O-N 3.07Å; A255-H258 PolarHBondContact O-N 3.3Å; H258-R260 VanDerWaalsContact C-N 3.27Å; H258-R260 PolarHBondContact ND1-N 3.06Å; H258-R260 PolarHBondContact O-N 3.28Å; H258-M261 HydrophobicContact CB-CB 3.76Å; H258-M261 PolarHBondContact ND1-N 3.09Å; H258-M261 VanDerWaalsContact ND1-N 3.16Å; H258-M261 PolarHBondContact O-N 3.16Å; H258-K262 PolarHBondContact O-N 3.04Å; H258-N327 PolarHBondContact CD2-OD1 3.28Å; H258-N327 VanDerWaalsContact CD2-OD1 3.3Å; H258-S330 WeakPolarHBondContact CA-OG 3.3Å; H258-S330 WeakPolarHBondContact CB-OG 3.29Å; H258-S330 PolarHBondContact N-OG 3.16Å
259	P	94.6	Very high	89.8	Confident	74 Å²	74	56.7 Å²	56.7	48%	0.481	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.5	-168.3	-28	34.7	0	0	0	116.9	K263 E326	P259-K263 WeakPolarHBondContact O-CD 3.48Å; P259-K263 VanDerWaalsContact O-CE 3.3Å; P259-K263 WeakPolarHBondContact O-CE 3.39Å; P259-E326 WeakPolarHBondContact CD-O 3.44Å
260	R	93.3	Very high	88.1	Confident	64 Å²	64	61.7 Å²	61.7	24%	0.242	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-47.1	177.4	-63.6	-176	-66.9	100.9	5.1	114.1	L222 H258 K262 K263 E326	L222-R260 HydrophobicContact CD2-CB 3.78Å; H258-R260 VanDerWaalsContact C-N 3.27Å; H258-R260 PolarHBondContact ND1-N 3.06Å; H258-R260 PolarHBondContact O-N 3.28Å; R260-K262 PolarHBondContact O-N 3.45Å; R260-K263 PolarHBondContact O-N 3.19Å; R260-E326 IonicContact CZ-OE1 2.84Å; R260-E326 IonicContact CZ-OE2 3.58Å; R260-E326 VanDerWaalsContact NE-CD 3.35Å; R260-E326 IonicContact NE-OE1 2.74Å; R260-E326 PolarHBondContact NE-OE1 3.43Å; R260-E326 IonicContact NE-OE2 2.74Å; R260-E326 PolarHBondContact NE-OE2 2.85Å; R260-E326 IonicContact NH2-OE1 2.75Å; R260-E326 IonicContact NH2-OE2 3.59Å; R260-E326 PolarHBondContact NH2-OE2 2.91Å
261	M	95.5	Very high	86.4	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-52.4	-52.7	-178	-168.3	-178.3	-76.1	0	0	111.9	L222 A224 Y254 A255 H258 K263 G264 G278 E308	L222-M261 HydrophobicContact CD1-CB 4.43Å; L222-M261 HydrophobicContact CD1-CE 3.85Å; L222-M261 HydrophobicContact CD2-CB 4.2Å; L222-M261 HydrophobicContact CG-CB 4.05Å; L222-M261 HydrophobicContact CG-CE 4.22Å; L222-M261 HydrophobicContact CG-CG 4.29Å; A224-M261 HydrophobicContact CB-SD 4.09Å; Y254-M261 HydrophobicContact CD1-CE 4.2Å; Y254-M261 HydrophobicContact CD1-SD 3.94Å; Y254-M261 HydrophobicContact CE1-CE 4.09Å; Y254-M261 HydrophobicContact CE1-SD 4.4Å; A255-M261 HydrophobicContact CB-CG 3.92Å; A255-M261 HydrophobicContact CB-SD 3.78Å; H258-M261 HydrophobicContact CB-CB 3.76Å; H258-M261 PolarHBondContact ND1-N 3.09Å; H258-M261 VanDerWaalsContact ND1-N 3.16Å; H258-M261 PolarHBondContact O-N 3.16Å; M261-K263 PolarHBondContact O-N 3.36Å; M261-G264 PolarHBondContact O-N 3.31Å; M261-G278 WeakPolarHBondContact CG-O 2.93Å; M261-G278 WeakPolarHBondContact O-CA 3.26Å; M261-G278 PolarHBondContact O-N 2.99Å; M261-E308 WeakPolarHBondContact CE-O 3.23Å
262	K	93.2	Very high	84.8	Confident	66 Å²	66	71.4 Å²	71.4	29%	0.287	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-52.7	-33.4	178.1	-178.7	51.1	170	-174.2	0	114.1	A255 D256 H258 R260 G264 D277	A255-K262 WeakPolarHBondContact O-CB 3.17Å; A255-K262 PolarHBondContact O-N 3.03Å; D256-K262 WeakPolarHBondContact OD1-CD 3.41Å; D256-K262 WeakPolarHBondContact OD1-CE 3.26Å; D256-K262 IonicContact OD1-NZ 2.68Å; D256-K262 PolarHBondContact OD1-NZ 3.28Å; H258-K262 PolarHBondContact O-N 3.04Å; R260-K262 PolarHBondContact O-N 3.45Å; K262-G264 PolarHBondContact O-N 3.21Å; K262-D277 WeakPolarHBondContact CE-OD1 3.33Å; K262-D277 IonicContact NZ-OD1 3.64Å; K262-D277 PolarHBondContact NZ-OD1 3.31Å
263	K	90.2	Very high	83.6	Confident	140 Å²	140	71.7 Å²	71.7	61%	0.609	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-78.7	-5.9	-177	-58.1	-178.9	-179.6	175.8	0	112.6	P259 R260 M261 I265	P259-K263 WeakPolarHBondContact O-CD 3.48Å; P259-K263 VanDerWaalsContact O-CE 3.3Å; P259-K263 WeakPolarHBondContact O-CE 3.39Å; R260-K263 PolarHBondContact O-N 3.19Å; M261-K263 PolarHBondContact O-N 3.36Å; K263-I265 HydrophobicContact CB-CB 4.15Å; K263-I265 HydrophobicContact CB-CD1 3.58Å; K263-I265 HydrophobicContact CB-CG1 3.58Å; K263-I265 HydrophobicContact CD-CD1 3.69Å; K263-I265 HydrophobicContact CG-CD1 4.28Å; K263-I265 PolarHBondContact O-N 3.49Å; K263-I265 VanDerWaalsContact O-N 3.14Å
264	G	83.5	Confident	82.8	Confident	10 Å²	10	77.2 Å²	77.2	10%	0.103	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	18.6	-167.9	0	0	0	0	0	112.6	M261 K262 K266 H274 F275	M261-G264 PolarHBondContact O-N 3.31Å; K262-G264 PolarHBondContact O-N 3.21Å; G264-K266 PolarHBondContact O-N 3.09Å; G264-H274 PolarHBondContact O-ND1 3.05Å; G264-F275 WeakPolarHBondContact CA-O 3.44Å
265	I	72.7	Confident	82.4	Confident	100 Å²	100	78 Å²	78	51%	0.513	38%	0.377	S	S	.	.			trans	-89.4	106.9	-176.5	-63.7	173.7	0	0	0	108.7	K263	K263-I265 HydrophobicContact CB-CB 4.15Å; K263-I265 HydrophobicContact CB-CD1 3.58Å; K263-I265 HydrophobicContact CB-CG1 3.58Å; K263-I265 HydrophobicContact CD-CD1 3.69Å; K263-I265 HydrophobicContact CG-CD1 4.28Å; K263-I265 PolarHBondContact O-N 3.49Å; K263-I265 VanDerWaalsContact O-N 3.14Å
266	K	71.8	Confident	82	Confident	34 Å²	34	83.2 Å²	83.2	15%	0.148	40%	0.404	C	S	.	.			trans	-137.2	151.6	166.4	70.4	-179.8	-165.6	121.9	0	110.5	D221 L222 G264 S271 N273 F275	D221-K266 WeakPolarHBondContact OD1-CD 3.46Å; D221-K266 WeakPolarHBondContact OD1-CE 3.3Å; D221-K266 IonicContact OD1-NZ 3.51Å; D221-K266 PolarHBondContact OD1-NZ 2.92Å; D221-K266 IonicContact OD2-NZ 2.68Å; D221-K266 PolarHBondContact OD2-NZ 2.95Å; L222-K266 HydrophobicContact CB-CB 4.47Å; G264-K266 PolarHBondContact O-N 3.09Å; K266-S271 PolarHBondContact NZ-O 2.63Å; K266-S271 PolarHBondContact NZ-OG 3.29Å; K266-N273 WeakPolarHBondContact CE-O 3.5Å; K266-F275 HydrophobicContact CD-CD2 4.47Å; K266-F275 HydrophobicContact CD-CE2 4.41Å
267	K	67.2	Low	81.8	Confident	204 Å²	204	83.2 Å²	83.2	89%	0.887	40%	0.404	S	S	*	.			trans	-124.9	79.1	161.8	-72.1	-171.8	178.9	-175	0	106.5
268	C	76	Confident	81.7	Confident	15 Å²	15	80.7 Å²	80.7	10%	0.101	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-84.4	138.5	168.3	-55.9	0	0	0	0	107.4	D270 C311	C268-D270 PolarHBondContact O-N 3.1Å; C268-C311 WeakPolarHBondContact CA-SG 3.23Å; C268-C311 HydrophobicContact CB-CB 3.67Å; C268-C311 WeakPolarHBondContact CB-SG 3.4Å; C268-C311 PolarHBondContact N-SG 2.79Å; C268-C311 VanDerWaalsContact N-SG 3.41Å; C268-C311 WeakPolarHBondContact SG-CB 3.48Å; C268-C311 CovalentContact SG-SG 2.04Å; C268-C311 PolarHBondContact SG-SG 2.89Å
269	Y	65.2	Low	81.7	Confident	231 Å²	231	81.7 Å²	81.7	91%	0.906	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.6	-175.6	-72.5	-82.6	0	0	0	112.9
270	D	63.1	Low	81.8	Confident	162 Å²	162	78.6 Å²	78.6	87%	0.866	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	4.7	-166.3	-56.3	-41.1	0	0	0	114.9	C268	C268-D270 PolarHBondContact O-N 3.1Å
271	S	62.6	Low	82	Confident	31 Å²	31	75.6 Å²	75.6	22%	0.217	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-155.4	130.3	175.1	61.3	0	0	0	0	115	K266 N273	K266-S271 PolarHBondContact NZ-O 2.63Å; K266-S271 PolarHBondContact NZ-OG 3.29Å; S271-N273 WeakPolarHBondContact CB-ND2 3.31Å; S271-N273 PolarHBondContact O-N 2.59Å; S271-N273 PolarHBondContact OG-ND2 3.36Å
272	D	64.6	Low	82.1	Confident	172 Å²	172	75.6 Å²	75.6	92%	0.92	37%	0.368	S	S	*	.			trans	-78	16.8	167.9	-69.9	-30.5	0	0	0	112.5	H274	D272-H274 PolarHBondContact O-N 3.47Å; D272-H274 VanDerWaalsContact O-N 3.1Å
273	N	74.1	Confident	82.3	Confident	62 Å²	62	72.5 Å²	72.5	33%	0.332	35%	0.354	S	S	.	.			trans	-57.4	120.9	-178.2	-66	-28.4	0	0	0	109.6	K266 S271 F275 W285	K266-N273 WeakPolarHBondContact CE-O 3.5Å; S271-N273 WeakPolarHBondContact CB-ND2 3.31Å; S271-N273 PolarHBondContact O-N 2.59Å; S271-N273 PolarHBondContact OG-ND2 3.36Å; N273-F275 HydrophobicContact CB-CE1 4.29Å; N273-F275 HydrophobicContact CB-CE2 3.85Å; N273-F275 HydrophobicContact CB-CZ 3.69Å; N273-W285 PolarHBondContact ND2-NE1 2.74Å
274	H	82	Confident	82.5	Confident	125 Å²	125	73 Å²	73	58%	0.579	35%	0.352	S	S	*	.			trans	-105.3	113.1	171.8	-170.8	64.2	0	0	0	109	G264 D272 N276	G264-H274 PolarHBondContact O-ND1 3.05Å; D272-H274 PolarHBondContact O-N 3.47Å; D272-H274 VanDerWaalsContact O-N 3.1Å; H274-N276 PolarHBondContact CD2-OD1 3.06Å
275	F	90.6	Very high	83	Confident	16 Å²	16	74.7 Å²	74.7	7%	0.07	36%	0.356	C	S	.	.			trans	-96.3	101.8	176.4	-57.7	-65.6	0	0	0	108.9	D221 V223 G264 K266 N273 D277 G278 T280 W285	D221-F275 WeakPolarHBondContact OD1-CE2 3.39Å; V223-F275 HydrophobicContact CB-CB 4.36Å; V223-F275 HydrophobicContact CB-CD1 4.42Å; V223-F275 HydrophobicContact CB-CD2 3.59Å; V223-F275 HydrophobicContact CB-CE2 3.86Å; V223-F275 HydrophobicContact CB-CG 3.87Å; V223-F275 HydrophobicContact CB-CZ 4.38Å; V223-F275 HydrophobicContact CG1-CD2 4.15Å; V223-F275 HydrophobicContact CG1-CE2 3.9Å; V223-F275 HydrophobicContact CG1-CZ 4.09Å; V223-F275 HydrophobicContact CG2-CB 3.77Å; V223-F275 HydrophobicContact CG2-CD1 3.82Å; V223-F275 HydrophobicContact CG2-CD2 3.81Å; V223-F275 HydrophobicContact CG2-CE1 4.32Å; V223-F275 HydrophobicContact CG2-CE2 4.31Å; V223-F275 HydrophobicContact CG2-CG 3.52Å; G264-F275 WeakPolarHBondContact CA-O 3.44Å; K266-F275 HydrophobicContact CD-CD2 4.47Å; K266-F275 HydrophobicContact CD-CE2 4.41Å; N273-F275 HydrophobicContact CB-CE1 4.29Å; N273-F275 HydrophobicContact CB-CE2 3.85Å; N273-F275 HydrophobicContact CB-CZ 3.69Å; F275-D277 PolarHBondContact O-N 3.11Å; F275-G278 PolarHBondContact O-N 2.85Å; F275-T280 HydrophobicContact CD1-CG2 4.14Å; F275-T280 HydrophobicContact CE1-CG2 3.94Å; F275-W285 HydrophobicContact CE1-CD2 4.23Å; F275-W285 HydrophobicContact CE1-CG 4.14Å; F275-W285 AromaticContact CZ-CD2 3.98Å; F275-W285 HydrophobicContact CZ-CD2 3.98Å; F275-W285 AromaticContact CZ-CE2 3.69Å; F275-W285 HydrophobicContact CZ-CG 4.27Å; F275-W285 HydrophobicContact CZ-CZ2 4.06Å; F275-W285 AromaticContact CZ-NE1 3.79Å
276	N	88.7	Confident	84	Confident	109 Å²	109	73.8 Å²	73.8	58%	0.583	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-53.6	134.9	173.2	-68.6	-11.4	0	0	0	109.2	H274 G278 I279	H274-N276 PolarHBondContact CD2-OD1 3.06Å; N276-G278 PolarHBondContact O-N 3.1Å; N276-I279 PolarHBondContact O-N 3.08Å
277	D	93.2	Very high	85.1	Confident	77 Å²	77	73.5 Å²	73.5	41%	0.412	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	57.7	7.8	-178.2	-66.1	-69	0	0	0	115.7	A255 K262 F275	A255-D277 WeakPolarHBondContact CB-O 3.43Å; K262-D277 WeakPolarHBondContact CE-OD1 3.33Å; K262-D277 IonicContact NZ-OD1 3.64Å; K262-D277 PolarHBondContact NZ-OD1 3.31Å; F275-D277 PolarHBondContact O-N 3.11Å
278	G	95.9	Very high	86.4	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	75.8	19.5	-177.5	0	0	0	0	0	114.6	V223 A224 M261 F275 N276	V223-G278 WeakPolarHBondContact CG2-O 3.24Å; A224-G278 PolarHBondContact N-O 2.89Å; M261-G278 WeakPolarHBondContact CG-O 2.93Å; M261-G278 WeakPolarHBondContact O-CA 3.26Å; M261-G278 PolarHBondContact O-N 2.99Å; F275-G278 PolarHBondContact O-N 2.85Å; N276-G278 PolarHBondContact O-N 3.1Å
279	I	97.2	Very high	87.3	Confident	23 Å²	23	67.1 Å²	67.1	12%	0.118	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	158	-179.5	71	174.7	0	0	0	112.2	V223 A224 Y226 V248 A251 E252 A255 N276	V223-I279 VanDerWaalsContact CG2-C 3.48Å; A224-I279 HydrophobicContact CB-CG2 4.34Å; A224-I279 CarbonylContact O-C 3.51Å; A224-I279 VanDerWaalsContact O-CA 3.24Å; A224-I279 WeakPolarHBondContact O-CA 3.47Å; Y226-I279 HydrophobicContact CD1-CB 4.44Å; Y226-I279 HydrophobicContact CE1-CB 4.18Å; Y226-I279 HydrophobicContact CE1-CD1 4Å; Y226-I279 HydrophobicContact CE1-CG1 4.17Å; V248-I279 HydrophobicContact CG1-CD1 3.91Å; A251-I279 HydrophobicContact CB-CB 4.07Å; A251-I279 HydrophobicContact CB-CG2 3.68Å; E252-I279 HydrophobicContact CG-CD1 3.86Å; E252-I279 HydrophobicContact CG-CG2 4.1Å; A255-I279 HydrophobicContact CB-CG2 4.05Å; N276-I279 PolarHBondContact O-N 3.08Å
280	T	96.9	Very high	88.8	Confident	9 Å²	9	56.4 Å²	56.4	6%	0.055	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	145.3	169.5	-168.5	0	0	0	0	112	V223 A224 N225 Y226 F275 W285	V223-T280 HydrophobicContact CG1-CG2 4.19Å; V223-T280 HydrophobicContact CG2-CG2 3.65Å; A224-T280 PolarHBondContact O-N 3.25Å; N225-T280 CarbonylContact C-O 3.55Å; N225-T280 VanDerWaalsContact CA-O 3.29Å; N225-T280 WeakPolarHBondContact CA-O 3.05Å; N225-T280 HydrophobicContact CB-CG2 4.13Å; Y226-T280 WeakPolarHBondContact CD1-O 3.5Å; Y226-T280 WeakPolarHBondContact CE1-O 3.41Å; Y226-T280 PolarHBondContact N-O 3.26Å; F275-T280 HydrophobicContact CD1-CG2 4.14Å; F275-T280 HydrophobicContact CE1-CG2 3.94Å; T280-W285 HydrophobicContact CG2-CB 4.18Å; T280-W285 HydrophobicContact CG2-CD2 4.47Å; T280-W285 HydrophobicContact CG2-CE3 4.09Å
281	N	97.6	Very high	90.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	135.8	159.8	174	-101.9	0	0	0	108.8	Y226 P227 F228 E238 S239 A283 R284 W285	Y226-N281 HydrophobicContact CD2-CB 4.4Å; Y226-N281 HydrophobicContact CE2-CB 3.72Å; Y226-N281 WeakPolarHBondContact O-CA 3.24Å; P227-N281 PolarHBondContact O-ND2 3.29Å; P227-N281 VanDerWaalsContact O-ND2 3.08Å; F228-N281 PolarHBondContact N-ND2 3.48Å; E238-N281 WeakPolarHBondContact CA-OD1 3.42Å; E238-N281 HydrophobicContact CG-CB 4.3Å; S239-N281 PolarHBondContact N-OD1 2.59Å; S239-N281 PolarHBondContact O-ND2 3.11Å; N281-A283 PolarHBondContact OD1-N 3.37Å; N281-R284 HydrophobicContact CB-CB 3.88Å; N281-R284 WeakPolarHBondContact O-CB 3.41Å; N281-R284 PolarHBondContact O-N 3.32Å; N281-R284 PolarHBondContact OD1-N 2.71Å; N281-W285 PolarHBondContact O-N 2.96Å; N281-W285 VanDerWaalsContact O-N 3.17Å
282	G	97.6	Very high	92.2	Very high	2 Å²	2	47.3 Å²	47.3	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-52	-175	0	0	0	0	0	113.5	N225 Y226 D229 R284 W285 Y286	N225-G282 WeakPolarHBondContact OD1-CA 3.32Å; N225-G282 PolarHBondContact OD1-N 3.41Å; Y226-G282 PolarHBondContact O-N 3.26Å; D229-G282 WeakPolarHBondContact OD1-CA 3.42Å; G282-R284 PolarHBondContact O-N 3.33Å; G282-W285 WeakPolarHBondContact O-CA 3.42Å; G282-W285 WeakPolarHBondContact O-CB 3.41Å; G282-W285 PolarHBondContact O-N 3.09Å; G282-Y286 CarbonylContact O-C 3.49Å; G282-Y286 PolarHBondContact O-N 3.08Å
283	A	97.1	Very high	93.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-30	179.2	0	0	0	0	0	113.2	F228 D229 S236 A237 N281 W285	F228-A283 VanDerWaalsContact O-CB 3.26Å; F228-A283 WeakPolarHBondContact O-CB 3.17Å; F228-A283 PolarHBondContact O-N 2.71Å; D229-A283 WeakPolarHBondContact O-CA 3.32Å; D229-A283 WeakPolarHBondContact O-CB 3.47Å; S236-A283 CarbonylContact C-O 3.54Å; S236-A283 VanDerWaalsContact CA-O 3.29Å; S236-A283 WeakPolarHBondContact CA-O 3.34Å; A237-A283 PolarHBondContact N-O 3Å; A237-A283 CarbonylContact O-C 3.05Å; A237-A283 WeakPolarHBondContact O-CB 3.31Å; A237-A283 VanDerWaalsContact O-O 3.13Å; N281-A283 PolarHBondContact OD1-N 3.37Å; A283-W285 VanDerWaalsContact C-N 3.34Å
284	R	96	Very high	95	Very high	151 Å²	151	36.4 Å²	36.4	57%	0.57	17%	0.174	S	C	*	.	H	α-helix	trans	-63	-41.2	172.1	-178.2	-174	175.3	96.2	6.1	111.3	A237 E238 N281 G282	A237-R284 PolarHBondContact O-N 2.74Å; E238-R284 HydrophobicContact CB-CB 4.22Å; E238-R284 IonicContact OE1-NH1 3.89Å; N281-R284 HydrophobicContact CB-CB 3.88Å; N281-R284 WeakPolarHBondContact O-CB 3.41Å; N281-R284 PolarHBondContact O-N 3.32Å; N281-R284 PolarHBondContact OD1-N 2.71Å; G282-R284 PolarHBondContact O-N 3.33Å
285	W	94	Very high	95.8	Very high	46 Å²	46	30.6 Å²	30.6	17%	0.174	15%	0.147	C	C	.	.	H	α-helix	trans	-69.9	-61.4	176.9	-174.1	17.8	0	0	0	110	D221 V223 S236 N273 F275 T280 N281 G282 A283 E308	D221-W285 HydrophobicContact CB-CH2 3.65Å; D221-W285 HydrophobicContact CB-CZ2 3.85Å; D221-W285 WeakPolarHBondContact OD2-CZ2 3.47Å; V223-W285 HydrophobicContact CG1-CE3 4.49Å; V223-W285 HydrophobicContact CG1-CH2 4.35Å; V223-W285 HydrophobicContact CG1-CZ3 4.05Å; S236-W285 PolarHBondContact OG-O 2.92Å; N273-W285 PolarHBondContact ND2-NE1 2.74Å; F275-W285 HydrophobicContact CE1-CD2 4.23Å; F275-W285 HydrophobicContact CE1-CG 4.14Å; F275-W285 AromaticContact CZ-CD2 3.98Å; F275-W285 HydrophobicContact CZ-CD2 3.98Å; F275-W285 AromaticContact CZ-CE2 3.69Å; F275-W285 HydrophobicContact CZ-CG 4.27Å; F275-W285 HydrophobicContact CZ-CZ2 4.06Å; F275-W285 AromaticContact CZ-NE1 3.79Å; T280-W285 HydrophobicContact CG2-CB 4.18Å; T280-W285 HydrophobicContact CG2-CD2 4.47Å; T280-W285 HydrophobicContact CG2-CE3 4.09Å; N281-W285 PolarHBondContact O-N 2.96Å; N281-W285 VanDerWaalsContact O-N 3.17Å; G282-W285 WeakPolarHBondContact O-CA 3.42Å; G282-W285 WeakPolarHBondContact O-CB 3.41Å; G282-W285 PolarHBondContact O-N 3.09Å; A283-W285 VanDerWaalsContact C-N 3.34Å; W285-E308 HydrophobicContact CH2-CG 3.97Å; W285-E308 HydrophobicContact CZ3-CG 3.89Å
286	Y	92.6	Very high	96.2	Very high	80 Å²	80	29.9 Å²	29.9	31%	0.314	14%	0.144	S	C	.	.			trans	-159.6	142.2	167.8	57.5	-90.9	0	0	0	110.7	G282 L288	G282-Y286 CarbonylContact O-C 3.49Å; G282-Y286 PolarHBondContact O-N 3.08Å; Y286-L288 HydrophobicContact CE2-CB 4.41Å; Y286-L288 HydrophobicContact CE2-CD1 4.27Å
287	S	95.5	Very high	96.7	Very high	28 Å²	28	24.7 Å²	24.7	20%	0.196	12%	0.116	C	C	.	.			trans	-72.2	132.9	-179.9	-158.7	0	0	0	0	111.4	D229 S231 G234	D229-S287 CarbonylContact O-C 3.32Å; D229-S287 WeakPolarHBondContact O-CA 3.46Å; S231-S287 PolarHBondContact N-OG 2.89Å; S231-S287 WeakPolarHBondContact OG-CB 3.4Å; S231-S287 PolarHBondContact OG-OG 2.9Å; G234-S287 VanDerWaalsContact C-CB 3.49Å; G234-S287 WeakPolarHBondContact CA-OG 3.44Å; G234-S287 WeakPolarHBondContact O-CB 3.26Å
288	L	94	Very high	96.9	Very high	5 Å²	5	21 Å²	21	3%	0.026	10%	0.097	C	C	.	.			trans	-132.5	138.2	-176.2	168.3	167.9	0	0	0	110	D229 K230 Y286	D229-L288 HydrophobicContact CB-CB 4.12Å; D229-L288 HydrophobicContact CB-CD2 3.98Å; D229-L288 HydrophobicContact CB-CG 4.44Å; D229-L288 PolarHBondContact O-N 2.9Å; K230-L288 WeakPolarHBondContact CA-O 3.49Å; K230-L288 VanDerWaalsContact CB-O 3.23Å; K230-L288 WeakPolarHBondContact CB-O 3.25Å; K230-L288 PolarHBondContact N-O 3.17Å; Y286-L288 HydrophobicContact CE2-CB 4.41Å; Y286-L288 HydrophobicContact CE2-CD1 4.27Å
289	N	95.6	Very high	97	Very high	80 Å²	80	21.5 Å²	21.5	43%	0.428	10%	0.099	S	C	.	.	S	Bend	trans	-108.5	144	178.5	-56.3	-29.9	0	0	0	110.2	R163 K230 G291	R163-N289 VanDerWaalsContact CD-O 3.23Å; R163-N289 WeakPolarHBondContact CD-O 3.5Å; K230-N289 VanDerWaalsContact NZ-CG 3.35Å; K230-N289 PolarHBondContact NZ-OD1 3.01Å; N289-G291 VanDerWaalsContact C-N 3.32Å; N289-G291 PolarHBondContact O-N 2.89Å
290	G	96.8	Very high	97.1	Very high	6 Å²	6	21.1 Å²	21.1	6%	0.062	10%	0.098	C	C	.	.	S	Bend	trans	65.7	34.9	174.8	0	0	0	0	0	113.6	N162 R163 D164 F165	N162-G290 CarbonylContact C-O 3.59Å; R163-G290 CarbonylContact C-O 3.6Å; R163-G290 VanDerWaalsContact C-O 3.31Å; R163-G290 WeakPolarHBondContact CA-O 3.3Å; D164-G290 PolarHBondContact N-O 2.9Å; F165-G290 WeakPolarHBondContact CB-O 3.3Å; F165-G290 PolarHBondContact N-O 3.47Å; F165-G290 VanDerWaalsContact N-O 3.11Å; F165-G290 WeakPolarHBondContact O-CA 3.29Å
291	G	97.8	Very high	97.2	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.021	10%	0.098	C	C	.	.			trans	-82	147.8	177.3	0	0	0	0	0	112.7	N162 N289 Q293 Y295	N162-G291 WeakPolarHBondContact OD1-CA 3.45Å; N289-G291 VanDerWaalsContact C-N 3.32Å; N289-G291 PolarHBondContact O-N 2.89Å; G291-Q293 VanDerWaalsContact C-N 3.32Å; G291-Q293 PolarHBondContact O-N 2.95Å; G291-Y295 WeakPolarHBondContact O-CB 3.48Å; G291-Y295 PolarHBondContact O-N 2.81Å; G291-Y295 VanDerWaalsContact O-N 3.16Å
292	M	98.6	Very high	97.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.3	-37.9	179.4	-170.2	167.8	65	0	0	112.1	I87 M90 M134 N162 F165 V202 N216 Y295 N296 E304	I87-M292 HydrophobicContact CD1-CE 4.08Å; I87-M292 HydrophobicContact CD1-SD 3.94Å; I87-M292 HydrophobicContact CG2-CE 3.56Å; M90-M292 HydrophobicContact CE-CB 4.28Å; M90-M292 HydrophobicContact CE-CE 4.41Å; M90-M292 HydrophobicContact CE-SD 4.5Å; M90-M292 HydrophobicContact SD-CE 3.77Å; M134-M292 HydrophobicContact SD-SD 4.01Å; N162-M292 PolarHBondContact OD1-N 3.41Å; F165-M292 HydrophobicContact CD2-CB 3.83Å; F165-M292 HydrophobicContact CD2-CG 4.34Å; F165-M292 HydrophobicContact CE1-CB 4.41Å; F165-M292 HydrophobicContact CE1-CG 3.9Å; F165-M292 HydrophobicContact CE1-SD 4.44Å; F165-M292 HydrophobicContact CE2-CB 3.45Å; F165-M292 VanDerWaalsContact CE2-CB 3.45Å; F165-M292 HydrophobicContact CE2-CG 3.64Å; F165-M292 HydrophobicContact CE2-SD 3.92Å; F165-M292 HydrophobicContact CG-CB 4.46Å; F165-M292 HydrophobicContact CZ-CB 3.78Å; F165-M292 HydrophobicContact CZ-CG 3.38Å; F165-M292 HydrophobicContact CZ-SD 3.53Å; F165-M292 VanDerWaalsContact CZ-SD 3.53Å; V202-M292 HydrophobicContact CG1-SD 3.97Å; N216-M292 HydrophobicContact CB-CE 3.13Å; M292-Y295 PolarHBondContact O-N 2.75Å; M292-N296 WeakPolarHBondContact CG-ND2 3.41Å; M292-N296 PolarHBondContact O-N 3.24Å; M292-N296 PolarHBondContact O-ND2 3.36Å; M292-E304 WeakPolarHBondContact CG-OE1 3.23Å
293	Q	98.6	Very high	97.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.6	-52.5	-178.8	-171.5	-170.8	-103.4	0	0	111.8	N225 P227 D229 G291 Y295 N296 Y297 E304 T306	N225-Q293 PolarHBondContact ND2-NE2 2.88Å; N225-Q293 PolarHBondContact ND2-OE1 2.84Å; N225-Q293 PolarHBondContact O-OE1 3.24Å; P227-Q293 HydrophobicContact CB-CG 4.3Å; P227-Q293 HydrophobicContact CG-CG 4.41Å; P227-Q293 VanDerWaalsContact N-NE2 3.19Å; D229-Q293 PolarHBondContact OD1-NE2 3.46Å; D229-Q293 PolarHBondContact OD2-NE2 2.87Å; G291-Q293 VanDerWaalsContact C-N 3.32Å; G291-Q293 PolarHBondContact O-N 2.95Å; Q293-Y295 VanDerWaalsContact C-N 3.33Å; Q293-Y295 PolarHBondContact O-N 3.15Å; Q293-N296 PolarHBondContact O-N 3.48Å; Q293-Y297 PolarHBondContact O-N 2.82Å; Q293-E304 WeakPolarHBondContact CG-O 3.3Å; Q293-T306 PolarHBondContact OE1-OG1 3.21Å
294	D	98.6	Very high	97.4	Very high	6 Å²	6	21.1 Å²	21.1	3%	0.032	10%	0.097	C	C	.	.	H	α-helix	trans	-66.2	-36.7	178.4	-73.1	6.2	0	0	0	111.4	A169 F228 D229 K230 L298	A169-D294 HydrophobicContact CB-CB 4.48Å; F228-D294 WeakPolarHBondContact CA-OD1 3.41Å; F228-D294 HydrophobicContact CD1-CB 4.29Å; D229-D294 PolarHBondContact N-OD1 3.26Å; D229-D294 PolarHBondContact N-OD2 3.49Å; D229-D294 VanDerWaalsContact N-OD2 3.11Å; K230-D294 PolarHBondContact N-OD2 2.83Å; D294-L298 VanDerWaalsContact O-CB 3.3Å; D294-L298 WeakPolarHBondContact O-CB 3.47Å; D294-L298 WeakPolarHBondContact O-CG 3.46Å; D294-L298 PolarHBondContact O-N 3.09Å
295	Y	98.8	Very high	97.5	Very high	3 Å²	3	14 Å²	14	1%	0.012	7%	0.07	C	C	.	.	H	α-helix	trans	-62.2	-48.4	176.4	-179.5	-90.2	0	0	0	111.7	F165 P166 L168 P187 M203 L206 G291 M292 Q293 Y297 L298 H299	F165-Y295 HydrophobicContact CB-CD2 4.27Å; F165-Y295 HydrophobicContact CB-CG 4.2Å; F165-Y295 AromaticContact CD1-CD1 3.69Å; F165-Y295 HydrophobicContact CD1-CD1 3.69Å; F165-Y295 HydrophobicContact CD1-CD2 4.24Å; F165-Y295 HydrophobicContact CD1-CE1 4.21Å; F165-Y295 AromaticContact CD1-CG 3.71Å; F165-Y295 HydrophobicContact CD1-CG 3.71Å; F165-Y295 HydrophobicContact CE1-CD1 4.16Å; F165-Y295 HydrophobicContact CG-CG 4.33Å; P166-Y295 HydrophobicContact CB-CD2 4.3Å; P166-Y295 HydrophobicContact CB-CE2 4.17Å; P166-Y295 HydrophobicContact CG-CD2 4.36Å; P166-Y295 HydrophobicContact CG-CE2 3.93Å; L168-Y295 HydrophobicContact CD1-CD2 3.58Å; L168-Y295 HydrophobicContact CD1-CE2 3.83Å; L168-Y295 HydrophobicContact CD1-CG 4.34Å; L168-Y295 HydrophobicContact CG-CD2 3.98Å; L168-Y295 HydrophobicContact CG-CE2 4.38Å; P187-Y295 HydrophobicContact CB-CE2 4.37Å; P187-Y295 HydrophobicContact CG-CE2 4.44Å; M203-Y295 HydrophobicContact CB-CE1 4.4Å; M203-Y295 HydrophobicContact CG-CE1 3.79Å; M203-Y295 HydrophobicContact CG-CE2 4.45Å; M203-Y295 WeakPolarHBondContact CG-OH 3.47Å; M203-Y295 HydrophobicContact SD-CE1 4.48Å; M203-Y295 HydrophobicContact SD-CE2 4.1Å; L206-Y295 HydrophobicContact CD1-CD1 3.84Å; L206-Y295 HydrophobicContact CD1-CE1 3.78Å; G291-Y295 WeakPolarHBondContact O-CB 3.48Å; G291-Y295 PolarHBondContact O-N 2.81Å; G291-Y295 VanDerWaalsContact O-N 3.16Å; M292-Y295 PolarHBondContact O-N 2.75Å; Q293-Y295 VanDerWaalsContact C-N 3.33Å; Q293-Y295 PolarHBondContact O-N 3.15Å; Y295-Y297 VanDerWaalsContact C-N 3.35Å; Y295-Y297 PolarHBondContact O-N 3.34Å; Y295-L298 PolarHBondContact O-N 3.5Å; Y295-H299 HydrophobicContact CD1-CB 4.35Å; Y295-H299 HydrophobicContact CE1-CB 4.1Å; Y295-H299 AromaticContact CE1-CD2 3.75Å; Y295-H299 HydrophobicContact CE2-CB 4.27Å; Y295-H299 AromaticContact CZ-CD2 3.48Å; Y295-H299 VanDerWaalsContact CZ-CD2 3.48Å; Y295-H299 AromaticContact CZ-CG 3.8Å; Y295-H299 WeakPolarHBondContact O-CB 3.5Å; Y295-H299 PolarHBondContact O-N 2.92Å; Y295-H299 PolarHBondContact OH-CD2 3.49Å; Y295-H299 PolarHBondContact OH-NE2 2.97Å
296	N	98.7	Very high	97.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-53.5	-52.3	177.5	-89	-89.2	0	0	0	111.6	K85 L206 M292 Q293 T300 S302 E304	K85-N296 VanDerWaalsContact CE-OD1 3.24Å; K85-N296 WeakPolarHBondContact CE-OD1 3.27Å; K85-N296 PolarHBondContact NZ-OD1 2.95Å; L206-N296 WeakPolarHBondContact CD1-OD1 3.36Å; L206-N296 WeakPolarHBondContact CG-OD1 3.34Å; M292-N296 WeakPolarHBondContact CG-ND2 3.41Å; M292-N296 PolarHBondContact O-N 3.24Å; M292-N296 PolarHBondContact O-ND2 3.36Å; Q293-N296 PolarHBondContact O-N 3.48Å; N296-T300 PolarHBondContact O-N 3.39Å; N296-T300 VanDerWaalsContact O-N 3.13Å; N296-T300 PolarHBondContact O-OG1 3.09Å; N296-S302 CarbonylContact C-O 3.55Å; N296-E304 HydrophobicContact CB-CB 3.7Å; N296-E304 VanDerWaalsContact ND2-CD 3.27Å; N296-E304 PolarHBondContact ND2-OE1 3.04Å; N296-E304 PolarHBondContact ND2-OE2 3.16Å
297	Y	98.8	Very high	98.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-70.6	-33.4	-176.4	178	-116.4	0	0	0	112.9	F228 T241 D243 F247 Q293 Y295 S302 F303 H378	F228-Y297 AromaticContact CE1-CD1 3.77Å; F228-Y297 HydrophobicContact CE1-CD1 3.77Å; F228-Y297 HydrophobicContact CE1-CE1 4.13Å; F228-Y297 HydrophobicContact CZ-CD1 4.05Å; F228-Y297 AromaticContact CZ-CE1 3.93Å; F228-Y297 HydrophobicContact CZ-CE1 3.93Å; T241-Y297 HydrophobicContact CG2-CD1 4.17Å; T241-Y297 HydrophobicContact CG2-CE1 3.85Å; D243-Y297 HydrophobicContact CB-CE2 4.28Å; D243-Y297 WeakPolarHBondContact CB-OH 3.45Å; D243-Y297 PolarHBondContact N-OH 3.15Å; D243-Y297 PolarHBondContact OD2-OH 3.15Å; F247-Y297 HydrophobicContact CE2-CD1 4.21Å; F247-Y297 AromaticContact CE2-CD2 3.68Å; F247-Y297 HydrophobicContact CE2-CD2 3.68Å; F247-Y297 HydrophobicContact CE2-CE1 4.14Å; F247-Y297 AromaticContact CE2-CE2 3.56Å; F247-Y297 HydrophobicContact CE2-CE2 3.56Å; F247-Y297 AromaticContact CE2-CG 3.99Å; F247-Y297 HydrophobicContact CE2-CG 3.99Å; F247-Y297 AromaticContact CE2-CZ 3.82Å; F247-Y297 HydrophobicContact CZ-CD1 4.39Å; F247-Y297 AromaticContact CZ-CD2 3.54Å; F247-Y297 HydrophobicContact CZ-CD2 3.54Å; F247-Y297 AromaticContact CZ-CE2 3.93Å; F247-Y297 HydrophobicContact CZ-CE2 3.93Å; F247-Y297 AromaticContact CZ-CG 3.79Å; F247-Y297 HydrophobicContact CZ-CG 3.79Å; Q293-Y297 PolarHBondContact O-N 2.82Å; Y295-Y297 VanDerWaalsContact C-N 3.35Å; Y295-Y297 PolarHBondContact O-N 3.34Å; Y297-S302 WeakPolarHBondContact CA-O 3.23Å; Y297-S302 PolarHBondContact N-O 2.97Å; Y297-F303 HydrophobicContact CE2-CD1 4.48Å; Y297-F303 HydrophobicContact CE2-CE1 4.13Å; Y297-F303 HydrophobicContact CE2-CZ 4.15Å; Y297-H378 AromaticContact CD2-CE1 3.98Å; Y297-H378 HydrophobicContact CE2-CB 4.37Å; Y297-H378 AromaticContact CE2-CD2 3.69Å; Y297-H378 AromaticContact CE2-CE1 3.8Å; Y297-H378 AromaticContact CE2-CG 3.63Å; Y297-H378 AromaticContact CE2-ND1 3.67Å; Y297-H378 AromaticContact CE2-NE2 3.8Å; Y297-H378 AromaticContact CZ-CG 3.61Å; Y297-H378 AromaticContact CZ-ND1 3.63Å; Y297-H378 PolarHBondContact O-CE1 3.01Å; Y297-H378 VanDerWaalsContact OH-CB 3.24Å; Y297-H378 WeakPolarHBondContact OH-CB 3.4Å
298	L	98.6	Very high	98.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-88.6	-25.9	-177.7	-70.6	172.3	0	0	0	113.9	L168 A169 F172 H184 L185 F228 D294 Y295	L168-L298 VanDerWaalsContact C-CD1 3.47Å; L168-L298 HydrophobicContact CB-CB 3.84Å; L168-L298 HydrophobicContact CB-CD1 3.9Å; L168-L298 HydrophobicContact CD1-CB 4.17Å; A169-L298 VanDerWaalsContact CA-CD1 3.46Å; A169-L298 HydrophobicContact CB-CD1 3.98Å; A169-L298 VanDerWaalsContact N-CD1 3.34Å; F172-L298 HydrophobicContact CB-CD1 4.07Å; F172-L298 HydrophobicContact CB-CD2 4.07Å; F172-L298 HydrophobicContact CD2-CD2 3.66Å; F172-L298 HydrophobicContact CE2-CD2 4.37Å; F172-L298 HydrophobicContact CG-CD2 4.02Å; H184-L298 CarbonylContact C-O 3.51Å; H184-L298 WeakPolarHBondContact CA-O 3.44Å; H184-L298 PolarHBondContact N-O 3.39Å; L185-L298 HydrophobicContact CD1-CB 4.28Å; L185-L298 HydrophobicContact CD1-CD2 4.32Å; L185-L298 PolarHBondContact N-O 3.34Å; F228-L298 HydrophobicContact CD1-CD1 4.46Å; F228-L298 HydrophobicContact CE1-CD1 3.69Å; F228-L298 HydrophobicContact CE1-CD2 3.82Å; F228-L298 HydrophobicContact CE1-CG 3.73Å; F228-L298 HydrophobicContact CZ-CD1 4.3Å; F228-L298 HydrophobicContact CZ-CD2 3.8Å; F228-L298 HydrophobicContact CZ-CG 4.25Å; D294-L298 VanDerWaalsContact O-CB 3.3Å; D294-L298 WeakPolarHBondContact O-CB 3.47Å; D294-L298 WeakPolarHBondContact O-CG 3.46Å; D294-L298 PolarHBondContact O-N 3.09Å; Y295-L298 PolarHBondContact O-N 3.5Å
299	H	98.7	Very high	98.3	Very high	10 Å²	10	7.1 Å²	7.1	5%	0.046	4%	0.04	C	C	.	.	H	α-helix	trans	-90.3	-32.4	-178	-168.5	44.8	0	0	0	113.1	L168 H184 L185 P187 D207 Y295	L168-H299 HydrophobicContact CD1-CB 3.56Å; H184-H299 WeakPolarHBondContact CA-O 3.39Å; L185-H299 PolarHBondContact O-ND1 3.24Å; P187-H299 WeakPolarHBondContact CD-CE1 3.49Å; D207-H299 IonicContact OD1-CD2 3.94Å; D207-H299 IonicContact OD1-NE2 2.76Å; D207-H299 PolarHBondContact OD1-NE2 3.25Å; D207-H299 VanDerWaalsContact OD1-NE2 3.12Å; Y295-H299 HydrophobicContact CD1-CB 4.35Å; Y295-H299 HydrophobicContact CE1-CB 4.1Å; Y295-H299 AromaticContact CE1-CD2 3.75Å; Y295-H299 HydrophobicContact CE2-CB 4.27Å; Y295-H299 AromaticContact CZ-CD2 3.48Å; Y295-H299 VanDerWaalsContact CZ-CD2 3.48Å; Y295-H299 AromaticContact CZ-CG 3.8Å; Y295-H299 WeakPolarHBondContact O-CB 3.5Å; Y295-H299 PolarHBondContact O-N 2.92Å; Y295-H299 PolarHBondContact OH-CD2 3.49Å; Y295-H299 PolarHBondContact OH-NE2 2.97Å
300	T	98.6	Very high	98.2	Very high	16 Å²	16	3.4 Å²	3.4	10%	0.098	2%	0.02	C	C	.	.	S	Bend	trans	-131.6	-176.5	-168.8	76	0	0	0	0	111.5	L206 N296 S302	L206-T300 HydrophobicContact CB-CG2 4.11Å; L206-T300 HydrophobicContact CG-CG2 4.46Å; N296-T300 PolarHBondContact O-N 3.39Å; N296-T300 VanDerWaalsContact O-N 3.13Å; N296-T300 PolarHBondContact O-OG1 3.09Å; T300-S302 PolarHBondContact O-N 2.85Å; T300-S302 VanDerWaalsContact OG1-CB 3.22Å; T300-S302 WeakPolarHBondContact OG1-CB 3.37Å; T300-S302 PolarHBondContact OG1-N 3.19Å
301	N	98.7	Very high	97.9	Very high	11 Å²	11	4.9 Å²	4.9	6%	0.059	3%	0.029	C	C	.	.	S	Bend	trans	-73.8	-7	168.9	-69.7	-38.6	0	0	0	114	H184 N210 F211 F303 I380 N381	H184-N301 PolarHBondContact CE1-OD1 2.66Å; H184-N301 VanDerWaalsContact CE1-OD1 3.29Å; H184-N301 PolarHBondContact NE2-OD1 2.78Å; N210-N301 PolarHBondContact OD1-ND2 2.89Å; F211-N301 CarbonylContact O-C 3.54Å; N301-F303 WeakPolarHBondContact O-CD2 3.37Å; N301-F303 PolarHBondContact O-N 2.95Å; N301-I380 HydrophobicContact CB-CD1 4.04Å; N301-I380 WeakPolarHBondContact OD1-CA 3.36Å; N301-I380 WeakPolarHBondContact OD1-CD1 3.32Å; N301-I380 WeakPolarHBondContact OD1-CG2 3.17Å; N301-N381 PolarHBondContact ND2-O 3.3Å; N301-N381 PolarHBondContact OD1-N 3.33Å
302	S	98.7	Very high	97.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.			trans	-79.5	118.6	-166.3	-173.7	0	0	0	0	112.4	K85 F211 N296 Y297 T300 E304	K85-S302 PolarHBondContact NZ-OG 3.5Å; F211-S302 WeakPolarHBondContact O-CA 3.42Å; F211-S302 VanDerWaalsContact O-CB 3.32Å; F211-S302 WeakPolarHBondContact O-CB 3.16Å; F211-S302 PolarHBondContact O-N 2.97Å; N296-S302 CarbonylContact C-O 3.55Å; Y297-S302 WeakPolarHBondContact CA-O 3.23Å; Y297-S302 PolarHBondContact N-O 2.97Å; T300-S302 PolarHBondContact O-N 2.85Å; T300-S302 VanDerWaalsContact OG1-CB 3.22Å; T300-S302 WeakPolarHBondContact OG1-CB 3.37Å; T300-S302 PolarHBondContact OG1-N 3.19Å; S302-E304 PolarHBondContact O-N 3.34Å
303	F	98.9	Very high	97.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	113.4	167.2	-71.6	-115.2	0	0	0	108	V212 L213 G214 D243 T246 F247 L250 Y297 N301 I380 L391	V212-F303 PolarHBondContact O-N 3.41Å; L213-F303 CarbonylContact C-O 3.56Å; L213-F303 WeakPolarHBondContact CA-O 3.46Å; L213-F303 HydrophobicContact CD1-CB 4Å; L213-F303 WeakPolarHBondContact CD1-O 3.37Å; G214-F303 PolarHBondContact N-O 3.01Å; D243-F303 HydrophobicContact CB-CE1 3.6Å; D243-F303 HydrophobicContact CB-CZ 4.15Å; T246-F303 HydrophobicContact CG2-CD1 4.26Å; T246-F303 HydrophobicContact CG2-CE1 4Å; F247-F303 HydrophobicContact CD1-CD1 4.4Å; F247-F303 HydrophobicContact CD2-CD1 4.25Å; F247-F303 HydrophobicContact CD2-CE1 4.49Å; F247-F303 HydrophobicContact CE1-CB 3.96Å; F247-F303 AromaticContact CE1-CD1 3.84Å; F247-F303 HydrophobicContact CE1-CD1 3.84Å; F247-F303 HydrophobicContact CE1-CG 4.32Å; F247-F303 AromaticContact CE2-CD1 3.69Å; F247-F303 HydrophobicContact CE2-CD1 3.69Å; F247-F303 AromaticContact CE2-CE1 3.99Å; F247-F303 HydrophobicContact CE2-CE1 3.99Å; F247-F303 HydrophobicContact CZ-CB 4.07Å; F247-F303 AromaticContact CZ-CD1 3.46Å; F247-F303 HydrophobicContact CZ-CD1 3.46Å; F247-F303 VanDerWaalsContact CZ-CD1 3.46Å; F247-F303 HydrophobicContact CZ-CE1 4.2Å; F247-F303 HydrophobicContact CZ-CG 4.01Å; L250-F303 HydrophobicContact CD1-CB 4Å; L250-F303 HydrophobicContact CD1-CD1 4.11Å; L250-F303 HydrophobicContact CD1-CG 4.45Å; Y297-F303 HydrophobicContact CE2-CD1 4.48Å; Y297-F303 HydrophobicContact CE2-CE1 4.13Å; Y297-F303 HydrophobicContact CE2-CZ 4.15Å; N301-F303 WeakPolarHBondContact O-CD2 3.37Å; N301-F303 PolarHBondContact O-N 2.95Å; F303-I380 HydrophobicContact CE2-CD1 4.23Å; F303-L391 HydrophobicContact CB-CD1 3.9Å; F303-L391 HydrophobicContact CD1-CD1 4.35Å; F303-L391 HydrophobicContact CD2-CD1 3.94Å; F303-L391 HydrophobicContact CD2-CG 4.27Å; F303-L391 HydrophobicContact CG-CD1 3.81Å; F303-L391 HydrophobicContact CZ-CB 4.49Å
304	E	98.7	Very high	97.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.3	176.4	-165.8	169.9	88.9	0	0	111.3	K85 G214 N216 F247 M292 Q293 N296 S302	K85-E304 WeakPolarHBondContact CE-OE2 3.26Å; K85-E304 IonicContact NZ-OE2 3.7Å; G214-E304 VanDerWaalsContact O-CA 3.32Å; G214-E304 WeakPolarHBondContact O-CA 3.3Å; N216-E304 PolarHBondContact ND2-OE1 3.32Å; F247-E304 WeakPolarHBondContact CE1-O 3.45Å; M292-E304 WeakPolarHBondContact CG-OE1 3.23Å; Q293-E304 WeakPolarHBondContact CG-O 3.3Å; N296-E304 HydrophobicContact CB-CB 3.7Å; N296-E304 VanDerWaalsContact ND2-CD 3.27Å; N296-E304 PolarHBondContact ND2-OE1 3.04Å; N296-E304 PolarHBondContact ND2-OE2 3.16Å; S302-E304 PolarHBondContact O-N 3.34Å
305	I	98.9	Very high	97	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	159.1	167.6	76.9	175.8	0	0	0	110.1	G214 A215 N216 N225 F247 L250 L307 Y334	G214-I305 PolarHBondContact O-N 3.29Å; A215-I305 CarbonylContact C-O 3.54Å; A215-I305 WeakPolarHBondContact CA-O 3.36Å; A215-I305 HydrophobicContact CB-CG1 3.85Å; A215-I305 WeakPolarHBondContact CB-O 3.23Å; N216-I305 PolarHBondContact N-O 2.92Å; N216-I305 PolarHBondContact ND2-O 3.27Å; N225-I305 WeakPolarHBondContact O-CB 3.32Å; F247-I305 HydrophobicContact CD1-CG2 3.96Å; F247-I305 HydrophobicContact CE1-CG2 4.33Å; L250-I305 HydrophobicContact CB-CG2 4.45Å; I305-L307 HydrophobicContact CD1-CD2 3.76Å; I305-L307 HydrophobicContact CD1-CG 4.43Å; I305-L307 HydrophobicContact CG1-CD2 4.18Å; I305-L307 HydrophobicContact CG1-CG 4.35Å; I305-Y334 HydrophobicContact CD1-CD2 4.1Å; I305-Y334 HydrophobicContact CD1-CE2 3.3Å; I305-Y334 HydrophobicContact CG1-CE2 3.96Å; I305-Y334 WeakPolarHBondContact CG1-OH 3.46Å
306	T	98.8	Very high	96.8	Very high	5 Å²	5	17.4 Å²	17.4	3%	0.031	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.4	174.8	-64.8	0	0	0	0	109.7	N216 H218 N225 Q293	N216-T306 PolarHBondContact ND2-OG1 2.91Å; N216-T306 CarbonylContact O-C 3.06Å; N216-T306 WeakPolarHBondContact O-CA 3.49Å; N216-T306 WeakPolarHBondContact OD1-CB 3.25Å; N216-T306 WeakPolarHBondContact OD1-CG2 3.46Å; N216-T306 PolarHBondContact OD1-OG1 3.18Å; H218-T306 HydrophobicContact CB-CG2 4.39Å; N225-T306 WeakPolarHBondContact CA-O 3.31Å; N225-T306 HydrophobicContact CB-CG2 4.28Å; N225-T306 WeakPolarHBondContact CB-O 3.42Å; N225-T306 PolarHBondContact N-O 2.94Å; N225-T306 PolarHBondContact O-N 3.24Å; Q293-T306 PolarHBondContact OE1-OG1 3.21Å
307	L	98.8	Very high	96.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	111.1	-178.4	-64.3	173.4	0	0	0	110.2	Y86 A215 N216 M217 H218 A224 Y254 I305 L309	Y86-L307 HydrophobicContact CE1-CD1 4.38Å; A215-L307 HydrophobicContact CB-CD1 3.66Å; A215-L307 HydrophobicContact CB-CG 4Å; N216-L307 PolarHBondContact O-N 2.04Å; M217-L307 HydrophobicContact CE-CD1 4.38Å; M217-L307 HydrophobicContact CG-CB 4.42Å; M217-L307 HydrophobicContact CG-CD1 4.38Å; H218-L307 PolarHBondContact N-O 3.38Å; A224-L307 HydrophobicContact CB-CD2 3.93Å; Y254-L307 HydrophobicContact CD1-CD2 3.66Å; Y254-L307 HydrophobicContact CD2-CD1 3.69Å; Y254-L307 HydrophobicContact CD2-CD2 3.95Å; Y254-L307 HydrophobicContact CD2-CG 4.49Å; Y254-L307 HydrophobicContact CE1-CD1 4.32Å; Y254-L307 HydrophobicContact CE1-CD2 4.08Å; Y254-L307 HydrophobicContact CE2-CD1 3.46Å; Y254-L307 VanDerWaalsContact CE2-CD1 3.46Å; Y254-L307 HydrophobicContact CE2-CD2 4.33Å; Y254-L307 HydrophobicContact CG-CD1 4.22Å; Y254-L307 HydrophobicContact CG-CD2 3.6Å; I305-L307 HydrophobicContact CD1-CD2 3.76Å; I305-L307 HydrophobicContact CD1-CG 4.43Å; I305-L307 HydrophobicContact CG1-CD2 4.18Å; I305-L307 HydrophobicContact CG1-CG 4.35Å; L307-L309 HydrophobicContact CB-CD2 4.07Å
308	E	97.4	Very high	96.6	Very high	10 Å²	10	21.4 Å²	21.4	5%	0.047	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	112.5	171.4	-62.9	-68.2	170.5	0	0	108.9	H218 G219 D221 L222 V223 M261 W285	H218-E308 VanDerWaalsContact CB-CD 3.48Å; H218-E308 WeakPolarHBondContact CB-OE1 3.43Å; H218-E308 WeakPolarHBondContact CB-OE2 3.43Å; G219-E308 WeakPolarHBondContact CA-OE2 3.04Å; G219-E308 PolarHBondContact N-OE2 2.62Å; D221-E308 HydrophobicContact CB-CB 4.14Å; D221-E308 HydrophobicContact CB-CG 4.3Å; D221-E308 CarbonylContact O-C 3.19Å; D221-E308 VanDerWaalsContact O-C 3.32Å; D221-E308 WeakPolarHBondContact O-CB 3.48Å; L222-E308 WeakPolarHBondContact CA-O 3.42Å; V223-E308 HydrophobicContact CG1-CB 3.86Å; V223-E308 HydrophobicContact CG1-CG 3.78Å; V223-E308 PolarHBondContact N-O 3.39Å; V223-E308 WeakPolarHBondContact O-CB 3.43Å; V223-E308 PolarHBondContact O-N 3.08Å; M261-E308 WeakPolarHBondContact CE-O 3.23Å; W285-E308 HydrophobicContact CH2-CG 3.97Å; W285-E308 HydrophobicContact CZ3-CG 3.89Å
309	L	97.2	Very high	96.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-6.5	-164.6	-61.5	176.2	0	0	0	114.9	V96 L100 M217 H218 Y254 L307 Y323 N327	V96-L309 HydrophobicContact CB-CB 4.4Å; V96-L309 HydrophobicContact CB-CD1 4.4Å; V96-L309 HydrophobicContact CG1-CB 4.06Å; V96-L309 HydrophobicContact CG1-CD1 4.1Å; L100-L309 HydrophobicContact CD1-CD1 3.76Å; L100-L309 HydrophobicContact CD1-CD2 4.45Å; M217-L309 HydrophobicContact CB-CD1 3.82Å; M217-L309 HydrophobicContact CG-CD1 4.09Å; M217-L309 HydrophobicContact SD-CD1 3.97Å; H218-L309 PolarHBondContact O-N 3.33Å; H218-L309 VanDerWaalsContact O-N 3.07Å; Y254-L309 HydrophobicContact CE1-CD2 4.39Å; L307-L309 HydrophobicContact CB-CD2 4.07Å; L309-Y323 VanDerWaalsContact O-CE1 3.26Å; L309-Y323 WeakPolarHBondContact O-CE1 3.24Å; L309-N327 WeakPolarHBondContact CD2-OD1 3.48Å
310	G	94	Very high	96.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.132	C	C	.	.			trans	163.3	158	179.9	0	0	0	0	0	113.1	G220 D221 E312	G220-G310 PolarHBondContact N-O 2.89Å; D221-G310 PolarHBondContact N-O 2.95Å; D221-G310 CarbonylContact O-C 3.57Å; D221-G310 WeakPolarHBondContact O-CA 3.36Å; D221-G310 PolarHBondContact O-N 3.15Å; D221-G310 VanDerWaalsContact O-O 3.08Å; G310-E312 PolarHBondContact O-N 3.42Å
311	C	91	Very high	96.4	Very high	38 Å²	38	25.7 Å²	25.7	26%	0.257	14%	0.14	S	C	.	.	S	Bend	trans	-64	-40	-177.8	-54.7	0	0	0	0	113.3	G220 C268 K313	G220-C311 WeakPolarHBondContact CA-O 3.49Å; C268-C311 WeakPolarHBondContact CA-SG 3.23Å; C268-C311 HydrophobicContact CB-CB 3.67Å; C268-C311 WeakPolarHBondContact CB-SG 3.4Å; C268-C311 PolarHBondContact N-SG 2.79Å; C268-C311 VanDerWaalsContact N-SG 3.41Å; C268-C311 WeakPolarHBondContact SG-CB 3.48Å; C268-C311 CovalentContact SG-SG 2.04Å; C268-C311 PolarHBondContact SG-SG 2.89Å; C311-K313 PolarHBondContact O-N 3.02Å
312	E	92	Very high	96.3	Very high	100 Å²	100	29 Å²	29	47%	0.467	15%	0.152	S	C	.	.			trans	-83.5	113.1	-179.6	-166.4	175.6	-176.7	0	0	108.7	G310 F314 P315	G310-E312 PolarHBondContact O-N 3.42Å; E312-F314 VanDerWaalsContact C-N 3.33Å; E312-P315 HydrophobicContact CB-CB 4.22Å; E312-P315 HydrophobicContact CG-CB 4.03Å; E312-P315 WeakPolarHBondContact O-CD 3.35Å; E312-P315 WeakPolarHBondContact OE1-CA 3.25Å; E312-P315 WeakPolarHBondContact OE2-CB 3.39Å
313	K	93.8	Very high	96.2	Very high	44 Å²	44	29.3 Å²	29.3	19%	0.191	15%	0.153	C	C	.	.	S	Bend	trans	-66	-37.3	-178.1	-65.5	-174.6	169.7	178.5	0	112.4	D93 E94 V95 G219 C311	D93-K313 CarbonylContact O-C 3.38Å; D93-K313 WeakPolarHBondContact O-CB 3.46Å; D93-K313 WeakPolarHBondContact OD2-CD 3.24Å; D93-K313 IonicContact OD2-NZ 3.41Å; E94-K313 WeakPolarHBondContact CA-O 3.25Å; E94-K313 HydrophobicContact CG-CB 4.13Å; E94-K313 HydrophobicContact CG-CD 3.95Å; E94-K313 HydrophobicContact CG-CG 3.99Å; E94-K313 IonicContact OE1-NZ 2.75Å; V95-K313 PolarHBondContact N-O 2.79Å; G219-K313 WeakPolarHBondContact O-CE 3.42Å; C311-K313 PolarHBondContact O-N 3.02Å
314	F	94.5	Very high	96.2	Very high	26 Å²	26	30.5 Å²	30.5	11%	0.114	16%	0.158	C	C	.	.	S	Bend	trans	-127.2	67	-178.3	-147.4	-51.6	0	0	0	111.6	H25 V95 A142 A143 K146 E312	H25-F314 AromaticContact CE1-CE1 3.76Å; H25-F314 AromaticContact CG-CE1 3.83Å; H25-F314 AromaticContact ND1-CE1 3.58Å; V95-F314 HydrophobicContact CG1-CD1 4.21Å; V95-F314 HydrophobicContact CG1-CD2 3.4Å; V95-F314 HydrophobicContact CG1-CE1 4.09Å; V95-F314 HydrophobicContact CG1-CE2 3.27Å; V95-F314 HydrophobicContact CG1-CG 3.88Å; V95-F314 HydrophobicContact CG1-CZ 3.63Å; V95-F314 HydrophobicContact CG2-CD1 3.89Å; V95-F314 HydrophobicContact CG2-CD2 4.43Å; V95-F314 HydrophobicContact CG2-CE1 4.13Å; V95-F314 HydrophobicContact CG2-CG 4.04Å; A142-F314 HydrophobicContact CB-CD2 4.09Å; A142-F314 HydrophobicContact CB-CE2 3.86Å; A143-F314 HydrophobicContact CB-CE2 4.34Å; A143-F314 HydrophobicContact CB-CZ 4.01Å; K146-F314 HydrophobicContact CD-CD1 4.33Å; K146-F314 HydrophobicContact CD-CE1 3.97Å; K146-F314 HydrophobicContact CD-CZ 4.46Å; K146-F314 HydrophobicContact CG-CD1 4.23Å; K146-F314 HydrophobicContact CG-CE1 4.01Å; K146-F314 HydrophobicContact CG-CZ 4.17Å; E312-F314 VanDerWaalsContact C-N 3.33Å
315	P	94.1	Very high	96.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.186	C	C	.	.			trans	-66	161	-175.7	30.5	-34.7	0	0	0	112.5	H25 V96 E312 A317 E319 Y323	H25-P315 PolarHBondContact CE1-O 2.97Å; H25-P315 PolarHBondContact NE2-O 3.1Å; V96-P315 HydrophobicContact CG2-CG 3.62Å; E312-P315 HydrophobicContact CB-CB 4.22Å; E312-P315 HydrophobicContact CG-CB 4.03Å; E312-P315 WeakPolarHBondContact O-CD 3.35Å; E312-P315 WeakPolarHBondContact OE1-CA 3.25Å; E312-P315 WeakPolarHBondContact OE2-CB 3.39Å; P315-A317 PolarHBondContact O-N 2.9Å; P315-E319 HydrophobicContact CB-CB 4.33Å; P315-Y323 HydrophobicContact CB-CE2 3.83Å; P315-Y323 HydrophobicContact CG-CD2 4.26Å; P315-Y323 HydrophobicContact CG-CE2 3.58Å
316	N	94.7	Very high	96.1	Very high	103 Å²	103	36.9 Å²	36.9	55%	0.551	19%	0.191	S	C	*	.			trans	-58	140.9	170.6	-168.5	-62.3	0	0	0	110.2	S318 E319	N316-S318 VanDerWaalsContact CG-OG 3.29Å; N316-S318 PolarHBondContact O-N 3.5Å; N316-S318 WeakPolarHBondContact OD1-CB 3.28Å; N316-S318 PolarHBondContact OD1-N 2.95Å; N316-S318 PolarHBondContact OD1-OG 3.22Å; N316-E319 WeakPolarHBondContact O-CB 3.17Å; N316-E319 PolarHBondContact O-N 3.43Å
317	A	95.6	Very high	96.1	Very high	6 Å²	6	36.6 Å²	36.6	5%	0.05	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-57.2	-28.1	-179.3	0	0	0	0	0	113	W22 Q23 P315 E319 L320	W22-A317 CarbonylContact O-C 3.4Å; W22-A317 VanDerWaalsContact O-O 3.07Å; Q23-A317 WeakPolarHBondContact O-CB 3.29Å; P315-A317 PolarHBondContact O-N 2.9Å; A317-E319 PolarHBondContact O-N 3.12Å; A317-L320 HydrophobicContact CB-CD1 4.14Å; A317-L320 VanDerWaalsContact O-CB 3.26Å; A317-L320 WeakPolarHBondContact O-CB 3.48Å; A317-L320 WeakPolarHBondContact O-CG 3.35Å; A317-L320 PolarHBondContact O-N 2.75Å; A317-L320 VanDerWaalsContact O-N 3.08Å
318	S	96.3	Very high	96.1	Very high	77 Å²	77	39 Å²	39	54%	0.538	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-60.7	-20	173.6	56	0	0	0	0	114.7	N316 P321	N316-S318 VanDerWaalsContact CG-OG 3.29Å; N316-S318 PolarHBondContact O-N 3.5Å; N316-S318 WeakPolarHBondContact OD1-CB 3.28Å; N316-S318 PolarHBondContact OD1-N 2.95Å; N316-S318 PolarHBondContact OD1-OG 3.22Å; S318-P321 VanDerWaalsContact O-CD 3.32Å; S318-P321 WeakPolarHBondContact O-CD 3.36Å
319	E	96.4	Very high	96.1	Very high	71 Å²	71	42.7 Å²	42.7	33%	0.332	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-85.9	-16.5	176	-70	-68.9	117.2	0	0	113.1	P315 N316 A317 P321 R322 Y323	P315-E319 HydrophobicContact CB-CB 4.33Å; N316-E319 WeakPolarHBondContact O-CB 3.17Å; N316-E319 PolarHBondContact O-N 3.43Å; A317-E319 PolarHBondContact O-N 3.12Å; E319-P321 VanDerWaalsContact C-N 3.33Å; E319-R322 WeakPolarHBondContact O-CB 3.36Å; E319-R322 PolarHBondContact O-N 3.02Å; E319-R322 IonicContact OE2-CZ 3.01Å; E319-R322 VanDerWaalsContact OE2-CZ 3.28Å; E319-R322 IonicContact OE2-NE 2.81Å; E319-R322 PolarHBondContact OE2-NE 3.47Å; E319-R322 IonicContact OE2-NH2 3.72Å; E319-R322 PolarHBondContact OE2-NH2 2.98Å; E319-Y323 HydrophobicContact CB-CD2 4.28Å; E319-Y323 HydrophobicContact CB-CE2 4.14Å; E319-Y323 WeakPolarHBondContact O-CD2 3.47Å; E319-Y323 PolarHBondContact O-N 3.13Å
320	L	97.6	Very high	96.2	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-55.6	-37.2	-178.1	-65.8	174.9	0	0	0	113.9	W22 E99 A317 R322 Y323 W324	W22-L320 HydrophobicContact CE3-CB 3.61Å; W22-L320 HydrophobicContact CZ3-CB 3.76Å; W22-L320 WeakPolarHBondContact CZ3-O 3.44Å; E99-L320 HydrophobicContact CB-CD1 4.31Å; E99-L320 HydrophobicContact CB-CD2 3.88Å; E99-L320 HydrophobicContact CG-CD1 3.91Å; E99-L320 HydrophobicContact CG-CD2 3.92Å; A317-L320 HydrophobicContact CB-CD1 4.14Å; A317-L320 VanDerWaalsContact O-CB 3.26Å; A317-L320 WeakPolarHBondContact O-CB 3.48Å; A317-L320 WeakPolarHBondContact O-CG 3.35Å; A317-L320 PolarHBondContact O-N 2.75Å; A317-L320 VanDerWaalsContact O-N 3.08Å; L320-R322 VanDerWaalsContact C-N 3.27Å; L320-R322 PolarHBondContact O-N 3.14Å; L320-Y323 PolarHBondContact O-N 3.01Å; L320-W324 PolarHBondContact O-N 2.87Å
321	P	97.7	Very high	96.4	Very high	41 Å²	41	42.6 Å²	42.6	27%	0.266	22%	0.217	S	C	.	.	H	α-helix	trans	-58.6	-37.2	174	-24.3	33.7	0	0	0	113.3	W22 S318 E319 N325	W22-P321 HydrophobicContact CB-CG 4.18Å; W22-P321 HydrophobicContact CD2-CB 4.46Å; W22-P321 HydrophobicContact CD2-CG 3.71Å; W22-P321 HydrophobicContact CE3-CB 4.29Å; W22-P321 HydrophobicContact CE3-CG 3.61Å; W22-P321 HydrophobicContact CG-CG 3.98Å; W22-P321 HydrophobicContact CZ3-CB 4.35Å; W22-P321 HydrophobicContact CZ3-CG 4.14Å; S318-P321 VanDerWaalsContact O-CD 3.32Å; S318-P321 WeakPolarHBondContact O-CD 3.36Å; E319-P321 VanDerWaalsContact C-N 3.33Å; P321-N325 WeakPolarHBondContact O-CB 3.26Å; P321-N325 VanDerWaalsContact O-CG 3.28Å; P321-N325 PolarHBondContact O-N 2.95Å; P321-N325 PolarHBondContact O-ND2 3.25Å; P321-N325 VanDerWaalsContact O-ND2 3.11Å
322	R	96.7	Very high	96.8	Very high	80 Å²	80	40.9 Å²	40.9	30%	0.302	21%	0.206	S	C	.	.	H	α-helix	trans	-65.7	-50.8	175.8	180	-177.8	58.5	72.4	-1.9	110.2	E319 L320 W324 N325 E326	E319-R322 WeakPolarHBondContact O-CB 3.36Å; E319-R322 PolarHBondContact O-N 3.02Å; E319-R322 IonicContact OE2-CZ 3.01Å; E319-R322 VanDerWaalsContact OE2-CZ 3.28Å; E319-R322 IonicContact OE2-NE 2.81Å; E319-R322 PolarHBondContact OE2-NE 3.47Å; E319-R322 IonicContact OE2-NH2 3.72Å; E319-R322 PolarHBondContact OE2-NH2 2.98Å; L320-R322 VanDerWaalsContact C-N 3.27Å; L320-R322 PolarHBondContact O-N 3.14Å; R322-W324 VanDerWaalsContact C-N 3.29Å; R322-W324 PolarHBondContact O-N 3Å; R322-N325 PolarHBondContact O-N 3.42Å; R322-E326 HydrophobicContact CG-CG 4.39Å; R322-E326 IonicContact NH1-OE1 3.28Å; R322-E326 IonicContact NH1-OE2 3.58Å; R322-E326 PolarHBondContact NH1-OE2 2.89Å; R322-E326 VanDerWaalsContact O-CG 3.32Å; R322-E326 WeakPolarHBondContact O-CG 3.2Å; R322-E326 PolarHBondContact O-N 2.81Å
323	Y	97.7	Very high	97.1	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-56.3	-43.8	177.4	-78.5	-71.6	0	0	0	112.1	V96 L309 P315 E319 L320 E326 N327	V96-Y323 HydrophobicContact CG1-CD1 3.73Å; V96-Y323 HydrophobicContact CG1-CD2 4.4Å; V96-Y323 HydrophobicContact CG1-CE1 4.34Å; V96-Y323 HydrophobicContact CG1-CG 3.77Å; V96-Y323 HydrophobicContact CG2-CD1 4.42Å; V96-Y323 HydrophobicContact CG2-CD2 4.3Å; V96-Y323 HydrophobicContact CG2-CE1 4.32Å; V96-Y323 HydrophobicContact CG2-CE2 4.19Å; V96-Y323 HydrophobicContact CG2-CG 4.41Å; L309-Y323 VanDerWaalsContact O-CE1 3.26Å; L309-Y323 WeakPolarHBondContact O-CE1 3.24Å; P315-Y323 HydrophobicContact CB-CE2 3.83Å; P315-Y323 HydrophobicContact CG-CD2 4.26Å; P315-Y323 HydrophobicContact CG-CE2 3.58Å; E319-Y323 HydrophobicContact CB-CD2 4.28Å; E319-Y323 HydrophobicContact CB-CE2 4.14Å; E319-Y323 WeakPolarHBondContact O-CD2 3.47Å; E319-Y323 PolarHBondContact O-N 3.13Å; L320-Y323 PolarHBondContact O-N 3.01Å; Y323-E326 PolarHBondContact O-N 2.85Å; Y323-N327 WeakPolarHBondContact O-CB 3.35Å; Y323-N327 PolarHBondContact O-N 3.34Å; Y323-N327 PolarHBondContact O-ND2 3Å
324	W	98.3	Very high	97.4	Very high	26 Å²	26	34.2 Å²	34.2	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-60.2	-49	175.9	173.1	-111.4	0	0	0	112.5	W22 L100 R103 L104 Y107 L320 R322 E326 N327 K328 L331	W22-W324 HydrophobicContact CH2-CB 3.58Å; W22-W324 AromaticContact CH2-CD1 3.93Å; W22-W324 AromaticContact CH2-CG 3.78Å; W22-W324 HydrophobicContact CH2-CG 3.78Å; W22-W324 HydrophobicContact CZ3-CB 4.05Å; L100-W324 HydrophobicContact CD2-CB 4.18Å; L100-W324 HydrophobicContact CD2-CE3 3.97Å; R103-W324 HydrophobicContact CB-CD2 4.25Å; R103-W324 HydrophobicContact CB-CE3 3.78Å; R103-W324 HydrophobicContact CB-CH2 4.17Å; R103-W324 HydrophobicContact CB-CZ3 3.74Å; L104-W324 HydrophobicContact CB-CH2 4.41Å; L104-W324 HydrophobicContact CB-CZ3 4.27Å; Y107-W324 HydrophobicContact CD2-CZ2 4.13Å; Y107-W324 HydrophobicContact CG-CH2 4.24Å; Y107-W324 HydrophobicContact CG-CZ2 4.04Å; L320-W324 PolarHBondContact O-N 2.87Å; R322-W324 VanDerWaalsContact C-N 3.29Å; R322-W324 PolarHBondContact O-N 3Å; W324-E326 VanDerWaalsContact C-N 3.26Å; W324-E326 PolarHBondContact O-N 3.08Å; W324-N327 PolarHBondContact O-N 3.43Å; W324-K328 HydrophobicContact CD2-CB 4.34Å; W324-K328 HydrophobicContact CH2-CB 4.35Å; W324-K328 HydrophobicContact CH2-CD 4.33Å; W324-K328 HydrophobicContact CH2-CG 3.97Å; W324-K328 HydrophobicContact CZ2-CB 4.13Å; W324-K328 HydrophobicContact CZ2-CD 3.53Å; W324-K328 HydrophobicContact CZ2-CG 3.67Å; W324-K328 VanDerWaalsContact O-CB 3.3Å; W324-K328 WeakPolarHBondContact O-CB 3.3Å; W324-K328 PolarHBondContact O-N 2.84Å; W324-L331 HydrophobicContact CZ3-CD1 4.27Å
325	N	98.3	Very high	97.6	Very high	109 Å²	109	33 Å²	33	58%	0.583	17%	0.17	S	C	*	.	H	α-helix	trans	-63.3	-33.3	-179.7	-74.1	-31.6	0	0	0	112.7	P321 R322	P321-N325 WeakPolarHBondContact O-CB 3.26Å; P321-N325 VanDerWaalsContact O-CG 3.28Å; P321-N325 PolarHBondContact O-N 2.95Å; P321-N325 PolarHBondContact O-ND2 3.25Å; P321-N325 VanDerWaalsContact O-ND2 3.11Å; R322-N325 PolarHBondContact O-N 3.42Å
326	E	97.3	Very high	97.8	Very high	24 Å²	24	33 Å²	33	11%	0.112	17%	0.17	C	C	.	.	H	α-helix	trans	-74.8	-31	177.7	-70.2	172.4	155.2	0	0	113.2	P259 R260 R322 Y323 W324	P259-E326 WeakPolarHBondContact CD-O 3.44Å; R260-E326 IonicContact CZ-OE1 2.84Å; R260-E326 IonicContact CZ-OE2 3.58Å; R260-E326 VanDerWaalsContact NE-CD 3.35Å; R260-E326 IonicContact NE-OE1 2.74Å; R260-E326 PolarHBondContact NE-OE1 3.43Å; R260-E326 IonicContact NE-OE2 2.74Å; R260-E326 PolarHBondContact NE-OE2 2.85Å; R260-E326 IonicContact NH2-OE1 2.75Å; R260-E326 IonicContact NH2-OE2 3.59Å; R260-E326 PolarHBondContact NH2-OE2 2.91Å; R322-E326 HydrophobicContact CG-CG 4.39Å; R322-E326 IonicContact NH1-OE1 3.28Å; R322-E326 IonicContact NH1-OE2 3.58Å; R322-E326 PolarHBondContact NH1-OE2 2.89Å; R322-E326 VanDerWaalsContact O-CG 3.32Å; R322-E326 WeakPolarHBondContact O-CG 3.2Å; R322-E326 PolarHBondContact O-N 2.81Å; Y323-E326 PolarHBondContact O-N 2.85Å; W324-E326 VanDerWaalsContact C-N 3.26Å; W324-E326 PolarHBondContact O-N 3.08Å
327	N	98.5	Very high	98	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-102.5	-24.4	-172.5	-73.4	-83.9	0	0	0	114.3	L100 Y254 H258 L309 Y323 W324 M329 S330 L331	L100-N327 HydrophobicContact CD1-CB 3.7Å; L100-N327 HydrophobicContact CD2-CB 4.35Å; Y254-N327 PolarHBondContact OH-OD1 3.18Å; H258-N327 PolarHBondContact CD2-OD1 3.28Å; H258-N327 VanDerWaalsContact CD2-OD1 3.3Å; L309-N327 WeakPolarHBondContact CD2-OD1 3.48Å; Y323-N327 WeakPolarHBondContact O-CB 3.35Å; Y323-N327 PolarHBondContact O-N 3.34Å; Y323-N327 PolarHBondContact O-ND2 3Å; W324-N327 PolarHBondContact O-N 3.43Å; N327-M329 VanDerWaalsContact C-N 3.32Å; N327-M329 PolarHBondContact O-N 3.4Å; N327-M329 VanDerWaalsContact O-N 3.17Å; N327-S330 WeakPolarHBondContact O-CA 3.46Å; N327-S330 WeakPolarHBondContact O-CB 3.32Å; N327-S330 PolarHBondContact O-N 3.37Å; N327-L331 HydrophobicContact CB-CD1 4.26Å; N327-L331 HydrophobicContact CB-CG 4.46Å; N327-L331 WeakPolarHBondContact O-CG 3.28Å; N327-L331 PolarHBondContact O-N 3.25Å
328	K	98.5	Very high	98.1	Very high	50 Å²	50	28 Å²	28	22%	0.217	14%	0.143	C	C	.	.	H	α-helix	trans	-49.7	-48.3	-172.8	-179.1	-179.6	70	177.4	0	113.3	Y107 W324 L332	Y107-K328 HydrophobicContact CD2-CD 4.34Å; Y107-K328 HydrophobicContact CE2-CD 4.04Å; W324-K328 HydrophobicContact CD2-CB 4.34Å; W324-K328 HydrophobicContact CH2-CB 4.35Å; W324-K328 HydrophobicContact CH2-CD 4.33Å; W324-K328 HydrophobicContact CH2-CG 3.97Å; W324-K328 HydrophobicContact CZ2-CB 4.13Å; W324-K328 HydrophobicContact CZ2-CD 3.53Å; W324-K328 HydrophobicContact CZ2-CG 3.67Å; W324-K328 VanDerWaalsContact O-CB 3.3Å; W324-K328 WeakPolarHBondContact O-CB 3.3Å; W324-K328 PolarHBondContact O-N 2.84Å; K328-L332 HydrophobicContact CG-CD1 4.42Å; K328-L332 WeakPolarHBondContact O-CG 3.39Å; K328-L332 PolarHBondContact O-N 3.1Å
329	M	98.2	Very high	98.2	Very high	87 Å²	87	24.5 Å²	24.5	43%	0.429	12%	0.117	S	C	.	.	H	α-helix	trans	-74.4	-32.3	-179.1	-65.7	-55.5	-174.1	0	0	112.7	K257 N327 L332 N333 I421	K257-M329 HydrophobicContact CB-CB 4.47Å; N327-M329 VanDerWaalsContact C-N 3.32Å; N327-M329 PolarHBondContact O-N 3.4Å; N327-M329 VanDerWaalsContact O-N 3.17Å; M329-L332 HydrophobicContact SD-CD1 4.34Å; M329-N333 WeakPolarHBondContact O-CB 3.17Å; M329-N333 PolarHBondContact O-N 3.23Å; M329-I421 HydrophobicContact SD-CD1 3.8Å
330	S	98.7	Very high	98.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.5	-44.4	172.3	-62.5	0	0	0	0	112.1	Y254 K257 H258 N327 L332 N333 Y334	Y254-S330 VanDerWaalsContact O-CB 3.32Å; Y254-S330 WeakPolarHBondContact O-CB 3.48Å; Y254-S330 PolarHBondContact O-OG 3.1Å; K257-S330 WeakPolarHBondContact CB-OG 3.46Å; H258-S330 WeakPolarHBondContact CA-OG 3.3Å; H258-S330 WeakPolarHBondContact CB-OG 3.29Å; H258-S330 PolarHBondContact N-OG 3.16Å; N327-S330 WeakPolarHBondContact O-CA 3.46Å; N327-S330 WeakPolarHBondContact O-CB 3.32Å; N327-S330 PolarHBondContact O-N 3.37Å; S330-L332 PolarHBondContact O-N 3.2Å; S330-N333 PolarHBondContact O-N 3.01Å; S330-Y334 VanDerWaalsContact O-CB 3.25Å; S330-Y334 WeakPolarHBondContact O-CB 3.37Å; S330-Y334 PolarHBondContact O-N 3.44Å
331	L	98.9	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.6	-51.3	176.7	-68.8	166.2	0	0	0	111.2	Y86 L100 L104 M217 Y254 W324 N327 N333 Y334 I335	Y86-L331 HydrophobicContact CD2-CD2 4.39Å; Y86-L331 HydrophobicContact CE1-CD2 4.26Å; Y86-L331 HydrophobicContact CE2-CB 4.32Å; Y86-L331 HydrophobicContact CE2-CD2 3.75Å; Y86-L331 WeakPolarHBondContact OH-CA 3.2Å; Y86-L331 PolarHBondContact OH-O 3.48Å; L100-L331 HydrophobicContact CB-CD1 4.35Å; L104-L331 HydrophobicContact CD2-CB 4.44Å; M217-L331 HydrophobicContact CE-CD2 3.28Å; Y254-L331 HydrophobicContact CE2-CD2 3.98Å; Y254-L331 HydrophobicContact CE2-CG 4.25Å; W324-L331 HydrophobicContact CZ3-CD1 4.27Å; N327-L331 HydrophobicContact CB-CD1 4.26Å; N327-L331 HydrophobicContact CB-CG 4.46Å; N327-L331 WeakPolarHBondContact O-CG 3.28Å; N327-L331 PolarHBondContact O-N 3.25Å; L331-N333 PolarHBondContact O-N 2.84Å; L331-Y334 PolarHBondContact O-N 3.39Å; L331-I335 VanDerWaalsContact O-CG1 3.32Å; L331-I335 WeakPolarHBondContact O-CG1 3.42Å; L331-I335 PolarHBondContact O-N 2.96Å; L331-I335 VanDerWaalsContact O-N 3.09Å
332	L	98.8	Very high	98.4	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-65.8	-40.3	179.6	-64.3	171.3	0	0	0	112.5	L104 Y107 L108 F118 I119 L122 K328 M329 S330 Y334 L336 I421	L104-L332 HydrophobicContact CD1-CD2 4.03Å; Y107-L332 HydrophobicContact CD1-CD2 4.49Å; Y107-L332 HydrophobicContact CE1-CD1 3.66Å; Y107-L332 HydrophobicContact CE1-CD2 4.23Å; Y107-L332 HydrophobicContact CE1-CG 4.48Å; L108-L332 HydrophobicContact CD2-CD2 4.29Å; F118-L332 HydrophobicContact CE1-CB 4.21Å; F118-L332 HydrophobicContact CE1-CD1 4.47Å; F118-L332 HydrophobicContact CE1-CD2 4.39Å; F118-L332 HydrophobicContact CZ-CB 4.49Å; I119-L332 HydrophobicContact CD1-CD2 4.05Å; L122-L332 HydrophobicContact CD2-CD2 4.34Å; K328-L332 HydrophobicContact CG-CD1 4.42Å; K328-L332 WeakPolarHBondContact O-CG 3.39Å; K328-L332 PolarHBondContact O-N 3.1Å; M329-L332 HydrophobicContact SD-CD1 4.34Å; S330-L332 PolarHBondContact O-N 3.2Å; L332-Y334 VanDerWaalsContact C-N 3.31Å; L332-Y334 PolarHBondContact O-N 3.4Å; L332-L336 PolarHBondContact O-N 2.83Å; L332-I421 HydrophobicContact CB-CD1 3.74Å; L332-I421 HydrophobicContact CD1-CD1 4.29Å
333	N	98.8	Very high	98.5	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-67.6	-33.2	179.2	-170.6	72	0	0	0	112.5	S253 K257 M329 S330 L331 L336 Q337 S420 I421	S253-N333 PolarHBondContact O-ND2 3.42Å; K257-N333 HydrophobicContact CG-CB 3.78Å; M329-N333 WeakPolarHBondContact O-CB 3.17Å; M329-N333 PolarHBondContact O-N 3.23Å; S330-N333 PolarHBondContact O-N 3.01Å; L331-N333 PolarHBondContact O-N 2.84Å; N333-L336 WeakPolarHBondContact O-CB 3.41Å; N333-Q337 PolarHBondContact O-NE2 3.36Å; N333-Q337 VanDerWaalsContact O-NE2 3.09Å; N333-S420 WeakPolarHBondContact OD1-CA 3.44Å; N333-I421 HydrophobicContact CB-CB 4.18Å; N333-I421 HydrophobicContact CB-CG2 4.19Å; N333-I421 PolarHBondContact OD1-N 2.97Å
334	Y	98.9	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-75.5	-41.5	178.6	-175.3	-93	0	0	0	112.2	F84 Y86 L213 G214 A215 L250 S253 Y254 I305 S330 L331 L332 L336 Q337	F84-Y334 AromaticContact CE2-CD1 3.7Å; F84-Y334 HydrophobicContact CE2-CD1 3.7Å; F84-Y334 AromaticContact CE2-CE1 3.73Å; F84-Y334 HydrophobicContact CE2-CE1 3.73Å; F84-Y334 AromaticContact CZ-CD1 3.78Å; F84-Y334 HydrophobicContact CZ-CD1 3.78Å; F84-Y334 AromaticContact CZ-CE1 3.99Å; F84-Y334 HydrophobicContact CZ-CE1 3.99Å; Y86-Y334 AromaticContact CE1-CD1 3.82Å; Y86-Y334 HydrophobicContact CE1-CD1 3.82Å; Y86-Y334 HydrophobicContact CE1-CE1 4.26Å; Y86-Y334 AromaticContact CZ-CD1 3.89Å; Y86-Y334 WeakPolarHBondContact OH-CB 3.33Å; Y86-Y334 VanDerWaalsContact OH-CD1 3.3Å; Y86-Y334 WeakPolarHBondContact OH-CD1 3.41Å; L213-Y334 HydrophobicContact CD1-CE1 4.26Å; L213-Y334 VanDerWaalsContact CD1-OH 3.26Å; L213-Y334 WeakPolarHBondContact CD1-OH 3.49Å; L213-Y334 HydrophobicContact CD2-CE1 4.14Å; L213-Y334 WeakPolarHBondContact CD2-O 3.28Å; L213-Y334 HydrophobicContact CG-CE1 4.01Å; G214-Y334 PolarHBondContact O-OH 3.03Å; A215-Y334 HydrophobicContact CB-CD1 4.41Å; A215-Y334 HydrophobicContact CB-CE1 3.72Å; L250-Y334 HydrophobicContact CB-CE2 4.2Å; L250-Y334 HydrophobicContact CD2-CE2 4.48Å; L250-Y334 WeakPolarHBondContact O-CE2 3.44Å; S253-Y334 WeakPolarHBondContact OG-CD2 3.3Å; Y254-Y334 HydrophobicContact CD2-CD2 4.5Å; Y254-Y334 HydrophobicContact CD2-CG 4.2Å; I305-Y334 HydrophobicContact CD1-CD2 4.1Å; I305-Y334 HydrophobicContact CD1-CE2 3.3Å; I305-Y334 HydrophobicContact CG1-CE2 3.96Å; I305-Y334 WeakPolarHBondContact CG1-OH 3.46Å; S330-Y334 VanDerWaalsContact O-CB 3.25Å; S330-Y334 WeakPolarHBondContact O-CB 3.37Å; S330-Y334 PolarHBondContact O-N 3.44Å; L331-Y334 PolarHBondContact O-N 3.39Å; L332-Y334 VanDerWaalsContact C-N 3.31Å; L332-Y334 PolarHBondContact O-N 3.4Å; Y334-L336 PolarHBondContact O-N 3.25Å; Y334-Q337 VanDerWaalsContact O-CB 3.3Å; Y334-Q337 WeakPolarHBondContact O-CB 3.31Å; Y334-Q337 PolarHBondContact O-N 3.05Å
335	I	98.9	Very high	98.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-54	-42.7	171.2	-63.2	162	0	0	0	110.3	F84 Y86 L104 L122 T126 I128 L331 Q337 V338	F84-I335 HydrophobicContact CD1-CG1 3.96Å; F84-I335 HydrophobicContact CD1-CG2 4.24Å; F84-I335 HydrophobicContact CD2-CG2 4.41Å; F84-I335 HydrophobicContact CE1-CB 4.46Å; F84-I335 HydrophobicContact CE1-CG1 3.57Å; F84-I335 HydrophobicContact CE2-CB 4.43Å; F84-I335 HydrophobicContact CE2-CG1 4.22Å; F84-I335 HydrophobicContact CG-CG1 4.47Å; F84-I335 HydrophobicContact CG-CG2 4.15Å; F84-I335 HydrophobicContact CZ-CB 4.41Å; F84-I335 HydrophobicContact CZ-CG1 3.71Å; Y86-I335 HydrophobicContact CD2-CD1 4.48Å; Y86-I335 HydrophobicContact CD2-CG1 4.41Å; Y86-I335 HydrophobicContact CE2-CD1 3.82Å; Y86-I335 HydrophobicContact CE2-CG1 3.61Å; L104-I335 HydrophobicContact CD2-CD1 4.23Å; L122-I335 HydrophobicContact CD1-CG2 3.87Å; L122-I335 HydrophobicContact CD2-CG2 4.28Å; L122-I335 HydrophobicContact CG-CG2 4.32Å; T126-I335 HydrophobicContact CG2-CG2 4.26Å; I128-I335 HydrophobicContact CD1-CD1 4.43Å; I128-I335 HydrophobicContact CD1-CG2 3.91Å; I128-I335 HydrophobicContact CG1-CG2 3.94Å; I128-I335 HydrophobicContact CG2-CD1 4.3Å; L331-I335 VanDerWaalsContact O-CG1 3.32Å; L331-I335 WeakPolarHBondContact O-CG1 3.42Å; L331-I335 PolarHBondContact O-N 2.96Å; L331-I335 VanDerWaalsContact O-N 3.09Å; I335-Q337 PolarHBondContact O-N 3.05Å; I335-Q337 VanDerWaalsContact O-N 3.15Å; I335-V338 WeakPolarHBondContact O-CB 3.45Å; I335-V338 VanDerWaalsContact O-CG1 3.23Å; I335-V338 WeakPolarHBondContact O-CG1 3.36Å; I335-V338 PolarHBondContact O-N 2.68Å; I335-V338 VanDerWaalsContact O-N 3.15Å
336	L	98.5	Very high	98.3	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-60	-25.9	-179.9	-171.9	67.7	0	0	0	113	F118 L122 L332 N333 Y334 V338 H339 P419 S420 F425	F118-L336 HydrophobicContact CE2-CD1 4.31Å; F118-L336 HydrophobicContact CE2-CD2 4.42Å; L122-L336 HydrophobicContact CD1-CD1 4.39Å; L332-L336 PolarHBondContact O-N 2.83Å; N333-L336 WeakPolarHBondContact O-CB 3.41Å; Y334-L336 PolarHBondContact O-N 3.25Å; L336-V338 PolarHBondContact O-N 3.34Å; L336-V338 VanDerWaalsContact O-N 3.16Å; L336-H339 PolarHBondContact O-N 3Å; L336-P419 HydrophobicContact CD2-CB 4.06Å; L336-P419 HydrophobicContact CG-CB 3.76Å; L336-P419 WeakPolarHBondContact O-CB 3.46Å; L336-S420 WeakPolarHBondContact CD2-O 3.1Å; L336-F425 HydrophobicContact CD1-CD2 3.42Å; L336-F425 VanDerWaalsContact CD1-CD2 3.42Å; L336-F425 HydrophobicContact CD1-CE2 3.33Å; L336-F425 HydrophobicContact CD1-CG 4.31Å; L336-F425 HydrophobicContact CD1-CZ 4.15Å
337	Q	98.8	Very high	98.2	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.009	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-65.1	-16.1	179	-59.5	-49.9	-53.2	0	0	113.6	L213 L250 S253 N333 Y334 I335 H339 R340 P419	L213-Q337 HydrophobicContact CD2-CB 3.72Å; L250-Q337 HydrophobicContact CD2-CB 3.6Å; L250-Q337 HydrophobicContact CD2-CG 4.1Å; S253-Q337 VanDerWaalsContact OG-CG 3.28Å; S253-Q337 WeakPolarHBondContact OG-CG 3.16Å; N333-Q337 PolarHBondContact O-NE2 3.36Å; N333-Q337 VanDerWaalsContact O-NE2 3.09Å; Y334-Q337 VanDerWaalsContact O-CB 3.3Å; Y334-Q337 WeakPolarHBondContact O-CB 3.31Å; Y334-Q337 PolarHBondContact O-N 3.05Å; I335-Q337 PolarHBondContact O-N 3.05Å; I335-Q337 VanDerWaalsContact O-N 3.15Å; Q337-H339 PolarHBondContact O-N 3.13Å; Q337-R340 WeakPolarHBondContact O-CB 3.36Å; Q337-R340 WeakPolarHBondContact O-CG 3.29Å; Q337-R340 PolarHBondContact O-N 2.81Å; Q337-P419 PolarHBondContact NE2-O 3.23Å
338	V	98.8	Very high	98	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.012	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-59.5	-17.1	174	80.7	0	0	0	0	112.6	P82 F84 T126 V212 L213 I335 L336	P82-V338 HydrophobicContact CB-CG1 4.42Å; P82-V338 HydrophobicContact CB-CG2 3.68Å; P82-V338 HydrophobicContact CG-CG1 3.91Å; P82-V338 HydrophobicContact CG-CG2 4.11Å; F84-V338 HydrophobicContact CB-CG2 4.47Å; F84-V338 HydrophobicContact CD2-CB 4.43Å; T126-V338 HydrophobicContact CG2-CG1 3.83Å; V212-V338 HydrophobicContact CB-CG2 3.77Å; V212-V338 HydrophobicContact CG1-CG2 3.92Å; L213-V338 HydrophobicContact CB-CB 4.16Å; L213-V338 HydrophobicContact CB-CG2 3.89Å; L213-V338 HydrophobicContact CD2-CB 4.19Å; I335-V338 WeakPolarHBondContact O-CB 3.45Å; I335-V338 VanDerWaalsContact O-CG1 3.23Å; I335-V338 WeakPolarHBondContact O-CG1 3.36Å; I335-V338 PolarHBondContact O-N 2.68Å; I335-V338 VanDerWaalsContact O-N 3.15Å; L336-V338 PolarHBondContact O-N 3.34Å; L336-V338 VanDerWaalsContact O-N 3.16Å
339	H	98.7	Very high	97.6	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.009	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-94.7	9.4	177.9	-72.5	-68.5	0	0	0	114.7	R125 T126 L336 Q337 P419 F425 L426 E427 A428	R125-H339 PolarHBondContact O-CE1 3.49Å; R125-H339 PolarHBondContact O-NE2 3.38Å; T126-H339 PolarHBondContact OG1-NE2 2.81Å; L336-H339 PolarHBondContact O-N 3Å; Q337-H339 PolarHBondContact O-N 3.13Å; H339-P419 HydrophobicContact CB-CG 4.4Å; H339-F425 AromaticContact CD2-CZ 3.73Å; H339-F425 AromaticContact NE2-CZ 3.63Å; H339-L426 WeakPolarHBondContact CB-O 3.46Å; H339-E427 CarbonylContact O-C 3.59Å; H339-A428 WeakPolarHBondContact O-CA 3.26Å; H339-A428 WeakPolarHBondContact O-CB 3.39Å; H339-A428 PolarHBondContact O-N 3.38Å
340	R	98.4	Very high	97	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.008	4%	0.038	C	C	.	.	S	Bend	trans	-80.5	157.8	176.9	75.8	-171.4	-66.2	-173.8	7.2	111.9	T246 E249 Q337 L391 L392 P419	T246-R340 PolarHBondContact O-NH1 3.26Å; E249-R340 IonicContact OE2-CZ 3.96Å; E249-R340 IonicContact OE2-NH2 3.22Å; E249-R340 PolarHBondContact OE2-NH2 3Å; Q337-R340 WeakPolarHBondContact O-CB 3.36Å; Q337-R340 WeakPolarHBondContact O-CG 3.29Å; Q337-R340 PolarHBondContact O-N 2.81Å; R340-L391 HydrophobicContact CG-CB 3.85Å; R340-L391 HydrophobicContact CG-CD2 3.86Å; R340-L391 HydrophobicContact CG-CG 4.34Å; R340-L392 PolarHBondContact NE-O 2.98Å; R340-L392 PolarHBondContact NH2-O 3.26Å; R340-P419 VanDerWaalsContact CB-CD 3.47Å; R340-P419 HydrophobicContact CB-CG 3.79Å
341	G	98.5	Very high	96.2	Very high	3 Å²	3	15.6 Å²	15.6	3%	0.031	8%	0.08	C	C	.	.	S	Bend	trans	76.6	-131.5	176.2	0	0	0	0	0	112.9	Q429	G341-Q429 PolarHBondContact O-N 2.93Å
342	I	98.3	Very high	95.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	153.2	-174.5	64.2	176.4	0	0	0	111.6	Y388 R390 L392 V399 V413 V415 Q429 V431	I342-Y388 HydrophobicContact CD1-CE2 4.05Å; I342-Y388 HydrophobicContact CG1-CE2 4.05Å; I342-R390 HydrophobicContact CD1-CB 4.37Å; I342-R390 HydrophobicContact CG1-CB 3.79Å; I342-R390 HydrophobicContact CG1-CG 4.37Å; I342-R390 PolarHBondContact N-O 3.31Å; I342-R390 PolarHBondContact O-N 2.91Å; I342-L392 HydrophobicContact CD1-CD1 4.24Å; I342-L392 HydrophobicContact CG1-CD1 4.07Å; I342-L392 HydrophobicContact CG2-CD1 4.41Å; I342-V399 HydrophobicContact CD1-CB 4.31Å; I342-V399 HydrophobicContact CD1-CG1 3.83Å; I342-V399 HydrophobicContact CD1-CG2 3.54Å; I342-V413 HydrophobicContact CG2-CB 4.45Å; I342-V413 HydrophobicContact CG2-CG2 4.08Å; I342-V415 HydrophobicContact CG2-CG2 3.93Å; I342-Q429 CarbonylContact C-O 3.58Å; I342-Q429 VanDerWaalsContact CA-O 3.26Å; I342-Q429 WeakPolarHBondContact CA-O 3.45Å; I342-Q429 HydrophobicContact CG2-CB 4.25Å; I342-V431 HydrophobicContact CB-CG2 4.27Å; I342-V431 HydrophobicContact CG2-CG2 4.15Å
343	K	98.1	Very high	94.6	Very high	18 Å²	18	25.1 Å²	25.1	8%	0.078	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	165.3	168.6	70.8	175.8	-177.6	176.6	0	110.5	G80 Y388 Y389 E427 A428 Q429 Q430 V431	G80-K343 PolarHBondContact O-NZ 2.92Å; K343-Y388 VanDerWaalsContact CA-O 3.25Å; K343-Y388 WeakPolarHBondContact CA-O 3.41Å; K343-Y388 WeakPolarHBondContact CB-O 3.49Å; K343-Y389 HydrophobicContact CB-CD1 3.72Å; K343-Y389 HydrophobicContact CB-CE1 4.22Å; K343-Y389 HydrophobicContact CD-CD1 4.07Å; K343-Y389 HydrophobicContact CD-CE1 3.94Å; K343-E427 IonicContact NZ-OE2 3.9Å; K343-E427 PolarHBondContact NZ-OE2 3.01Å; K343-A428 HydrophobicContact CB-CB 4.02Å; K343-A428 HydrophobicContact CD-CB 4.23Å; K343-A428 HydrophobicContact CG-CB 3.92Å; K343-Q429 PolarHBondContact N-O 3.44Å; K343-Q430 CarbonylContact O-C 3.52Å; K343-Q430 WeakPolarHBondContact O-CA 3.26Å; K343-V431 PolarHBondContact O-N 2.92Å
344	G	97	Very high	93.9	Very high	6 Å²	6	26.6 Å²	26.6	6%	0.062	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.1	-168.4	169.6	0	0	0	0	0	111.9	D387 Y388 N432	G344-D387 CarbonylContact O-C 3.6Å; G344-D387 VanDerWaalsContact O-CA 3.31Å; G344-D387 WeakPolarHBondContact O-CA 3.34Å; G344-Y388 VanDerWaalsContact C-CE1 3.48Å; G344-Y388 PolarHBondContact N-O 3.19Å; G344-Y388 VanDerWaalsContact N-O 3.11Å; G344-Y388 WeakPolarHBondContact O-CD1 3.47Å; G344-Y388 PolarHBondContact O-N 3.11Å; G344-N432 WeakPolarHBondContact CA-OD1 3.48Å
345	T	96.8	Very high	93.7	Very high	12 Å²	12	30.1 Å²	30.1	7%	0.074	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.5	179.4	-46.6	0	0	0	0	110.4	Y347 F385 G386 D387 N432 F433	T345-Y347 HydrophobicContact CG2-CD2 3.8Å; T345-Y347 HydrophobicContact CG2-CE2 3.57Å; T345-F385 WeakPolarHBondContact CG2-O 3.45Å; T345-G386 CarbonylContact C-O 3.53Å; T345-G386 VanDerWaalsContact CA-O 3.27Å; T345-G386 WeakPolarHBondContact CA-O 3.24Å; T345-D387 WeakPolarHBondContact CB-OD1 3.45Å; T345-D387 WeakPolarHBondContact CG2-OD1 3.21Å; T345-D387 PolarHBondContact OG1-OD1 3.18Å; T345-N432 PolarHBondContact N-OD1 3.27Å; T345-N432 WeakPolarHBondContact O-CA 3.36Å; T345-F433 PolarHBondContact O-N 2.62Å
346	V	97	Very high	93.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.5	167	-174.2	0	0	0	0	109.8	V357 A360 I362 T382 G386 Y388 A401 F433 L435	V346-V357 HydrophobicContact CG1-CB 4.25Å; V346-V357 PolarHBondContact O-N 3.04Å; V346-A360 HydrophobicContact CB-CB 4.09Å; V346-A360 HydrophobicContact CG1-CB 3.81Å; V346-A360 HydrophobicContact CG2-CB 4.22Å; V346-I362 HydrophobicContact CG2-CD1 3.67Å; V346-T382 HydrophobicContact CB-CG2 4.08Å; V346-T382 HydrophobicContact CG2-CG2 3.66Å; V346-G386 PolarHBondContact N-O 3.22Å; V346-Y388 HydrophobicContact CG2-CD1 4.2Å; V346-Y388 HydrophobicContact CG2-CE1 4.43Å; V346-A401 HydrophobicContact CG1-CB 4.48Å; V346-A401 HydrophobicContact CG2-CB 4.07Å; V346-F433 HydrophobicContact CG1-CB 4.37Å; V346-F433 HydrophobicContact CG2-CB 4.27Å; V346-F433 HydrophobicContact CG2-CD2 4.25Å; V346-L435 HydrophobicContact CG1-CD1 3.54Å; V346-L435 HydrophobicContact CG1-CD2 4.49Å; V346-L435 HydrophobicContact CG1-CG 3.7Å
347	Y	95.5	Very high	93.4	Very high	31 Å²	31	33.6 Å²	33.6	12%	0.122	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	151.1	170.6	-76	-89.3	0	0	0	111	R79 T345 I355 F433 L434 L435 F458	R79-Y347 PolarHBondContact NH1-OH 3.36Å; R79-Y347 PolarHBondContact NH2-OH 3.26Å; T345-Y347 HydrophobicContact CG2-CD2 3.8Å; T345-Y347 HydrophobicContact CG2-CE2 3.57Å; Y347-I355 CarbonylContact C-O 3.53Å; Y347-I355 VanDerWaalsContact CA-O 3.27Å; Y347-I355 WeakPolarHBondContact CA-O 3.49Å; Y347-I355 WeakPolarHBondContact CD1-O 3.16Å; Y347-F433 PolarHBondContact N-O 3.27Å; Y347-L434 CarbonylContact O-C 3.58Å; Y347-L434 WeakPolarHBondContact O-CA 3.44Å; Y347-L435 PolarHBondContact O-N 3.25Å; Y347-F458 AromaticContact CD2-CE1 3.62Å; Y347-F458 HydrophobicContact CD2-CE1 3.62Å; Y347-F458 HydrophobicContact CD2-CZ 4.07Å; Y347-F458 HydrophobicContact CE2-CE1 4.02Å; Y347-F458 HydrophobicContact CE2-CZ 4.03Å
348	G	94.1	Very high	93.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138	169.6	0	0	0	0	0	109.6	Y354 I355 L435	G348-Y354 WeakPolarHBondContact O-CA 3.33Å; G348-I355 PolarHBondContact N-O 2.87Å; G348-I355 PolarHBondContact O-N 3.39Å; G348-L435 CarbonylContact C-O 3.51Å; G348-L435 WeakPolarHBondContact CA-O 3.49Å
349	Y	90	Very high	93.3	Very high	21 Å²	21	43.7 Å²	43.7	8%	0.082	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114.2	170.6	-173.6	-98.4	0	0	0	110	N352 Y354 L435 L436 P437 F440 I449	Y349-N352 WeakPolarHBondContact OH-CA 3.41Å; Y349-N352 PolarHBondContact OH-OD1 2.9Å; Y349-N352 VanDerWaalsContact OH-OD1 3.08Å; Y349-Y354 HydrophobicContact CD2-CD1 4.4Å; Y349-Y354 HydrophobicContact CD2-CE1 4.14Å; Y349-L435 PolarHBondContact N-O 3.44Å; Y349-L436 HydrophobicContact CG-CD2 4.38Å; Y349-P437 WeakPolarHBondContact O-CD 3.45Å; Y349-F440 HydrophobicContact CD1-CD2 4.22Å; Y349-F440 AromaticContact CD1-CE2 3.75Å; Y349-F440 HydrophobicContact CD1-CE2 3.75Å; Y349-F440 HydrophobicContact CE1-CD2 4.43Å; Y349-F440 AromaticContact CE1-CE2 3.68Å; Y349-F440 HydrophobicContact CE1-CE2 3.68Å; Y349-I449 HydrophobicContact CE2-CD1 3.9Å
350	A	85	Confident	93.3	Very high	32 Å²	32	43.6 Å²	43.6	26%	0.264	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.4	177.3	0	0	0	0	0	109.3	N352 T353 I355	A350-N352 PolarHBondContact O-N 3.45Å; A350-N352 VanDerWaalsContact O-N 3.07Å; A350-T353 PolarHBondContact N-O 3.13Å; A350-T353 CarbonylContact O-C 3.56Å; A350-T353 VanDerWaalsContact O-CG2 3.27Å; A350-T353 WeakPolarHBondContact O-CG2 3.05Å; A350-T353 PolarHBondContact O-N 3.4Å; A350-I355 HydrophobicContact CB-CD1 4.22Å
351	E	81.8	Confident	93.3	Very high	188 Å²	188	46.3 Å²	46.3	88%	0.879	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	35.3	174.1	-56.3	-174.7	173.9	0	0	115.2	T353	E351-T353 PolarHBondContact O-N 3.23Å
352	N	78.5	Confident	93.3	Very high	130 Å²	130	46.2 Å²	46.2	70%	0.695	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	23.2	-175	-50.7	-49.6	0	0	0	115.1	Y349 A350	Y349-N352 WeakPolarHBondContact OH-CA 3.41Å; Y349-N352 PolarHBondContact OH-OD1 2.9Å; Y349-N352 VanDerWaalsContact OH-OD1 3.08Å; A350-N352 PolarHBondContact O-N 3.45Å; A350-N352 VanDerWaalsContact O-N 3.07Å
353	T	85.2	Confident	93.3	Very high	72 Å²	72	50.8 Å²	50.8	44%	0.442	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	175.4	172.6	-168.1	0	0	0	0	111.2	A350 E351 I355	A350-T353 PolarHBondContact N-O 3.13Å; A350-T353 CarbonylContact O-C 3.56Å; A350-T353 VanDerWaalsContact O-CG2 3.27Å; A350-T353 WeakPolarHBondContact O-CG2 3.05Å; A350-T353 PolarHBondContact O-N 3.4Å; E351-T353 PolarHBondContact O-N 3.23Å; T353-I355 HydrophobicContact CG2-CG2 4.29Å
354	Y	85.7	Confident	93.3	Very high	36 Å²	36	50.3 Å²	50.3	14%	0.141	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.6	176.1	-51	-90.9	0	0	0	108.9	G348 Y349 L434 I449 I451 P452	G348-Y354 WeakPolarHBondContact O-CA 3.33Å; Y349-Y354 HydrophobicContact CD2-CD1 4.4Å; Y349-Y354 HydrophobicContact CD2-CE1 4.14Å; Y354-L434 HydrophobicContact CD1-CD1 3.46Å; Y354-L434 VanDerWaalsContact CD1-CD1 3.46Å; Y354-L434 HydrophobicContact CD1-CD2 4.34Å; Y354-L434 HydrophobicContact CE1-CD1 3.72Å; Y354-L434 HydrophobicContact CE1-CD2 3.72Å; Y354-L434 HydrophobicContact CE1-CG 4.38Å; Y354-I449 HydrophobicContact CE1-CG2 4.44Å; Y354-I449 WeakPolarHBondContact OH-CG2 3.49Å; Y354-I451 HydrophobicContact CE1-CG1 4.43Å; Y354-I451 HydrophobicContact CE1-CG2 4.42Å; Y354-I451 VanDerWaalsContact OH-CA 3.32Å; Y354-I451 WeakPolarHBondContact OH-CA 3.43Å; Y354-I451 WeakPolarHBondContact OH-CG1 3.3Å; Y354-P452 HydrophobicContact CD2-CG 3.93Å; Y354-P452 HydrophobicContact CE2-CG 3.93Å
355	I	93.4	Very high	93.2	Very high	74 Å²	74	50.6 Å²	50.6	38%	0.379	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.3	174.2	59.7	174.2	0	0	0	109.1	Y347 G348 A350 T353 V357	Y347-I355 CarbonylContact C-O 3.53Å; Y347-I355 VanDerWaalsContact CA-O 3.27Å; Y347-I355 WeakPolarHBondContact CA-O 3.49Å; Y347-I355 WeakPolarHBondContact CD1-O 3.16Å; G348-I355 PolarHBondContact N-O 2.87Å; G348-I355 PolarHBondContact O-N 3.39Å; A350-I355 HydrophobicContact CB-CD1 4.22Å; T353-I355 HydrophobicContact CG2-CG2 4.29Å; I355-V357 PolarHBondContact O-N 2.86Å
356	P	95.4	Very high	93.1	Very high	60 Å²	60	52 Å²	52	39%	0.39	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	137.7	166.6	27.2	-33	0	0	0	108.7	F385	P356-F385 WeakPolarHBondContact CB-O 3.36Å
357	V	97.2	Very high	92.9	Very high	15 Å²	15	52.3 Å²	52.3	9%	0.091	27%	0.271	C	S	.	.			trans	-105.5	106.8	179.6	-174.8	0	0	0	0	108.1	V346 I355 A360 T382 G386 A403	V346-V357 HydrophobicContact CG1-CB 4.25Å; V346-V357 PolarHBondContact O-N 3.04Å; I355-V357 PolarHBondContact O-N 2.86Å; V357-A360 HydrophobicContact CB-CB 4.22Å; V357-A360 HydrophobicContact CG1-CB 3.88Å; V357-T382 WeakPolarHBondContact O-CB 3.43Å; V357-T382 PolarHBondContact O-OG1 3.04Å; V357-G386 WeakPolarHBondContact O-CA 3.44Å; V357-A403 HydrophobicContact CG1-CB 3.63Å
358	E	97.2	Very high	92.7	Very high	114 Å²	114	54.1 Å²	54.1	53%	0.533	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	148.1	170.2	-174.4	178.6	-166.5	0	0	110.3	A360 D383	E358-A360 PolarHBondContact O-N 2.79Å; E358-A360 VanDerWaalsContact O-N 3.09Å; E358-D383 WeakPolarHBondContact CA-O 3.36Å
359	N	97.8	Very high	92.5	Very high	102 Å²	102	57.3 Å²	57.3	55%	0.545	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	15.9	-179	-60.3	-54.6	0	0	0	115.1	I361 T382	N359-I361 PolarHBondContact O-N 2.99Å; N359-T382 PolarHBondContact N-O 2.89Å; N359-T382 PolarHBondContact N-OG1 2.81Å
360	A	98.5	Very high	92	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.33	C	S	.	.			trans	-60	135.7	162.4	0	0	0	0	0	109.7	V346 V357 E358 N381 T382 S402 A403	V346-A360 HydrophobicContact CB-CB 4.09Å; V346-A360 HydrophobicContact CG1-CB 3.81Å; V346-A360 HydrophobicContact CG2-CB 4.22Å; V357-A360 HydrophobicContact CB-CB 4.22Å; V357-A360 HydrophobicContact CG1-CB 3.88Å; E358-A360 PolarHBondContact O-N 2.79Å; E358-A360 VanDerWaalsContact O-N 3.09Å; A360-N381 WeakPolarHBondContact O-CA 3.33Å; A360-T382 WeakPolarHBondContact CA-OG1 3.39Å; A360-T382 HydrophobicContact CB-CG2 4.13Å; A360-T382 WeakPolarHBondContact CB-OG1 3.26Å; A360-T382 PolarHBondContact N-OG1 2.77Å; A360-T382 PolarHBondContact O-N 3.4Å; A360-T382 PolarHBondContact O-OG1 3.02Å; A360-S402 CarbonylContact C-O 3.31Å; A360-S402 WeakPolarHBondContact CA-O 3.34Å; A360-A403 HydrophobicContact CB-CB 4.08Å
361	I	98.5	Very high	91.9	Very high	59 Å²	59	65.3 Å²	65.3	30%	0.303	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.9	-176.1	-57.6	171.8	0	0	0	109.1	N359 K363 N379 A401 S402	N359-I361 PolarHBondContact O-N 2.99Å; I361-K363 HydrophobicContact CG2-CG 3.82Å; I361-N379 HydrophobicContact CG2-CB 3.62Å; I361-A401 WeakPolarHBondContact O-CA 3.39Å; I361-S402 PolarHBondContact N-O 3.17Å; I361-S402 PolarHBondContact O-N 2.91Å; I361-S402 PolarHBondContact O-OG 2.98Å
362	I	98.6	Very high	92	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.1	171.8	-52.9	-59.4	0	0	0	108.7	V346 V364 N379 I380 Y388 V399 T400 A401 F433	V346-I362 HydrophobicContact CG2-CD1 3.67Å; I362-V364 HydrophobicContact CG2-CG2 4.46Å; I362-N379 WeakPolarHBondContact O-CA 3.39Å; I362-I380 HydrophobicContact CB-CB 4.28Å; I362-I380 WeakPolarHBondContact CB-O 3.24Å; I362-I380 PolarHBondContact N-O 3.29Å; I362-I380 PolarHBondContact O-N 2.74Å; I362-I380 VanDerWaalsContact O-N 3.1Å; I362-Y388 HydrophobicContact CB-CD2 4.36Å; I362-Y388 HydrophobicContact CD1-CD1 3.88Å; I362-Y388 HydrophobicContact CD1-CD2 4.35Å; I362-Y388 HydrophobicContact CD1-CE1 4.1Å; I362-Y388 HydrophobicContact CD1-CG 4.02Å; I362-Y388 HydrophobicContact CG1-CD1 3.98Å; I362-Y388 HydrophobicContact CG1-CD2 3.78Å; I362-Y388 HydrophobicContact CG1-CE2 4.32Å; I362-Y388 HydrophobicContact CG1-CG 3.59Å; I362-Y388 HydrophobicContact CG2-CD2 4.02Å; I362-Y388 HydrophobicContact CG2-CE2 4.02Å; I362-V399 HydrophobicContact CG2-CG1 3.71Å; I362-T400 WeakPolarHBondContact CA-O 3.22Å; I362-A401 HydrophobicContact CD1-CB 3.76Å; I362-F433 HydrophobicContact CD1-CD2 4.49Å; I362-F433 HydrophobicContact CD1-CE2 4.46Å
363	K	97.7	Very high	92.5	Very high	97 Å²	97	56.6 Å²	56.6	42%	0.422	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	140.1	175.8	-50.2	-167.5	166.7	167.5	0	109.7	I361 N379 V399 T400	I361-K363 HydrophobicContact CG2-CG 3.82Å; K363-N379 VanDerWaalsContact CG-OD1 3.32Å; K363-N379 WeakPolarHBondContact CG-OD1 3.48Å; K363-V399 CarbonylContact O-C 3.54Å; K363-V399 WeakPolarHBondContact O-CA 3.48Å; K363-T400 PolarHBondContact N-O 2.75Å; K363-T400 PolarHBondContact O-N 3.2Å
364	V	97.4	Very high	92.8	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.9	179	178.4	0	0	0	0	111	I362 I376 R390 L392 Y397 I398 V399	I362-V364 HydrophobicContact CG2-CG2 4.46Å; V364-I376 HydrophobicContact CB-CD1 4.32Å; V364-I376 HydrophobicContact CG1-CD1 3.83Å; V364-I376 HydrophobicContact CG1-CG1 4.46Å; V364-I376 PolarHBondContact O-N 3.14Å; V364-R390 HydrophobicContact CG2-CG 3.91Å; V364-L392 HydrophobicContact CG1-CD1 4.45Å; V364-L392 HydrophobicContact CG1-CD2 4.07Å; V364-Y397 HydrophobicContact CG1-CD1 3.48Å; V364-Y397 VanDerWaalsContact CG1-CD1 3.48Å; V364-Y397 HydrophobicContact CG1-CE1 4.32Å; V364-Y397 HydrophobicContact CG1-CG 4.01Å; V364-I398 CarbonylContact C-O 3.56Å; V364-I398 WeakPolarHBondContact CA-O 3.39Å; V364-V399 HydrophobicContact CG2-CG1 4.34Å; V364-V399 HydrophobicContact CG2-CG2 4.36Å
365	A	95	Very high	93.2	Very high	12 Å²	12	58.7 Å²	58.7	10%	0.099	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.9	166.1	0	0	0	0	0	110	L373 T374 Y397 I398	A365-L373 HydrophobicContact CB-CD2 3.7Å; A365-L373 HydrophobicContact CB-CG 4.06Å; A365-T374 CarbonylContact C-O 3.54Å; A365-T374 WeakPolarHBondContact CA-O 3.21Å; A365-Y397 CarbonylContact O-C 3.58Å; A365-Y397 VanDerWaalsContact O-CA 3.24Å; A365-Y397 WeakPolarHBondContact O-CA 3Å; A365-I398 HydrophobicContact CB-CB 4.47Å; A365-I398 PolarHBondContact N-O 2.8Å; A365-I398 PolarHBondContact O-N 3.14Å
366	N	94.6	Very high	93.3	Very high	42 Å²	42	56 Å²	56	23%	0.225	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.3	173.9	-168.5	-28.5	0	0	0	109.7	T368 T374 K396 Y397	N366-T368 WeakPolarHBondContact OD1-CB 3.35Å; N366-T368 PolarHBondContact OD1-N 2.76Å; N366-T368 PolarHBondContact OD1-OG1 2.71Å; N366-T374 PolarHBondContact N-O 2.68Å; N366-T374 PolarHBondContact O-N 3.25Å; N366-K396 PolarHBondContact OD1-O 2.79Å; N366-Y397 HydrophobicContact CB-CD1 3.97Å; N366-Y397 HydrophobicContact CB-CE1 3.79Å
367	I	92.8	Very high	93.3	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.031	32%	0.32	C	S	.	.			trans	-130.3	25.2	180	56.7	158.1	0	0	0	110.9	D369 L373 K396 I398	I367-D369 VanDerWaalsContact C-N 3.29Å; I367-D369 PolarHBondContact O-N 3.44Å; I367-L373 HydrophobicContact CG2-CB 4.35Å; I367-L373 HydrophobicContact CG2-CD1 4.4Å; I367-L373 HydrophobicContact CG2-CG 4.05Å; I367-K396 CarbonylContact C-O 3.58Å; I367-K396 HydrophobicContact CD1-CB 4.17Å; I367-K396 VanDerWaalsContact CG1-C 3.42Å; I367-K396 HydrophobicContact CG1-CB 3.84Å; I367-K396 VanDerWaalsContact CG1-O 3.24Å; I367-K396 WeakPolarHBondContact CG1-O 3.36Å; I367-K396 PolarHBondContact N-O 3.27Å; I367-I398 HydrophobicContact CD1-CD1 4.48Å; I367-I398 HydrophobicContact CD1-CG1 3.78Å; I367-I398 HydrophobicContact CG1-CG1 4.26Å; I367-I398 HydrophobicContact CG2-CD1 3.99Å; I367-I398 HydrophobicContact CG2-CG1 3.97Å
368	T	92.8	Very high	93.3	Very high	69 Å²	69	56.6 Å²	56.6	42%	0.423	32%	0.317	S	S	.	.	S	Bend	trans	-61.2	-42	-179.7	-57.2	0	0	0	0	110.9	N366 G395 K396	N366-T368 WeakPolarHBondContact OD1-CB 3.35Å; N366-T368 PolarHBondContact OD1-N 2.76Å; N366-T368 PolarHBondContact OD1-OG1 2.71Å; T368-G395 WeakPolarHBondContact OG1-CA 3.48Å; T368-K396 PolarHBondContact N-O 3.43Å; T368-K396 PolarHBondContact OG1-N 3.47Å; T368-K396 PolarHBondContact OG1-O 3.18Å
369	D	88.8	Confident	93.3	Very high	68 Å²	68	52.7 Å²	52.7	36%	0.364	30%	0.299	S	S	.	.	S	Bend	trans	-82.1	116.9	163.6	172.3	2.2	0	0	0	108.4	I367 T371 T372	I367-D369 VanDerWaalsContact C-N 3.29Å; I367-D369 PolarHBondContact O-N 3.44Å; D369-T371 VanDerWaalsContact CG-OG1 3.24Å; D369-T371 PolarHBondContact O-N 2.95Å; D369-T371 WeakPolarHBondContact OD1-CB 3.3Å; D369-T371 PolarHBondContact OD1-N 3.05Å; D369-T371 PolarHBondContact OD1-OG1 3.22Å; D369-T371 PolarHBondContact OD2-OG1 2.94Å; D369-T371 VanDerWaalsContact OD2-OG1 3.08Å; D369-T372 WeakPolarHBondContact CB-OG1 3.37Å; D369-T372 PolarHBondContact O-N 3.16Å; D369-T372 VanDerWaalsContact O-N 3.14Å; D369-T372 PolarHBondContact OD2-OG1 2.65Å
370	P	79.7	Confident	93.4	Very high	102 Å²	102	47.9 Å²	47.9	66%	0.662	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-8.6	-177.1	29.4	-36.5	0	0	0	113.9
371	T	83.3	Confident	93.4	Very high	118 Å²	118	49.2 Å²	49.2	72%	0.724	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-10.6	177.9	71.4	0	0	0	0	113.5	D369	D369-T371 VanDerWaalsContact CG-OG1 3.24Å; D369-T371 PolarHBondContact O-N 2.95Å; D369-T371 WeakPolarHBondContact OD1-CB 3.3Å; D369-T371 PolarHBondContact OD1-N 3.05Å; D369-T371 PolarHBondContact OD1-OG1 3.22Å; D369-T371 PolarHBondContact OD2-OG1 2.94Å; D369-T371 VanDerWaalsContact OD2-OG1 3.08Å
372	T	84.5	Confident	93.4	Very high	66 Å²	66	46.6 Å²	46.6	41%	0.405	27%	0.267	S	S	.	.			trans	-130.5	136.5	-177.7	58.4	0	0	0	0	111.5	D369	D369-T372 WeakPolarHBondContact CB-OG1 3.37Å; D369-T372 PolarHBondContact O-N 3.16Å; D369-T372 VanDerWaalsContact O-N 3.14Å; D369-T372 PolarHBondContact OD2-OG1 2.65Å
373	L	87.6	Confident	93.3	Very high	70 Å²	70	47.9 Å²	47.9	37%	0.366	27%	0.274	S	S	.	.			trans	-112	112.6	168.7	-174.7	160.7	0	0	0	106.9	A365 I367 P375 I398 M476	A365-L373 HydrophobicContact CB-CD2 3.7Å; A365-L373 HydrophobicContact CB-CG 4.06Å; I367-L373 HydrophobicContact CG2-CB 4.35Å; I367-L373 HydrophobicContact CG2-CD1 4.4Å; I367-L373 HydrophobicContact CG2-CG 4.05Å; L373-P375 HydrophobicContact CD2-CG 3.97Å; L373-P375 WeakPolarHBondContact O-CD 3.42Å; L373-I398 HydrophobicContact CD1-CD1 4.16Å; L373-M476 HydrophobicContact CD1-CB 4.44Å
374	T	91.6	Very high	93.2	Very high	78 Å²	78	48.9 Å²	48.9	48%	0.479	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	102.4	-177.8	-55.7	0	0	0	0	110	A365 N366 I376	A365-T374 CarbonylContact C-O 3.54Å; A365-T374 WeakPolarHBondContact CA-O 3.21Å; N366-T374 PolarHBondContact N-O 2.68Å; N366-T374 PolarHBondContact O-N 3.25Å; T374-I376 PolarHBondContact O-N 3.37Å
375	P	93.9	Very high	93.2	Very high	73 Å²	73	51.5 Å²	51.5	47%	0.474	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	132.1	173.8	-21.2	33.8	0	0	0	110.8	L373 L377	L373-P375 HydrophobicContact CD2-CG 3.97Å; L373-P375 WeakPolarHBondContact O-CD 3.42Å; P375-L377 HydrophobicContact CB-CD2 4.01Å; P375-L377 PolarHBondContact O-N 3.18Å
376	I	96.5	Very high	93.3	Very high	19 Å²	19	51 Å²	51	10%	0.097	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	107.9	169.8	-50	176.4	0	0	0	107.4	P242 V364 T374 H378 L392 Y397	P242-I376 HydrophobicContact CB-CG2 4.11Å; P242-I376 WeakPolarHBondContact O-CG2 3.48Å; V364-I376 HydrophobicContact CB-CD1 4.32Å; V364-I376 HydrophobicContact CG1-CD1 3.83Å; V364-I376 HydrophobicContact CG1-CG1 4.46Å; V364-I376 PolarHBondContact O-N 3.14Å; T374-I376 PolarHBondContact O-N 3.37Å; I376-H378 PolarHBondContact O-N 2.65Å; I376-L392 HydrophobicContact CD1-CD2 3.89Å; I376-Y397 HydrophobicContact CD1-CE1 4.19Å
377	L	95.4	Very high	93.5	Very high	85 Å²	85	49 Å²	49	45%	0.445	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	45.4	-172.6	-56.6	-178.1	0	0	0	113.5	L182 P242 P375	L182-L377 HydrophobicContact CD1-CB 4.01Å; L182-L377 HydrophobicContact CD1-CD1 4.11Å; P242-L377 HydrophobicContact CB-CB 4.15Å; P242-L377 HydrophobicContact CG-CB 4.16Å; P242-L377 WeakPolarHBondContact CG-O 3.36Å; P375-L377 HydrophobicContact CB-CD2 4.01Å; P375-L377 PolarHBondContact O-N 3.18Å
378	H	96.8	Very high	93.8	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	103.9	170	179.1	90.9	0	0	0	107.8	D183 P242 D243 Y297 I376 R390	D183-H378 HydrophobicContact CB-CB 4.47Å; D183-H378 WeakPolarHBondContact CB-ND1 3.32Å; P242-H378 HydrophobicContact CB-CB 4.08Å; P242-H378 HydrophobicContact CG-CB 4.32Å; D243-H378 IonicContact OD2-CD2 3.18Å; D243-H378 IonicContact OD2-CG 3.01Å; Y297-H378 AromaticContact CD2-CE1 3.98Å; Y297-H378 HydrophobicContact CE2-CB 4.37Å; Y297-H378 AromaticContact CE2-CD2 3.69Å; Y297-H378 AromaticContact CE2-CE1 3.8Å; Y297-H378 AromaticContact CE2-CG 3.63Å; Y297-H378 AromaticContact CE2-ND1 3.67Å; Y297-H378 AromaticContact CE2-NE2 3.8Å; Y297-H378 AromaticContact CZ-CG 3.61Å; Y297-H378 AromaticContact CZ-ND1 3.63Å; Y297-H378 PolarHBondContact O-CE1 3.01Å; Y297-H378 VanDerWaalsContact OH-CB 3.24Å; Y297-H378 WeakPolarHBondContact OH-CB 3.4Å; I376-H378 PolarHBondContact O-N 2.65Å; H378-R390 PolarHBondContact O-NH1 2.94Å; H378-R390 VanDerWaalsContact O-NH1 3.12Å
379	N	98.2	Very high	94.1	Very high	32 Å²	32	46 Å²	46	17%	0.171	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	160.6	-178.6	-50.4	-62.6	0	0	0	111	D183 H184 I361 I362 K363	D183-N379 PolarHBondContact OD2-N 2.75Å; D183-N379 PolarHBondContact OD2-ND2 3.12Å; H184-N379 PolarHBondContact CE1-O 3.37Å; H184-N379 VanDerWaalsContact CE1-O 3.29Å; I361-N379 HydrophobicContact CG2-CB 3.62Å; I362-N379 WeakPolarHBondContact O-CA 3.39Å; K363-N379 VanDerWaalsContact CG-OD1 3.32Å; K363-N379 WeakPolarHBondContact CG-OD1 3.48Å
380	I	98.7	Very high	94.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.3	172.7	-64.2	-61	0	0	0	109.5	N301 F303 I362 R390	N301-I380 HydrophobicContact CB-CD1 4.04Å; N301-I380 WeakPolarHBondContact OD1-CA 3.36Å; N301-I380 WeakPolarHBondContact OD1-CD1 3.32Å; N301-I380 WeakPolarHBondContact OD1-CG2 3.17Å; F303-I380 HydrophobicContact CE2-CD1 4.23Å; I362-I380 HydrophobicContact CB-CB 4.28Å; I362-I380 WeakPolarHBondContact CB-O 3.24Å; I362-I380 PolarHBondContact N-O 3.29Å; I362-I380 PolarHBondContact O-N 2.74Å; I362-I380 VanDerWaalsContact O-N 3.1Å; I380-R390 HydrophobicContact CG1-CB 4.38Å; I380-R390 HydrophobicContact CG1-CG 4.45Å
381	N	98.5	Very high	95.4	Very high	27 Å²	27	38 Å²	38	14%	0.144	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	140.9	174.8	-67.6	-5.9	0	0	0	110.3	H184 N301 A360	H184-N381 PolarHBondContact CD2-ND2 3.44Å; N301-N381 PolarHBondContact ND2-O 3.3Å; N301-N381 PolarHBondContact OD1-N 3.33Å; A360-N381 WeakPolarHBondContact O-CA 3.33Å
382	T	98.7	Very high	96.2	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.025	17%	0.174	C	C	.	.			trans	-73.9	148.5	174.3	43.4	0	0	0	0	112.2	V346 V357 N359 A360 G386 D387 Y388	V346-T382 HydrophobicContact CB-CG2 4.08Å; V346-T382 HydrophobicContact CG2-CG2 3.66Å; V357-T382 WeakPolarHBondContact O-CB 3.43Å; V357-T382 PolarHBondContact O-OG1 3.04Å; N359-T382 PolarHBondContact N-O 2.89Å; N359-T382 PolarHBondContact N-OG1 2.81Å; A360-T382 WeakPolarHBondContact CA-OG1 3.39Å; A360-T382 HydrophobicContact CB-CG2 4.13Å; A360-T382 WeakPolarHBondContact CB-OG1 3.26Å; A360-T382 PolarHBondContact N-OG1 2.77Å; A360-T382 PolarHBondContact O-N 3.4Å; A360-T382 PolarHBondContact O-OG1 3.02Å; T382-G386 WeakPolarHBondContact CG2-O 3.47Å; T382-D387 CarbonylContact C-O 3.5Å; T382-D387 WeakPolarHBondContact CA-O 3.1Å; T382-Y388 HydrophobicContact CG2-CD1 4.27Å
383	D	97.7	Very high	96.8	Very high	27 Å²	27	29.9 Å²	29.9	14%	0.144	16%	0.159	C	C	.	.			trans	-81.7	-175.9	174	66.4	25.6	0	0	0	113.4	N210 E358 F385 G386 D387	N210-D383 HydrophobicContact CB-CB 4.27Å; E358-D383 WeakPolarHBondContact CA-O 3.36Å; D383-F385 PolarHBondContact O-N 2.89Å; D383-F385 WeakPolarHBondContact OD1-CA 3.38Å; D383-F385 WeakPolarHBondContact OD1-CB 3.42Å; D383-F385 PolarHBondContact OD1-N 3.05Å; D383-G386 WeakPolarHBondContact O-CA 3.48Å; D383-G386 PolarHBondContact O-N 3.02Å; D383-G386 PolarHBondContact OD1-N 3.11Å; D383-D387 PolarHBondContact N-O 3.36Å; D383-D387 PolarHBondContact OD1-N 2.9Å
384	Q	95.7	Very high	97.3	Very high	119 Å²	119	32 Å²	32	56%	0.556	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-19.6	177.7	68.4	-175.7	-5.1	0	0	115
385	F	96.2	Very high	97.6	Very high	62 Å²	62	28.6 Å²	28.6	27%	0.272	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	0.7	176.3	-54	-61.8	0	0	0	113	R79 T345 P356 D383	R79-F385 HydrophobicContact CG-CB 4.25Å; R79-F385 PolarHBondContact NH2-O 2.05Å; T345-F385 WeakPolarHBondContact CG2-O 3.45Å; P356-F385 WeakPolarHBondContact CB-O 3.36Å; D383-F385 PolarHBondContact O-N 2.89Å; D383-F385 WeakPolarHBondContact OD1-CA 3.38Å; D383-F385 WeakPolarHBondContact OD1-CB 3.42Å; D383-F385 PolarHBondContact OD1-N 3.05Å
386	G	97.8	Very high	97.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	75.1	11.6	-170.4	0	0	0	0	0	112.6	T345 V346 V357 T382 D383	T345-G386 CarbonylContact C-O 3.53Å; T345-G386 VanDerWaalsContact CA-O 3.27Å; T345-G386 WeakPolarHBondContact CA-O 3.24Å; V346-G386 PolarHBondContact N-O 3.22Å; V357-G386 WeakPolarHBondContact O-CA 3.44Å; T382-G386 WeakPolarHBondContact CG2-O 3.47Å; D383-G386 WeakPolarHBondContact O-CA 3.48Å; D383-G386 PolarHBondContact O-N 3.02Å; D383-G386 PolarHBondContact OD1-N 3.11Å
387	D	98.2	Very high	97.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	142.7	-174.8	-69.4	-18.5	0	0	0	111.5	R79 G80 G344 T345 T382 D383 Y389	R79-D387 VanDerWaalsContact CA-OD2 3.27Å; R79-D387 WeakPolarHBondContact CA-OD2 3.38Å; R79-D387 WeakPolarHBondContact CG-OD2 3.21Å; R79-D387 IonicContact NE-OD1 3.59Å; G80-D387 PolarHBondContact N-OD2 3.01Å; G344-D387 CarbonylContact O-C 3.6Å; G344-D387 VanDerWaalsContact O-CA 3.31Å; G344-D387 WeakPolarHBondContact O-CA 3.34Å; T345-D387 WeakPolarHBondContact CB-OD1 3.45Å; T345-D387 WeakPolarHBondContact CG2-OD1 3.21Å; T345-D387 PolarHBondContact OG1-OD1 3.18Å; T382-D387 CarbonylContact C-O 3.5Å; T382-D387 WeakPolarHBondContact CA-O 3.1Å; D383-D387 PolarHBondContact N-O 3.36Å; D383-D387 PolarHBondContact OD1-N 2.9Å; D387-Y389 HydrophobicContact CB-CE2 4.19Å
388	Y	98.7	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.6	171.8	73.2	-84.1	0	0	0	111	I342 K343 G344 V346 I362 T382 R390 V431 F433	I342-Y388 HydrophobicContact CD1-CE2 4.05Å; I342-Y388 HydrophobicContact CG1-CE2 4.05Å; K343-Y388 VanDerWaalsContact CA-O 3.25Å; K343-Y388 WeakPolarHBondContact CA-O 3.41Å; K343-Y388 WeakPolarHBondContact CB-O 3.49Å; G344-Y388 VanDerWaalsContact C-CE1 3.48Å; G344-Y388 PolarHBondContact N-O 3.19Å; G344-Y388 VanDerWaalsContact N-O 3.11Å; G344-Y388 WeakPolarHBondContact O-CD1 3.47Å; G344-Y388 PolarHBondContact O-N 3.11Å; V346-Y388 HydrophobicContact CG2-CD1 4.2Å; V346-Y388 HydrophobicContact CG2-CE1 4.43Å; I362-Y388 HydrophobicContact CB-CD2 4.36Å; I362-Y388 HydrophobicContact CD1-CD1 3.88Å; I362-Y388 HydrophobicContact CD1-CD2 4.35Å; I362-Y388 HydrophobicContact CD1-CE1 4.1Å; I362-Y388 HydrophobicContact CD1-CG 4.02Å; I362-Y388 HydrophobicContact CG1-CD1 3.98Å; I362-Y388 HydrophobicContact CG1-CD2 3.78Å; I362-Y388 HydrophobicContact CG1-CE2 4.32Å; I362-Y388 HydrophobicContact CG1-CG 3.59Å; I362-Y388 HydrophobicContact CG2-CD2 4.02Å; I362-Y388 HydrophobicContact CG2-CE2 4.02Å; T382-Y388 HydrophobicContact CG2-CD1 4.27Å; Y388-R390 HydrophobicContact CD2-CB 4.38Å; Y388-V431 WeakPolarHBondContact CE1-O 3.26Å; Y388-V431 WeakPolarHBondContact OH-CB 3.48Å; Y388-V431 PolarHBondContact OH-O 2.79Å; Y388-F433 HydrophobicContact CE1-CD2 4.06Å; Y388-F433 HydrophobicContact CE1-CE2 4.13Å; Y388-F433 AromaticContact CZ-CE2 3.94Å; Y388-F433 WeakPolarHBondContact OH-CE2 3.38Å
389	Y	98.7	Very high	97.3	Very high	12 Å²	12	24.5 Å²	24.5	5%	0.047	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	114.2	176.8	-51.5	-91	0	0	0	107.9	G80 I81 P82 V212 K343 D387	G80-Y389 VanDerWaalsContact CA-OH 3.26Å; G80-Y389 WeakPolarHBondContact CA-OH 3.44Å; G80-Y389 PolarHBondContact N-OH 2.74Å; I81-Y389 VanDerWaalsContact C-OH 3.25Å; I81-Y389 PolarHBondContact N-OH 3.35Å; I81-Y389 PolarHBondContact O-OH 2.78Å; P82-Y389 HydrophobicContact CB-CD1 3.68Å; P82-Y389 HydrophobicContact CB-CE1 3.72Å; P82-Y389 HydrophobicContact CB-CG 4.16Å; P82-Y389 HydrophobicContact CG-CD1 4.36Å; P82-Y389 HydrophobicContact CG-CE1 4.22Å; V212-Y389 HydrophobicContact CG1-CG 4.45Å; V212-Y389 HydrophobicContact CG2-CD1 4.5Å; V212-Y389 HydrophobicContact CG2-CD2 3.52Å; V212-Y389 HydrophobicContact CG2-CE2 4.37Å; V212-Y389 HydrophobicContact CG2-CG 3.61Å; K343-Y389 HydrophobicContact CB-CD1 3.72Å; K343-Y389 HydrophobicContact CB-CE1 4.22Å; K343-Y389 HydrophobicContact CD-CD1 4.07Å; K343-Y389 HydrophobicContact CD-CE1 3.94Å; D387-Y389 HydrophobicContact CB-CE2 4.19Å
390	R	98.7	Very high	97.1	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	103.2	-177.2	179.5	67.2	-172.2	165.7	-0.8	109.3	D243 I342 V364 H378 I380 Y388 L392	D243-R390 IonicContact OD1-CZ 3.92Å; D243-R390 IonicContact OD1-NH1 3.1Å; D243-R390 IonicContact OD1-NH2 3.73Å; D243-R390 PolarHBondContact OD1-NH2 3.49Å; D243-R390 IonicContact OD2-CZ 2.9Å; D243-R390 VanDerWaalsContact OD2-CZ 3.29Å; D243-R390 IonicContact OD2-NH1 3.06Å; D243-R390 PolarHBondContact OD2-NH1 3.01Å; D243-R390 IonicContact OD2-NH2 3.77Å; D243-R390 PolarHBondContact OD2-NH2 3.4Å; I342-R390 HydrophobicContact CD1-CB 4.37Å; I342-R390 HydrophobicContact CG1-CB 3.79Å; I342-R390 HydrophobicContact CG1-CG 4.37Å; I342-R390 PolarHBondContact N-O 3.31Å; I342-R390 PolarHBondContact O-N 2.91Å; V364-R390 HydrophobicContact CG2-CG 3.91Å; H378-R390 PolarHBondContact O-NH1 2.94Å; H378-R390 VanDerWaalsContact O-NH1 3.12Å; I380-R390 HydrophobicContact CG1-CB 4.38Å; I380-R390 HydrophobicContact CG1-CG 4.45Å; Y388-R390 HydrophobicContact CD2-CB 4.38Å; R390-L392 HydrophobicContact CG-CD1 4.17Å; R390-L392 HydrophobicContact CG-CD2 3.99Å; R390-L392 HydrophobicContact CG-CG 3.94Å; R390-L392 PolarHBondContact O-N 3.14Å
391	L	98.9	Very high	97.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.116	C	C	.	.			trans	-67.2	126.4	175.9	-51.2	-172.4	0	0	0	109.2	V212 L213 T246 L250 F303 R340	V212-L391 HydrophobicContact CG1-CD1 4.33Å; V212-L391 HydrophobicContact CG1-CD2 3.66Å; V212-L391 HydrophobicContact CG1-CG 3.99Å; L213-L391 HydrophobicContact CB-CD1 4.15Å; L213-L391 HydrophobicContact CD1-CD1 3.92Å; L213-L391 HydrophobicContact CG-CD1 4.49Å; T246-L391 HydrophobicContact CG2-CB 3.89Å; L250-L391 HydrophobicContact CD1-CD1 4.3Å; F303-L391 HydrophobicContact CB-CD1 3.9Å; F303-L391 HydrophobicContact CD1-CD1 4.35Å; F303-L391 HydrophobicContact CD2-CD1 3.94Å; F303-L391 HydrophobicContact CD2-CG 4.27Å; F303-L391 HydrophobicContact CG-CD1 3.81Å; F303-L391 HydrophobicContact CZ-CB 4.49Å; R340-L391 HydrophobicContact CG-CB 3.85Å; R340-L391 HydrophobicContact CG-CD2 3.86Å; R340-L391 HydrophobicContact CG-CG 4.34Å
392	L	98.8	Very high	97	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.117	C	C	.	.			trans	-138.3	154.2	-179.9	-62.4	169.5	0	0	0	109.9	R340 I342 V364 I376 R390 Y397 V415	R340-L392 PolarHBondContact NE-O 2.98Å; R340-L392 PolarHBondContact NH2-O 3.26Å; I342-L392 HydrophobicContact CD1-CD1 4.24Å; I342-L392 HydrophobicContact CG1-CD1 4.07Å; I342-L392 HydrophobicContact CG2-CD1 4.41Å; V364-L392 HydrophobicContact CG1-CD1 4.45Å; V364-L392 HydrophobicContact CG1-CD2 4.07Å; I376-L392 HydrophobicContact CD1-CD2 3.89Å; R390-L392 HydrophobicContact CG-CD1 4.17Å; R390-L392 HydrophobicContact CG-CD2 3.99Å; R390-L392 HydrophobicContact CG-CG 3.94Å; R390-L392 PolarHBondContact O-N 3.14Å; L392-Y397 HydrophobicContact CB-CE2 4.04Å; L392-Y397 HydrophobicContact CD1-CD1 4.34Å; L392-Y397 HydrophobicContact CD1-CD2 3.9Å; L392-Y397 HydrophobicContact CD1-CE1 4.44Å; L392-Y397 HydrophobicContact CD1-CE2 4.01Å; L392-Y397 HydrophobicContact CD1-CG 4.06Å; L392-Y397 HydrophobicContact CD2-CD1 4.32Å; L392-Y397 HydrophobicContact CD2-CE1 3.95Å; L392-Y397 HydrophobicContact CG-CE2 4.46Å; L392-V415 HydrophobicContact CD1-CG2 4.3Å
393	T	98.5	Very high	96.9	Very high	12 Å²	12	24.7 Å²	24.7	7%	0.074	12%	0.123	C	C	.	.			trans	-74.6	168.5	163.3	63	0	0	0	0	110.2	P245 E249 G395 Y397	P245-T393 HydrophobicContact CB-CG2 3.93Å; P245-T393 WeakPolarHBondContact O-CG2 3.34Å; E249-T393 HydrophobicContact CG-CG2 4.26Å; E249-T393 WeakPolarHBondContact OE1-CB 3.43Å; E249-T393 VanDerWaalsContact OE1-CG2 3.26Å; E249-T393 WeakPolarHBondContact OE1-CG2 3.4Å; T393-G395 PolarHBondContact O-N 2.87Å; T393-Y397 WeakPolarHBondContact O-CE2 3.14Å; T393-Y397 PolarHBondContact O-OH 3.29Å; T393-Y397 PolarHBondContact OG1-OH 2.93Å
394	K	98.1	Very high	96.7	Very high	114 Å²	114	31.3 Å²	31.3	50%	0.496	16%	0.158	S	C	.	.	S	Bend	trans	-59.6	138.9	170.8	-66.3	-178	-174.5	-178	0	110.1	V415 H416 T418	K394-V415 CarbonylContact C-O 3.55Å; K394-V415 WeakPolarHBondContact CA-O 3.37Å; K394-V415 WeakPolarHBondContact CB-O 3.4Å; K394-H416 WeakPolarHBondContact CD-O 2.95Å; K394-H416 WeakPolarHBondContact CE-O 3.48Å; K394-T418 VanDerWaalsContact CE-OG1 3.23Å; K394-T418 WeakPolarHBondContact CE-OG1 3.19Å; K394-T418 WeakPolarHBondContact CG-OG1 3.4Å
395	G	96.7	Very high	96.5	Very high	8 Å²	8	28 Å²	28	8%	0.082	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.3	-179.7	-177.8	0	0	0	0	0	113.2	T368 T393 Y397 V415	T368-G395 WeakPolarHBondContact OG1-CA 3.48Å; T393-G395 PolarHBondContact O-N 2.87Å; G395-Y397 WeakPolarHBondContact O-CD2 3.29Å; G395-Y397 WeakPolarHBondContact O-CE2 3.5Å; G395-V415 PolarHBondContact N-O 2.94Å; G395-V415 PolarHBondContact O-N 3.09Å
396	K	95	Very high	96.4	Very high	85 Å²	85	26.9 Å²	26.9	37%	0.37	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.5	177.3	-64.5	-179.7	176.3	-177.5	0	109.9	N366 I367 T368 V413 D414	N366-K396 PolarHBondContact OD1-O 2.79Å; I367-K396 CarbonylContact C-O 3.58Å; I367-K396 HydrophobicContact CD1-CB 4.17Å; I367-K396 VanDerWaalsContact CG1-C 3.42Å; I367-K396 HydrophobicContact CG1-CB 3.84Å; I367-K396 VanDerWaalsContact CG1-O 3.24Å; I367-K396 WeakPolarHBondContact CG1-O 3.36Å; I367-K396 PolarHBondContact N-O 3.27Å; T368-K396 PolarHBondContact N-O 3.43Å; T368-K396 PolarHBondContact OG1-N 3.47Å; T368-K396 PolarHBondContact OG1-O 3.18Å; K396-V413 CarbonylContact C-O 3.59Å; K396-V413 WeakPolarHBondContact CA-O 3.29Å; K396-D414 WeakPolarHBondContact CE-OD2 3.42Å; K396-D414 HydrophobicContact CG-CB 4.25Å
397	Y	94.4	Very high	96	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147	-175.7	-56.8	-88.7	0	0	0	112.1	V364 A365 N366 I376 L392 T393 G395 C412 V413 V415	V364-Y397 HydrophobicContact CG1-CD1 3.48Å; V364-Y397 VanDerWaalsContact CG1-CD1 3.48Å; V364-Y397 HydrophobicContact CG1-CE1 4.32Å; V364-Y397 HydrophobicContact CG1-CG 4.01Å; A365-Y397 CarbonylContact O-C 3.58Å; A365-Y397 VanDerWaalsContact O-CA 3.24Å; A365-Y397 WeakPolarHBondContact O-CA 3Å; N366-Y397 HydrophobicContact CB-CD1 3.97Å; N366-Y397 HydrophobicContact CB-CE1 3.79Å; I376-Y397 HydrophobicContact CD1-CE1 4.19Å; L392-Y397 HydrophobicContact CB-CE2 4.04Å; L392-Y397 HydrophobicContact CD1-CD1 4.34Å; L392-Y397 HydrophobicContact CD1-CD2 3.9Å; L392-Y397 HydrophobicContact CD1-CE1 4.44Å; L392-Y397 HydrophobicContact CD1-CE2 4.01Å; L392-Y397 HydrophobicContact CD1-CG 4.06Å; L392-Y397 HydrophobicContact CD2-CD1 4.32Å; L392-Y397 HydrophobicContact CD2-CE1 3.95Å; L392-Y397 HydrophobicContact CG-CE2 4.46Å; T393-Y397 WeakPolarHBondContact O-CE2 3.14Å; T393-Y397 PolarHBondContact O-OH 3.29Å; T393-Y397 PolarHBondContact OG1-OH 2.93Å; G395-Y397 WeakPolarHBondContact O-CD2 3.29Å; G395-Y397 WeakPolarHBondContact O-CE2 3.5Å; Y397-C412 WeakPolarHBondContact O-CA 3.4Å; Y397-V413 HydrophobicContact CD2-CG2 4.32Å; Y397-V413 PolarHBondContact N-O 3.02Å; Y397-V413 PolarHBondContact O-N 3.21Å; Y397-V415 HydrophobicContact CD2-CG2 3.97Å; Y397-V415 HydrophobicContact CE2-CB 4.23Å; Y397-V415 HydrophobicContact CE2-CG2 3.97Å
398	I	92.2	Very high	95.7	Very high	6 Å²	6	30 Å²	30	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.8	159.9	-56	-179.1	0	0	0	107	V364 A365 I367 L373 I410 Q472	V364-I398 CarbonylContact C-O 3.56Å; V364-I398 WeakPolarHBondContact CA-O 3.39Å; A365-I398 HydrophobicContact CB-CB 4.47Å; A365-I398 PolarHBondContact N-O 2.8Å; A365-I398 PolarHBondContact O-N 3.14Å; I367-I398 HydrophobicContact CD1-CD1 4.48Å; I367-I398 HydrophobicContact CD1-CG1 3.78Å; I367-I398 HydrophobicContact CG1-CG1 4.26Å; I367-I398 HydrophobicContact CG2-CD1 3.99Å; I367-I398 HydrophobicContact CG2-CG1 3.97Å; L373-I398 HydrophobicContact CD1-CD1 4.16Å; I398-I410 HydrophobicContact CG2-CG2 3.69Å; I398-Q472 HydrophobicContact CD1-CB 4.24Å
399	V	95.3	Very high	95.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.4	-178.3	-172.4	0	0	0	0	107.9	I342 I362 K363 V364 I410 A411 V413 F433	I342-V399 HydrophobicContact CD1-CB 4.31Å; I342-V399 HydrophobicContact CD1-CG1 3.83Å; I342-V399 HydrophobicContact CD1-CG2 3.54Å; I362-V399 HydrophobicContact CG2-CG1 3.71Å; K363-V399 CarbonylContact O-C 3.54Å; K363-V399 WeakPolarHBondContact O-CA 3.48Å; V364-V399 HydrophobicContact CG2-CG1 4.34Å; V364-V399 HydrophobicContact CG2-CG2 4.36Å; V399-I410 CarbonylContact O-C 3.5Å; V399-I410 WeakPolarHBondContact O-CA 3.49Å; V399-A411 HydrophobicContact CB-CB 4.4Å; V399-A411 PolarHBondContact N-O 3.27Å; V399-A411 PolarHBondContact O-N 3.3Å; V399-V413 HydrophobicContact CG2-CG1 4.16Å; V399-V413 HydrophobicContact CG2-CG2 3.66Å; V399-F433 HydrophobicContact CB-CZ 4.11Å; V399-F433 HydrophobicContact CG1-CE2 4.05Å; V399-F433 HydrophobicContact CG1-CZ 3.73Å
400	T	94.7	Very high	94.7	Very high	29 Å²	29	30.4 Å²	30.4	18%	0.178	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.1	179.5	-56.8	0	0	0	0	109.3	I362 K363 P408 A409 I410	I362-T400 WeakPolarHBondContact CA-O 3.22Å; K363-T400 PolarHBondContact N-O 2.75Å; K363-T400 PolarHBondContact O-N 3.2Å; T400-P408 HydrophobicContact CG2-CB 3.95Å; T400-A409 WeakPolarHBondContact CA-O 3.34Å; T400-I410 HydrophobicContact CG2-CG1 4.15Å
401	A	97.2	Very high	94.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.7	168.2	0	0	0	0	0	109.7	V346 I361 I362 P408 A409 F433 L435	V346-A401 HydrophobicContact CG1-CB 4.48Å; V346-A401 HydrophobicContact CG2-CB 4.07Å; I361-A401 WeakPolarHBondContact O-CA 3.39Å; I362-A401 HydrophobicContact CD1-CB 3.76Å; A401-P408 CarbonylContact O-C 3.54Å; A401-P408 VanDerWaalsContact O-CA 3.25Å; A401-P408 WeakPolarHBondContact O-CA 3.42Å; A401-A409 PolarHBondContact N-O 2.95Å; A401-A409 PolarHBondContact O-N 3.5Å; A401-F433 HydrophobicContact CB-CB 3.74Å; A401-F433 HydrophobicContact CB-CD1 3.71Å; A401-F433 HydrophobicContact CB-CD2 3.54Å; A401-F433 HydrophobicContact CB-CE1 4.14Å; A401-F433 HydrophobicContact CB-CE2 3.97Å; A401-F433 HydrophobicContact CB-CG 3.37Å; A401-F433 HydrophobicContact CB-CZ 4.26Å; A401-L435 HydrophobicContact CB-CD2 4.15Å
402	S	96.5	Very high	93.8	Very high	21 Å²	21	31.7 Å²	31.7	15%	0.147	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	146.6	-179	55	0	0	0	0	111.6	A360 I361	A360-S402 CarbonylContact C-O 3.31Å; A360-S402 WeakPolarHBondContact CA-O 3.34Å; I361-S402 PolarHBondContact N-O 3.17Å; I361-S402 PolarHBondContact O-N 2.91Å; I361-S402 PolarHBondContact O-OG 2.98Å
403	A	96.8	Very high	93.5	Very high	18 Å²	18	32 Å²	32	15%	0.149	19%	0.185	C	C	.	.			trans	-151.3	152.4	175.1	0	0	0	0	0	109.6	V357 A360 F406 L435	V357-A403 HydrophobicContact CG1-CB 3.63Å; A360-A403 HydrophobicContact CB-CB 4.08Å; A403-F406 HydrophobicContact CB-CD2 4.01Å; A403-F406 PolarHBondContact O-N 3.17Å; A403-F406 VanDerWaalsContact O-N 3.11Å; A403-L435 HydrophobicContact CB-CD1 3.84Å
404	D	94	Very high	93.2	Very high	165 Å²	165	33.9 Å²	33.9	88%	0.882	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	138.3	179.9	-74.1	-12.9	0	0	0	111.7	F406	D404-F406 VanDerWaalsContact O-CD2 3.28Å; D404-F406 WeakPolarHBondContact O-CD2 3.22Å; D404-F406 PolarHBondContact O-N 3.24Å
405	G	92.3	Very high	93.2	Very high	50 Å²	50	28.7 Å²	28.7	52%	0.515	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	-9.5	-176.8	0	0	0	0	0	114.8	T438	G405-T438 PolarHBondContact O-N 2.86Å; G405-T438 PolarHBondContact O-OG1 3.26Å
406	F	92.5	Very high	93.1	Very high	38 Å²	38	34.7 Å²	34.7	17%	0.167	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	156.8	178.5	-61.2	-89.5	0	0	0	113.6	A403 D404 L435 L436 P437	A403-F406 HydrophobicContact CB-CD2 4.01Å; A403-F406 PolarHBondContact O-N 3.17Å; A403-F406 VanDerWaalsContact O-N 3.11Å; D404-F406 VanDerWaalsContact O-CD2 3.28Å; D404-F406 WeakPolarHBondContact O-CD2 3.22Å; D404-F406 PolarHBondContact O-N 3.24Å; F406-L435 HydrophobicContact CB-CB 3.75Å; F406-L435 HydrophobicContact CB-CD1 4.25Å; F406-L435 HydrophobicContact CD1-CB 3.84Å; F406-L435 WeakPolarHBondContact CD1-O 3.37Å; F406-L435 HydrophobicContact CG-CB 3.9Å; F406-L436 CarbonylContact C-O 3.56Å; F406-L436 WeakPolarHBondContact CA-O 3.36Å; F406-P437 HydrophobicContact CD1-CB 4.49Å
407	I	89.9	Confident	93.1	Very high	9 Å²	9	33.3 Å²	33.3	5%	0.046	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.2	170.4	-56.6	169.1	0	0	0	107.7	L436 T438 S461 W485	I407-L436 HydrophobicContact CD1-CB 4.47Å; I407-L436 PolarHBondContact N-O 3.42Å; I407-T438 HydrophobicContact CG1-CG2 4.23Å; I407-S461 WeakPolarHBondContact O-CB 3.42Å; I407-S461 PolarHBondContact O-OG 2.98Å; I407-W485 HydrophobicContact CB-CH2 4.12Å; I407-W485 HydrophobicContact CD1-CH2 3.63Å; I407-W485 HydrophobicContact CD1-CZ3 4.09Å; I407-W485 HydrophobicContact CG1-CH2 3.7Å; I407-W485 HydrophobicContact CG1-CZ2 4.42Å; I407-W485 HydrophobicContact CG2-CH2 3.31Å; I407-W485 HydrophobicContact CG2-CZ2 3.56Å; I407-W485 HydrophobicContact CG2-CZ3 4.12Å
408	P	91.3	Very high	93.2	Very high	58 Å²	58	35.1 Å²	35.1	38%	0.377	20%	0.202	S	C	.	.			trans	-60.9	151.1	176	-25.2	35.1	0	0	0	113.7	T400 A401 S461	T400-P408 HydrophobicContact CG2-CB 3.95Å; A401-P408 CarbonylContact O-C 3.54Å; A401-P408 VanDerWaalsContact O-CA 3.25Å; A401-P408 WeakPolarHBondContact O-CA 3.42Å; P408-S461 WeakPolarHBondContact O-CA 3.43Å
409	A	89.1	Confident	93.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147.3	172.2	0	0	0	0	0	110.2	T400 A401 F433 L435	T400-A409 WeakPolarHBondContact CA-O 3.34Å; A401-A409 PolarHBondContact N-O 2.95Å; A401-A409 PolarHBondContact O-N 3.5Å; A409-F433 HydrophobicContact CB-CB 4.49Å; A409-F433 HydrophobicContact CB-CD1 3.73Å; A409-L435 HydrophobicContact CB-CD2 3.62Å
410	I	88.6	Confident	93.6	Very high	19 Å²	19	36.8 Å²	36.8	10%	0.097	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.6	-170.6	-59	176.3	0	0	0	110.6	I398 V399 T400 H459 L464 Y473	I398-I410 HydrophobicContact CG2-CG2 3.69Å; V399-I410 CarbonylContact O-C 3.5Å; V399-I410 WeakPolarHBondContact O-CA 3.49Å; T400-I410 HydrophobicContact CG2-CG1 4.15Å; I410-H459 PolarHBondContact O-ND1 3.09Å; I410-L464 HydrophobicContact CB-CD2 4.35Å; I410-L464 HydrophobicContact CG2-CD2 4.24Å; I410-Y473 HydrophobicContact CD1-CD2 3.52Å; I410-Y473 HydrophobicContact CD1-CE2 3.14Å
411	A	89.4	Confident	93.6	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.6	173.3	0	0	0	0	0	110.2	V399 V413 V431 F433 H459	V399-A411 HydrophobicContact CB-CB 4.4Å; V399-A411 PolarHBondContact N-O 3.27Å; V399-A411 PolarHBondContact O-N 3.3Å; A411-V413 HydrophobicContact CB-CG1 4.09Å; A411-V431 HydrophobicContact CB-CG1 3.66Å; A411-F433 HydrophobicContact CB-CE1 3.72Å; A411-F433 HydrophobicContact CB-CZ 3.71Å; A411-H459 HydrophobicContact CB-CB 4.35Å; A411-H459 VanDerWaalsContact CB-CE1 3.43Å; A411-H459 WeakPolarHBondContact CB-CE1 3.3Å; A411-H459 WeakPolarHBondContact CB-ND1 3.32Å
412	C	88.5	Confident	93.5	Very high	29 Å²	29	43.5 Å²	43.5	20%	0.196	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.8	164.6	-75.9	0	0	0	0	108.4	Y397 C469	Y397-C412 WeakPolarHBondContact O-CA 3.4Å; C412-C469 HydrophobicContact CB-CB 3.82Å; C412-C469 WeakPolarHBondContact CB-SG 3.11Å; C412-C469 WeakPolarHBondContact SG-CA 3.22Å; C412-C469 WeakPolarHBondContact SG-CB 3.43Å; C412-C469 CovalentContact SG-SG 2.05Å; C412-C469 PolarHBondContact SG-SG 2.74Å
413	V	91.9	Very high	93.4	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.055	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.9	-170.4	-54.7	0	0	0	0	110.1	I342 K396 Y397 V399 A411 V431	I342-V413 HydrophobicContact CG2-CB 4.45Å; I342-V413 HydrophobicContact CG2-CG2 4.08Å; K396-V413 CarbonylContact C-O 3.59Å; K396-V413 WeakPolarHBondContact CA-O 3.29Å; Y397-V413 HydrophobicContact CD2-CG2 4.32Å; Y397-V413 PolarHBondContact N-O 3.02Å; Y397-V413 PolarHBondContact O-N 3.21Å; V399-V413 HydrophobicContact CG2-CG1 4.16Å; V399-V413 HydrophobicContact CG2-CG2 3.66Å; A411-V413 HydrophobicContact CB-CG1 4.09Å; V413-V431 HydrophobicContact CG1-CG1 4.1Å; V413-V431 HydrophobicContact CG1-CG2 3.68Å
414	D	94	Very high	93.3	Very high	50 Å²	50	47.2 Å²	47.2	27%	0.267	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	104.4	174.9	-163.4	-20.1	0	0	0	108.9	K396 H416 Q429	K396-D414 WeakPolarHBondContact CE-OD2 3.42Å; K396-D414 HydrophobicContact CG-CB 4.25Å; D414-H416 PolarHBondContact O-CD2 3.08Å; D414-H416 PolarHBondContact O-N 2.95Å; D414-H416 IonicContact OD1-CE1 3.52Å; D414-H416 PolarHBondContact OD1-CE1 2.9Å; D414-H416 IonicContact OD1-ND1 2.78Å; D414-H416 PolarHBondContact OD1-ND1 3.32Å; D414-H416 IonicContact OD1-NE2 2.64Å; D414-H416 IonicContact OD2-CE1 3.02Å; D414-H416 PolarHBondContact OD2-CE1 3.34Å; D414-H416 IonicContact OD2-ND1 3.32Å; D414-H416 IonicContact OD2-NE2 3.93Å; D414-Q429 PolarHBondContact O-OE1 3.15Å
415	V	97.1	Very high	93.5	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.03	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	106	-179.4	-179.6	0	0	0	0	108	I342 L392 K394 G395 Y397	I342-V415 HydrophobicContact CG2-CG2 3.93Å; L392-V415 HydrophobicContact CD1-CG2 4.3Å; K394-V415 CarbonylContact C-O 3.55Å; K394-V415 WeakPolarHBondContact CA-O 3.37Å; K394-V415 WeakPolarHBondContact CB-O 3.4Å; G395-V415 PolarHBondContact N-O 2.94Å; G395-V415 PolarHBondContact O-N 3.09Å; Y397-V415 HydrophobicContact CD2-CG2 3.97Å; Y397-V415 HydrophobicContact CE2-CB 4.23Å; Y397-V415 HydrophobicContact CE2-CG2 3.97Å
416	H	95.3	Very high	93.7	Very high	135 Å²	135	42.2 Å²	42.2	63%	0.625	24%	0.236	S	C	*	.			trans	-96	-13.9	-176.2	-62.3	-60.6	0	0	0	114.7	K394 D414	K394-H416 WeakPolarHBondContact CD-O 2.95Å; K394-H416 WeakPolarHBondContact CE-O 3.48Å; D414-H416 PolarHBondContact O-CD2 3.08Å; D414-H416 PolarHBondContact O-N 2.95Å; D414-H416 IonicContact OD1-CE1 3.52Å; D414-H416 PolarHBondContact OD1-CE1 2.9Å; D414-H416 IonicContact OD1-ND1 2.78Å; D414-H416 PolarHBondContact OD1-ND1 3.32Å; D414-H416 IonicContact OD1-NE2 2.64Å; D414-H416 IonicContact OD2-CE1 3.02Å; D414-H416 PolarHBondContact OD2-CE1 3.34Å; D414-H416 IonicContact OD2-ND1 3.32Å; D414-H416 IonicContact OD2-NE2 3.93Å
417	Y	95.1	Very high	93.9	Very high	55 Å²	55	43.4 Å²	43.4	22%	0.216	24%	0.242	C	C	.	.			trans	-119.3	134.5	-166.6	-173.1	-111.1	0	0	0	112.8	P419 P424 L426	Y417-P419 HydrophobicContact CD1-CG 4.42Å; Y417-P419 VanDerWaalsContact CE1-CA 3.45Å; Y417-P419 HydrophobicContact CE1-CB 4.09Å; Y417-P419 HydrophobicContact CE1-CG 4.16Å; Y417-P424 HydrophobicContact CE2-CG 4.19Å; Y417-P424 PolarHBondContact OH-O 3.05Å; Y417-L426 HydrophobicContact CD1-CB 3.78Å; Y417-L426 HydrophobicContact CD1-CD1 3.89Å; Y417-L426 HydrophobicContact CD1-CG 4.3Å; Y417-L426 HydrophobicContact CD2-CD1 3.8Å; Y417-L426 HydrophobicContact CE1-CB 3.67Å; Y417-L426 HydrophobicContact CE1-CD1 4.03Å; Y417-L426 HydrophobicContact CE1-CG 4.09Å; Y417-L426 HydrophobicContact CE2-CD1 3.99Å; Y417-L426 HydrophobicContact CG-CB 4.49Å; Y417-L426 HydrophobicContact CG-CD1 3.77Å
418	T	96.5	Very high	94.3	Very high	41 Å²	41	43.4 Å²	43.4	25%	0.252	24%	0.244	S	C	.	.			trans	-113	123.5	166.5	-56.2	0	0	0	0	107	K394	K394-T418 VanDerWaalsContact CE-OG1 3.23Å; K394-T418 WeakPolarHBondContact CE-OG1 3.19Å; K394-T418 WeakPolarHBondContact CG-OG1 3.4Å
419	P	97.9	Very high	94.6	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.032	24%	0.243	C	C	.	.			trans	-60.2	142.4	-179.7	-20	30.7	0	0	0	113.2	L336 Q337 H339 R340 Y417	L336-P419 HydrophobicContact CD2-CB 4.06Å; L336-P419 HydrophobicContact CG-CB 3.76Å; L336-P419 WeakPolarHBondContact O-CB 3.46Å; Q337-P419 PolarHBondContact NE2-O 3.23Å; H339-P419 HydrophobicContact CB-CG 4.4Å; R340-P419 VanDerWaalsContact CB-CD 3.47Å; R340-P419 HydrophobicContact CB-CG 3.79Å; Y417-P419 HydrophobicContact CD1-CG 4.42Å; Y417-P419 VanDerWaalsContact CE1-CA 3.45Å; Y417-P419 HydrophobicContact CE1-CB 4.09Å; Y417-P419 HydrophobicContact CE1-CG 4.16Å
420	S	96.8	Very high	94.9	Very high	35 Å²	35	48 Å²	48	25%	0.245	26%	0.26	C	S	.	.			trans	-152.6	139.6	176	-179.2	0	0	0	0	110.3	N333 L336 N422 G423	N333-S420 WeakPolarHBondContact OD1-CA 3.44Å; L336-S420 WeakPolarHBondContact CD2-O 3.1Å; S420-N422 PolarHBondContact O-N 3.05Å; S420-N422 VanDerWaalsContact O-N 3.15Å; S420-N422 PolarHBondContact OG-N 3.36Å; S420-G423 WeakPolarHBondContact O-CA 3.33Å; S420-G423 PolarHBondContact O-N 3.33Å
421	I	95.7	Very high	95.2	Very high	35 Å²	35	47.3 Å²	47.3	18%	0.179	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-22	176.1	-161.8	168.2	0	0	0	112.8	F118 K257 M329 L332 N333	F118-I421 HydrophobicContact CE1-CD1 4.44Å; F118-I421 HydrophobicContact CE2-CG1 4.36Å; F118-I421 HydrophobicContact CZ-CD1 4.4Å; F118-I421 HydrophobicContact CZ-CG1 4.17Å; K257-I421 HydrophobicContact CD-CG2 4.33Å; M329-I421 HydrophobicContact SD-CD1 3.8Å; L332-I421 HydrophobicContact CB-CD1 3.74Å; L332-I421 HydrophobicContact CD1-CD1 4.29Å; N333-I421 HydrophobicContact CB-CB 4.18Å; N333-I421 HydrophobicContact CB-CG2 4.19Å; N333-I421 PolarHBondContact OD1-N 2.97Å
422	N	94.5	Very high	95.4	Very high	136 Å²	136	47.5 Å²	47.5	73%	0.727	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.2	175.2	-64.9	-13.9	0	0	0	112.8	K257 S420	K257-N422 PolarHBondContact NZ-ND2 3.18Å; K257-N422 VanDerWaalsContact NZ-ND2 3.13Å; S420-N422 PolarHBondContact O-N 3.05Å; S420-N422 VanDerWaalsContact O-N 3.15Å; S420-N422 PolarHBondContact OG-N 3.36Å
423	G	94.2	Very high	95.7	Very high	35 Å²	35	46.1 Å²	46.1	36%	0.361	25%	0.248	S	C	.	.	S	Bend	trans	-105.3	-179.8	-179.2	0	0	0	0	0	112.8	S420	S420-G423 WeakPolarHBondContact O-CA 3.33Å; S420-G423 PolarHBondContact O-N 3.33Å
424	P	95.5	Very high	95.7	Very high	81 Å²	81	45.8 Å²	45.8	53%	0.526	25%	0.246	S	C	.	.			trans	-64.3	145.6	171.6	28.8	-34.4	0	0	0	111	Y417 L426	Y417-P424 HydrophobicContact CE2-CG 4.19Å; Y417-P424 PolarHBondContact OH-O 3.05Å; P424-L426 HydrophobicContact CB-CD2 4.43Å; P424-L426 HydrophobicContact CB-CG 4.22Å; P424-L426 HydrophobicContact CG-CD1 4.06Å; P424-L426 HydrophobicContact CG-CG 4.1Å; P424-L426 PolarHBondContact O-N 3.39Å; P424-L426 VanDerWaalsContact O-N 3.15Å
425	F	97.2	Very high	95.6	Very high	32 Å²	32	43.4 Å²	43.4	14%	0.14	23%	0.233	C	C	.	.			trans	-73.9	108.1	168.6	-170.5	-72.9	0	0	0	108.4	F118 R121 L122 R125 L336 H339 E427	F118-F425 HydrophobicContact CD2-CD2 4.47Å; F118-F425 HydrophobicContact CE2-CD2 4.3Å; R121-F425 HydrophobicContact CB-CD1 4.32Å; R121-F425 HydrophobicContact CB-CD2 4.04Å; R121-F425 HydrophobicContact CB-CE2 4.32Å; R121-F425 HydrophobicContact CB-CG 4.05Å; L122-F425 HydrophobicContact CB-CE2 4.29Å; L122-F425 HydrophobicContact CD1-CE2 3.93Å; R125-F425 HydrophobicContact CB-CE1 3.79Å; R125-F425 HydrophobicContact CB-CZ 3.77Å; R125-F425 HydrophobicContact CG-CE1 3.9Å; R125-F425 HydrophobicContact CG-CZ 4.29Å; L336-F425 HydrophobicContact CD1-CD2 3.42Å; L336-F425 VanDerWaalsContact CD1-CD2 3.42Å; L336-F425 HydrophobicContact CD1-CE2 3.33Å; L336-F425 HydrophobicContact CD1-CG 4.31Å; L336-F425 HydrophobicContact CD1-CZ 4.15Å; H339-F425 AromaticContact CD2-CZ 3.73Å; H339-F425 AromaticContact NE2-CZ 3.63Å; F425-E427 HydrophobicContact CE1-CG 4.07Å
426	L	97	Very high	95.3	Very high	78 Å²	78	43.2 Å²	43.2	41%	0.408	23%	0.232	S	C	.	.			trans	-122.2	132.1	174.1	-57.4	176.8	0	0	0	108.4	H339 Y417 P424	H339-L426 WeakPolarHBondContact CB-O 3.46Å; Y417-L426 HydrophobicContact CD1-CB 3.78Å; Y417-L426 HydrophobicContact CD1-CD1 3.89Å; Y417-L426 HydrophobicContact CD1-CG 4.3Å; Y417-L426 HydrophobicContact CD2-CD1 3.8Å; Y417-L426 HydrophobicContact CE1-CB 3.67Å; Y417-L426 HydrophobicContact CE1-CD1 4.03Å; Y417-L426 HydrophobicContact CE1-CG 4.09Å; Y417-L426 HydrophobicContact CE2-CD1 3.99Å; Y417-L426 HydrophobicContact CG-CB 4.49Å; Y417-L426 HydrophobicContact CG-CD1 3.77Å; P424-L426 HydrophobicContact CB-CD2 4.43Å; P424-L426 HydrophobicContact CB-CG 4.22Å; P424-L426 HydrophobicContact CG-CD1 4.06Å; P424-L426 HydrophobicContact CG-CG 4.1Å; P424-L426 PolarHBondContact O-N 3.39Å; P424-L426 VanDerWaalsContact O-N 3.15Å
427	E	97.4	Very high	95	Very high	64 Å²	64	37.9 Å²	37.9	30%	0.299	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-73.5	163.3	170.4	-61.4	175.9	-112.5	0	0	110.3	R125 H339 K343 F425	R125-E427 HydrophobicContact CB-CG 4.41Å; R125-E427 WeakPolarHBondContact CD-OE1 3.42Å; R125-E427 HydrophobicContact CG-CG 4.37Å; R125-E427 IonicContact CZ-OE1 3.12Å; R125-E427 IonicContact NE-OE1 3.02Å; R125-E427 PolarHBondContact NE-OE1 3.12Å; R125-E427 IonicContact NH1-OE1 3.65Å; H339-E427 CarbonylContact O-C 3.59Å; K343-E427 IonicContact NZ-OE2 3.9Å; K343-E427 PolarHBondContact NZ-OE2 3.01Å; F425-E427 HydrophobicContact CE1-CG 4.07Å
428	A	97.9	Very high	94.6	Very high	9 Å²	9	40 Å²	40	7%	0.074	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-56	146.8	175	0	0	0	0	0	111.5	H339 K343 Q430	H339-A428 WeakPolarHBondContact O-CA 3.26Å; H339-A428 WeakPolarHBondContact O-CB 3.39Å; H339-A428 PolarHBondContact O-N 3.38Å; K343-A428 HydrophobicContact CB-CB 4.02Å; K343-A428 HydrophobicContact CD-CB 4.23Å; K343-A428 HydrophobicContact CG-CB 3.92Å; A428-Q430 PolarHBondContact O-N 3.29Å
429	Q	96.4	Very high	94	Very high	80 Å²	80	43.8 Å²	43.8	37%	0.374	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	126	-178.8	174.3	-177.6	4.6	0	0	109.8	G341 I342 K343 D414 V431	G341-Q429 PolarHBondContact O-N 2.93Å; I342-Q429 CarbonylContact C-O 3.58Å; I342-Q429 VanDerWaalsContact CA-O 3.26Å; I342-Q429 WeakPolarHBondContact CA-O 3.45Å; I342-Q429 HydrophobicContact CG2-CB 4.25Å; K343-Q429 PolarHBondContact N-O 3.44Å; D414-Q429 PolarHBondContact O-OE1 3.15Å; Q429-V431 HydrophobicContact CG-CG2 4.2Å; Q429-V431 PolarHBondContact O-N 3.42Å
430	Q	95.6	Very high	93	Very high	74 Å²	74	45 Å²	45	35%	0.346	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	123.5	-177.3	-170.1	171.2	9.1	0	0	111.6	K343 A428 N432 K456	K343-Q430 CarbonylContact O-C 3.52Å; K343-Q430 WeakPolarHBondContact O-CA 3.26Å; A428-Q430 PolarHBondContact O-N 3.29Å; Q430-N432 PolarHBondContact NE2-ND2 3.05Å; Q430-N432 PolarHBondContact NE2-OD1 2.81Å; Q430-K456 HydrophobicContact CB-CD 4.38Å; Q430-K456 HydrophobicContact CG-CD 4.48Å
431	V	94.6	Very high	91.6	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.03	28%	0.28	C	S	.	.			trans	-136.7	102.2	-179.1	-179	0	0	0	0	108.1	I342 K343 Y388 A411 V413 Q429 F433	I342-V431 HydrophobicContact CB-CG2 4.27Å; I342-V431 HydrophobicContact CG2-CG2 4.15Å; K343-V431 PolarHBondContact O-N 2.92Å; Y388-V431 WeakPolarHBondContact CE1-O 3.26Å; Y388-V431 WeakPolarHBondContact OH-CB 3.48Å; Y388-V431 PolarHBondContact OH-O 2.79Å; A411-V431 HydrophobicContact CB-CG1 3.66Å; V413-V431 HydrophobicContact CG1-CG1 4.1Å; V413-V431 HydrophobicContact CG1-CG2 3.68Å; Q429-V431 HydrophobicContact CG-CG2 4.2Å; Q429-V431 PolarHBondContact O-N 3.42Å; V431-F433 HydrophobicContact CG1-CE2 3.91Å; V431-F433 HydrophobicContact CG1-CZ 3.85Å
432	N	94.3	Very high	90.1	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	146.3	-175.7	-53.9	-46.1	0	0	0	110.8	G344 T345 Q430 F458 H459	G344-N432 WeakPolarHBondContact CA-OD1 3.48Å; T345-N432 PolarHBondContact N-OD1 3.27Å; T345-N432 WeakPolarHBondContact O-CA 3.36Å; Q430-N432 PolarHBondContact NE2-ND2 3.05Å; Q430-N432 PolarHBondContact NE2-OD1 2.81Å; N432-F458 HydrophobicContact CB-CD1 3.56Å; N432-F458 HydrophobicContact CB-CE1 3.51Å; N432-F458 HydrophobicContact CB-CG 4.23Å; N432-F458 HydrophobicContact CB-CZ 4.17Å; N432-F458 WeakPolarHBondContact O-CA 3.46Å; N432-H459 PolarHBondContact O-N 2.75Å
433	F	93.9	Very high	88.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.8	-179.2	-65.4	-83.2	0	0	0	111.7	T345 V346 Y347 I362 Y388 V399 A401 A409 A411 V431 H459	T345-F433 PolarHBondContact O-N 2.62Å; V346-F433 HydrophobicContact CG1-CB 4.37Å; V346-F433 HydrophobicContact CG2-CB 4.27Å; V346-F433 HydrophobicContact CG2-CD2 4.25Å; Y347-F433 PolarHBondContact N-O 3.27Å; I362-F433 HydrophobicContact CD1-CD2 4.49Å; I362-F433 HydrophobicContact CD1-CE2 4.46Å; Y388-F433 HydrophobicContact CE1-CD2 4.06Å; Y388-F433 HydrophobicContact CE1-CE2 4.13Å; Y388-F433 AromaticContact CZ-CE2 3.94Å; Y388-F433 WeakPolarHBondContact OH-CE2 3.38Å; V399-F433 HydrophobicContact CB-CZ 4.11Å; V399-F433 HydrophobicContact CG1-CE2 4.05Å; V399-F433 HydrophobicContact CG1-CZ 3.73Å; A401-F433 HydrophobicContact CB-CB 3.74Å; A401-F433 HydrophobicContact CB-CD1 3.71Å; A401-F433 HydrophobicContact CB-CD2 3.54Å; A401-F433 HydrophobicContact CB-CE1 4.14Å; A401-F433 HydrophobicContact CB-CE2 3.97Å; A401-F433 HydrophobicContact CB-CG 3.37Å; A401-F433 HydrophobicContact CB-CZ 4.26Å; A409-F433 HydrophobicContact CB-CB 4.49Å; A409-F433 HydrophobicContact CB-CD1 3.73Å; A411-F433 HydrophobicContact CB-CE1 3.72Å; A411-F433 HydrophobicContact CB-CZ 3.71Å; V431-F433 HydrophobicContact CG1-CE2 3.91Å; V431-F433 HydrophobicContact CG1-CZ 3.85Å; F433-H459 WeakPolarHBondContact CA-O 3.46Å; F433-H459 HydrophobicContact CD1-CB 3.64Å; F433-H459 HydrophobicContact CE1-CB 3.83Å
434	L	92.2	Very high	86.8	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	112.8	169	174.6	61.1	0	0	0	109	Y347 Y354 I451 F458 H459 I460 S461	Y347-L434 CarbonylContact O-C 3.58Å; Y347-L434 WeakPolarHBondContact O-CA 3.44Å; Y354-L434 HydrophobicContact CD1-CD1 3.46Å; Y354-L434 VanDerWaalsContact CD1-CD1 3.46Å; Y354-L434 HydrophobicContact CD1-CD2 4.34Å; Y354-L434 HydrophobicContact CE1-CD1 3.72Å; Y354-L434 HydrophobicContact CE1-CD2 3.72Å; Y354-L434 HydrophobicContact CE1-CG 4.38Å; L434-I451 HydrophobicContact CD2-CD1 4.42Å; L434-F458 HydrophobicContact CB-CB 4.22Å; L434-F458 HydrophobicContact CB-CD1 4.16Å; L434-F458 HydrophobicContact CB-CG 4.43Å; L434-H459 PolarHBondContact N-O 3.3Å; L434-I460 HydrophobicContact CB-CG1 4.28Å; L434-I460 HydrophobicContact CD2-CD1 4.4Å; L434-I460 HydrophobicContact CD2-CG1 4.29Å; L434-I460 HydrophobicContact CD2-CG2 4.36Å; L434-I460 WeakPolarHBondContact O-CA 3.16Å; L434-S461 PolarHBondContact O-N 3.16Å; L434-S461 PolarHBondContact O-OG 3.28Å
435	L	93.2	Very high	84.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.2	179.7	-53.8	-173.2	0	0	0	110.9	V346 Y347 G348 Y349 A401 A403 F406 A409 S461	V346-L435 HydrophobicContact CG1-CD1 3.54Å; V346-L435 HydrophobicContact CG1-CD2 4.49Å; V346-L435 HydrophobicContact CG1-CG 3.7Å; Y347-L435 PolarHBondContact O-N 3.25Å; G348-L435 CarbonylContact C-O 3.51Å; G348-L435 WeakPolarHBondContact CA-O 3.49Å; Y349-L435 PolarHBondContact N-O 3.44Å; A401-L435 HydrophobicContact CB-CD2 4.15Å; A403-L435 HydrophobicContact CB-CD1 3.84Å; F406-L435 HydrophobicContact CB-CB 3.75Å; F406-L435 HydrophobicContact CB-CD1 4.25Å; F406-L435 HydrophobicContact CD1-CB 3.84Å; F406-L435 WeakPolarHBondContact CD1-O 3.37Å; F406-L435 HydrophobicContact CG-CB 3.9Å; A409-L435 HydrophobicContact CB-CD2 3.62Å; L435-S461 WeakPolarHBondContact CA-OG 3.26Å
436	L	90.2	Very high	82.9	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	145	175	-58.5	-179.5	0	0	0	110.5	Y349 F406 I407 F440 L446 I460 S461	Y349-L436 HydrophobicContact CG-CD2 4.38Å; F406-L436 CarbonylContact C-O 3.56Å; F406-L436 WeakPolarHBondContact CA-O 3.36Å; I407-L436 HydrophobicContact CD1-CB 4.47Å; I407-L436 PolarHBondContact N-O 3.42Å; L436-F440 HydrophobicContact CB-CB 4.46Å; L436-F440 HydrophobicContact CB-CG 4.4Å; L436-F440 HydrophobicContact CD1-CD1 4.11Å; L436-F440 HydrophobicContact CD1-CE1 4.15Å; L436-L446 HydrophobicContact CD1-CD1 3.95Å; L436-L446 HydrophobicContact CD1-CD2 4.12Å; L436-L446 HydrophobicContact CD2-CD2 4.08Å; L436-I460 HydrophobicContact CD1-CG2 3.92Å; L436-I460 HydrophobicContact CD2-CG2 4.36Å; L436-I460 HydrophobicContact CG-CG2 4.05Å; L436-S461 PolarHBondContact N-OG 3.4Å
437	P	89.8	Confident	80.8	Confident	24 Å²	24	61.5 Å²	61.5	16%	0.156	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	150.3	-178	29.2	-33.4	0	0	0	110.6	Y349 F406 N439 F440	Y349-P437 WeakPolarHBondContact O-CD 3.45Å; F406-P437 HydrophobicContact CD1-CB 4.49Å; P437-N439 WeakPolarHBondContact CB-OD1 3.44Å; P437-N439 PolarHBondContact O-N 2.95Å; P437-N439 VanDerWaalsContact O-N 3.1Å; P437-F440 HydrophobicContact CG-CB 4.04Å; P437-F440 HydrophobicContact CG-CD2 4.01Å; P437-F440 WeakPolarHBondContact O-CB 3.31Å; P437-F440 PolarHBondContact O-N 2.79Å
438	T	86.9	Confident	78.4	Confident	100 Å²	100	62.4 Å²	62.4	61%	0.613	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.3	-178.1	49.7	0	0	0	0	114.1	G405 I407	G405-T438 PolarHBondContact O-N 2.86Å; G405-T438 PolarHBondContact O-OG1 3.26Å; I407-T438 HydrophobicContact CG1-CG2 4.23Å
439	N	83.6	Confident	75.9	Confident	120 Å²	120	63.5 Å²	63.5	64%	0.642	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	12.1	176	69.9	-12	0	0	0	113.8	P437 K441	P437-N439 WeakPolarHBondContact CB-OD1 3.44Å; P437-N439 PolarHBondContact O-N 2.95Å; P437-N439 VanDerWaalsContact O-N 3.1Å; N439-K441 WeakPolarHBondContact O-CG 3.2Å; N439-K441 PolarHBondContact O-N 3.07Å; N439-K441 VanDerWaalsContact O-N 3.15Å
440	F	75.6	Confident	73.5	Confident	29 Å²	29	65.7 Å²	65.7	13%	0.127	34%	0.337	C	S	.	.			trans	-64.5	113.3	-177	-165	-102.2	0	0	0	111.1	Y349 L436 P437 R442 L446	Y349-F440 HydrophobicContact CD1-CD2 4.22Å; Y349-F440 AromaticContact CD1-CE2 3.75Å; Y349-F440 HydrophobicContact CD1-CE2 3.75Å; Y349-F440 HydrophobicContact CE1-CD2 4.43Å; Y349-F440 AromaticContact CE1-CE2 3.68Å; Y349-F440 HydrophobicContact CE1-CE2 3.68Å; L436-F440 HydrophobicContact CB-CB 4.46Å; L436-F440 HydrophobicContact CB-CG 4.4Å; L436-F440 HydrophobicContact CD1-CD1 4.11Å; L436-F440 HydrophobicContact CD1-CE1 4.15Å; P437-F440 HydrophobicContact CG-CB 4.04Å; P437-F440 HydrophobicContact CG-CD2 4.01Å; P437-F440 WeakPolarHBondContact O-CB 3.31Å; P437-F440 PolarHBondContact O-N 2.79Å; F440-R442 VanDerWaalsContact CE1-C 3.45Å; F440-R442 WeakPolarHBondContact CE1-O 3.34Å; F440-R442 VanDerWaalsContact CZ-O 3.22Å; F440-R442 WeakPolarHBondContact CZ-O 3.48Å; F440-L446 HydrophobicContact CE1-CD1 4.07Å; F440-L446 HydrophobicContact CE1-CG 4.16Å; F440-L446 HydrophobicContact CZ-CD2 4.48Å; F440-L446 HydrophobicContact CZ-CG 4.26Å
441	K	67.5	Low	71.3	Confident	195 Å²	195	64.7 Å²	64.7	85%	0.848	33%	0.334	S	S	*	.			trans	-102.4	-4.3	-176.5	-59.4	-168.7	179.1	-178.8	0	114.8	N439	N439-K441 WeakPolarHBondContact O-CG 3.2Å; N439-K441 PolarHBondContact O-N 3.07Å; N439-K441 VanDerWaalsContact O-N 3.15Å
442	R	64.5	Low	69.1	Low	163 Å²	163	67.8 Å²	67.8	62%	0.615	35%	0.354	S	S	*	.			trans	-125.5	68.8	-164.8	-79.9	-165.8	-88.7	-173.3	-7.2	112.6	F440 D444 V445	F440-R442 VanDerWaalsContact CE1-C 3.45Å; F440-R442 WeakPolarHBondContact CE1-O 3.34Å; F440-R442 VanDerWaalsContact CZ-O 3.22Å; F440-R442 WeakPolarHBondContact CZ-O 3.48Å; R442-D444 VanDerWaalsContact CA-OD1 3.23Å; R442-D444 WeakPolarHBondContact CA-OD1 3.33Å; R442-D444 WeakPolarHBondContact CB-OD1 3.4Å; R442-D444 PolarHBondContact O-N 3.21Å; R442-V445 HydrophobicContact CB-CB 4.34Å; R442-V445 HydrophobicContact CB-CG2 3.77Å; R442-V445 HydrophobicContact CG-CG2 4.37Å; R442-V445 PolarHBondContact O-N 2.89Å
443	Y	60.8	Low	66.5	Low	91 Å²	91	74 Å²	74	36%	0.357	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-63.8	-29.7	176	-75	-87.4	0	0	0	112.7	V445 L446 Y463	Y443-V445 PolarHBondContact O-N 3.03Å; Y443-L446 HydrophobicContact CD1-CD1 3.76Å; Y443-L446 WeakPolarHBondContact O-CB 3.35Å; Y443-L446 PolarHBondContact O-N 3.37Å; Y443-Y463 HydrophobicContact CD1-CE2 4.16Å; Y443-Y463 HydrophobicContact CE1-CE2 4.32Å
444	D	59.7	Low	64.2	Low	115 Å²	115	76.5 Å²	76.5	62%	0.615	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-55.6	-32.7	173.9	60.6	-40.5	0	0	0	113.3	R442 L446	R442-D444 VanDerWaalsContact CA-OD1 3.23Å; R442-D444 WeakPolarHBondContact CA-OD1 3.33Å; R442-D444 WeakPolarHBondContact CB-OD1 3.4Å; R442-D444 PolarHBondContact O-N 3.21Å; D444-L446 VanDerWaalsContact C-N 3.29Å; D444-L446 PolarHBondContact O-N 3.21Å
445	V	54.5	Low	61.8	Low	37 Å²	37	82.2 Å²	82.2	22%	0.224	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-70.5	-24	179.5	-178.8	0	0	0	0	111.7	R442 Y443 N447 S448 I449	R442-V445 HydrophobicContact CB-CB 4.34Å; R442-V445 HydrophobicContact CB-CG2 3.77Å; R442-V445 HydrophobicContact CG-CG2 4.37Å; R442-V445 PolarHBondContact O-N 2.89Å; Y443-V445 PolarHBondContact O-N 3.03Å; V445-N447 VanDerWaalsContact C-N 3.26Å; V445-N447 PolarHBondContact O-N 2.84Å; V445-S448 CarbonylContact O-C 3.4Å; V445-S448 WeakPolarHBondContact O-CA 3.35Å; V445-S448 PolarHBondContact O-N 3.48Å; V445-S448 PolarHBondContact O-OG 2.93Å; V445-I449 HydrophobicContact CG1-CD1 4.05Å; V445-I449 HydrophobicContact CG1-CG1 4Å; V445-I449 VanDerWaalsContact O-CG1 3.29Å; V445-I449 WeakPolarHBondContact O-CG1 3.48Å; V445-I449 PolarHBondContact O-N 3.4Å; V445-I449 VanDerWaalsContact O-N 3.09Å
446	L	55.8	Low	59.9	Low	20 Å²	20	86.9 Å²	86.9	11%	0.105	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-60.6	-32.8	-179.8	-70.6	159.6	0	0	0	113.4	L436 F440 Y443 D444 S448 I449 I460 Y463	L436-L446 HydrophobicContact CD1-CD1 3.95Å; L436-L446 HydrophobicContact CD1-CD2 4.12Å; L436-L446 HydrophobicContact CD2-CD2 4.08Å; F440-L446 HydrophobicContact CE1-CD1 4.07Å; F440-L446 HydrophobicContact CE1-CG 4.16Å; F440-L446 HydrophobicContact CZ-CD2 4.48Å; F440-L446 HydrophobicContact CZ-CG 4.26Å; Y443-L446 HydrophobicContact CD1-CD1 3.76Å; Y443-L446 WeakPolarHBondContact O-CB 3.35Å; Y443-L446 PolarHBondContact O-N 3.37Å; D444-L446 VanDerWaalsContact C-N 3.29Å; D444-L446 PolarHBondContact O-N 3.21Å; L446-S448 PolarHBondContact O-N 3.37Å; L446-I449 HydrophobicContact CD2-CD1 3.88Å; L446-I449 HydrophobicContact CG-CD1 4.34Å; L446-I449 WeakPolarHBondContact O-CB 3.47Å; L446-I449 PolarHBondContact O-N 3.22Å; L446-I460 HydrophobicContact CD2-CG2 4.41Å; L446-Y463 HydrophobicContact CD1-CE2 3.5Å; L446-Y463 VanDerWaalsContact CD1-CE2 3.5Å; L446-Y463 VanDerWaalsContact CD1-OH 3.22Å; L446-Y463 WeakPolarHBondContact CD1-OH 3.34Å
447	N	51.7	Low	59.1	Low	159 Å²	159	92.6 Å²	92.6	85%	0.85	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-67.3	-21.7	174.7	-71.6	-27.3	0	0	0	113.1	V445	V445-N447 VanDerWaalsContact C-N 3.26Å; V445-N447 PolarHBondContact O-N 2.84Å
448	S	46.9	Very low	58.4	Low	83 Å²	83	92.2 Å²	92.2	58%	0.58	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-97.7	-7.8	176.4	69.1	0	0	0	0	113.5	V445 L446 T450	V445-S448 CarbonylContact O-C 3.4Å; V445-S448 WeakPolarHBondContact O-CA 3.35Å; V445-S448 PolarHBondContact O-N 3.48Å; V445-S448 PolarHBondContact O-OG 2.93Å; L446-S448 PolarHBondContact O-N 3.37Å; S448-T450 PolarHBondContact O-N 3.46Å
449	I	47.1	Very low	58.2	Low	32 Å²	32	89.4 Å²	89.4	16%	0.164	48%	0.483	C	S	.	.			trans	-76.3	100.3	-177.5	-78.8	175.8	0	0	0	108.5	Y349 Y354 V445 L446 I451	Y349-I449 HydrophobicContact CE2-CD1 3.9Å; Y354-I449 HydrophobicContact CE1-CG2 4.44Å; Y354-I449 WeakPolarHBondContact OH-CG2 3.49Å; V445-I449 HydrophobicContact CG1-CD1 4.05Å; V445-I449 HydrophobicContact CG1-CG1 4Å; V445-I449 VanDerWaalsContact O-CG1 3.29Å; V445-I449 WeakPolarHBondContact O-CG1 3.48Å; V445-I449 PolarHBondContact O-N 3.4Å; V445-I449 VanDerWaalsContact O-N 3.09Å; L446-I449 HydrophobicContact CD2-CD1 3.88Å; L446-I449 HydrophobicContact CG-CD1 4.34Å; L446-I449 WeakPolarHBondContact O-CB 3.47Å; L446-I449 PolarHBondContact O-N 3.22Å; I449-I451 HydrophobicContact CG2-CG1 4.38Å; I449-I451 PolarHBondContact O-N 2.9Å
450	T	45.8	Very low	58.1	Low	126 Å²	126	85 Å²	85	77%	0.773	46%	0.459	S	S	*	.			trans	-76.1	104.9	167.3	-49.8	0	0	0	0	107.2	S448 P452	S448-T450 PolarHBondContact O-N 3.46Å; T450-P452 WeakPolarHBondContact O-CD 3.32Å
451	I	49.2	Very low	58.3	Low	53 Å²	53	83.6 Å²	83.6	27%	0.272	45%	0.453	S	S	.	.			trans	-66	122.1	170.7	-51.3	175.5	0	0	0	107.2	Y354 L434 I449 F458	Y354-I451 HydrophobicContact CE1-CG1 4.43Å; Y354-I451 HydrophobicContact CE1-CG2 4.42Å; Y354-I451 VanDerWaalsContact OH-CA 3.32Å; Y354-I451 WeakPolarHBondContact OH-CA 3.43Å; Y354-I451 WeakPolarHBondContact OH-CG1 3.3Å; L434-I451 HydrophobicContact CD2-CD1 4.42Å; I449-I451 HydrophobicContact CG2-CG1 4.38Å; I449-I451 PolarHBondContact O-N 2.9Å; I451-F458 HydrophobicContact CD1-CB 4.23Å; I451-F458 HydrophobicContact CD1-CD2 3.7Å; I451-F458 HydrophobicContact CD1-CE2 4.43Å; I451-F458 HydrophobicContact CD1-CG 4.18Å; I451-F458 HydrophobicContact CG2-CD2 3.94Å; I451-F458 HydrophobicContact CG2-CE2 3.56Å; I451-F458 HydrophobicContact CG2-CZ 4.25Å
452	P	47.3	Very low	58.3	Low	70 Å²	70	76.7 Å²	76.7	46%	0.455	44%	0.437	S	S	.	.			trans	-53	150.7	177.2	-21.7	29.8	0	0	0	110.1	Y354 T450 V454	Y354-P452 HydrophobicContact CD2-CG 3.93Å; Y354-P452 HydrophobicContact CE2-CG 3.93Å; T450-P452 WeakPolarHBondContact O-CD 3.32Å; P452-V454 VanDerWaalsContact C-N 3.3Å; P452-V454 PolarHBondContact O-N 3.16Å
453	P	41	Very low	58.3	Low	134 Å²	134	71.6 Å²	71.6	87%	0.87	42%	0.418	S	S	*	.	S	Bend	trans	-71.8	83.4	-149.5	32.5	-36.3	0	0	0	111.6
454	V	44.6	Very low	58.2	Low	53 Å²	53	69.4 Å²	69.4	32%	0.321	41%	0.412	S	S	.	.			trans	-97.9	112.4	154.3	-172.3	0	0	0	0	103.8	P452 K456 F458	P452-V454 VanDerWaalsContact C-N 3.3Å; P452-V454 PolarHBondContact O-N 3.16Å; V454-K456 PolarHBondContact O-N 3.48Å; V454-F458 HydrophobicContact CB-CE2 3.97Å; V454-F458 HydrophobicContact CB-CZ 4.14Å; V454-F458 HydrophobicContact CG1-CE2 4.47Å; V454-F458 HydrophobicContact CG1-CZ 4.45Å; V454-F458 HydrophobicContact CG2-CE2 4.4Å; V454-F458 HydrophobicContact CG2-CZ 4.19Å
455	S	41.9	Very low	58.2	Low	121 Å²	121	69 Å²	69	85%	0.846	41%	0.406	S	S	*	.	S	Bend	trans	-65.2	13.2	-167.8	66.7	0	0	0	0	115.7
456	K	54.2	Low	58.4	Low	99 Å²	99	70.6 Å²	70.6	43%	0.43	41%	0.414	S	S	.	.	S	Bend	trans	-134.6	143.8	-173.6	-67.3	-171.8	-171.8	169.2	0	111.3	Q430 V454	Q430-K456 HydrophobicContact CB-CD 4.38Å; Q430-K456 HydrophobicContact CG-CD 4.48Å; V454-K456 PolarHBondContact O-N 3.48Å
457	P	71.8	Confident	58.6	Low	120 Å²	120	78.4 Å²	78.4	78%	0.779	45%	0.447	S	S	*	.			trans	-62.9	143	-175.7	25.5	-33.4	0	0	0	111.8
458	F	76.6	Confident	58.8	Low	16 Å²	16	74.2 Å²	74.2	7%	0.07	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	147	172.4	-76.7	-96.7	0	0	0	110.1	Y347 N432 L434 I451 V454 I460	Y347-F458 AromaticContact CD2-CE1 3.62Å; Y347-F458 HydrophobicContact CD2-CE1 3.62Å; Y347-F458 HydrophobicContact CD2-CZ 4.07Å; Y347-F458 HydrophobicContact CE2-CE1 4.02Å; Y347-F458 HydrophobicContact CE2-CZ 4.03Å; N432-F458 HydrophobicContact CB-CD1 3.56Å; N432-F458 HydrophobicContact CB-CE1 3.51Å; N432-F458 HydrophobicContact CB-CG 4.23Å; N432-F458 HydrophobicContact CB-CZ 4.17Å; N432-F458 WeakPolarHBondContact O-CA 3.46Å; L434-F458 HydrophobicContact CB-CB 4.22Å; L434-F458 HydrophobicContact CB-CD1 4.16Å; L434-F458 HydrophobicContact CB-CG 4.43Å; I451-F458 HydrophobicContact CD1-CB 4.23Å; I451-F458 HydrophobicContact CD1-CD2 3.7Å; I451-F458 HydrophobicContact CD1-CE2 4.43Å; I451-F458 HydrophobicContact CD1-CG 4.18Å; I451-F458 HydrophobicContact CG2-CD2 3.94Å; I451-F458 HydrophobicContact CG2-CE2 3.56Å; I451-F458 HydrophobicContact CG2-CZ 4.25Å; V454-F458 HydrophobicContact CB-CE2 3.97Å; V454-F458 HydrophobicContact CB-CZ 4.14Å; V454-F458 HydrophobicContact CG1-CE2 4.47Å; V454-F458 HydrophobicContact CG1-CZ 4.45Å; V454-F458 HydrophobicContact CG2-CE2 4.4Å; V454-F458 HydrophobicContact CG2-CZ 4.19Å; F458-I460 HydrophobicContact CB-CG1 4.39Å
459	H	82.1	Confident	59.6	Low	41 Å²	41	70.5 Å²	70.5	19%	0.19	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	115.6	162.2	-66.2	-92.9	0	0	0	108.5	I410 A411 N432 F433 L434 H465	I410-H459 PolarHBondContact O-ND1 3.09Å; A411-H459 HydrophobicContact CB-CB 4.35Å; A411-H459 VanDerWaalsContact CB-CE1 3.43Å; A411-H459 WeakPolarHBondContact CB-CE1 3.3Å; A411-H459 WeakPolarHBondContact CB-ND1 3.32Å; N432-H459 PolarHBondContact O-N 2.75Å; F433-H459 WeakPolarHBondContact CA-O 3.46Å; F433-H459 HydrophobicContact CD1-CB 3.64Å; F433-H459 HydrophobicContact CE1-CB 3.83Å; L434-H459 PolarHBondContact N-O 3.3Å; H459-H465 AromaticContact ND1-CD2 3.86Å
460	I	82.2	Confident	60.3	Low	28 Å²	28	73 Å²	73	14%	0.144	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	141.6	-172.4	-52.5	179.4	0	0	0	110	L434 L436 L446 F458 G462 Y463 H465	L434-I460 HydrophobicContact CB-CG1 4.28Å; L434-I460 HydrophobicContact CD2-CD1 4.4Å; L434-I460 HydrophobicContact CD2-CG1 4.29Å; L434-I460 HydrophobicContact CD2-CG2 4.36Å; L434-I460 WeakPolarHBondContact O-CA 3.16Å; L436-I460 HydrophobicContact CD1-CG2 3.92Å; L436-I460 HydrophobicContact CD2-CG2 4.36Å; L436-I460 HydrophobicContact CG-CG2 4.05Å; L446-I460 HydrophobicContact CD2-CG2 4.41Å; F458-I460 HydrophobicContact CB-CG1 4.39Å; I460-G462 PolarHBondContact O-N 3.04Å; I460-Y463 HydrophobicContact CB-CD2 4.01Å; I460-Y463 HydrophobicContact CG2-CD2 3.93Å; I460-Y463 HydrophobicContact CG2-CE2 4.35Å; I460-Y463 PolarHBondContact O-N 3.27Å; I460-Y463 VanDerWaalsContact O-N 3.08Å; I460-H465 PolarHBondContact N-NE2 3.16Å
461	S	78.5	Confident	61.3	Low	0 Å²	0	73.6 Å²	73.6	0%	0	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	136.6	173.9	-58.5	0	0	0	0	113.3	I407 P408 L434 L435 L436 Y463	I407-S461 WeakPolarHBondContact O-CB 3.42Å; I407-S461 PolarHBondContact O-OG 2.98Å; P408-S461 WeakPolarHBondContact O-CA 3.43Å; L434-S461 PolarHBondContact O-N 3.16Å; L434-S461 PolarHBondContact O-OG 3.28Å; L435-S461 WeakPolarHBondContact CA-OG 3.26Å; L436-S461 PolarHBondContact N-OG 3.4Å; S461-Y463 VanDerWaalsContact O-CD2 3.3Å; S461-Y463 WeakPolarHBondContact O-CD2 3.47Å; S461-Y463 PolarHBondContact O-N 3.11Å
462	G	67.6	Low	61.8	Low	50 Å²	50	71.9 Å²	71.9	52%	0.515	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	-8.7	179.7	0	0	0	0	0	114.7	I460	I460-G462 PolarHBondContact O-N 3.04Å
463	Y	65	Low	62.4	Low	56 Å²	56	70.9 Å²	70.9	22%	0.22	38%	0.381	C	S	.	.			trans	-106.2	118.9	176.9	-66.3	-89.3	0	0	0	110.9	Y443 L446 I460 S461	Y443-Y463 HydrophobicContact CD1-CE2 4.16Å; Y443-Y463 HydrophobicContact CE1-CE2 4.32Å; L446-Y463 HydrophobicContact CD1-CE2 3.5Å; L446-Y463 VanDerWaalsContact CD1-CE2 3.5Å; L446-Y463 VanDerWaalsContact CD1-OH 3.22Å; L446-Y463 WeakPolarHBondContact CD1-OH 3.34Å; I460-Y463 HydrophobicContact CB-CD2 4.01Å; I460-Y463 HydrophobicContact CG2-CD2 3.93Å; I460-Y463 HydrophobicContact CG2-CE2 4.35Å; I460-Y463 PolarHBondContact O-N 3.27Å; I460-Y463 VanDerWaalsContact O-N 3.08Å; S461-Y463 VanDerWaalsContact O-CD2 3.3Å; S461-Y463 WeakPolarHBondContact O-CD2 3.47Å; S461-Y463 PolarHBondContact O-N 3.11Å
464	L	59	Low	63.4	Low	44 Å²	44	67.5 Å²	67.5	23%	0.23	36%	0.361	C	S	.	.			trans	-96	101.5	168.8	-80.9	148.4	0	0	0	108.4	I410 D466 C469 L470 Y473	I410-L464 HydrophobicContact CB-CD2 4.35Å; I410-L464 HydrophobicContact CG2-CD2 4.24Å; L464-D466 PolarHBondContact O-N 3.35Å; L464-C469 HydrophobicContact CD2-CB 3.95Å; L464-L470 HydrophobicContact CB-CD2 3.54Å; L464-L470 HydrophobicContact CB-CG 3.87Å; L464-L470 HydrophobicContact CD1-CD2 3.79Å; L464-L470 HydrophobicContact CG-CD2 4.24Å; L464-Y473 HydrophobicContact CD1-CD1 3.49Å; L464-Y473 VanDerWaalsContact CD1-CD1 3.49Å; L464-Y473 HydrophobicContact CD1-CD2 4.45Å; L464-Y473 HydrophobicContact CD1-CE1 3.89Å; L464-Y473 HydrophobicContact CD1-CG 3.79Å; L464-Y473 HydrophobicContact CD2-CD2 4.5Å; L464-Y473 HydrophobicContact CD2-CG 4.25Å
465	H	59.2	Low	64.1	Low	107 Å²	107	69.5 Å²	69.5	50%	0.495	37%	0.367	S	S	.	.			trans	-75.4	-3.8	-174	-60.6	-66.2	0	0	0	114.7	H459 I460	H459-H465 AromaticContact ND1-CD2 3.86Å; I460-H465 PolarHBondContact N-NE2 3.16Å
466	D	58.4	Low	64.8	Low	71 Å²	71	65.6 Å²	65.6	38%	0.38	34%	0.336	S	S	.	.			trans	-136.7	136.3	-169.8	176.7	-73.7	0	0	0	112.5	L464 L468 C469 L470	L464-D466 PolarHBondContact O-N 3.35Å; D466-L468 VanDerWaalsContact OD1-CA 3.26Å; D466-L468 WeakPolarHBondContact OD1-CA 3.47Å; D466-L468 WeakPolarHBondContact OD1-CB 3.44Å; D466-L468 PolarHBondContact OD1-N 3.21Å; D466-C469 HydrophobicContact CB-CB 3.9Å; D466-C469 CarbonylContact O-C 3.57Å; D466-C469 WeakPolarHBondContact O-CA 3.35Å; D466-C469 VanDerWaalsContact O-CB 3.24Å; D466-C469 WeakPolarHBondContact O-CB 3.36Å; D466-C469 PolarHBondContact O-N 3.19Å; D466-C469 PolarHBondContact OD1-N 2.99Å; D466-L470 WeakPolarHBondContact O-CG 3.05Å; D466-L470 PolarHBondContact O-N 2.9Å
467	K	60.1	Low	64.7	Low	183 Å²	183	62.5 Å²	62.5	80%	0.796	32%	0.323	S	S	*	.	H	α-helix	trans	-67.5	-36.4	-178.2	-74.9	-173.9	178.2	-177.7	0	113.8	C469 L470 K471	K467-C469 VanDerWaalsContact C-N 3.3Å; K467-L470 PolarHBondContact O-N 3.06Å; K467-K471 PolarHBondContact O-N 3.08Å
468	L	56.3	Low	63.9	Low	72 Å²	72	62.4 Å²	62.4	38%	0.377	32%	0.316	S	S	.	.	H	α-helix	trans	-64	-43.2	173	176.2	69.4	0	0	0	109.1	D466 K471 Q472	D466-L468 VanDerWaalsContact OD1-CA 3.26Å; D466-L468 WeakPolarHBondContact OD1-CA 3.47Å; D466-L468 WeakPolarHBondContact OD1-CB 3.44Å; D466-L468 PolarHBondContact OD1-N 3.21Å; L468-K471 PolarHBondContact O-N 2.91Å; L468-Q472 HydrophobicContact CD1-CG 4.37Å; L468-Q472 PolarHBondContact O-N 3.47Å
469	C	62.8	Low	62.6	Low	4 Å²	4	69.3 Å²	69.3	3%	0.027	35%	0.35	C	S	.	.	H	α-helix	trans	-59.3	-47.2	173.9	-130.7	0	0	0	0	111.8	C412 L464 D466 K467 K471 Q472 Y473	C412-C469 HydrophobicContact CB-CB 3.82Å; C412-C469 WeakPolarHBondContact CB-SG 3.11Å; C412-C469 WeakPolarHBondContact SG-CA 3.22Å; C412-C469 WeakPolarHBondContact SG-CB 3.43Å; C412-C469 CovalentContact SG-SG 2.05Å; C412-C469 PolarHBondContact SG-SG 2.74Å; L464-C469 HydrophobicContact CD2-CB 3.95Å; D466-C469 HydrophobicContact CB-CB 3.9Å; D466-C469 CarbonylContact O-C 3.57Å; D466-C469 WeakPolarHBondContact O-CA 3.35Å; D466-C469 VanDerWaalsContact O-CB 3.24Å; D466-C469 WeakPolarHBondContact O-CB 3.36Å; D466-C469 PolarHBondContact O-N 3.19Å; D466-C469 PolarHBondContact OD1-N 2.99Å; K467-C469 VanDerWaalsContact C-N 3.3Å; C469-K471 PolarHBondContact O-N 2.68Å; C469-Q472 PolarHBondContact O-N 2.89Å; C469-Y473 WeakPolarHBondContact O-CA 3.38Å; C469-Y473 WeakPolarHBondContact O-CB 3.05Å; C469-Y473 PolarHBondContact O-N 3.41Å
470	L	63.6	Low	60.4	Low	86 Å²	86	71.9 Å²	71.9	45%	0.45	37%	0.365	S	S	.	.	H	α-helix	trans	-58.2	-47.5	176.1	-76.8	165.9	0	0	0	112.3	L464 D466 K467 S474	L464-L470 HydrophobicContact CB-CD2 3.54Å; L464-L470 HydrophobicContact CB-CG 3.87Å; L464-L470 HydrophobicContact CD1-CD2 3.79Å; L464-L470 HydrophobicContact CG-CD2 4.24Å; D466-L470 WeakPolarHBondContact O-CG 3.05Å; D466-L470 PolarHBondContact O-N 2.9Å; K467-L470 PolarHBondContact O-N 3.06Å; L470-S474 WeakPolarHBondContact O-CB 3.26Å; L470-S474 PolarHBondContact O-N 2.84Å
471	K	65.5	Low	58	Low	138 Å²	138	76 Å²	76	60%	0.6	39%	0.393	S	S	*	.	H	α-helix	trans	-60.4	-48.9	179.7	-175.8	-175.3	173.7	-170.3	0	111.5	K467 L468 C469 S474 E475	K467-K471 PolarHBondContact O-N 3.08Å; L468-K471 PolarHBondContact O-N 2.91Å; C469-K471 PolarHBondContact O-N 2.68Å; K471-S474 WeakPolarHBondContact O-CB 2.87Å; K471-S474 PolarHBondContact O-N 3.2Å; K471-E475 PolarHBondContact O-N 3.41Å
472	Q	59.6	Low	55.8	Low	17 Å²	17	82.1 Å²	82.1	8%	0.079	42%	0.422	C	S	.	.	H	α-helix	trans	-77.5	-32.2	-176.7	-68.7	176.4	-33.9	0	0	112.5	I398 L468 C469 S474 E475 M476	I398-Q472 HydrophobicContact CD1-CB 4.24Å; L468-Q472 HydrophobicContact CD1-CG 4.37Å; L468-Q472 PolarHBondContact O-N 3.47Å; C469-Q472 PolarHBondContact O-N 2.89Å; Q472-S474 VanDerWaalsContact C-N 3.32Å; Q472-E475 WeakPolarHBondContact O-CB 2.77Å; Q472-E475 PolarHBondContact O-N 3.04Å; Q472-M476 PolarHBondContact O-N 3.06Å
473	Y	60.2	Low	54	Low	48 Å²	48	86 Å²	86	19%	0.188	44%	0.436	C	S	.	.	H	α-helix	trans	-62.2	-40.5	170.2	-174.1	-99.7	0	0	0	110.8	I410 L464 C469 E475 M476 M477	I410-Y473 HydrophobicContact CD1-CD2 3.52Å; I410-Y473 HydrophobicContact CD1-CE2 3.14Å; L464-Y473 HydrophobicContact CD1-CD1 3.49Å; L464-Y473 VanDerWaalsContact CD1-CD1 3.49Å; L464-Y473 HydrophobicContact CD1-CD2 4.45Å; L464-Y473 HydrophobicContact CD1-CE1 3.89Å; L464-Y473 HydrophobicContact CD1-CG 3.79Å; L464-Y473 HydrophobicContact CD2-CD2 4.5Å; L464-Y473 HydrophobicContact CD2-CG 4.25Å; C469-Y473 WeakPolarHBondContact O-CA 3.38Å; C469-Y473 WeakPolarHBondContact O-CB 3.05Å; C469-Y473 PolarHBondContact O-N 3.41Å; Y473-E475 VanDerWaalsContact C-N 3.3Å; Y473-E475 PolarHBondContact O-N 3.35Å; Y473-M476 HydrophobicContact CD2-CE 3.56Å; Y473-M476 HydrophobicContact CE2-CE 3.57Å; Y473-M476 CarbonylContact O-C 3.56Å; Y473-M476 PolarHBondContact O-N 3.14Å; Y473-M477 HydrophobicContact CD1-CG 3.63Å; Y473-M477 HydrophobicContact CE1-CE 3.95Å; Y473-M477 HydrophobicContact CE1-CG 3.33Å; Y473-M477 HydrophobicContact CE1-SD 3.71Å; Y473-M477 HydrophobicContact CE2-CG 4.32Å; Y473-M477 HydrophobicContact CE2-SD 4.37Å; Y473-M477 HydrophobicContact CG-CG 4.28Å; Y473-M477 VanDerWaalsContact CZ-SD 3.59Å; Y473-M477 WeakPolarHBondContact O-CB 3.07Å; Y473-M477 WeakPolarHBondContact O-CG 3.46Å; Y473-M477 PolarHBondContact O-N 3.46Å; Y473-M477 PolarHBondContact OH-SD 3.28Å
474	S	62.1	Low	52.4	Low	63 Å²	63	87.9 Å²	87.9	44%	0.441	45%	0.453	S	S	.	.	H	α-helix	trans	-59.5	-40.2	172	175.2	0	0	0	0	112.3	L470 K471 Q472 M477 N478	L470-S474 WeakPolarHBondContact O-CB 3.26Å; L470-S474 PolarHBondContact O-N 2.84Å; K471-S474 WeakPolarHBondContact O-CB 2.87Å; K471-S474 PolarHBondContact O-N 3.2Å; Q472-S474 VanDerWaalsContact C-N 3.32Å; S474-M477 PolarHBondContact O-N 3.44Å; S474-N478 PolarHBondContact O-N 3.41Å; S474-N478 PolarHBondContact O-ND2 2.04Å
475	E	60.4	Low	51.1	Low	95 Å²	95	92.2 Å²	92.2	44%	0.444	47%	0.467	S	S	.	.	H	α-helix	trans	-65.5	-39.5	175.5	-68.7	167.3	-177.1	0	0	111.5	K471 Q472 Y473 N478	K471-E475 PolarHBondContact O-N 3.41Å; Q472-E475 WeakPolarHBondContact O-CB 2.77Å; Q472-E475 PolarHBondContact O-N 3.04Å; Y473-E475 VanDerWaalsContact C-N 3.3Å; Y473-E475 PolarHBondContact O-N 3.35Å; E475-N478 PolarHBondContact O-N 2.78Å
476	M	54.7	Low	49.7	Very low	39 Å²	39	94.2 Å²	94.2	19%	0.192	48%	0.48	C	S	.	.	H	α-helix	trans	-69.6	-38.3	174.8	-169.6	-178	71.3	0	0	113.1	L373 Q472 Y473 N478 M479 I480	L373-M476 HydrophobicContact CD1-CB 4.44Å; Q472-M476 PolarHBondContact O-N 3.06Å; Y473-M476 HydrophobicContact CD2-CE 3.56Å; Y473-M476 HydrophobicContact CE2-CE 3.57Å; Y473-M476 CarbonylContact O-C 3.56Å; Y473-M476 PolarHBondContact O-N 3.14Å; M476-N478 PolarHBondContact O-N 3.1Å; M476-M479 CarbonylContact O-C 3.51Å; M476-M479 WeakPolarHBondContact O-CA 3.38Å; M476-M479 WeakPolarHBondContact O-CB 3.37Å; M476-M479 PolarHBondContact O-N 2.75Å; M476-I480 HydrophobicContact CG-CD1 4.08Å; M476-I480 PolarHBondContact O-N 2.74Å; M476-I480 VanDerWaalsContact O-N 3.08Å; M476-I480 HydrophobicContact SD-CD1 4.48Å
477	M	52.6	Low	48.4	Very low	34 Å²	34	96.7 Å²	96.7	17%	0.167	49%	0.493	C	S	.	.	H	α-helix	trans	-67	-23.4	176	-72.9	-72.2	-89.5	0	0	112.3	Y473 S474 M479	Y473-M477 HydrophobicContact CD1-CG 3.63Å; Y473-M477 HydrophobicContact CE1-CE 3.95Å; Y473-M477 HydrophobicContact CE1-CG 3.33Å; Y473-M477 HydrophobicContact CE1-SD 3.71Å; Y473-M477 HydrophobicContact CE2-CG 4.32Å; Y473-M477 HydrophobicContact CE2-SD 4.37Å; Y473-M477 HydrophobicContact CG-CG 4.28Å; Y473-M477 VanDerWaalsContact CZ-SD 3.59Å; Y473-M477 WeakPolarHBondContact O-CB 3.07Å; Y473-M477 WeakPolarHBondContact O-CG 3.46Å; Y473-M477 PolarHBondContact O-N 3.46Å; Y473-M477 PolarHBondContact OH-SD 3.28Å; S474-M477 PolarHBondContact O-N 3.44Å; M477-M479 PolarHBondContact O-N 3.46Å
478	N	55.7	Low	47.2	Very low	119 Å²	119	94.1 Å²	94.1	64%	0.636	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.7	168.5	-71.1	-25.5	0	0	0	112.6	S474 E475 M476	S474-N478 PolarHBondContact O-N 3.41Å; S474-N478 PolarHBondContact O-ND2 2.04Å; E475-N478 PolarHBondContact O-N 2.78Å; M476-N478 PolarHBondContact O-N 3.1Å
479	M	48.4	Very low	46.1	Very low	160 Å²	160	98 Å²	98	79%	0.788	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-20.1	176.1	-59.6	-173.4	-179.3	0	0	113.5	M476 M477	M476-M479 CarbonylContact O-C 3.51Å; M476-M479 WeakPolarHBondContact O-CA 3.38Å; M476-M479 WeakPolarHBondContact O-CB 3.37Å; M476-M479 PolarHBondContact O-N 2.75Å; M477-M479 PolarHBondContact O-N 3.46Å
480	I	36.6	Very low	44.6	Very low	95 Å²	95	101.6 Å²	101.6	49%	0.487	53%	0.53	S	S	.	.	S	Bend	trans	-115	124.4	179.6	-57	175.7	0	0	0	108.9	M476 Q482	M476-I480 HydrophobicContact CG-CD1 4.08Å; M476-I480 PolarHBondContact O-N 2.74Å; M476-I480 VanDerWaalsContact O-N 3.08Å; M476-I480 HydrophobicContact SD-CD1 4.48Å; I480-Q482 PolarHBondContact O-N 3Å; I480-Q482 VanDerWaalsContact O-N 3.08Å
481	P	31.6	Very low	43.3	Very low	115 Å²	115	104.4 Å²	104.4	75%	0.747	55%	0.545	S	S	*	.			trans	-52.7	115.7	-171.5	-26	32.9	0	0	0	114.3	T483	P481-T483 PolarHBondContact O-N 2.95Å
482	Q	32.8	Very low	41.8	Very low	129 Å²	129	105.2 Å²	105.2	60%	0.603	58%	0.577	S	S	*	*			trans	-65.8	92.8	176.5	-69.1	178.2	-18.3	0	0	111.4	I480	I480-Q482 PolarHBondContact O-N 3Å; I480-Q482 VanDerWaalsContact O-N 3.08Å
483	T	29.9	Very low	40.9	Very low	131 Å²	131	109.7 Å²	109.7	80%	0.804	60%	0.602	S	S	*	*			trans	-130.8	11.3	166.7	43.9	0	0	0	0	114.3	P481	P481-T483 PolarHBondContact O-N 2.95Å
484	T	30.9	Very low	39.9	Very low	96 Å²	96	112.9 Å²	112.9	59%	0.589	62%	0.624	S	S	*	*	S	Bend	trans	-138.7	148.9	168.8	38.5	0	0	0	0	108.8
485	W	31.2	Very low	38.7	Very low	134 Å²	134	115.7 Å²	115.7	51%	0.508	63%	0.634	S	S	.	*			trans	101.5	129.1	172	-45.4	108.1	0	0	0	117.3	I407	I407-W485 HydrophobicContact CB-CH2 4.12Å; I407-W485 HydrophobicContact CD1-CH2 3.63Å; I407-W485 HydrophobicContact CD1-CZ3 4.09Å; I407-W485 HydrophobicContact CG1-CH2 3.7Å; I407-W485 HydrophobicContact CG1-CZ2 4.42Å; I407-W485 HydrophobicContact CG2-CH2 3.31Å; I407-W485 HydrophobicContact CG2-CZ2 3.56Å; I407-W485 HydrophobicContact CG2-CZ3 4.12Å
486	I	30.1	Very low	37.4	Very low	150 Å²	150	116.9 Å²	116.9	77%	0.769	65%	0.645	S	S	*	*			trans	-108.7	138	-178.2	-64.3	172	0	0	0	107.2
487	D	30.7	Very low	36.3	Very low	123 Å²	123	121.8 Å²	121.8	66%	0.658	67%	0.673	S	S	*	*			trans	-85.8	138.1	-177.2	-152.9	-12	0	0	0	111.5	D489 S490	D487-D489 VanDerWaalsContact C-N 3.29Å; D487-D489 PolarHBondContact O-N 3.2Å; D487-S490 PolarHBondContact O-N 2.75Å; D487-S490 PolarHBondContact O-OG 2.81Å
488	E	35.2	Very low	35.2	Very low	129 Å²	129	127.6 Å²	127.6	60%	0.603	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-71.7	-17.8	-172.4	-104.4	-174	168.5	0	0	113.9	S490 L491	E488-S490 PolarHBondContact O-N 3.39Å; E488-L491 PolarHBondContact O-N 3.23Å
489	D	33.2	Very low	33.8	Very low	154 Å²	154	128.2 Å²	128.2	82%	0.824	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-69.7	-0.7	173.5	-78.7	-16.5	0	0	0	113	D487	D487-D489 VanDerWaalsContact C-N 3.29Å; D487-D489 PolarHBondContact O-N 3.2Å
490	S	32.1	Very low	32.6	Very low	78 Å²	78	125.8 Å²	125.8	55%	0.545	71%	0.706	S	S	.	*	G	3₁₀ helix	trans	-98	5.3	170.3	68.1	0	0	0	0	114.7	D487 E488	D487-S490 PolarHBondContact O-N 2.75Å; D487-S490 PolarHBondContact O-OG 2.81Å; E488-S490 PolarHBondContact O-N 3.39Å
491	L	36	Very low	32.3	Very low	146 Å²	146	128.3 Å²	128.3	76%	0.764	72%	0.724	S	S	*	*			trans	-116.7	11.6	179.9	-75.4	168.8	0	0	0	115	E488	E488-L491 PolarHBondContact O-N 3.23Å
492	A	34	Very low	32.4	Very low	155 Å²	155	129.5 Å²	129.5	100%	1.281	72%	0.722	S	S	*	*			trans	-97.4	0	157.7	0	0	0	0	0	109.6

Retrieved 492 of 492 residues in 111.5 ms (Link to these results)

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