A0A077YZT4_TRITR Loading...

Exo endo phos domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZT4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 262 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	31.7	Very low	58.2	Low	238 Å²	238	104 Å²	104	100%	1.172	56%	0.558	S	S	*	*				0	115.5	0	-129.7	173.4	-162.6	0	0	106.5	V3	M1-V3 PolarHBondContact O-N 3.19Å
2	Q	29.8	Very low	60.9	Low	183 Å²	183	103.8 Å²	103.8	86%	0.855	56%	0.557	S	S	*	*			trans	-73.6	109.7	177.9	-150	173.1	4.5	0	0	106.4	V4	Q2-V4 PolarHBondContact O-N 3.15Å
3	V	33.3	Very low	62.8	Low	59 Å²	59	96.1 Å²	96.1	36%	0.358	52%	0.516	S	S	.	.			trans	-67.8	101.4	173.8	177.9	0	0	0	0	106.2	M1 F5 G235 P237	M1-V3 PolarHBondContact O-N 3.19Å; V3-F5 HydrophobicContact CG1-CD2 4.31Å; V3-F5 HydrophobicContact CG1-CE2 4.18Å; V3-F5 PolarHBondContact O-N 3.11Å; V3-G235 WeakPolarHBondContact CG1-O 3.4Å; V3-P237 HydrophobicContact CG2-CB 4.06Å; V3-P237 HydrophobicContact CG2-CG 4.29Å
4	V	39.6	Very low	65	Low	113 Å²	113	98.1 Å²	98.1	69%	0.685	52%	0.52	S	S	*	.			trans	-78.5	99.8	172.5	-172.7	0	0	0	0	105.7	Q2 S6	Q2-V4 PolarHBondContact O-N 3.15Å; V4-S6 VanDerWaalsContact C-N 3.28Å; V4-S6 PolarHBondContact O-N 3.25Å
5	F	44.3	Very low	66.6	Low	156 Å²	156	92.3 Å²	92.3	68%	0.684	49%	0.489	S	S	*	.			trans	-63.4	98.9	161.3	-76.8	-83.2	0	0	0	106.7	V3 A7	V3-F5 HydrophobicContact CG1-CD2 4.31Å; V3-F5 HydrophobicContact CG1-CE2 4.18Å; V3-F5 PolarHBondContact O-N 3.11Å; F5-A7 VanDerWaalsContact C-N 3.31Å; F5-A7 PolarHBondContact O-N 3.17Å
6	S	61.2	Low	67.8	Low	57 Å²	57	97.6 Å²	97.6	40%	0.399	51%	0.507	S	S	.	.			trans	-76.4	91.4	167.6	-63.9	0	0	0	0	107	V4	V4-S6 VanDerWaalsContact C-N 3.28Å; V4-S6 PolarHBondContact O-N 3.25Å
7	A	73.4	Confident	68.4	Low	81 Å²	81	97.8 Å²	97.8	67%	0.669	51%	0.505	S	S	*	.			trans	-58.9	140	161.6	0	0	0	0	0	108.1	F5 P74	F5-A7 VanDerWaalsContact C-N 3.31Å; F5-A7 PolarHBondContact O-N 3.17Å; A7-P74 WeakPolarHBondContact O-CD 3.15Å
8	F	75.3	Confident	68.7	Low	73 Å²	73	92.4 Å²	92.4	32%	0.32	48%	0.477	S	S	.	.			trans	-131.6	147.9	174.5	63	-92.8	0	0	0	109.5	L10 P74 L251	F8-L10 HydrophobicContact CD2-CD2 3.74Å; F8-L10 HydrophobicContact CD2-CG 4.03Å; F8-L10 HydrophobicContact CE2-CD1 4.07Å; F8-L10 HydrophobicContact CE2-CD2 3.69Å; F8-L10 HydrophobicContact CE2-CG 3.83Å; F8-P74 CarbonylContact C-O 3.54Å; F8-P74 VanDerWaalsContact CA-O 3.23Å; F8-P74 WeakPolarHBondContact CA-O 3.48Å; F8-P74 HydrophobicContact CB-CB 3.77Å; F8-P74 HydrophobicContact CB-CG 4.48Å; F8-P74 WeakPolarHBondContact CB-O 3.3Å; F8-L251 HydrophobicContact CE2-CD2 4.45Å
9	D	82.6	Confident	68.6	Low	62 Å²	62	91.9 Å²	91.9	33%	0.332	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	140.7	-179.1	-75.9	-62.4	0	0	0	111.4	L69 P74 L75 V76	D9-L69 HydrophobicContact CB-CD1 3.83Å; D9-L69 WeakPolarHBondContact OD2-CD2 3.35Å; D9-P74 PolarHBondContact N-O 2.83Å; D9-L75 HydrophobicContact CB-CD1 3.89Å; D9-V76 PolarHBondContact O-N 3.01Å
10	L	85.4	Confident	68.4	Low	86 Å²	86	88.5 Å²	88.5	45%	0.45	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.7	177.7	-63.5	-171.7	0	0	0	109.1	F8 V76 F78 L251	F8-L10 HydrophobicContact CD2-CD2 3.74Å; F8-L10 HydrophobicContact CD2-CG 4.03Å; F8-L10 HydrophobicContact CE2-CD1 4.07Å; F8-L10 HydrophobicContact CE2-CD2 3.69Å; F8-L10 HydrophobicContact CE2-CG 3.83Å; L10-V76 WeakPolarHBondContact CA-O 3.36Å; L10-V76 HydrophobicContact CD2-CB 3.63Å; L10-V76 HydrophobicContact CD2-CG1 4.33Å; L10-V76 HydrophobicContact CD2-CG2 3.9Å; L10-F78 HydrophobicContact CB-CE1 4.07Å; L10-L251 HydrophobicContact CD1-CD2 4.17Å; L10-L251 HydrophobicContact CD2-CD2 3.52Å
11	V	83.8	Confident	68.3	Low	36 Å²	36	84.8 Å²	84.8	22%	0.218	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	113.6	-179.9	-176.6	0	0	0	0	110.1	V13 I65 L75 V76 I77 F78	V11-V13 HydrophobicContact CG1-CG2 4.06Å; V11-I65 HydrophobicContact CB-CD1 4.4Å; V11-I65 HydrophobicContact CG1-CD1 4.08Å; V11-I65 HydrophobicContact CG2-CD1 4.24Å; V11-L75 HydrophobicContact CB-CD1 4.44Å; V11-L75 HydrophobicContact CG2-CD1 3.67Å; V11-V76 PolarHBondContact N-O 3.41Å; V11-I77 HydrophobicContact CB-CG2 4.47Å; V11-I77 CarbonylContact O-C 3.4Å; V11-I77 VanDerWaalsContact O-CA 3.31Å; V11-I77 WeakPolarHBondContact O-CA 3.46Å; V11-F78 WeakPolarHBondContact O-CD1 3.47Å; V11-F78 PolarHBondContact O-N 2.94Å
12	N	90.7	Very high	69.6	Low	101 Å²	101	74.2 Å²	74.2	54%	0.54	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124	172.8	-173.6	26.3	0	0	0	110.3	F78 G79	N12-F78 CarbonylContact C-O 3.57Å; N12-F78 VanDerWaalsContact CA-O 3.25Å; N12-F78 WeakPolarHBondContact CA-O 3.37Å; N12-F78 HydrophobicContact CB-CD2 4.49Å; N12-F78 HydrophobicContact CB-CE1 4.23Å; N12-F78 HydrophobicContact CB-CE2 3.85Å; N12-F78 HydrophobicContact CB-CZ 3.71Å; N12-F78 PolarHBondContact OD1-O 3.18Å; N12-G79 WeakPolarHBondContact OD1-CA 3.49Å
13	V	86.1	Confident	71	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.024	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.9	-178.9	175.8	0	0	0	0	109.3	V11 L15 I61 I77 F78 G79 D80 F81	V11-V13 HydrophobicContact CG1-CG2 4.06Å; V13-L15 HydrophobicContact CG1-CD2 3.98Å; V13-L15 HydrophobicContact CG1-CG 3.97Å; V13-I61 HydrophobicContact CG1-CD1 3.69Å; V13-I61 HydrophobicContact CG2-CD1 4.28Å; V13-I61 HydrophobicContact CG2-CG2 3.98Å; V13-I77 HydrophobicContact CB-CG2 4.34Å; V13-I77 HydrophobicContact CG2-CG2 3.5Å; V13-I77 VanDerWaalsContact CG2-CG2 3.5Å; V13-F78 PolarHBondContact N-O 3.42Å; V13-G79 CarbonylContact O-C 3.46Å; V13-G79 VanDerWaalsContact O-CA 3.29Å; V13-G79 WeakPolarHBondContact O-CA 3.26Å; V13-D80 PolarHBondContact O-N 3.39Å; V13-F81 HydrophobicContact CB-CD1 4.5Å; V13-F81 HydrophobicContact CB-CE1 3.89Å; V13-F81 HydrophobicContact CB-CZ 4.11Å; V13-F81 HydrophobicContact CG1-CD1 4.05Å; V13-F81 HydrophobicContact CG1-CE1 3.84Å; V13-F81 HydrophobicContact CG2-CE1 4.42Å
14	H	92.8	Very high	72.2	Confident	124 Å²	124	63.8 Å²	63.8	57%	0.574	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	110.8	171.4	-158.4	-64	0	0	0	109.4	D80	H14-D80 CarbonylContact C-O 3.38Å; H14-D80 VanDerWaalsContact CA-O 3.28Å; H14-D80 WeakPolarHBondContact CA-O 3.23Å; H14-D80 IonicContact CE1-OD2 3.42Å; H14-D80 PolarHBondContact CE1-OD2 2.99Å; H14-D80 IonicContact NE2-OD2 3.97Å; H14-D80 PolarHBondContact NE2-OD2 2.92Å
15	L	89.8	Confident	72.9	Confident	11 Å²	11	58.5 Å²	58.5	6%	0.058	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-95.7	147.5	175.5	-57	179.6	0	0	0	109.4	V13 R54 L58 I61 D80 F81 N82	V13-L15 HydrophobicContact CG1-CD2 3.98Å; V13-L15 HydrophobicContact CG1-CG 3.97Å; L15-R54 HydrophobicContact CB-CG 4Å; L15-R54 HydrophobicContact CD1-CB 4.07Å; L15-R54 HydrophobicContact CD1-CG 4.41Å; L15-L58 HydrophobicContact CD1-CB 4.11Å; L15-I61 HydrophobicContact CD2-CD1 4.06Å; L15-D80 PolarHBondContact N-O 3.41Å; L15-F81 HydrophobicContact CD1-CB 4.36Å; L15-F81 HydrophobicContact CD1-CD1 4.29Å; L15-N82 PolarHBondContact O-ND2 3.05Å
16	F	85.5	Confident	73.3	Confident	178 Å²	178	55.5 Å²	55.5	78%	0.781	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-70.5	144.5	-178.2	-76.1	-80.4	0	0	0	112.8	R54	F16-R54 WeakPolarHBondContact O-CD 3.46Å; F16-R54 PolarHBondContact O-NH1 3.05Å
17	H	78.2	Confident	72.7	Confident	100 Å²	100	54.3 Å²	54.3	46%	0.463	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-81.2	164.9	176.1	63.7	-100.3	0	0	0	112.4	N82	H17-N82 VanDerWaalsContact CB-OD1 3.28Å; H17-N82 WeakPolarHBondContact CB-OD1 3.45Å
18	D	73.5	Confident	71.3	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.011	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-75.4	132.8	173.8	-49.9	-36.1	0	0	0	110.3	C20 A24 F50 R54 R184	D18-C20 PolarHBondContact O-N 2.94Å; D18-C20 VanDerWaalsContact O-N 3.12Å; D18-A24 HydrophobicContact CB-CB 4.21Å; D18-A24 VanDerWaalsContact OD2-CB 3.3Å; D18-A24 WeakPolarHBondContact OD2-CB 3.43Å; D18-F50 HydrophobicContact CB-CG 4.47Å; D18-F50 WeakPolarHBondContact OD1-CB 3.41Å; D18-F50 WeakPolarHBondContact OD1-CG 3.4Å; D18-R54 IonicContact OD1-CZ 3.89Å; D18-R54 IonicContact OD1-NH1 2.78Å; D18-R54 PolarHBondContact OD1-NH1 2.91Å; D18-R54 IonicContact OD1-NH2 2.66Å; D18-R54 PolarHBondContact OD1-NH2 3.29Å; D18-R54 IonicContact OD2-NH1 3.81Å; D18-R54 IonicContact OD2-NH2 4Å; D18-R54 PolarHBondContact OD2-NH2 3.17Å; D18-R184 PolarHBondContact O-NH1 2.94Å; D18-R184 VanDerWaalsContact O-NH1 3.13Å; D18-R184 PolarHBondContact O-NH2 2.75Å
19	S	67.2	Low	69.6	Low	82 Å²	82	54.3 Å²	54.3	57%	0.573	29%	0.285	S	S	*	.	S	Bend	trans	-55.1	-32.7	180	58.3	0	0	0	0	113.2
20	C	64.9	Low	67.4	Low	24 Å²	24	56.6 Å²	56.6	16%	0.162	30%	0.297	C	S	.	.			trans	-156.2	165.2	166.8	70.2	0	0	0	0	111.7	D18 I22 A23 A24 R132	D18-C20 PolarHBondContact O-N 2.94Å; D18-C20 VanDerWaalsContact O-N 3.12Å; C20-I22 PolarHBondContact O-N 2.8Å; C20-A23 WeakPolarHBondContact O-CB 3.32Å; C20-A23 PolarHBondContact O-N 2.63Å; C20-A23 VanDerWaalsContact O-N 3.15Å; C20-A23 PolarHBondContact SG-N 3.05Å; C20-A24 PolarHBondContact O-N 3.03Å; C20-A24 VanDerWaalsContact O-N 3.11Å; C20-R132 HydrophobicContact CB-CG 4.23Å
21	N	64.7	Low	65.1	Low	11 Å²	11	62.1 Å²	62.1	6%	0.059	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.9	177.9	-64	-31.6	0	0	0	112.7	A24 V25 R132 P134 T183 R184	N21-A24 WeakPolarHBondContact O-CA 3.28Å; N21-A24 VanDerWaalsContact O-CB 3.27Å; N21-A24 WeakPolarHBondContact O-CB 3.43Å; N21-A24 PolarHBondContact O-N 3.14Å; N21-A24 VanDerWaalsContact O-N 3.17Å; N21-V25 WeakPolarHBondContact O-CG2 3.49Å; N21-V25 PolarHBondContact O-N 3.19Å; N21-R132 PolarHBondContact ND2-O 3.04Å; N21-P134 WeakPolarHBondContact ND2-CD 2.79Å; N21-T183 PolarHBondContact ND2-O 2.85Å; N21-R184 WeakPolarHBondContact OD1-CD 3.37Å; N21-R184 WeakPolarHBondContact OD1-CG 3.23Å; N21-R184 PolarHBondContact OD1-NH1 3.15Å
22	I	60	Low	62.9	Low	15 Å²	15	64.8 Å²	64.8	8%	0.077	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-38.2	177	-57.8	177.3	0	0	0	110.6	C20 A24 V25 E26 P113 V115	C20-I22 PolarHBondContact O-N 2.8Å; I22-A24 PolarHBondContact O-N 3.03Å; I22-V25 CarbonylContact O-C 3.45Å; I22-V25 WeakPolarHBondContact O-CA 3.46Å; I22-V25 PolarHBondContact O-N 2.87Å; I22-E26 PolarHBondContact O-N 2.88Å; I22-P113 WeakPolarHBondContact CD1-O 3.19Å; I22-P113 HydrophobicContact CG2-CB 4.38Å; I22-P113 HydrophobicContact CG2-CG 4.08Å; I22-V115 HydrophobicContact CG2-CG2 4.26Å
23	A	59.5	Low	60.2	Low	14 Å²	14	67.7 Å²	67.7	12%	0.116	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-67.7	-26.9	173.3	0	0	0	0	0	111.7	C20 V25 E26 F50	C20-A23 WeakPolarHBondContact O-CB 3.32Å; C20-A23 PolarHBondContact O-N 2.63Å; C20-A23 VanDerWaalsContact O-N 3.15Å; C20-A23 PolarHBondContact SG-N 3.05Å; A23-V25 PolarHBondContact O-N 3.13Å; A23-E26 VanDerWaalsContact O-CB 3.3Å; A23-E26 WeakPolarHBondContact O-CB 3.48Å; A23-E26 PolarHBondContact O-N 3.39Å; A23-F50 HydrophobicContact CB-CD2 4.32Å; A23-F50 HydrophobicContact CB-CE2 3.68Å; A23-F50 HydrophobicContact CB-CZ 4.45Å
24	A	57	Low	57.7	Low	9 Å²	9	76.4 Å²	76.4	7%	0.074	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-68.8	-9.5	168.7	0	0	0	0	0	113.3	D18 C20 N21 I22 S48	D18-A24 HydrophobicContact CB-CB 4.21Å; D18-A24 VanDerWaalsContact OD2-CB 3.3Å; D18-A24 WeakPolarHBondContact OD2-CB 3.43Å; C20-A24 PolarHBondContact O-N 3.03Å; C20-A24 VanDerWaalsContact O-N 3.11Å; N21-A24 WeakPolarHBondContact O-CA 3.28Å; N21-A24 VanDerWaalsContact O-CB 3.27Å; N21-A24 WeakPolarHBondContact O-CB 3.43Å; N21-A24 PolarHBondContact O-N 3.14Å; N21-A24 VanDerWaalsContact O-N 3.17Å; I22-A24 PolarHBondContact O-N 3.03Å; A24-S48 WeakPolarHBondContact O-CB 3.36Å
25	V	54.7	Low	54.7	Low	3 Å²	3	76 Å²	76	2%	0.018	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-119.2	18.4	173.4	-138	0	0	0	0	112.1	N21 I22 A23 L44 T87 K88 L130	N21-V25 WeakPolarHBondContact O-CG2 3.49Å; N21-V25 PolarHBondContact O-N 3.19Å; I22-V25 CarbonylContact O-C 3.45Å; I22-V25 WeakPolarHBondContact O-CA 3.46Å; I22-V25 PolarHBondContact O-N 2.87Å; A23-V25 PolarHBondContact O-N 3.13Å; V25-L44 HydrophobicContact CB-CD2 3.8Å; V25-L44 HydrophobicContact CG1-CB 3.82Å; V25-L44 HydrophobicContact CG1-CD1 3.91Å; V25-L44 HydrophobicContact CG1-CD2 3.44Å; V25-L44 VanDerWaalsContact CG1-CD2 3.44Å; V25-L44 HydrophobicContact CG1-CG 3.88Å; V25-L44 WeakPolarHBondContact O-CD2 3.47Å; V25-T87 HydrophobicContact CG2-CG2 3.71Å; V25-K88 HydrophobicContact CG1-CB 3.79Å; V25-L130 HydrophobicContact CG2-CD2 3.79Å
26	E	53.2	Low	52	Low	93 Å²	93	84.9 Å²	84.9	44%	0.435	43%	0.429	S	S	.	.			trans	-45	140.5	-164.6	-171.3	172.6	-156.9	0	0	114.3	I22 A23 Q45 V49	I22-E26 PolarHBondContact O-N 2.88Å; A23-E26 VanDerWaalsContact O-CB 3.3Å; A23-E26 WeakPolarHBondContact O-CB 3.48Å; A23-E26 PolarHBondContact O-N 3.39Å; E26-Q45 PolarHBondContact O-N 3.42Å; E26-Q45 VanDerWaalsContact O-N 3.15Å; E26-V49 WeakPolarHBondContact OE2-CG1 3.4Å
27	M	48.6	Very low	49.4	Very low	32 Å²	32	83.7 Å²	83.7	16%	0.158	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	105.6	-161.4	-59.7	-158.1	-78.2	0	0	109.6	N29 L42 Y43 L44 V105	M27-N29 PolarHBondContact O-N 3.5Å; M27-L42 HydrophobicContact CB-CB 3.99Å; M27-L42 HydrophobicContact CB-CD2 3.48Å; M27-L42 VanDerWaalsContact CB-CD2 3.48Å; M27-L42 HydrophobicContact CB-CG 4.32Å; M27-L42 HydrophobicContact CE-CB 4.25Å; M27-L42 HydrophobicContact CE-CD1 4.05Å; M27-L42 HydrophobicContact CE-CD2 4.26Å; M27-L42 HydrophobicContact CE-CG 4.42Å; M27-L42 HydrophobicContact CG-CB 4.35Å; M27-L42 HydrophobicContact CG-CD2 4.47Å; M27-L42 HydrophobicContact SD-CB 3.61Å; M27-L42 HydrophobicContact SD-CD1 4.5Å; M27-L42 HydrophobicContact SD-CD2 4.41Å; M27-L42 HydrophobicContact SD-CG 4.38Å; M27-Y43 WeakPolarHBondContact CA-O 3.48Å; M27-L44 HydrophobicContact CG-CD2 4.13Å; M27-L44 HydrophobicContact SD-CD2 4.15Å; M27-V105 HydrophobicContact CE-CB 3.95Å; M27-V105 HydrophobicContact CE-CG1 3.37Å; M27-V105 HydrophobicContact CE-CG2 3.33Å; M27-V105 HydrophobicContact SD-CG2 3.33Å; M27-V105 WeakPolarHBondContact SD-CG2 3.25Å
28	V	43.3	Very low	47.5	Very low	46 Å²	46	86.5 Å²	86.5	28%	0.279	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.7	179.1	-178.2	0	0	0	0	108.8	N30 Y43 Q45	V28-N30 HydrophobicContact CG1-CB 4.42Å; V28-N30 VanDerWaalsContact CG1-CG 3.49Å; V28-N30 WeakPolarHBondContact CG1-ND2 2.81Å; V28-N30 WeakPolarHBondContact CG1-OD1 3.44Å; V28-N30 PolarHBondContact O-N 2.94Å; V28-Y43 PolarHBondContact N-O 2.8Å; V28-Q45 HydrophobicContact CB-CB 4.47Å; V28-Q45 HydrophobicContact CG2-CB 3.94Å
29	N	39.8	Very low	45.8	Very low	108 Å²	108	89.4 Å²	89.4	58%	0.578	48%	0.478	S	S	*	.			trans	-66.3	71.3	164	-70.9	-38.9	0	0	0	108.9	M27 F31 L42	M27-N29 PolarHBondContact O-N 3.5Å; N29-F31 PolarHBondContact O-N 3.14Å; N29-L42 WeakPolarHBondContact OD1-CD2 3.39Å
30	N	36.2	Very low	44.5	Very low	109 Å²	109	91.2 Å²	91.2	58%	0.583	48%	0.481	S	S	*	.			trans	-78	103.5	168.3	-80.3	-36.8	0	0	0	107.5	V28 S32	V28-N30 HydrophobicContact CG1-CB 4.42Å; V28-N30 VanDerWaalsContact CG1-CG 3.49Å; V28-N30 WeakPolarHBondContact CG1-ND2 2.81Å; V28-N30 WeakPolarHBondContact CG1-OD1 3.44Å; V28-N30 PolarHBondContact O-N 2.94Å; N30-S32 PolarHBondContact O-N 3.17Å
31	F	37.7	Very low	43.2	Very low	203 Å²	203	94.9 Å²	94.9	89%	0.89	50%	0.499	S	S	*	.			trans	-63.7	17.7	175.4	-110.5	-90.6	0	0	0	114.6	N29	N29-F31 PolarHBondContact O-N 3.14Å
32	S	37.8	Very low	42.1	Very low	92 Å²	92	96 Å²	96	64%	0.643	50%	0.504	S	S	*	.	S	Bend	trans	-134.2	57.1	-164.2	-50.7	0	0	0	0	111.4	N30	N30-S32 PolarHBondContact O-N 3.17Å
33	Q	34.5	Very low	41.3	Very low	161 Å²	161	100.6 Å²	100.6	75%	0.752	52%	0.521	S	S	*	.			trans	173.1	97.9	146.9	-95	160.8	87.7	0	0	108.7	L35	Q33-L35 VanDerWaalsContact C-N 3.34Å; Q33-L35 PolarHBondContact O-N 3.11Å
34	Q	32.4	Very low	40.8	Very low	187 Å²	187	100.8 Å²	100.8	87%	0.874	52%	0.52	S	S	*	.			trans	-64.5	88.9	170.5	-75.1	171.2	-35.5	0	0	109.8
35	L	30.5	Very low	40.8	Very low	117 Å²	117	103.6 Å²	103.6	61%	0.613	53%	0.532	S	S	*	.			trans	-109.8	101.2	158.1	-86.6	162.8	0	0	0	107.9	Q33 F37	Q33-L35 VanDerWaalsContact C-N 3.34Å; Q33-L35 PolarHBondContact O-N 3.11Å; L35-F37 PolarHBondContact O-N 3.47Å
36	F	32.8	Very low	41.2	Very low	197 Å²	197	105.2 Å²	105.2	86%	0.864	54%	0.544	S	S	*	.			trans	-25.4	87.2	171	-78.4	-105.6	0	0	0	114.9
37	F	32.1	Very low	42	Very low	153 Å²	153	104 Å²	104	67%	0.671	54%	0.543	S	S	*	.			trans	-127	116.2	156.3	-78.2	-86.6	0	0	0	108.2	L35 G39	L35-F37 PolarHBondContact O-N 3.47Å; F37-G39 PolarHBondContact O-N 3.37Å
38	V	37.6	Very low	43	Very low	158 Å²	158	102.7 Å²	102.7	96%	0.958	54%	0.538	S	S	*	.	S	Bend	trans	-67.1	120.2	-172.8	-170.7	0	0	0	0	109.2
39	G	38.3	Very low	44.5	Very low	64 Å²	64	103.4 Å²	103.4	66%	0.66	54%	0.542	S	S	*	.	S	Bend	trans	143.4	-47.5	157.3	0	0	0	0	0	117.2	F37	F37-G39 PolarHBondContact O-N 3.37Å
40	L	39.9	Very low	46.4	Very low	120 Å²	120	100.5 Å²	100.5	63%	0.628	52%	0.524	S	S	*	.			trans	-172.3	109.4	178.6	-102.3	132.6	0	0	0	106.6	L42	L40-L42 HydrophobicContact CB-CD1 4Å; L40-L42 HydrophobicContact CD2-CD1 3.39Å; L40-L42 HydrophobicContact CD2-CG 4.37Å; L40-L42 HydrophobicContact CG-CD1 4.29Å; L40-L42 PolarHBondContact O-N 3.46Å
41	N	37.4	Very low	48.4	Very low	101 Å²	101	96.7 Å²	96.7	54%	0.54	51%	0.508	S	S	.	.			trans	-70.4	67.4	-178.1	-76.5	-60.9	0	0	0	111.8
42	L	41.2	Very low	50.3	Low	33 Å²	33	90.9 Å²	90.9	17%	0.173	48%	0.482	C	S	.	.			trans	-116.1	89.6	-177.2	-75.5	158.9	0	0	0	108.8	M27 N29 L40 V105	M27-L42 HydrophobicContact CB-CB 3.99Å; M27-L42 HydrophobicContact CB-CD2 3.48Å; M27-L42 VanDerWaalsContact CB-CD2 3.48Å; M27-L42 HydrophobicContact CB-CG 4.32Å; M27-L42 HydrophobicContact CE-CB 4.25Å; M27-L42 HydrophobicContact CE-CD1 4.05Å; M27-L42 HydrophobicContact CE-CD2 4.26Å; M27-L42 HydrophobicContact CE-CG 4.42Å; M27-L42 HydrophobicContact CG-CB 4.35Å; M27-L42 HydrophobicContact CG-CD2 4.47Å; M27-L42 HydrophobicContact SD-CB 3.61Å; M27-L42 HydrophobicContact SD-CD1 4.5Å; M27-L42 HydrophobicContact SD-CD2 4.41Å; M27-L42 HydrophobicContact SD-CG 4.38Å; N29-L42 WeakPolarHBondContact OD1-CD2 3.39Å; L40-L42 HydrophobicContact CB-CD1 4Å; L40-L42 HydrophobicContact CD2-CD1 3.39Å; L40-L42 HydrophobicContact CD2-CG 4.37Å; L40-L42 HydrophobicContact CG-CD1 4.29Å; L40-L42 PolarHBondContact O-N 3.46Å; L42-V105 HydrophobicContact CB-CG2 4.05Å; L42-V105 HydrophobicContact CD1-CB 3.94Å; L42-V105 HydrophobicContact CD1-CG1 4.08Å; L42-V105 HydrophobicContact CD1-CG2 3.93Å
43	Y	42.1	Very low	52.6	Low	113 Å²	113	91.9 Å²	91.9	44%	0.443	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	132.1	174.4	-68.8	-88.6	0	0	0	109.8	M27 V28 Q45	M27-Y43 WeakPolarHBondContact CA-O 3.48Å; V28-Y43 PolarHBondContact N-O 2.8Å; Y43-Q45 PolarHBondContact O-N 3.28Å
44	L	50.4	Low	55	Low	18 Å²	18	85 Å²	85	9%	0.094	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	116.3	171.6	-64.3	175.6	0	0	0	109.9	V25 M27 K88 Y117	V25-L44 HydrophobicContact CB-CD2 3.8Å; V25-L44 HydrophobicContact CG1-CB 3.82Å; V25-L44 HydrophobicContact CG1-CD1 3.91Å; V25-L44 HydrophobicContact CG1-CD2 3.44Å; V25-L44 VanDerWaalsContact CG1-CD2 3.44Å; V25-L44 HydrophobicContact CG1-CG 3.88Å; V25-L44 WeakPolarHBondContact O-CD2 3.47Å; M27-L44 HydrophobicContact CG-CD2 4.13Å; M27-L44 HydrophobicContact SD-CD2 4.15Å; L44-K88 HydrophobicContact CB-CD 3.7Å; L44-K88 HydrophobicContact CB-CG 4Å; L44-K88 HydrophobicContact CD1-CG 3.98Å; L44-Y117 HydrophobicContact CD1-CE1 4.49Å; L44-Y117 WeakPolarHBondContact CD1-OH 3.22Å
45	Q	57	Low	57.4	Low	67 Å²	67	80.1 Å²	80.1	31%	0.313	42%	0.421	S	S	.	.			trans	-92.6	114	169.7	-172.4	168.8	0	0	0	109.8	E26 V28 Y43	E26-Q45 PolarHBondContact O-N 3.42Å; E26-Q45 VanDerWaalsContact O-N 3.15Å; V28-Q45 HydrophobicContact CB-CB 4.47Å; V28-Q45 HydrophobicContact CG2-CB 3.94Å; Y43-Q45 PolarHBondContact O-N 3.28Å
46	S	62.4	Low	60	Low	38 Å²	38	78.5 Å²	78.5	27%	0.266	42%	0.418	S	S	.	.	S	Bend	trans	-110.4	137.3	162.2	179.7	0	0	0	0	109.3	D86	S46-D86 WeakPolarHBondContact CB-OD1 3.36Å; S46-D86 PolarHBondContact OG-OD1 2.91Å; S46-D86 PolarHBondContact OG-OD2 3.43Å
47	P	69.7	Low	62.6	Low	66 Å²	66	70.3 Å²	70.3	43%	0.429	39%	0.39	S	S	.	.	S	Bend	cis	-70.8	151.8	-6.2	29.7	-34.4	0	0	0	112.2	A51 K52	P47-A51 HydrophobicContact CB-CB 3.88Å; P47-K52 HydrophobicContact CG-CG 4.26Å
48	S	69.9	Low	65.1	Low	6 Å²	6	64 Å²	64	4%	0.042	36%	0.363	C	S	.	.			trans	-62.8	164.9	176.5	66.6	0	0	0	0	112.9	A24 F50 A51 K52	A24-S48 WeakPolarHBondContact O-CB 3.36Å; S48-F50 PolarHBondContact O-N 3.47Å; S48-A51 PolarHBondContact O-N 2.97Å; S48-A51 WeakPolarHBondContact OG-CB 3.37Å; S48-A51 PolarHBondContact OG-N 3.04Å; S48-K52 WeakPolarHBondContact O-CG 3.32Å; S48-K52 PolarHBondContact O-N 3.2Å
49	V	75.3	Confident	67.4	Low	61 Å²	61	61.3 Å²	61.3	37%	0.37	34%	0.339	S	S	.	.	H	α-helix	trans	-57.5	-38.1	172.1	68.7	0	0	0	0	111.7	E26 K52 Q53	E26-V49 WeakPolarHBondContact OE2-CG1 3.4Å; V49-K52 WeakPolarHBondContact O-CB 3.43Å; V49-K52 PolarHBondContact O-N 2.94Å; V49-Q53 VanDerWaalsContact O-CG 3.3Å; V49-Q53 WeakPolarHBondContact O-CG 3.3Å; V49-Q53 PolarHBondContact O-N 2.82Å
50	F	78.3	Confident	69.7	Low	47 Å²	47	64.3 Å²	64.3	21%	0.206	33%	0.334	C	S	.	.	H	α-helix	trans	-69	-39.5	178.4	-61.8	-81.4	0	0	0	112.5	D18 A23 S48 K52 Q53 R54	D18-F50 HydrophobicContact CB-CG 4.47Å; D18-F50 WeakPolarHBondContact OD1-CB 3.41Å; D18-F50 WeakPolarHBondContact OD1-CG 3.4Å; A23-F50 HydrophobicContact CB-CD2 4.32Å; A23-F50 HydrophobicContact CB-CE2 3.68Å; A23-F50 HydrophobicContact CB-CZ 4.45Å; S48-F50 PolarHBondContact O-N 3.47Å; F50-K52 VanDerWaalsContact C-N 3.3Å; F50-K52 PolarHBondContact O-N 2.88Å; F50-Q53 PolarHBondContact O-N 2.73Å; F50-R54 WeakPolarHBondContact O-CG 3.41Å; F50-R54 PolarHBondContact O-N 3.21Å
51	A	78.9	Confident	71.9	Confident	29 Å²	29	60.8 Å²	60.8	24%	0.24	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-41.6	173.1	0	0	0	0	0	111	P47 S48 R54 E55	P47-A51 HydrophobicContact CB-CB 3.88Å; S48-A51 PolarHBondContact O-N 2.97Å; S48-A51 WeakPolarHBondContact OG-CB 3.37Å; S48-A51 PolarHBondContact OG-N 3.04Å; A51-R54 PolarHBondContact O-N 3.1Å; A51-E55 WeakPolarHBondContact O-CB 3.32Å; A51-E55 PolarHBondContact O-N 2.85Å
52	K	78.7	Confident	74.2	Confident	80 Å²	80	57.7 Å²	57.7	35%	0.348	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-40.2	173.2	-67.8	174.4	-176.6	173.4	0	112.5	P47 S48 V49 F50 E55 C56	P47-K52 HydrophobicContact CG-CG 4.26Å; S48-K52 WeakPolarHBondContact O-CG 3.32Å; S48-K52 PolarHBondContact O-N 3.2Å; V49-K52 WeakPolarHBondContact O-CB 3.43Å; V49-K52 PolarHBondContact O-N 2.94Å; F50-K52 VanDerWaalsContact C-N 3.3Å; F50-K52 PolarHBondContact O-N 2.88Å; K52-E55 WeakPolarHBondContact O-CB 3.35Å; K52-E55 PolarHBondContact O-N 2.86Å; K52-C56 PolarHBondContact O-N 3.43Å; K52-C56 PolarHBondContact O-SG 3.28Å; K52-C56 VanDerWaalsContact O-SG 3.35Å
53	Q	85.1	Confident	76.2	Confident	114 Å²	114	60.2 Å²	60.2	53%	0.533	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-42.2	175.4	-75	171.6	-4.9	0	0	111.8	V49 F50 E55 C56 G57	V49-Q53 VanDerWaalsContact O-CG 3.3Å; V49-Q53 WeakPolarHBondContact O-CG 3.3Å; V49-Q53 PolarHBondContact O-N 2.82Å; F50-Q53 PolarHBondContact O-N 2.73Å; Q53-E55 VanDerWaalsContact C-N 3.34Å; Q53-C56 PolarHBondContact O-N 3.04Å; Q53-G57 PolarHBondContact O-N 2.92Å
54	R	85.5	Confident	78.3	Confident	17 Å²	17	58.2 Å²	58.2	6%	0.064	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-43.2	172.9	-74.1	-167.1	-76.3	-78.8	1.1	111.6	L15 F16 D18 F50 A51 G57 L58 F81 N82	L15-R54 HydrophobicContact CB-CG 4Å; L15-R54 HydrophobicContact CD1-CB 4.07Å; L15-R54 HydrophobicContact CD1-CG 4.41Å; F16-R54 WeakPolarHBondContact O-CD 3.46Å; F16-R54 PolarHBondContact O-NH1 3.05Å; D18-R54 IonicContact OD1-CZ 3.89Å; D18-R54 IonicContact OD1-NH1 2.78Å; D18-R54 PolarHBondContact OD1-NH1 2.91Å; D18-R54 IonicContact OD1-NH2 2.66Å; D18-R54 PolarHBondContact OD1-NH2 3.29Å; D18-R54 IonicContact OD2-NH1 3.81Å; D18-R54 IonicContact OD2-NH2 4Å; D18-R54 PolarHBondContact OD2-NH2 3.17Å; F50-R54 WeakPolarHBondContact O-CG 3.41Å; F50-R54 PolarHBondContact O-N 3.21Å; A51-R54 PolarHBondContact O-N 3.1Å; R54-G57 PolarHBondContact O-N 3.33Å; R54-L58 WeakPolarHBondContact O-CB 3.3Å; R54-L58 PolarHBondContact O-N 3.25Å; R54-F81 WeakPolarHBondContact CD-O 3.24Å; R54-N82 WeakPolarHBondContact CD-O 3.36Å; R54-N82 PolarHBondContact NE-O 3.39Å
55	E	83	Confident	79.9	Confident	84 Å²	84	58.1 Å²	58.1	39%	0.393	31%	0.306	S	S	.	.	H	α-helix	trans	-59.5	-48.3	175.2	-173.8	-171	-178.4	0	0	111.4	A51 K52 Q53 L58 K59	A51-E55 WeakPolarHBondContact O-CB 3.32Å; A51-E55 PolarHBondContact O-N 2.85Å; K52-E55 WeakPolarHBondContact O-CB 3.35Å; K52-E55 PolarHBondContact O-N 2.86Å; Q53-E55 VanDerWaalsContact C-N 3.34Å; E55-L58 PolarHBondContact O-N 3.17Å; E55-K59 VanDerWaalsContact CG-NZ 3.27Å; E55-K59 WeakPolarHBondContact O-CG 3.39Å; E55-K59 PolarHBondContact O-N 3.23Å; E55-K59 IonicContact OE1-NZ 3.39Å; E55-K59 PolarHBondContact OE1-NZ 3.4Å
56	C	84.9	Confident	81.1	Confident	82 Å²	82	60.4 Å²	60.4	55%	0.554	32%	0.32	S	S	*	.	H	α-helix	trans	-61.5	-44	175.9	-71.6	0	0	0	0	112.3	K52 Q53 K59 F60	K52-C56 PolarHBondContact O-N 3.43Å; K52-C56 PolarHBondContact O-SG 3.28Å; K52-C56 VanDerWaalsContact O-SG 3.35Å; Q53-C56 PolarHBondContact O-N 3.04Å; C56-K59 PolarHBondContact O-N 2.93Å; C56-F60 WeakPolarHBondContact O-CB 3Å; C56-F60 PolarHBondContact O-N 3.34Å
57	G	86.5	Confident	82.1	Confident	26 Å²	26	66 Å²	66	27%	0.268	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-45.4	177.5	0	0	0	0	0	112	Q53 R54 F60 I61	Q53-G57 PolarHBondContact O-N 2.92Å; R54-G57 PolarHBondContact O-N 3.33Å; G57-F60 PolarHBondContact O-N 3.29Å; G57-I61 VanDerWaalsContact O-CG1 3.29Å; G57-I61 WeakPolarHBondContact O-CG1 3.04Å; G57-I61 PolarHBondContact O-N 3.04Å
58	L	85.9	Confident	82.9	Confident	21 Å²	21	67.5 Å²	67.5	11%	0.11	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-45.7	176	-176.4	58.7	0	0	0	111.7	L15 R54 E55 F60 I61 L62 F81 F83	L15-L58 HydrophobicContact CD1-CB 4.11Å; R54-L58 WeakPolarHBondContact O-CB 3.3Å; R54-L58 PolarHBondContact O-N 3.25Å; E55-L58 PolarHBondContact O-N 3.17Å; L58-F60 VanDerWaalsContact C-N 3.33Å; L58-F60 PolarHBondContact O-N 3.34Å; L58-I61 PolarHBondContact O-N 2.92Å; L58-L62 HydrophobicContact CD1-CD1 4.42Å; L58-L62 HydrophobicContact CD1-CG 4.32Å; L58-L62 HydrophobicContact CG-CD1 4.12Å; L58-L62 HydrophobicContact CG-CG 4.45Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.45Å; L58-L62 PolarHBondContact O-N 3.48Å; L58-F81 HydrophobicContact CD1-CD1 4.11Å; L58-F81 HydrophobicContact CD1-CE1 3.92Å; L58-F83 HydrophobicContact CD2-CE1 4.14Å; L58-F83 HydrophobicContact CD2-CZ 3.85Å
59	K	85.2	Confident	83.3	Confident	101 Å²	101	69.2 Å²	69.2	44%	0.439	36%	0.36	S	S	.	.	H	α-helix	trans	-57.3	-46.6	175.7	-75.9	-164.4	-178.2	88.4	0	111.7	E55 C56 I61 L62 D63	E55-K59 VanDerWaalsContact CG-NZ 3.27Å; E55-K59 WeakPolarHBondContact O-CG 3.39Å; E55-K59 PolarHBondContact O-N 3.23Å; E55-K59 IonicContact OE1-NZ 3.39Å; E55-K59 PolarHBondContact OE1-NZ 3.4Å; C56-K59 PolarHBondContact O-N 2.93Å; K59-I61 VanDerWaalsContact C-N 3.34Å; K59-I61 PolarHBondContact O-N 3.39Å; K59-L62 PolarHBondContact O-N 3.18Å; K59-D63 VanDerWaalsContact O-CG 3.31Å; K59-D63 PolarHBondContact O-N 3.33Å
60	F	87.2	Confident	83.7	Confident	127 Å²	127	70.8 Å²	70.8	56%	0.557	37%	0.371	S	S	*	.	H	α-helix	trans	-57.8	-46.8	177.2	175.5	-93.5	0	0	0	111.7	C56 G57 L58 L62 D63 Q64	C56-F60 WeakPolarHBondContact O-CB 3Å; C56-F60 PolarHBondContact O-N 3.34Å; G57-F60 PolarHBondContact O-N 3.29Å; L58-F60 VanDerWaalsContact C-N 3.33Å; L58-F60 PolarHBondContact O-N 3.34Å; F60-L62 PolarHBondContact O-N 3.41Å; F60-D63 PolarHBondContact O-N 3.11Å; F60-Q64 HydrophobicContact CD1-CG 4.18Å; F60-Q64 HydrophobicContact CE1-CG 3.71Å; F60-Q64 HydrophobicContact CE2-CG 4.25Å; F60-Q64 VanDerWaalsContact CE2-NE2 3.31Å; F60-Q64 HydrophobicContact CZ-CG 3.75Å; F60-Q64 WeakPolarHBondContact O-CG 3.49Å; F60-Q64 PolarHBondContact O-N 3.3Å
61	I	85.3	Confident	83.7	Confident	45 Å²	45	74.3 Å²	74.3	23%	0.231	40%	0.396	C	S	.	.	H	α-helix	trans	-58.7	-48.4	177.5	-69	166.9	0	0	0	110.6	V13 L15 G57 L58 K59 D63 Q64 I65	V13-I61 HydrophobicContact CG1-CD1 3.69Å; V13-I61 HydrophobicContact CG2-CD1 4.28Å; V13-I61 HydrophobicContact CG2-CG2 3.98Å; L15-I61 HydrophobicContact CD2-CD1 4.06Å; G57-I61 VanDerWaalsContact O-CG1 3.29Å; G57-I61 WeakPolarHBondContact O-CG1 3.04Å; G57-I61 PolarHBondContact O-N 3.04Å; L58-I61 PolarHBondContact O-N 2.92Å; K59-I61 VanDerWaalsContact C-N 3.34Å; K59-I61 PolarHBondContact O-N 3.39Å; I61-D63 VanDerWaalsContact C-N 3.31Å; I61-D63 PolarHBondContact O-N 3.24Å; I61-Q64 PolarHBondContact O-N 2.95Å; I61-I65 HydrophobicContact CG2-CD1 3.79Å; I61-I65 HydrophobicContact CG2-CG1 4.39Å; I61-I65 VanDerWaalsContact O-CG1 3.3Å; I61-I65 WeakPolarHBondContact O-CG1 3.43Å; I61-I65 PolarHBondContact O-N 3.16Å
62	L	84.8	Confident	83.7	Confident	36 Å²	36	79.1 Å²	79.1	19%	0.188	41%	0.414	C	S	.	.	H	α-helix	trans	-61.2	-39.9	178.9	-66.5	174.2	0	0	0	111.9	L58 K59 F60 I65 N66 I77	L58-L62 HydrophobicContact CD1-CD1 4.42Å; L58-L62 HydrophobicContact CD1-CG 4.32Å; L58-L62 HydrophobicContact CG-CD1 4.12Å; L58-L62 HydrophobicContact CG-CG 4.45Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.45Å; L58-L62 PolarHBondContact O-N 3.48Å; K59-L62 PolarHBondContact O-N 3.18Å; F60-L62 PolarHBondContact O-N 3.41Å; L62-I65 PolarHBondContact O-N 2.95Å; L62-N66 WeakPolarHBondContact O-CB 3.31Å; L62-N66 VanDerWaalsContact O-CG 3.23Å; L62-N66 PolarHBondContact O-N 2.89Å; L62-N66 PolarHBondContact O-ND2 2.9Å; L62-I77 HydrophobicContact CD2-CD1 3.59Å
63	D	84.3	Confident	83.7	Confident	87 Å²	87	76.1 Å²	76.1	47%	0.465	40%	0.403	S	S	.	.	H	α-helix	trans	-65.6	-37.2	175.9	-70.9	-19.3	0	0	0	112.5	K59 F60 I61 K67	K59-D63 VanDerWaalsContact O-CG 3.31Å; K59-D63 PolarHBondContact O-N 3.33Å; F60-D63 PolarHBondContact O-N 3.11Å; I61-D63 VanDerWaalsContact C-N 3.31Å; I61-D63 PolarHBondContact O-N 3.24Å; D63-K67 WeakPolarHBondContact O-CD 3.45Å; D63-K67 VanDerWaalsContact O-CG 3.28Å; D63-K67 WeakPolarHBondContact O-CG 3.18Å; D63-K67 PolarHBondContact O-N 3.24Å
64	Q	87	Confident	83.4	Confident	70 Å²	70	71.3 Å²	71.3	33%	0.327	38%	0.382	S	S	.	.	H	α-helix	trans	-68.5	-44.1	174.6	-64.5	-49.4	-44.8	0	0	111.5	F60 I61 N66 K67 C68	F60-Q64 HydrophobicContact CD1-CG 4.18Å; F60-Q64 HydrophobicContact CE1-CG 3.71Å; F60-Q64 HydrophobicContact CE2-CG 4.25Å; F60-Q64 VanDerWaalsContact CE2-NE2 3.31Å; F60-Q64 HydrophobicContact CZ-CG 3.75Å; F60-Q64 WeakPolarHBondContact O-CG 3.49Å; F60-Q64 PolarHBondContact O-N 3.3Å; I61-Q64 PolarHBondContact O-N 2.95Å; Q64-N66 VanDerWaalsContact C-N 3.33Å; Q64-N66 PolarHBondContact O-N 2.84Å; Q64-K67 PolarHBondContact O-N 3.24Å; Q64-K67 VanDerWaalsContact O-N 3.13Å; Q64-C68 WeakPolarHBondContact O-CB 3.31Å; Q64-C68 PolarHBondContact O-N 2.81Å; Q64-C68 PolarHBondContact O-SG 2.88Å; Q64-C68 VanDerWaalsContact O-SG 3.39Å
65	I	83	Confident	83.1	Confident	17 Å²	17	71.2 Å²	71.2	9%	0.087	38%	0.383	C	S	.	.	H	α-helix	trans	-55.4	-49.9	175.3	-72.7	172	0	0	0	110.2	V11 I61 L62 K67 C68 L69 L75 I77	V11-I65 HydrophobicContact CB-CD1 4.4Å; V11-I65 HydrophobicContact CG1-CD1 4.08Å; V11-I65 HydrophobicContact CG2-CD1 4.24Å; I61-I65 HydrophobicContact CG2-CD1 3.79Å; I61-I65 HydrophobicContact CG2-CG1 4.39Å; I61-I65 VanDerWaalsContact O-CG1 3.3Å; I61-I65 WeakPolarHBondContact O-CG1 3.43Å; I61-I65 PolarHBondContact O-N 3.16Å; L62-I65 PolarHBondContact O-N 2.95Å; I65-K67 PolarHBondContact O-N 2.97Å; I65-C68 PolarHBondContact O-N 3.27Å; I65-C68 VanDerWaalsContact O-N 3.14Å; I65-L69 HydrophobicContact CG2-CD1 3.88Å; I65-L69 HydrophobicContact CG2-CG 4.36Å; I65-L69 WeakPolarHBondContact O-CB 3.25Å; I65-L69 PolarHBondContact O-N 3.28Å; I65-L75 HydrophobicContact CD1-CD2 4.47Å; I65-L75 HydrophobicContact CG2-CD2 3.41Å; I65-L75 VanDerWaalsContact CG2-CD2 3.41Å; I65-I77 HydrophobicContact CD1-CD1 3.79Å; I65-I77 HydrophobicContact CD1-CG1 4.31Å
66	N	81.4	Confident	83	Confident	114 Å²	114	67.5 Å²	67.5	61%	0.61	37%	0.366	S	S	*	.	H	α-helix	trans	-63.5	-23.1	-179.2	-72.7	-24.8	0	0	0	113.8	L62 Q64	L62-N66 WeakPolarHBondContact O-CB 3.31Å; L62-N66 VanDerWaalsContact O-CG 3.23Å; L62-N66 PolarHBondContact O-N 2.89Å; L62-N66 PolarHBondContact O-ND2 2.9Å; Q64-N66 VanDerWaalsContact C-N 3.33Å; Q64-N66 PolarHBondContact O-N 2.84Å
67	K	84.9	Confident	82.9	Confident	155 Å²	155	64.3 Å²	64.3	67%	0.674	34%	0.343	S	S	*	.	H	α-helix	trans	-84.5	-32.8	175.3	-72.4	168.8	-174.1	171.2	0	112.8	D63 Q64 I65	D63-K67 WeakPolarHBondContact O-CD 3.45Å; D63-K67 VanDerWaalsContact O-CG 3.28Å; D63-K67 WeakPolarHBondContact O-CG 3.18Å; D63-K67 PolarHBondContact O-N 3.24Å; Q64-K67 PolarHBondContact O-N 3.24Å; Q64-K67 VanDerWaalsContact O-N 3.13Å; I65-K67 PolarHBondContact O-N 2.97Å
68	C	85.3	Confident	82.9	Confident	99 Å²	99	64.8 Å²	64.8	67%	0.669	34%	0.338	S	S	*	.	H	α-helix	trans	-93.5	-30.4	-172.8	-67.6	0	0	0	0	113.2	Q64 I65	Q64-C68 WeakPolarHBondContact O-CB 3.31Å; Q64-C68 PolarHBondContact O-N 2.81Å; Q64-C68 PolarHBondContact O-SG 2.88Å; Q64-C68 VanDerWaalsContact O-SG 3.39Å; I65-C68 PolarHBondContact O-N 3.27Å; I65-C68 VanDerWaalsContact O-N 3.14Å
69	L	79.8	Confident	82.9	Confident	42 Å²	42	64 Å²	64	22%	0.22	34%	0.335	C	S	.	.	S	Bend	trans	-103.4	142.3	-175.2	-58.1	-171.7	0	0	0	111.6	D9 I65 L75	D9-L69 HydrophobicContact CB-CD1 3.83Å; D9-L69 WeakPolarHBondContact OD2-CD2 3.35Å; I65-L69 HydrophobicContact CG2-CD1 3.88Å; I65-L69 HydrophobicContact CG2-CG 4.36Å; I65-L69 WeakPolarHBondContact O-CB 3.25Å; I65-L69 PolarHBondContact O-N 3.28Å; L69-L75 HydrophobicContact CD1-CD1 3.78Å; L69-L75 HydrophobicContact CD1-CD2 4.44Å
70	P	82.5	Confident	83.1	Confident	94 Å²	94	59.6 Å²	59.6	61%	0.61	32%	0.317	S	S	*	.			trans	-57.2	139.6	169.3	-20.1	30.9	0	0	0	110.9	E72 A73	P70-E72 PolarHBondContact O-N 2.7Å; P70-E72 VanDerWaalsContact O-N 3.14Å; P70-A73 HydrophobicContact CB-CB 4.17Å; P70-A73 HydrophobicContact CG-CB 4.34Å; P70-A73 WeakPolarHBondContact O-CB 3.29Å; P70-A73 PolarHBondContact O-N 2.85Å
71	V	78.3	Confident	83	Confident	121 Å²	121	53.6 Å²	53.6	73%	0.733	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-36.5	-179.1	175	0	0	0	0	112.3	A73	V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 3.29Å
72	E	78.1	Confident	83	Confident	130 Å²	130	51.5 Å²	51.5	61%	0.607	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-2	-177.9	-54	-65.5	131.5	0	0	113.6	P70 P74 H197	P70-E72 PolarHBondContact O-N 2.7Å; P70-E72 VanDerWaalsContact O-N 3.14Å; E72-P74 WeakPolarHBondContact O-CD 3.4Å; E72-H197 VanDerWaalsContact O-CG 3.25Å; E72-H197 PolarHBondContact O-ND1 2.87Å; E72-H197 IonicContact OE2-CE1 2.64Å; E72-H197 PolarHBondContact OE2-CE1 3.26Å; E72-H197 IonicContact OE2-ND1 3.58Å; E72-H197 IonicContact OE2-NE2 2.77Å
73	A	79.7	Confident	82.7	Confident	16 Å²	16	51.5 Å²	51.5	13%	0.132	28%	0.278	C	S	.	.	S	Bend	trans	-71	128.1	-178.3	0	0	0	0	0	110.4	P70 V71 L75 N195	P70-A73 HydrophobicContact CB-CB 4.17Å; P70-A73 HydrophobicContact CG-CB 4.34Å; P70-A73 WeakPolarHBondContact O-CB 3.29Å; P70-A73 PolarHBondContact O-N 2.85Å; V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 3.29Å; A73-L75 PolarHBondContact O-N 2.88Å; A73-N195 PolarHBondContact O-ND2 2.74Å
74	P	79.7	Confident	82.3	Confident	14 Å²	14	49.6 Å²	49.6	9%	0.091	26%	0.264	C	S	.	.			trans	-58.7	124.1	169	-18.4	28.1	0	0	0	111.4	A7 F8 D9 E72 H197 A198 L201	A7-P74 WeakPolarHBondContact O-CD 3.15Å; F8-P74 CarbonylContact C-O 3.54Å; F8-P74 VanDerWaalsContact CA-O 3.23Å; F8-P74 WeakPolarHBondContact CA-O 3.48Å; F8-P74 HydrophobicContact CB-CB 3.77Å; F8-P74 HydrophobicContact CB-CG 4.48Å; F8-P74 WeakPolarHBondContact CB-O 3.3Å; D9-P74 PolarHBondContact N-O 2.83Å; E72-P74 WeakPolarHBondContact O-CD 3.4Å; P74-H197 HydrophobicContact CB-CB 4.14Å; P74-H197 HydrophobicContact CG-CB 4.09Å; P74-A198 HydrophobicContact CB-CB 4.15Å; P74-L201 HydrophobicContact CB-CD1 3.7Å; P74-L201 HydrophobicContact CG-CD1 3.47Å; P74-L201 VanDerWaalsContact CG-CD1 3.47Å
75	L	79.3	Confident	81.4	Confident	15 Å²	15	47.2 Å²	47.2	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132	-176.5	173.9	66.5	0	0	0	111	D9 V11 I65 L69 A73 I77 N195 A198	D9-L75 HydrophobicContact CB-CD1 3.89Å; V11-L75 HydrophobicContact CB-CD1 4.44Å; V11-L75 HydrophobicContact CG2-CD1 3.67Å; I65-L75 HydrophobicContact CD1-CD2 4.47Å; I65-L75 HydrophobicContact CG2-CD2 3.41Å; I65-L75 VanDerWaalsContact CG2-CD2 3.41Å; L69-L75 HydrophobicContact CD1-CD1 3.78Å; L69-L75 HydrophobicContact CD1-CD2 4.44Å; A73-L75 PolarHBondContact O-N 2.88Å; L75-I77 HydrophobicContact CD1-CG1 4.22Å; L75-I77 HydrophobicContact CD2-CD1 3.94Å; L75-I77 HydrophobicContact CD2-CG1 3.87Å; L75-I77 HydrophobicContact CG-CG1 3.89Å; L75-N195 HydrophobicContact CB-CB 4.3Å; L75-N195 PolarHBondContact N-OD1 2.87Å; L75-N195 PolarHBondContact O-N 2.71Å; L75-N195 PolarHBondContact O-OD1 2.83Å; L75-A198 VanDerWaalsContact O-CB 3.32Å; L75-A198 WeakPolarHBondContact O-CB 3.38Å
76	V	80.6	Confident	80.8	Confident	6 Å²	6	49.9 Å²	49.9	4%	0.036	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.6	168.8	-172.3	0	0	0	0	109.1	D9 L10 V11 V192 F193 L194 A198 L251	D9-V76 PolarHBondContact O-N 3.01Å; L10-V76 WeakPolarHBondContact CA-O 3.36Å; L10-V76 HydrophobicContact CD2-CB 3.63Å; L10-V76 HydrophobicContact CD2-CG1 4.33Å; L10-V76 HydrophobicContact CD2-CG2 3.9Å; V11-V76 PolarHBondContact N-O 3.41Å; V76-V192 HydrophobicContact CG1-CG1 3.57Å; V76-F193 CarbonylContact C-O 3.58Å; V76-F193 WeakPolarHBondContact CA-O 3.31Å; V76-L194 HydrophobicContact CG1-CD1 4.44Å; V76-L194 HydrophobicContact CG2-CG 4.36Å; V76-A198 HydrophobicContact CG2-CB 4.17Å; V76-L251 HydrophobicContact CG1-CD1 4.13Å; V76-L251 HydrophobicContact CG2-CD1 4.09Å
77	I	82.2	Confident	80.1	Confident	15 Å²	15	45.3 Å²	45.3	8%	0.077	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.8	173.4	-47.6	179.2	0	0	0	107.9	V11 V13 L62 I65 L75 F81 V192 F193	V11-I77 HydrophobicContact CB-CG2 4.47Å; V11-I77 CarbonylContact O-C 3.4Å; V11-I77 VanDerWaalsContact O-CA 3.31Å; V11-I77 WeakPolarHBondContact O-CA 3.46Å; V13-I77 HydrophobicContact CB-CG2 4.34Å; V13-I77 HydrophobicContact CG2-CG2 3.5Å; V13-I77 VanDerWaalsContact CG2-CG2 3.5Å; L62-I77 HydrophobicContact CD2-CD1 3.59Å; I65-I77 HydrophobicContact CD1-CD1 3.79Å; I65-I77 HydrophobicContact CD1-CG1 4.31Å; L75-I77 HydrophobicContact CD1-CG1 4.22Å; L75-I77 HydrophobicContact CD2-CD1 3.94Å; L75-I77 HydrophobicContact CD2-CG1 3.87Å; L75-I77 HydrophobicContact CG-CG1 3.89Å; I77-F81 HydrophobicContact CG2-CE1 4.28Å; I77-F81 HydrophobicContact CG2-CZ 3.93Å; I77-V192 CarbonylContact O-C 3.44Å; I77-V192 WeakPolarHBondContact O-CA 3.27Å; I77-F193 HydrophobicContact CB-CB 4.37Å; I77-F193 PolarHBondContact N-O 3.23Å; I77-F193 PolarHBondContact O-N 3.35Å
78	F	85.5	Confident	79.3	Confident	36 Å²	36	40.4 Å²	40.4	16%	0.158	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	166.8	-178.6	65.3	-79.6	0	0	0	111.4	L10 V11 N12 V13 R191 V192 K253	L10-F78 HydrophobicContact CB-CE1 4.07Å; V11-F78 WeakPolarHBondContact O-CD1 3.47Å; V11-F78 PolarHBondContact O-N 2.94Å; N12-F78 CarbonylContact C-O 3.57Å; N12-F78 VanDerWaalsContact CA-O 3.25Å; N12-F78 WeakPolarHBondContact CA-O 3.37Å; N12-F78 HydrophobicContact CB-CD2 4.49Å; N12-F78 HydrophobicContact CB-CE1 4.23Å; N12-F78 HydrophobicContact CB-CE2 3.85Å; N12-F78 HydrophobicContact CB-CZ 3.71Å; N12-F78 PolarHBondContact OD1-O 3.18Å; V13-F78 PolarHBondContact N-O 3.42Å; F78-R191 CarbonylContact C-O 3.49Å; F78-R191 WeakPolarHBondContact CA-O 3.29Å; F78-V192 HydrophobicContact CB-CB 4.32Å; F78-V192 HydrophobicContact CB-CG1 4.2Å; F78-V192 HydrophobicContact CB-CG2 4Å; F78-K253 HydrophobicContact CE2-CG 4.46Å
79	G	87.3	Confident	78.5	Confident	5 Å²	5	38 Å²	38	5%	0.052	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133.5	-162.8	172.3	0	0	0	0	0	113	N12 V13 F81 D190 R191	N12-G79 WeakPolarHBondContact OD1-CA 3.49Å; V13-G79 CarbonylContact O-C 3.46Å; V13-G79 VanDerWaalsContact O-CA 3.29Å; V13-G79 WeakPolarHBondContact O-CA 3.26Å; G79-F81 VanDerWaalsContact O-CD2 3.27Å; G79-F81 WeakPolarHBondContact O-CD2 3.44Å; G79-F81 WeakPolarHBondContact O-CE2 3.22Å; G79-D190 VanDerWaalsContact O-CA 3.31Å; G79-D190 WeakPolarHBondContact O-CA 3.42Å; G79-R191 PolarHBondContact N-O 3.38Å; G79-R191 PolarHBondContact O-N 2.95Å
80	D	89.9	Confident	77.9	Confident	8 Å²	8	36.4 Å²	36.4	4%	0.043	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	99.4	179.6	178.2	12.3	0	0	0	110.2	V13 H14 L15 N82 C189 H223	V13-D80 PolarHBondContact O-N 3.39Å; H14-D80 CarbonylContact C-O 3.38Å; H14-D80 VanDerWaalsContact CA-O 3.28Å; H14-D80 WeakPolarHBondContact CA-O 3.23Å; H14-D80 IonicContact CE1-OD2 3.42Å; H14-D80 PolarHBondContact CE1-OD2 2.99Å; H14-D80 IonicContact NE2-OD2 3.97Å; H14-D80 PolarHBondContact NE2-OD2 2.92Å; L15-D80 PolarHBondContact N-O 3.41Å; D80-N82 VanDerWaalsContact C-N 3.26Å; D80-N82 WeakPolarHBondContact OD1-CA 3.28Å; D80-N82 PolarHBondContact OD1-N 2.71Å; D80-N82 PolarHBondContact OD1-ND2 2.75Å; D80-N82 PolarHBondContact OD2-ND2 3.42Å; D80-C189 WeakPolarHBondContact OD1-CB 3.39Å; D80-H223 IonicContact OD1-CE1 3.65Å; D80-H223 IonicContact OD2-CE1 2.59Å; D80-H223 PolarHBondContact OD2-CE1 2.86Å
81	F	84.9	Confident	77	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.			trans	-83.5	-7.1	178.7	-63.3	-95.1	0	0	0	112.4	V13 L15 R54 L58 I77 G79 F83 C189 R191 F193	V13-F81 HydrophobicContact CB-CD1 4.5Å; V13-F81 HydrophobicContact CB-CE1 3.89Å; V13-F81 HydrophobicContact CB-CZ 4.11Å; V13-F81 HydrophobicContact CG1-CD1 4.05Å; V13-F81 HydrophobicContact CG1-CE1 3.84Å; V13-F81 HydrophobicContact CG2-CE1 4.42Å; L15-F81 HydrophobicContact CD1-CB 4.36Å; L15-F81 HydrophobicContact CD1-CD1 4.29Å; R54-F81 WeakPolarHBondContact CD-O 3.24Å; L58-F81 HydrophobicContact CD1-CD1 4.11Å; L58-F81 HydrophobicContact CD1-CE1 3.92Å; I77-F81 HydrophobicContact CG2-CE1 4.28Å; I77-F81 HydrophobicContact CG2-CZ 3.93Å; G79-F81 VanDerWaalsContact O-CD2 3.27Å; G79-F81 WeakPolarHBondContact O-CD2 3.44Å; G79-F81 WeakPolarHBondContact O-CE2 3.22Å; F81-F83 HydrophobicContact CB-CD1 3.92Å; F81-F83 HydrophobicContact CB-CD2 3.42Å; F81-F83 VanDerWaalsContact CB-CD2 3.42Å; F81-F83 HydrophobicContact CB-CE1 3.72Å; F81-F83 HydrophobicContact CB-CE2 3.22Å; F81-F83 HydrophobicContact CB-CG 3.81Å; F81-F83 HydrophobicContact CB-CZ 3.4Å; F81-F83 HydrophobicContact CD1-CE1 4.45Å; F81-F83 AromaticContact CD1-CE2 3.88Å; F81-F83 HydrophobicContact CD1-CE2 3.88Å; F81-F83 AromaticContact CD1-CZ 3.65Å; F81-F83 HydrophobicContact CD1-CZ 3.65Å; F81-F83 HydrophobicContact CD2-CE2 4.11Å; F81-F83 HydrophobicContact CG-CD2 4.1Å; F81-F83 HydrophobicContact CG-CE1 4.43Å; F81-F83 AromaticContact CG-CE2 3.47Å; F81-F83 HydrophobicContact CG-CE2 3.47Å; F81-F83 VanDerWaalsContact CG-CE2 3.47Å; F81-F83 AromaticContact CG-CZ 3.68Å; F81-F83 HydrophobicContact CG-CZ 3.68Å; F81-F83 PolarHBondContact O-N 2.99Å; F81-F83 VanDerWaalsContact O-N 3.11Å; F81-C189 PolarHBondContact N-O 3.31Å; F81-R191 HydrophobicContact CD2-CB 3.78Å; F81-R191 HydrophobicContact CD2-CG 4.48Å; F81-R191 HydrophobicContact CE2-CB 3.84Å; F81-F193 HydrophobicContact CD1-CE2 4.2Å; F81-F193 HydrophobicContact CD2-CE2 4.03Å; F81-F193 HydrophobicContact CE1-CD2 4.05Å; F81-F193 AromaticContact CE1-CE2 3.8Å; F81-F193 HydrophobicContact CE1-CE2 3.8Å; F81-F193 AromaticContact CE2-CD2 3.94Å; F81-F193 HydrophobicContact CE2-CD2 3.94Å; F81-F193 AromaticContact CE2-CE2 3.63Å; F81-F193 HydrophobicContact CE2-CE2 3.63Å; F81-F193 HydrophobicContact CG-CE2 4.31Å; F81-F193 AromaticContact CZ-CD2 3.53Å; F81-F193 HydrophobicContact CZ-CD2 3.53Å; F81-F193 AromaticContact CZ-CE2 3.5Å; F81-F193 HydrophobicContact CZ-CE2 3.5Å
82	N	85.3	Confident	76.4	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.158	C	C	.	.			trans	51.5	34.6	-176.2	-88.9	-72.1	0	0	0	113	L15 H17 R54 D80 R84	L15-N82 PolarHBondContact O-ND2 3.05Å; H17-N82 VanDerWaalsContact CB-OD1 3.28Å; H17-N82 WeakPolarHBondContact CB-OD1 3.45Å; R54-N82 WeakPolarHBondContact CD-O 3.36Å; R54-N82 PolarHBondContact NE-O 3.39Å; D80-N82 VanDerWaalsContact C-N 3.26Å; D80-N82 WeakPolarHBondContact OD1-CA 3.28Å; D80-N82 PolarHBondContact OD1-N 2.71Å; D80-N82 PolarHBondContact OD1-ND2 2.75Å; D80-N82 PolarHBondContact OD2-ND2 3.42Å; N82-R84 WeakPolarHBondContact O-CG 3.43Å; N82-R84 PolarHBondContact O-N 3.36Å; N82-R84 PolarHBondContact OD1-NH2 2.98Å
83	F	78.1	Confident	75.7	Confident	36 Å²	36	29 Å²	29	16%	0.158	15%	0.152	C	C	.	.			trans	-67.4	121.4	174.5	-60.1	-44.6	0	0	0	110	L58 F81 F147 W188 R191 F193	L58-F83 HydrophobicContact CD2-CE1 4.14Å; L58-F83 HydrophobicContact CD2-CZ 3.85Å; F81-F83 HydrophobicContact CB-CD1 3.92Å; F81-F83 HydrophobicContact CB-CD2 3.42Å; F81-F83 VanDerWaalsContact CB-CD2 3.42Å; F81-F83 HydrophobicContact CB-CE1 3.72Å; F81-F83 HydrophobicContact CB-CE2 3.22Å; F81-F83 HydrophobicContact CB-CG 3.81Å; F81-F83 HydrophobicContact CB-CZ 3.4Å; F81-F83 HydrophobicContact CD1-CE1 4.45Å; F81-F83 AromaticContact CD1-CE2 3.88Å; F81-F83 HydrophobicContact CD1-CE2 3.88Å; F81-F83 AromaticContact CD1-CZ 3.65Å; F81-F83 HydrophobicContact CD1-CZ 3.65Å; F81-F83 HydrophobicContact CD2-CE2 4.11Å; F81-F83 HydrophobicContact CG-CD2 4.1Å; F81-F83 HydrophobicContact CG-CE1 4.43Å; F81-F83 AromaticContact CG-CE2 3.47Å; F81-F83 HydrophobicContact CG-CE2 3.47Å; F81-F83 VanDerWaalsContact CG-CE2 3.47Å; F81-F83 AromaticContact CG-CZ 3.68Å; F81-F83 HydrophobicContact CG-CZ 3.68Å; F81-F83 PolarHBondContact O-N 2.99Å; F81-F83 VanDerWaalsContact O-N 3.11Å; F83-F147 HydrophobicContact CB-CE1 4.22Å; F83-F147 HydrophobicContact CD1-CE1 4.47Å; F83-F147 HydrophobicContact CD2-CD1 4.28Å; F83-F147 AromaticContact CD2-CE1 3.26Å; F83-F147 HydrophobicContact CD2-CE1 3.26Å; F83-F147 AromaticContact CD2-CZ 3.86Å; F83-F147 HydrophobicContact CD2-CZ 3.86Å; F83-F147 HydrophobicContact CE2-CD1 4.17Å; F83-F147 AromaticContact CE2-CE1 3.51Å; F83-F147 HydrophobicContact CE2-CE1 3.51Å; F83-F147 HydrophobicContact CE2-CZ 4.3Å; F83-F147 AromaticContact CG-CE1 3.77Å; F83-F147 HydrophobicContact CG-CE1 3.77Å; F83-F147 HydrophobicContact CZ-CE1 4.23Å; F83-W188 PolarHBondContact O-N 2.75Å; F83-R191 HydrophobicContact CD2-CG 4.35Å; F83-F193 AromaticContact CE2-CE2 3.99Å; F83-F193 HydrophobicContact CE2-CE2 3.99Å; F83-F193 AromaticContact CE2-CZ 3.84Å; F83-F193 HydrophobicContact CE2-CZ 3.84Å
84	R	74.6	Confident	74.7	Confident	47 Å²	47	31.6 Å²	31.6	18%	0.177	16%	0.163	C	C	.	.			trans	-111	152.9	-176.9	-54.5	-50.5	-178.2	160.5	-4.6	110	N82 C189	N82-R84 WeakPolarHBondContact O-CG 3.43Å; N82-R84 PolarHBondContact O-N 3.36Å; N82-R84 PolarHBondContact OD1-NH2 2.98Å; R84-C189 PolarHBondContact NH1-SG 3.1Å
85	L	69.4	Low	73.6	Confident	21 Å²	21	32 Å²	32	11%	0.11	16%	0.164	C	C	.	.			trans	-59.3	149.6	164.7	-77.6	166.7	0	0	0	109.8	T87 L90 L140 F143 F166 A185 P186 W188	L85-T87 VanDerWaalsContact C-N 3.27Å; L85-T87 PolarHBondContact O-N 3.35Å; L85-T87 PolarHBondContact O-OG1 2.68Å; L85-L90 HydrophobicContact CB-CD2 4.27Å; L85-L90 HydrophobicContact CD1-CD1 3.95Å; L85-L90 HydrophobicContact CD1-CD2 3.84Å; L85-L140 HydrophobicContact CD1-CD1 4.2Å; L85-F143 HydrophobicContact CD2-CB 4.34Å; L85-F166 HydrophobicContact CD1-CE1 4.2Å; L85-F166 HydrophobicContact CD1-CZ 4.38Å; L85-A185 HydrophobicContact CD1-CB 4.24Å; L85-P186 WeakPolarHBondContact CD1-O 3.44Å; L85-W188 HydrophobicContact CD2-CE3 4.28Å; L85-W188 HydrophobicContact CD2-CH2 3.73Å; L85-W188 HydrophobicContact CD2-CZ3 3.27Å; L85-W188 HydrophobicContact CG-CE3 4.39Å; L85-W188 HydrophobicContact CG-CZ3 3.8Å
86	D	70.8	Confident	72.4	Confident	73 Å²	73	34 Å²	34	39%	0.39	18%	0.183	S	C	.	.			trans	-62.5	95.3	163.1	-177.8	-27.4	0	0	0	107.8	S46 K88 C89 L90	S46-D86 WeakPolarHBondContact CB-OD1 3.36Å; S46-D86 PolarHBondContact OG-OD1 2.91Å; S46-D86 PolarHBondContact OG-OD2 3.43Å; D86-K88 PolarHBondContact O-N 2.95Å; D86-K88 WeakPolarHBondContact OD1-CB 3.32Å; D86-K88 PolarHBondContact OD1-N 3.13Å; D86-K88 VanDerWaalsContact OD1-N 3.1Å; D86-C89 HydrophobicContact CB-CB 3.87Å; D86-C89 PolarHBondContact O-N 3.3Å; D86-C89 PolarHBondContact OD1-N 2.85Å; D86-L90 WeakPolarHBondContact O-CB 3.19Å; D86-L90 PolarHBondContact O-N 2.86Å
87	T	66.3	Low	71	Confident	17 Å²	17	38 Å²	38	10%	0.104	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-31.3	-172.5	-60.1	0	0	0	0	111	V25 L85 V91 L130	V25-T87 HydrophobicContact CG2-CG2 3.71Å; L85-T87 VanDerWaalsContact C-N 3.27Å; L85-T87 PolarHBondContact O-N 3.35Å; L85-T87 PolarHBondContact O-OG1 2.68Å; T87-V91 HydrophobicContact CG2-CG2 4.4Å; T87-V91 WeakPolarHBondContact O-CB 3.45Å; T87-V91 WeakPolarHBondContact O-CG2 3.47Å; T87-V91 PolarHBondContact O-N 2.75Å; T87-L130 HydrophobicContact CG2-CD1 4.46Å; T87-L130 HydrophobicContact CG2-CD2 4.27Å
88	K	67.8	Low	69.3	Low	52 Å²	52	43.9 Å²	43.9	23%	0.226	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-56.5	174.4	178.1	-175.1	-179.9	-71.7	0	110.2	V25 L44 D86 L90 V91 E92	V25-K88 HydrophobicContact CG1-CB 3.79Å; L44-K88 HydrophobicContact CB-CD 3.7Å; L44-K88 HydrophobicContact CB-CG 4Å; L44-K88 HydrophobicContact CD1-CG 3.98Å; D86-K88 PolarHBondContact O-N 2.95Å; D86-K88 WeakPolarHBondContact OD1-CB 3.32Å; D86-K88 PolarHBondContact OD1-N 3.13Å; D86-K88 VanDerWaalsContact OD1-N 3.1Å; K88-L90 PolarHBondContact O-N 3.28Å; K88-V91 PolarHBondContact O-N 3.41Å; K88-E92 WeakPolarHBondContact CE-OE1 3.4Å; K88-E92 IonicContact NZ-OE1 2.67Å; K88-E92 PolarHBondContact NZ-OE1 3.35Å; K88-E92 IonicContact NZ-OE2 2.79Å; K88-E92 PolarHBondContact NZ-OE2 2.63Å; K88-E92 WeakPolarHBondContact O-CB 3.34Å; K88-E92 WeakPolarHBondContact O-CG 3.44Å; K88-E92 PolarHBondContact O-N 2.82Å
89	C	67.7	Low	67.5	Low	49 Å²	49	46.4 Å²	46.4	33%	0.331	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-38.2	-178.9	-171.6	0	0	0	0	111	D86 E92 N93	D86-C89 HydrophobicContact CB-CB 3.87Å; D86-C89 PolarHBondContact O-N 3.3Å; D86-C89 PolarHBondContact OD1-N 2.85Å; C89-E92 PolarHBondContact O-N 3.35Å; C89-N93 WeakPolarHBondContact O-CB 3.29Å; C89-N93 PolarHBondContact O-N 2.87Å; C89-N93 PolarHBondContact O-ND2 2.78Å; C89-N93 PolarHBondContact SG-ND2 2.79Å
90	L	67.2	Low	65.6	Low	9 Å²	9	46.7 Å²	46.7	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-57.8	-51.7	175.8	-169.6	69.2	0	0	0	111.9	L85 D86 K88 N93 L94 L140 F143 A185	L85-L90 HydrophobicContact CB-CD2 4.27Å; L85-L90 HydrophobicContact CD1-CD1 3.95Å; L85-L90 HydrophobicContact CD1-CD2 3.84Å; D86-L90 WeakPolarHBondContact O-CB 3.19Å; D86-L90 PolarHBondContact O-N 2.86Å; K88-L90 PolarHBondContact O-N 3.28Å; L90-N93 PolarHBondContact O-N 2.94Å; L90-L94 HydrophobicContact CG-CD1 4.43Å; L90-L94 WeakPolarHBondContact O-CB 3.28Å; L90-L94 WeakPolarHBondContact O-CG 3.4Å; L90-L94 PolarHBondContact O-N 2.59Å; L90-L140 HydrophobicContact CD1-CD1 4.11Å; L90-L140 HydrophobicContact CD1-CD2 3.12Å; L90-L140 HydrophobicContact CD1-CG 4.18Å; L90-L140 HydrophobicContact CD2-CD1 3.75Å; L90-L140 HydrophobicContact CD2-CD2 3.97Å; L90-L140 HydrophobicContact CG-CD1 4.3Å; L90-L140 HydrophobicContact CG-CD2 3.57Å; L90-F143 HydrophobicContact CD1-CD2 4.1Å; L90-F143 HydrophobicContact CD1-CE2 4.06Å; L90-A185 HydrophobicContact CD2-CB 3.62Å
91	V	63.5	Low	63.9	Low	15 Å²	15	48.9 Å²	48.9	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-45.9	179.9	175.1	0	0	0	0	110.1	T87 K88 N93 L94 L95 Y117 L130	T87-V91 HydrophobicContact CG2-CG2 4.4Å; T87-V91 WeakPolarHBondContact O-CB 3.45Å; T87-V91 WeakPolarHBondContact O-CG2 3.47Å; T87-V91 PolarHBondContact O-N 2.75Å; K88-V91 PolarHBondContact O-N 3.41Å; V91-N93 PolarHBondContact O-N 3.45Å; V91-L94 PolarHBondContact O-N 2.99Å; V91-L95 HydrophobicContact CG1-CD1 3.44Å; V91-L95 VanDerWaalsContact CG1-CD1 3.44Å; V91-L95 HydrophobicContact CG1-CG 3.98Å; V91-L95 WeakPolarHBondContact O-CB 3.37Å; V91-L95 WeakPolarHBondContact O-CG 3.37Å; V91-L95 PolarHBondContact O-N 2.81Å; V91-Y117 HydrophobicContact CB-CE2 4.49Å; V91-Y117 HydrophobicContact CG1-CD1 4.14Å; V91-Y117 HydrophobicContact CG1-CD2 3.8Å; V91-Y117 HydrophobicContact CG1-CE1 3.74Å; V91-Y117 HydrophobicContact CG1-CE2 3.39Å; V91-Y117 HydrophobicContact CG1-CG 4.16Å; V91-L130 HydrophobicContact CG2-CD1 4.34Å
92	E	65.4	Low	62.4	Low	84 Å²	84	51.8 Å²	51.8	39%	0.393	31%	0.308	S	S	.	.	H	α-helix	trans	-57.4	-35.2	176.2	-72.5	174.9	152.8	0	0	113	K88 C89	K88-E92 WeakPolarHBondContact CE-OE1 3.4Å; K88-E92 IonicContact NZ-OE1 2.67Å; K88-E92 PolarHBondContact NZ-OE1 3.35Å; K88-E92 IonicContact NZ-OE2 2.79Å; K88-E92 PolarHBondContact NZ-OE2 2.63Å; K88-E92 WeakPolarHBondContact O-CB 3.34Å; K88-E92 WeakPolarHBondContact O-CG 3.44Å; K88-E92 PolarHBondContact O-N 2.82Å; C89-E92 PolarHBondContact O-N 3.35Å
93	N	64.4	Low	61.2	Low	91 Å²	91	54.3 Å²	54.3	49%	0.487	32%	0.319	S	S	.	.	H	α-helix	trans	-79	-40.1	176.4	-79.6	-69.9	0	0	0	113.2	C89 L90 V91 L95 A96 F143	C89-N93 WeakPolarHBondContact O-CB 3.29Å; C89-N93 PolarHBondContact O-N 2.87Å; C89-N93 PolarHBondContact O-ND2 2.78Å; C89-N93 PolarHBondContact SG-ND2 2.79Å; L90-N93 PolarHBondContact O-N 2.94Å; V91-N93 PolarHBondContact O-N 3.45Å; N93-L95 PolarHBondContact O-N 3.18Å; N93-A96 PolarHBondContact O-N 3.46Å; N93-F143 HydrophobicContact CB-CZ 3.89Å
94	L	58.7	Low	60.1	Low	69 Å²	69	55 Å²	55	36%	0.361	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-32.8	178.6	-88.9	-178.6	0	0	0	112.4	L90 V91 A96 L140	L90-L94 HydrophobicContact CG-CD1 4.43Å; L90-L94 WeakPolarHBondContact O-CB 3.28Å; L90-L94 WeakPolarHBondContact O-CG 3.4Å; L90-L94 PolarHBondContact O-N 2.59Å; V91-L94 PolarHBondContact O-N 2.99Å; L94-A96 PolarHBondContact O-N 2.84Å; L94-L140 HydrophobicContact CD1-CD2 3.44Å; L94-L140 VanDerWaalsContact CD1-CD2 3.44Å; L94-L140 HydrophobicContact CD1-CG 4.26Å; L94-L140 HydrophobicContact CD2-CD2 3.72Å; L94-L140 HydrophobicContact CG-CD2 3.57Å
95	L	57.2	Low	59.3	Low	22 Å²	22	53.7 Å²	53.7	12%	0.115	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	9.7	-175.5	-61.1	-176.4	0	0	0	114.5	V91 N93 Y117 F128	V91-L95 HydrophobicContact CG1-CD1 3.44Å; V91-L95 VanDerWaalsContact CG1-CD1 3.44Å; V91-L95 HydrophobicContact CG1-CG 3.98Å; V91-L95 WeakPolarHBondContact O-CB 3.37Å; V91-L95 WeakPolarHBondContact O-CG 3.37Å; V91-L95 PolarHBondContact O-N 2.81Å; N93-L95 PolarHBondContact O-N 3.18Å; L95-Y117 HydrophobicContact CD1-CD1 3.51Å; L95-Y117 HydrophobicContact CD1-CD2 3.91Å; L95-Y117 HydrophobicContact CD1-CE1 4.27Å; L95-Y117 HydrophobicContact CD1-CG 3.28Å; L95-F128 HydrophobicContact CD2-CB 3.81Å; L95-F128 HydrophobicContact CD2-CD1 3.55Å; L95-F128 HydrophobicContact CD2-CD2 3.03Å; L95-F128 HydrophobicContact CD2-CE1 3.74Å; L95-F128 HydrophobicContact CD2-CE2 3.24Å; L95-F128 HydrophobicContact CD2-CG 3.18Å; L95-F128 HydrophobicContact CD2-CZ 3.59Å; L95-F128 HydrophobicContact CG-CD2 4.4Å
96	A	52.9	Low	59	Low	58 Å²	58	55 Å²	55	48%	0.479	33%	0.333	S	S	.	.			trans	69.7	167.4	-177.5	0	0	0	0	0	113.1	N93 L94	N93-A96 PolarHBondContact O-N 3.46Å; L94-A96 PolarHBondContact O-N 2.84Å
97	P	51.2	Low	58.6	Low	91 Å²	91	58.7 Å²	58.7	59%	0.591	35%	0.348	S	S	*	.	S	Bend	trans	-63	156.3	-146.2	27.6	-34.4	0	0	0	113.4	S99	P97-S99 PolarHBondContact O-N 3.1Å; P97-S99 PolarHBondContact O-OG 3.33Å
98	P	46.9	Very low	58.4	Low	138 Å²	138	58.2 Å²	58.2	90%	0.896	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-0	-166.4	17.6	-35	0	0	0	118.2	V100	P98-V100 VanDerWaalsContact C-N 3.31Å; P98-V100 PolarHBondContact O-N 3.11Å
99	S	47.9	Very low	58.5	Low	89 Å²	89	63.5 Å²	63.5	62%	0.622	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.9	-179.4	35.9	0	0	0	0	114.4	P97	P97-S99 PolarHBondContact O-N 3.1Å; P97-S99 PolarHBondContact O-OG 3.33Å
100	V	48.2	Very low	58.3	Low	10 Å²	10	65.5 Å²	65.5	6%	0.061	39%	0.385	C	S	.	.	S	Bend	trans	-157.1	52.3	-162.2	-156.4	0	0	0	0	116.4	P98 H119 V120 R121	P98-V100 VanDerWaalsContact C-N 3.31Å; P98-V100 PolarHBondContact O-N 3.11Å; V100-H119 WeakPolarHBondContact O-CA 3.3Å; V100-H119 PolarHBondContact O-CD2 2.84Å; V100-H119 VanDerWaalsContact O-CD2 3.27Å; V100-V120 VanDerWaalsContact CG1-CA 3.47Å; V100-V120 HydrophobicContact CG1-CB 3.34Å; V100-V120 HydrophobicContact CG1-CG2 3.82Å; V100-R121 HydrophobicContact CG1-CB 3.86Å; V100-R121 HydrophobicContact CG1-CG 3.92Å; V100-R121 HydrophobicContact CG2-CB 4.37Å; V100-R121 HydrophobicContact CG2-CG 3.92Å
101	A	54.4	Low	58.2	Low	54 Å²	54	66.6 Å²	66.6	45%	0.446	40%	0.398	S	S	.	.			trans	-129.6	111.2	164.7	0	0	0	0	0	110.7	Y117 K118	A101-Y117 HydrophobicContact CB-CD1 4.28Å; A101-K118 WeakPolarHBondContact CA-O 3.24Å
102	V	52.4	Low	58	Low	61 Å²	61	70 Å²	70	37%	0.37	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.1	165.7	171.8	0	0	0	0	107.1	K118 V120	V102-K118 PolarHBondContact N-O 3.22Å; V102-K118 PolarHBondContact O-N 3.46Å; V102-V120 HydrophobicContact CB-CG2 4.41Å; V102-V120 HydrophobicContact CG2-CG2 3.55Å
103	Q	59.2	Low	57.6	Low	54 Å²	54	68.6 Å²	68.6	25%	0.252	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.5	170.8	-173.8	-172.4	-16.2	0	0	109.1	V115 Q116 Y117	Q103-V115 HydrophobicContact CG-CG1 3.48Å; Q103-V115 VanDerWaalsContact CG-CG1 3.48Å; Q103-Q116 CarbonylContact C-O 3.47Å; Q103-Q116 WeakPolarHBondContact CA-O 3.3Å; Q103-Y117 HydrophobicContact CB-CD1 4.41Å; Q103-Y117 HydrophobicContact CB-CE1 4.32Å; Q103-Y117 HydrophobicContact CG-CE1 4.27Å
104	T	55.2	Low	57.4	Low	52 Å²	52	67 Å²	67	32%	0.319	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.3	167.2	-47.9	0	0	0	0	108.7	T106 Q116	T104-T106 HydrophobicContact CG2-CG2 4.01Å; T104-Q116 PolarHBondContact N-O 3.39Å; T104-Q116 PolarHBondContact O-N 2.86Å
105	V	59.7	Low	57.5	Low	19 Å²	19	63.7 Å²	63.7	12%	0.115	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.5	169.6	-176.6	0	0	0	0	107.2	M27 L42 P113 R114	M27-V105 HydrophobicContact CE-CB 3.95Å; M27-V105 HydrophobicContact CE-CG1 3.37Å; M27-V105 HydrophobicContact CE-CG2 3.33Å; M27-V105 HydrophobicContact SD-CG2 3.33Å; M27-V105 WeakPolarHBondContact SD-CG2 3.25Å; L42-V105 HydrophobicContact CB-CG2 4.05Å; L42-V105 HydrophobicContact CD1-CB 3.94Å; L42-V105 HydrophobicContact CD1-CG1 4.08Å; L42-V105 HydrophobicContact CD1-CG2 3.93Å; V105-P113 HydrophobicContact CG1-CB 4.31Å; V105-R114 WeakPolarHBondContact CA-O 3.47Å
106	T	62.4	Low	57.8	Low	48 Å²	48	64.2 Å²	64.2	29%	0.294	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	153.9	172.9	54.5	0	0	0	0	109.5	T104 P113 R114	T104-T106 HydrophobicContact CG2-CG2 4.01Å; T106-P113 CarbonylContact O-C 3.56Å; T106-R114 PolarHBondContact N-O 2.66Å; T106-R114 PolarHBondContact O-N 3.02Å
107	Q	62.7	Low	58.1	Low	150 Å²	150	62 Å²	62	70%	0.701	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	127.1	167	-162.8	171.5	17.2	0	0	107.8	G111	Q107-G111 VanDerWaalsContact CG-C 3.49Å; Q107-G111 WeakPolarHBondContact CG-O 3.43Å; Q107-G111 PolarHBondContact NE2-O 3.11Å
108	G	61.5	Low	58.4	Low	8 Å²	8	60.7 Å²	60.7	8%	0.082	35%	0.347	C	S	.	.			trans	-70.4	167.1	171.4	0	0	0	0	0	111.7	D110 G111 Q112	G108-D110 PolarHBondContact O-N 3.15Å; G108-D110 VanDerWaalsContact O-N 3.12Å; G108-G111 WeakPolarHBondContact O-CA 3.48Å; G108-G111 PolarHBondContact O-N 3.05Å; G108-Q112 PolarHBondContact N-O 3.26Å
109	D	69.1	Low	58.8	Low	162 Å²	162	57.1 Å²	57.1	87%	0.866	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.2	178.6	-48.4	-53.7	0	0	0	112.7	G111	D109-G111 VanDerWaalsContact C-N 3.25Å
110	D	64.9	Low	59.2	Low	92 Å²	92	57.5 Å²	57.5	49%	0.492	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	5.4	173.9	61.4	-11.7	0	0	0	113.5	G108 Q112	G108-D110 PolarHBondContact O-N 3.15Å; G108-D110 VanDerWaalsContact O-N 3.12Å; D110-Q112 HydrophobicContact CB-CG 4.35Å; D110-Q112 PolarHBondContact O-N 2.71Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.44Å; D110-Q112 PolarHBondContact OD1-N 2.75Å; D110-Q112 VanDerWaalsContact OD1-N 3.13Å; D110-Q112 WeakPolarHBondContact OD2-CG 3.3Å
111	G	64.4	Low	59.5	Low	31 Å²	31	66.6 Å²	66.6	32%	0.32	35%	0.35	S	S	.	.	S	Bend	trans	74.9	1.4	-176.2	0	0	0	0	0	114.2	Q107 G108 D109	Q107-G111 VanDerWaalsContact CG-C 3.49Å; Q107-G111 WeakPolarHBondContact CG-O 3.43Å; Q107-G111 PolarHBondContact NE2-O 3.11Å; G108-G111 WeakPolarHBondContact O-CA 3.48Å; G108-G111 PolarHBondContact O-N 3.05Å; D109-G111 VanDerWaalsContact C-N 3.25Å
112	Q	58.5	Low	59.4	Low	87 Å²	87	66.5 Å²	66.5	41%	0.407	35%	0.346	S	S	.	.			trans	-88.6	148.2	-176.5	-59.8	-60.2	-53.8	0	0	111.4	G108 D110	G108-Q112 PolarHBondContact N-O 3.26Å; D110-Q112 HydrophobicContact CB-CG 4.35Å; D110-Q112 PolarHBondContact O-N 2.71Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.44Å; D110-Q112 PolarHBondContact OD1-N 2.75Å; D110-Q112 VanDerWaalsContact OD1-N 3.13Å; D110-Q112 WeakPolarHBondContact OD2-CG 3.3Å
113	P	57.5	Low	59.3	Low	54 Å²	54	67 Å²	67	35%	0.351	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	143.5	174	27.2	-33.6	0	0	0	110.3	I22 V105 T106	I22-P113 WeakPolarHBondContact CD1-O 3.19Å; I22-P113 HydrophobicContact CG2-CB 4.38Å; I22-P113 HydrophobicContact CG2-CG 4.08Å; V105-P113 HydrophobicContact CG1-CB 4.31Å; T106-P113 CarbonylContact O-C 3.56Å
114	R	60.1	Low	58.8	Low	57 Å²	57	70.2 Å²	70.2	22%	0.215	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134	170.3	-66.5	-174.7	177.9	171.5	-1.6	108.1	V105 T106 D131	V105-R114 WeakPolarHBondContact CA-O 3.47Å; T106-R114 PolarHBondContact N-O 2.66Å; T106-R114 PolarHBondContact O-N 3.02Å; R114-D131 VanDerWaalsContact CD-OD1 3.31Å; R114-D131 WeakPolarHBondContact CD-OD1 3.44Å; R114-D131 WeakPolarHBondContact CG-OD1 3.23Å; R114-D131 IonicContact NE-OD1 3.2Å
115	V	61.7	Low	58.3	Low	1 Å²	1	72.3 Å²	72.3	1%	0.006	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.2	177.4	-175.6	0	0	0	0	108.9	I22 Q103 Y117 L130	I22-V115 HydrophobicContact CG2-CG2 4.26Å; Q103-V115 HydrophobicContact CG-CG1 3.48Å; Q103-V115 VanDerWaalsContact CG-CG1 3.48Å; V115-Y117 HydrophobicContact CB-CE2 4.46Å; V115-Y117 HydrophobicContact CG1-CD2 4.14Å; V115-Y117 HydrophobicContact CG1-CE2 3.5Å; V115-Y117 VanDerWaalsContact CG1-CE2 3.5Å; V115-L130 HydrophobicContact CB-CB 4.3Å; V115-L130 PolarHBondContact O-N 3.12Å
116	Q	62.1	Low	57.5	Low	33 Å²	33	76.2 Å²	76.2	15%	0.154	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.3	175.8	-63.2	179	10.9	0	0	108.9	Q103 T104 K129	Q103-Q116 CarbonylContact C-O 3.47Å; Q103-Q116 WeakPolarHBondContact CA-O 3.3Å; T104-Q116 PolarHBondContact N-O 3.39Å; T104-Q116 PolarHBondContact O-N 2.86Å; Q116-K129 HydrophobicContact CG-CG 4.4Å
117	Y	59.8	Low	56.5	Low	10 Å²	10	77.5 Å²	77.5	4%	0.039	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.7	170.7	-64	-99.4	0	0	0	109.1	L44 V91 L95 A101 Q103 V115 Q126 F128	L44-Y117 HydrophobicContact CD1-CE1 4.49Å; L44-Y117 WeakPolarHBondContact CD1-OH 3.22Å; V91-Y117 HydrophobicContact CB-CE2 4.49Å; V91-Y117 HydrophobicContact CG1-CD1 4.14Å; V91-Y117 HydrophobicContact CG1-CD2 3.8Å; V91-Y117 HydrophobicContact CG1-CE1 3.74Å; V91-Y117 HydrophobicContact CG1-CE2 3.39Å; V91-Y117 HydrophobicContact CG1-CG 4.16Å; L95-Y117 HydrophobicContact CD1-CD1 3.51Å; L95-Y117 HydrophobicContact CD1-CD2 3.91Å; L95-Y117 HydrophobicContact CD1-CE1 4.27Å; L95-Y117 HydrophobicContact CD1-CG 3.28Å; A101-Y117 HydrophobicContact CB-CD1 4.28Å; Q103-Y117 HydrophobicContact CB-CD1 4.41Å; Q103-Y117 HydrophobicContact CB-CE1 4.32Å; Q103-Y117 HydrophobicContact CG-CE1 4.27Å; V115-Y117 HydrophobicContact CB-CE2 4.46Å; V115-Y117 HydrophobicContact CG1-CD2 4.14Å; V115-Y117 HydrophobicContact CG1-CE2 3.5Å; V115-Y117 VanDerWaalsContact CG1-CE2 3.5Å; Y117-Q126 VanDerWaalsContact O-O 3.04Å; Y117-F128 PolarHBondContact N-O 2.69Å
118	K	57.5	Low	55.8	Low	64 Å²	64	73.6 Å²	73.6	28%	0.278	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.5	177.9	-71.1	-179.7	172.5	-113.5	0	110.6	A101 V102 V120 D125	A101-K118 WeakPolarHBondContact CA-O 3.24Å; V102-K118 PolarHBondContact N-O 3.22Å; V102-K118 PolarHBondContact O-N 3.46Å; K118-V120 PolarHBondContact O-N 3.06Å; K118-D125 IonicContact NZ-OD1 2.72Å; K118-D125 PolarHBondContact NZ-OD1 2.66Å; K118-D125 IonicContact NZ-OD2 2.84Å; K118-D125 PolarHBondContact NZ-OD2 3.39Å
119	H	56.4	Low	55	Low	63 Å²	63	76.9 Å²	76.9	29%	0.292	40%	0.403	S	S	.	.			trans	-83.1	108.1	175.6	-173.1	-104.2	0	0	0	110.5	V100 R121 S122	V100-H119 WeakPolarHBondContact O-CA 3.3Å; V100-H119 PolarHBondContact O-CD2 2.84Å; V100-H119 VanDerWaalsContact O-CD2 3.27Å; H119-R121 VanDerWaalsContact C-N 3.26Å; H119-R121 PolarHBondContact O-N 3.11Å; H119-S122 WeakPolarHBondContact ND1-CB 3.46Å; H119-S122 PolarHBondContact ND1-N 3.3Å; H119-S122 VanDerWaalsContact ND1-N 3.13Å; H119-S122 PolarHBondContact ND1-OG 3.04Å
120	V	56	Low	54	Low	98 Å²	98	69.7 Å²	69.7	59%	0.594	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.1	-178.5	-166	0	0	0	0	114	V100 V102 K118	V100-V120 VanDerWaalsContact CG1-CA 3.47Å; V100-V120 HydrophobicContact CG1-CB 3.34Å; V100-V120 HydrophobicContact CG1-CG2 3.82Å; V102-V120 HydrophobicContact CB-CG2 4.41Å; V102-V120 HydrophobicContact CG2-CG2 3.55Å; K118-V120 PolarHBondContact O-N 3.06Å
121	R	55	Low	53.1	Low	200 Å²	200	67 Å²	67	76%	0.755	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-28.9	-171.8	-83.5	-171.5	-174.6	-158.5	-0.3	115.1	V100 H119	V100-R121 HydrophobicContact CG1-CB 3.86Å; V100-R121 HydrophobicContact CG1-CG 3.92Å; V100-R121 HydrophobicContact CG2-CB 4.37Å; V100-R121 HydrophobicContact CG2-CG 3.92Å; H119-R121 VanDerWaalsContact C-N 3.26Å; H119-R121 PolarHBondContact O-N 3.11Å
122	S	52.1	Low	52.1	Low	52 Å²	52	73 Å²	73	36%	0.364	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-17.8	-173.3	50.6	0	0	0	0	112.9	H119 E124	H119-S122 WeakPolarHBondContact ND1-CB 3.46Å; H119-S122 PolarHBondContact ND1-N 3.3Å; H119-S122 VanDerWaalsContact ND1-N 3.13Å; H119-S122 PolarHBondContact ND1-OG 3.04Å; S122-E124 PolarHBondContact O-N 3.32Å; S122-E124 PolarHBondContact OG-O 3.2Å
123	G	48.7	Very low	51.5	Low	72 Å²	72	73.7 Å²	73.7	74%	0.742	37%	0.366	S	S	*	.			trans	63.9	-18.3	-167.9	0	0	0	0	0	113.5	D125	G123-D125 PolarHBondContact O-N 3.31Å
124	E	49.7	Very low	50.8	Low	121 Å²	121	72.1 Å²	72.1	57%	0.565	36%	0.355	S	S	*	.			trans	-70.1	111.1	165.5	-63.4	-171.9	164.1	0	0	109.1	S122 Q126	S122-E124 PolarHBondContact O-N 3.32Å; S122-E124 PolarHBondContact OG-O 3.2Å; E124-Q126 PolarHBondContact O-N 2.91Å
125	D	44.6	Very low	50.1	Low	96 Å²	96	76.6 Å²	76.6	51%	0.513	38%	0.376	S	S	.	.			trans	-62.1	76.7	162.3	-86.3	-20.7	0	0	0	108.4	K118 G123 L127	K118-D125 IonicContact NZ-OD1 2.72Å; K118-D125 PolarHBondContact NZ-OD1 2.66Å; K118-D125 IonicContact NZ-OD2 2.84Å; K118-D125 PolarHBondContact NZ-OD2 3.39Å; G123-D125 PolarHBondContact O-N 3.31Å; D125-L127 PolarHBondContact O-N 2.81Å
126	Q	43.8	Very low	49.3	Very low	102 Å²	102	81.2 Å²	81.2	48%	0.477	40%	0.401	S	S	.	.			trans	-69.7	89.3	161.8	-71	-163.4	8.8	0	0	106.9	Y117 E124 F128	Y117-Q126 VanDerWaalsContact O-O 3.04Å; E124-Q126 PolarHBondContact O-N 2.91Å; Q126-F128 HydrophobicContact CB-CD2 4.15Å; Q126-F128 HydrophobicContact CB-CE2 3.68Å; Q126-F128 VanDerWaalsContact O-CD2 3.23Å; Q126-F128 WeakPolarHBondContact O-CD2 3.29Å; Q126-F128 PolarHBondContact O-N 2.79Å
127	L	40.8	Very low	48.4	Very low	74 Å²	74	80.1 Å²	80.1	39%	0.387	40%	0.396	S	S	.	.			trans	-77.5	86.6	-172.9	-152.4	91.4	0	0	0	109.2	D125 K129	D125-L127 PolarHBondContact O-N 2.81Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 HydrophobicContact CD2-CD 3.95Å; L127-K129 HydrophobicContact CD2-CG 3.74Å; L127-K129 HydrophobicContact CG-CG 4.26Å; L127-K129 PolarHBondContact O-N 2.96Å
128	F	47.2	Very low	47.5	Very low	68 Å²	68	86.6 Å²	86.6	30%	0.298	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	89.4	167.3	-64.8	-95	0	0	0	107.7	L95 Y117 Q126 L130	L95-F128 HydrophobicContact CD2-CB 3.81Å; L95-F128 HydrophobicContact CD2-CD1 3.55Å; L95-F128 HydrophobicContact CD2-CD2 3.03Å; L95-F128 HydrophobicContact CD2-CE1 3.74Å; L95-F128 HydrophobicContact CD2-CE2 3.24Å; L95-F128 HydrophobicContact CD2-CG 3.18Å; L95-F128 HydrophobicContact CD2-CZ 3.59Å; L95-F128 HydrophobicContact CG-CD2 4.4Å; Y117-F128 PolarHBondContact N-O 2.69Å; Q126-F128 HydrophobicContact CB-CD2 4.15Å; Q126-F128 HydrophobicContact CB-CE2 3.68Å; Q126-F128 VanDerWaalsContact O-CD2 3.23Å; Q126-F128 WeakPolarHBondContact O-CD2 3.29Å; Q126-F128 PolarHBondContact O-N 2.79Å; F128-L130 PolarHBondContact O-N 2.77Å
129	K	46	Very low	46.5	Very low	78 Å²	78	86 Å²	86	34%	0.339	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	106.7	167.1	-77.3	179.7	174.3	-176	0	107.5	Q116 L127 D131	Q116-K129 HydrophobicContact CG-CG 4.4Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 HydrophobicContact CD2-CD 3.95Å; L127-K129 HydrophobicContact CD2-CG 3.74Å; L127-K129 HydrophobicContact CG-CG 4.26Å; L127-K129 PolarHBondContact O-N 2.96Å; K129-D131 WeakPolarHBondContact CD-OD2 3.36Å; K129-D131 PolarHBondContact O-N 2.67Å
130	L	47.3	Very low	45.5	Very low	11 Å²	11	84.2 Å²	84.2	6%	0.058	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	76	152.7	-163.8	78.9	0	0	0	105.7	V25 T87 V91 V115 F128 P134	V25-L130 HydrophobicContact CG2-CD2 3.79Å; T87-L130 HydrophobicContact CG2-CD1 4.46Å; T87-L130 HydrophobicContact CG2-CD2 4.27Å; V91-L130 HydrophobicContact CG2-CD1 4.34Å; V115-L130 HydrophobicContact CB-CB 4.3Å; V115-L130 PolarHBondContact O-N 3.12Å; F128-L130 PolarHBondContact O-N 2.77Å; L130-P134 HydrophobicContact CD1-CB 4.17Å
131	D	45.5	Very low	44.3	Very low	35 Å²	35	89.9 Å²	89.9	19%	0.187	45%	0.446	C	S	.	.	S	Bend	trans	-70.9	-173	161.1	-78	-30.4	0	0	0	107.7	R114 K129 E133	R114-D131 VanDerWaalsContact CD-OD1 3.31Å; R114-D131 WeakPolarHBondContact CD-OD1 3.44Å; R114-D131 WeakPolarHBondContact CG-OD1 3.23Å; R114-D131 IonicContact NE-OD1 3.2Å; K129-D131 WeakPolarHBondContact CD-OD2 3.36Å; K129-D131 PolarHBondContact O-N 2.67Å; D131-E133 PolarHBondContact O-N 3.27Å
132	R	44.3	Very low	43.1	Very low	158 Å²	158	84 Å²	84	60%	0.596	43%	0.427	S	S	*	.	S	Bend	trans	-50.5	-17	166.9	-74.6	-172	176.9	-171.5	-0.3	112.8	C20 N21	C20-R132 HydrophobicContact CB-CG 4.23Å; N21-R132 PolarHBondContact ND2-O 3.04Å
133	E	46.5	Very low	41.9	Very low	100 Å²	100	85.5 Å²	85.5	47%	0.467	43%	0.427	S	S	.	.	S	Bend	trans	-128.1	107.8	-174.6	-53.3	-177.4	170.3	0	0	111.7	D131 K135 N182 T183	D131-E133 PolarHBondContact O-N 3.27Å; E133-K135 PolarHBondContact O-N 3.39Å; E133-K135 VanDerWaalsContact O-N 3.1Å; E133-N182 CarbonylContact C-O 3.54Å; E133-N182 WeakPolarHBondContact CA-O 3.26Å; E133-T183 HydrophobicContact CG-CG2 4.34Å
134	P	42.4	Very low	40.9	Very low	21 Å²	21	85.8 Å²	85.8	14%	0.136	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-68.7	104.9	172.3	26.9	-31.3	0	0	0	110.2	N21 L130 N136 N182 T183	N21-P134 WeakPolarHBondContact ND2-CD 2.79Å; L130-P134 HydrophobicContact CD1-CB 4.17Å; P134-N136 PolarHBondContact O-N 3.04Å; P134-N182 CarbonylContact C-O 3.54Å; P134-N182 VanDerWaalsContact CD-O 3.25Å; P134-N182 WeakPolarHBondContact CD-O 3.4Å; P134-T183 VanDerWaalsContact CD-O 3.25Å; P134-T183 WeakPolarHBondContact CD-O 3.45Å
135	K	45.6	Very low	40.1	Very low	151 Å²	151	83.2 Å²	83.2	66%	0.657	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-2.8	-176.4	-70.3	-170.6	177	-175.6	0	116	E133	E133-K135 PolarHBondContact O-N 3.39Å; E133-K135 VanDerWaalsContact O-N 3.1Å
136	N	44.5	Very low	39.3	Very low	98 Å²	98	84.4 Å²	84.4	52%	0.524	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.7	58.5	-170.5	-142.8	2.5	0	0	0	115.1	P134 L138	P134-N136 PolarHBondContact O-N 3.04Å; N136-L138 VanDerWaalsContact C-N 3.3Å
137	H	43.5	Very low	38.9	Very low	11 Å²	11	82.5 Å²	82.5	5%	0.051	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-82.2	-3.1	176.6	68.3	-97.3	0	0	0	114	G139 L140 Y180 M181 N182 P186	H137-G139 PolarHBondContact O-N 3.35Å; H137-L140 HydrophobicContact CB-CD1 3.77Å; H137-L140 HydrophobicContact CB-CG 4.2Å; H137-L140 VanDerWaalsContact O-CB 3.31Å; H137-L140 WeakPolarHBondContact O-CB 3.2Å; H137-L140 VanDerWaalsContact O-CG 3.26Å; H137-L140 WeakPolarHBondContact O-CG 3.19Å; H137-L140 PolarHBondContact O-N 3.05Å; H137-Y180 WeakPolarHBondContact NE2-CB 3.42Å; H137-M181 PolarHBondContact CE1-O 3.32Å; H137-M181 VanDerWaalsContact CE1-O 3.23Å; H137-N182 PolarHBondContact CE1-OD1 3.12Å; H137-N182 PolarHBondContact ND1-OD1 3.43Å; H137-P186 HydrophobicContact CB-CG 4.37Å
138	L	41.3	Very low	38.4	Very low	146 Å²	146	82.9 Å²	82.9	76%	0.764	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-62.3	-15.9	-176.1	-65.5	173.4	0	0	0	113.6	N136	N136-L138 VanDerWaalsContact C-N 3.3Å
139	G	36	Very low	37.5	Very low	52 Å²	52	83.7 Å²	83.7	54%	0.536	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-88.5	-2.5	174.2	0	0	0	0	0	115.3	H137 R141	H137-G139 PolarHBondContact O-N 3.35Å; G139-R141 PolarHBondContact O-N 3.13Å; G139-R141 VanDerWaalsContact O-N 3.09Å
140	L	34.3	Very low	36.7	Very low	24 Å²	24	90.3 Å²	90.3	13%	0.126	44%	0.439	C	S	.	.			trans	-74.1	103	-177	-64.2	-174.8	0	0	0	111.2	L85 L90 L94 H137 A185	L85-L140 HydrophobicContact CD1-CD1 4.2Å; L90-L140 HydrophobicContact CD1-CD1 4.11Å; L90-L140 HydrophobicContact CD1-CD2 3.12Å; L90-L140 HydrophobicContact CD1-CG 4.18Å; L90-L140 HydrophobicContact CD2-CD1 3.75Å; L90-L140 HydrophobicContact CD2-CD2 3.97Å; L90-L140 HydrophobicContact CG-CD1 4.3Å; L90-L140 HydrophobicContact CG-CD2 3.57Å; L94-L140 HydrophobicContact CD1-CD2 3.44Å; L94-L140 VanDerWaalsContact CD1-CD2 3.44Å; L94-L140 HydrophobicContact CD1-CG 4.26Å; L94-L140 HydrophobicContact CD2-CD2 3.72Å; L94-L140 HydrophobicContact CG-CD2 3.57Å; H137-L140 HydrophobicContact CB-CD1 3.77Å; H137-L140 HydrophobicContact CB-CG 4.2Å; H137-L140 VanDerWaalsContact O-CB 3.31Å; H137-L140 WeakPolarHBondContact O-CB 3.2Å; H137-L140 VanDerWaalsContact O-CG 3.26Å; H137-L140 WeakPolarHBondContact O-CG 3.19Å; H137-L140 PolarHBondContact O-N 3.05Å; L140-A185 HydrophobicContact CD1-CB 3.91Å
141	R	30.6	Very low	35.8	Very low	218 Å²	218	98.4 Å²	98.4	82%	0.823	48%	0.476	S	S	*	.			trans	-72	144.9	161.1	-63	-171.9	-177.8	-168.2	0.7	108.6	G139 F143	G139-R141 PolarHBondContact O-N 3.13Å; G139-R141 VanDerWaalsContact O-N 3.09Å; R141-F143 PolarHBondContact O-N 3.28Å
142	E	29.7	Very low	35.3	Very low	77 Å²	77	98.9 Å²	98.9	36%	0.36	49%	0.485	S	S	.	.			trans	-51.7	102.8	172.1	-75.1	-179.8	167.2	0	0	109.3	F163 F166 W188	E142-F163 HydrophobicContact CB-CD1 4.48Å; E142-F166 HydrophobicContact CG-CE2 4.34Å; E142-F166 HydrophobicContact CG-CZ 4.49Å; E142-W188 HydrophobicContact CG-CZ2 4.49Å
143	F	27.7	Very low	34.8	Very low	82 Å²	82	99.9 Å²	99.9	36%	0.36	50%	0.502	S	S	.	.			trans	-67.8	135.3	167.7	-89	-88.7	0	0	0	107.6	L85 L90 N93 R141 I145 W188	L85-F143 HydrophobicContact CD2-CB 4.34Å; L90-F143 HydrophobicContact CD1-CD2 4.1Å; L90-F143 HydrophobicContact CD1-CE2 4.06Å; N93-F143 HydrophobicContact CB-CZ 3.89Å; R141-F143 PolarHBondContact O-N 3.28Å; F143-I145 PolarHBondContact O-N 3.37Å; F143-W188 WeakPolarHBondContact O-CH2 3.05Å
144	P	27.5	Very low	34.4	Very low	79 Å²	79	101 Å²	101	51%	0.513	51%	0.51	S	S	.	.			trans	-62.1	108.4	172.6	23	-30.1	0	0	0	109.1	N146 F163	P144-N146 PolarHBondContact O-N 2.93Å; P144-F163 HydrophobicContact CB-CE1 3.95Å; P144-F163 HydrophobicContact CB-CZ 3.98Å
145	I	32.3	Very low	34.2	Very low	66 Å²	66	105.6 Å²	105.6	34%	0.338	53%	0.525	S	S	.	.			trans	-71.8	113.1	168	-45.1	168.2	0	0	0	107.3	F143 F147 W188	F143-I145 PolarHBondContact O-N 3.37Å; I145-F147 HydrophobicContact CB-CD2 4.26Å; I145-F147 HydrophobicContact CB-CE2 4.25Å; I145-F147 HydrophobicContact CD1-CD2 4.49Å; I145-F147 HydrophobicContact CD1-CE2 3.7Å; I145-F147 HydrophobicContact CD1-CZ 3.7Å; I145-F147 HydrophobicContact CG2-CD1 4.22Å; I145-F147 HydrophobicContact CG2-CD2 4.02Å; I145-F147 HydrophobicContact CG2-CE1 4.28Å; I145-F147 HydrophobicContact CG2-CE2 4.16Å; I145-F147 HydrophobicContact CG2-CG 4.06Å; I145-F147 HydrophobicContact CG2-CZ 4.28Å; I145-F147 PolarHBondContact O-N 3.03Å; I145-W188 HydrophobicContact CD1-CB 3.95Å; I145-W188 HydrophobicContact CD1-CD2 3.13Å; I145-W188 HydrophobicContact CD1-CE3 2.92Å; I145-W188 HydrophobicContact CD1-CG 3.67Å; I145-W188 HydrophobicContact CD1-CH2 3.77Å; I145-W188 HydrophobicContact CD1-CZ2 4.01Å; I145-W188 HydrophobicContact CD1-CZ3 3.24Å; I145-W188 HydrophobicContact CG1-CD2 3.92Å; I145-W188 HydrophobicContact CG1-CE3 3.4Å; I145-W188 VanDerWaalsContact CG1-CE3 3.4Å; I145-W188 HydrophobicContact CG1-CH2 3.36Å; I145-W188 HydrophobicContact CG1-CZ2 3.94Å; I145-W188 HydrophobicContact CG1-CZ3 3.05Å
146	N	28.5	Very low	33.7	Very low	122 Å²	122	100.3 Å²	100.3	65%	0.652	51%	0.506	S	S	*	.			trans	-82.8	98.3	159.2	-69	-52.9	0	0	0	106.4	P144 L148	P144-N146 PolarHBondContact O-N 2.93Å; N146-L148 PolarHBondContact O-N 3.2Å
147	F	34.7	Very low	33.3	Very low	62 Å²	62	100.7 Å²	100.7	27%	0.272	52%	0.517	S	S	.	.			trans	-59	-23.4	-166.1	-107.1	-68.7	0	0	0	115.4	F83 I145	F83-F147 HydrophobicContact CB-CE1 4.22Å; F83-F147 HydrophobicContact CD1-CE1 4.47Å; F83-F147 HydrophobicContact CD2-CD1 4.28Å; F83-F147 AromaticContact CD2-CE1 3.26Å; F83-F147 HydrophobicContact CD2-CE1 3.26Å; F83-F147 AromaticContact CD2-CZ 3.86Å; F83-F147 HydrophobicContact CD2-CZ 3.86Å; F83-F147 HydrophobicContact CE2-CD1 4.17Å; F83-F147 AromaticContact CE2-CE1 3.51Å; F83-F147 HydrophobicContact CE2-CE1 3.51Å; F83-F147 HydrophobicContact CE2-CZ 4.3Å; F83-F147 AromaticContact CG-CE1 3.77Å; F83-F147 HydrophobicContact CG-CE1 3.77Å; F83-F147 HydrophobicContact CZ-CE1 4.23Å; I145-F147 HydrophobicContact CB-CD2 4.26Å; I145-F147 HydrophobicContact CB-CE2 4.25Å; I145-F147 HydrophobicContact CD1-CD2 4.49Å; I145-F147 HydrophobicContact CD1-CE2 3.7Å; I145-F147 HydrophobicContact CD1-CZ 3.7Å; I145-F147 HydrophobicContact CG2-CD1 4.22Å; I145-F147 HydrophobicContact CG2-CD2 4.02Å; I145-F147 HydrophobicContact CG2-CE1 4.28Å; I145-F147 HydrophobicContact CG2-CE2 4.16Å; I145-F147 HydrophobicContact CG2-CG 4.06Å; I145-F147 HydrophobicContact CG2-CZ 4.28Å; I145-F147 PolarHBondContact O-N 3.03Å
148	L	30.8	Very low	33	Very low	82 Å²	82	106.4 Å²	106.4	43%	0.429	54%	0.539	S	S	.	.	S	Bend	trans	-150.2	149.4	-170.2	-68.2	170.2	0	0	0	110.3	N146 R150 Y155	N146-L148 PolarHBondContact O-N 3.2Å; L148-R150 PolarHBondContact O-N 2.84Å; L148-Y155 HydrophobicContact CD1-CD2 3.94Å; L148-Y155 HydrophobicContact CD1-CE1 4.27Å; L148-Y155 HydrophobicContact CD1-CE2 3.52Å; L148-Y155 HydrophobicContact CD1-CG 4.47Å
149	P	29.4	Very low	33	Very low	84 Å²	84	103.5 Å²	103.5	55%	0.545	53%	0.527	S	S	.	.			trans	-52.2	129.3	171.7	21	-30.5	0	0	0	108.3	H151	P149-H151 PolarHBondContact O-N 3.32Å
150	R	27.7	Very low	33.1	Very low	218 Å²	218	102.7 Å²	102.7	82%	0.823	52%	0.515	S	S	*	.	S	Bend	trans	-56.5	2.2	174.8	-77.1	-174.4	-74.1	-98.9	-0.1	114.1	L148 A152	L148-R150 PolarHBondContact O-N 2.84Å; R150-A152 PolarHBondContact O-N 3.05Å
151	H	29.9	Very low	33.4	Very low	180 Å²	180	110.3 Å²	110.3	83%	0.833	55%	0.547	S	S	*	.			trans	-98	56.4	-177.5	-70	-97.4	0	0	0	111.9	P149	P149-H151 PolarHBondContact O-N 3.32Å
152	A	33.8	Very low	33.9	Very low	45 Å²	45	107 Å²	107	37%	0.372	54%	0.535	S	S	.	.			trans	-160.9	120.3	151.7	0	0	0	0	0	107.3	R150 I154	R150-A152 PolarHBondContact O-N 3.05Å; A152-I154 HydrophobicContact CB-CB 4.08Å; A152-I154 HydrophobicContact CB-CD1 4.15Å; A152-I154 HydrophobicContact CB-CG1 4.05Å; A152-I154 PolarHBondContact O-N 3.23Å
153	N	35.1	Very low	34.6	Very low	180 Å²	180	108.5 Å²	108.5	96%	0.963	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	31.6	166.3	-68.5	-39.8	0	0	0	112.3
154	I	37.1	Very low	36	Very low	124 Å²	124	105.5 Å²	105.5	64%	0.636	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-7.8	-177.9	-64.2	176.9	0	0	0	111.1	A152	A152-I154 HydrophobicContact CB-CB 4.08Å; A152-I154 HydrophobicContact CB-CD1 4.15Å; A152-I154 HydrophobicContact CB-CG1 4.05Å; A152-I154 PolarHBondContact O-N 3.23Å
155	Y	38.4	Very low	37.9	Very low	116 Å²	116	104.3 Å²	104.3	46%	0.455	52%	0.521	S	S	.	.	S	Bend	trans	-113.6	120.8	-179.1	-67.3	-75	0	0	0	113.6	L148	L148-Y155 HydrophobicContact CD1-CD2 3.94Å; L148-Y155 HydrophobicContact CD1-CE1 4.27Å; L148-Y155 HydrophobicContact CD1-CE2 3.52Å; L148-Y155 HydrophobicContact CD1-CG 4.47Å
156	P	35.3	Very low	39.9	Very low	40 Å²	40	101.8 Å²	101.8	26%	0.26	51%	0.507	S	S	.	.			trans	-66.4	154.2	176.9	31.6	-39	0	0	0	110	Y158 V159 D196	P156-Y158 HydrophobicContact CB-CD2 4.26Å; P156-Y158 PolarHBondContact O-N 3.22Å; P156-V159 PolarHBondContact O-N 3.16Å; P156-D196 WeakPolarHBondContact CB-OD1 3.21Å; P156-D196 WeakPolarHBondContact CB-OD2 3.42Å; P156-D196 VanDerWaalsContact CG-CG 3.44Å; P156-D196 WeakPolarHBondContact CG-OD1 3.19Å; P156-D196 WeakPolarHBondContact CG-OD2 3.4Å
157	S	36.8	Very low	42.4	Very low	106 Å²	106	96 Å²	96	74%	0.741	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	10.8	175.9	44.5	0	0	0	0	116.3
158	Y	35.9	Very low	44.8	Very low	131 Å²	131	93.6 Å²	93.6	51%	0.514	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	19.3	-175.3	-52.3	-76.4	0	0	0	114.2	P156 A160 W199	P156-Y158 HydrophobicContact CB-CD2 4.26Å; P156-Y158 PolarHBondContact O-N 3.22Å; Y158-A160 PolarHBondContact O-N 3.05Å; Y158-W199 AromaticContact CD1-NE1 3.83Å; Y158-W199 AromaticContact CG-NE1 3.64Å
159	V	41.2	Very low	47.2	Very low	86 Å²	86	89.7 Å²	89.7	52%	0.521	45%	0.445	S	S	.	.	S	Bend	trans	-66.3	74.4	147.1	-166.5	0	0	0	0	105.4	P156 K161	P156-V159 PolarHBondContact O-N 3.16Å; V159-K161 PolarHBondContact O-N 2.98Å
160	A	39.2	Very low	49.9	Very low	34 Å²	34	86.2 Å²	86.2	28%	0.281	42%	0.422	S	S	.	.			trans	-59.5	140.9	-167.6	0	0	0	0	0	106.8	Y158 W162	Y158-A160 PolarHBondContact O-N 3.05Å; A160-W162 HydrophobicContact CB-CG 4.2Å; A160-W162 PolarHBondContact O-N 3.05Å
161	K	39.1	Very low	52.6	Low	184 Å²	184	78 Å²	78	80%	0.8	39%	0.393	S	S	*	.			trans	-65.3	55.1	-179.3	-168	-179.8	179.6	-178.9	0	109.7	V159 F163	V159-K161 PolarHBondContact O-N 2.98Å; K161-F163 VanDerWaalsContact C-N 3.3Å; K161-F163 HydrophobicContact CD-CE2 4.32Å; K161-F163 HydrophobicContact CG-CD2 4.04Å; K161-F163 HydrophobicContact CG-CE2 3.68Å; K161-F163 PolarHBondContact O-N 3.04Å; K161-F163 VanDerWaalsContact O-N 3.11Å
162	W	41.8	Very low	55.4	Low	150 Å²	150	75.8 Å²	75.8	57%	0.568	38%	0.383	S	S	*	.			trans	-82.4	84.7	174.7	-63.3	113.2	0	0	0	105.9	A160 F164	A160-W162 HydrophobicContact CB-CG 4.2Å; A160-W162 PolarHBondContact O-N 3.05Å; W162-F164 VanDerWaalsContact C-N 3.32Å; W162-F164 PolarHBondContact O-N 3.06Å
163	F	44.1	Very low	58	Low	107 Å²	107	75.8 Å²	75.8	47%	0.469	38%	0.377	S	S	.	.			trans	-58.6	105.9	156.6	-76	-86.8	0	0	0	105.9	E142 P144 K161	E142-F163 HydrophobicContact CB-CD1 4.48Å; P144-F163 HydrophobicContact CB-CE1 3.95Å; P144-F163 HydrophobicContact CB-CZ 3.98Å; K161-F163 VanDerWaalsContact C-N 3.3Å; K161-F163 HydrophobicContact CD-CE2 4.32Å; K161-F163 HydrophobicContact CG-CD2 4.04Å; K161-F163 HydrophobicContact CG-CE2 3.68Å; K161-F163 PolarHBondContact O-N 3.04Å; K161-F163 VanDerWaalsContact O-N 3.11Å
164	F	56.9	Low	60.6	Low	20 Å²	20	74 Å²	74	9%	0.088	37%	0.365	C	S	.	.			trans	-125.9	142.4	-172	-172.9	-90.6	0	0	0	108.1	W162 W188 Y211 D212 I213	W162-F164 VanDerWaalsContact C-N 3.32Å; W162-F164 PolarHBondContact O-N 3.06Å; F164-W188 PolarHBondContact O-NE1 2.87Å; F164-Y211 HydrophobicContact CB-CD1 4.49Å; F164-Y211 HydrophobicContact CB-CE1 4.45Å; F164-Y211 HydrophobicContact CD1-CE1 4.35Å; F164-Y211 HydrophobicContact CD2-CD1 4.16Å; F164-Y211 HydrophobicContact CG-CD1 4.14Å; F164-Y211 HydrophobicContact CG-CE1 4.14Å; F164-D212 VanDerWaalsContact CE2-CA 3.48Å; F164-D212 HydrophobicContact CE2-CB 4.35Å; F164-D212 WeakPolarHBondContact CE2-OD1 3.38Å; F164-D212 VanDerWaalsContact CZ-OD1 3.29Å; F164-D212 WeakPolarHBondContact CZ-OD1 2.91Å; F164-I213 HydrophobicContact CD1-CD1 4.47Å; F164-I213 HydrophobicContact CE1-CB 4.3Å; F164-I213 HydrophobicContact CE1-CD1 3.33Å; F164-I213 HydrophobicContact CE1-CG1 3.38Å; F164-I213 HydrophobicContact CZ-CB 3.98Å; F164-I213 HydrophobicContact CZ-CD1 3.73Å; F164-I213 HydrophobicContact CZ-CG1 3.57Å; F164-I213 VanDerWaalsContact CZ-N 3.31Å
165	S	67.6	Low	63.2	Low	54 Å²	54	74.8 Å²	74.8	38%	0.378	37%	0.371	S	S	.	.			trans	-52.6	147.9	-177.5	-55.8	0	0	0	0	111.5	S167	S165-S167 PolarHBondContact O-N 2.8Å
166	F	75.3	Confident	65.6	Low	12 Å²	12	73.8 Å²	73.8	5%	0.053	37%	0.369	C	S	.	.			trans	-54.9	133.9	172.4	-59.8	-72.3	0	0	0	109.5	L85 E142 Y168 F170 Y180 P186 A187 W188	L85-F166 HydrophobicContact CD1-CE1 4.2Å; L85-F166 HydrophobicContact CD1-CZ 4.38Å; E142-F166 HydrophobicContact CG-CE2 4.34Å; E142-F166 HydrophobicContact CG-CZ 4.49Å; F166-Y168 VanDerWaalsContact C-N 3.27Å; F166-F170 VanDerWaalsContact O-CZ 3.26Å; F166-F170 WeakPolarHBondContact O-CZ 3.33Å; F166-Y180 HydrophobicContact CB-CE1 3.72Å; F166-Y180 HydrophobicContact CD2-CE2 4.43Å; F166-Y180 PolarHBondContact N-OH 2.96Å; F166-Y180 PolarHBondContact O-OH 2.74Å; F166-Y180 VanDerWaalsContact O-OH 3.05Å; F166-P186 HydrophobicContact CB-CB 3.7Å; F166-P186 HydrophobicContact CD1-CB 3.78Å; F166-P186 WeakPolarHBondContact CD1-O 3.29Å; F166-P186 HydrophobicContact CD2-CB 3.2Å; F166-P186 HydrophobicContact CD2-CG 4.29Å; F166-P186 HydrophobicContact CE1-CB 4.1Å; F166-P186 VanDerWaalsContact CE1-O 3.29Å; F166-P186 WeakPolarHBondContact CE1-O 3.45Å; F166-P186 HydrophobicContact CE2-CB 3.6Å; F166-P186 HydrophobicContact CG-CB 3.28Å; F166-P186 HydrophobicContact CZ-CB 4.03Å; F166-A187 CarbonylContact C-O 3.46Å; F166-A187 WeakPolarHBondContact CA-O 3.11Å; F166-A187 WeakPolarHBondContact CB-O 3.37Å; F166-A187 VanDerWaalsContact CD1-N 3.27Å; F166-W188 AromaticContact CD1-CD1 3.67Å; F166-W188 AromaticContact CD1-CD2 3.55Å; F166-W188 HydrophobicContact CD1-CD2 3.55Å; F166-W188 AromaticContact CD1-CE2 3.4Å; F166-W188 VanDerWaalsContact CD1-CE2 3.4Å; F166-W188 HydrophobicContact CD1-CE3 4.06Å; F166-W188 AromaticContact CD1-CG 3.94Å; F166-W188 HydrophobicContact CD1-CG 3.94Å; F166-W188 HydrophobicContact CD1-CH2 4.44Å; F166-W188 AromaticContact CD1-CZ2 3.92Å; F166-W188 HydrophobicContact CD1-CZ2 3.92Å; F166-W188 AromaticContact CD1-NE1 3.45Å; F166-W188 AromaticContact CE1-CD2 3.55Å; F166-W188 HydrophobicContact CE1-CD2 3.55Å; F166-W188 AromaticContact CE1-CE2 3.24Å; F166-W188 AromaticContact CE1-CE3 3.71Å; F166-W188 HydrophobicContact CE1-CE3 3.71Å; F166-W188 HydrophobicContact CE1-CG 4.41Å; F166-W188 AromaticContact CE1-CH2 3.49Å; F166-W188 HydrophobicContact CE1-CH2 3.49Å; F166-W188 VanDerWaalsContact CE1-CH2 3.49Å; F166-W188 AromaticContact CE1-CZ2 3.24Å; F166-W188 HydrophobicContact CE1-CZ2 3.24Å; F166-W188 AromaticContact CE1-CZ3 3.71Å; F166-W188 HydrophobicContact CE1-CZ3 3.71Å; F166-W188 AromaticContact CE1-NE1 3.76Å; F166-W188 HydrophobicContact CZ-CH2 4.02Å; F166-W188 AromaticContact CZ-CZ2 3.76Å; F166-W188 HydrophobicContact CZ-CZ2 3.76Å
167	S	81.1	Confident	67.9	Low	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.361	C	S	.	.			trans	-88.7	-1.1	177.2	41.4	0	0	0	0	112.3	S165 F170 A187 C189 D190 K224	S165-S167 PolarHBondContact O-N 2.8Å; S167-F170 VanDerWaalsContact C-CE2 3.42Å; S167-F170 WeakPolarHBondContact O-CE2 3.49Å; S167-A187 PolarHBondContact N-O 2.75Å; S167-C189 PolarHBondContact OG-N 3.29Å; S167-C189 VanDerWaalsContact OG-N 3.15Å; S167-D190 PolarHBondContact OG-N 2.81Å; S167-D190 VanDerWaalsContact OG-N 3.11Å; S167-D190 PolarHBondContact OG-O 3.29Å; S167-K224 WeakPolarHBondContact CB-O 3.33Å; S167-K224 PolarHBondContact O-N 2.75Å
168	Y	83.9	Confident	70.1	Confident	13 Å²	13	69.8 Å²	69.8	5%	0.051	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-164.1	151	-170.4	173.8	-86.4	0	0	0	110.8	F166 R184 P186 A187 D222 H223	F166-Y168 VanDerWaalsContact C-N 3.27Å; Y168-R184 HydrophobicContact CE1-CB 4.02Å; Y168-R184 HydrophobicContact CE1-CG 4.18Å; Y168-R184 WeakPolarHBondContact OH-CD 2.84Å; Y168-R184 PolarHBondContact OH-NE 3.15Å; Y168-P186 CarbonylContact O-C 3.4Å; Y168-P186 VanDerWaalsContact O-CA 3.23Å; Y168-P186 WeakPolarHBondContact O-CA 3.49Å; Y168-A187 HydrophobicContact CD1-CB 4.19Å; Y168-A187 PolarHBondContact N-O 3.29Å; Y168-A187 PolarHBondContact O-N 3.11Å; Y168-D222 HydrophobicContact CE2-CB 4.3Å; Y168-D222 VanDerWaalsContact CE2-OD2 3.24Å; Y168-D222 WeakPolarHBondContact CE2-OD2 3.46Å; Y168-H223 AromaticContact CD2-CD2 3.3Å; Y168-H223 WeakPolarHBondContact CD2-CD2 3.35Å; Y168-H223 AromaticContact CD2-CE1 3.45Å; Y168-H223 VanDerWaalsContact CD2-CE1 3.45Å; Y168-H223 WeakPolarHBondContact CD2-CE1 3.49Å; Y168-H223 AromaticContact CD2-CG 3.7Å; Y168-H223 AromaticContact CD2-ND1 3.76Å; Y168-H223 AromaticContact CD2-NE2 3.11Å; Y168-H223 WeakPolarHBondContact CD2-NE2 3.4Å; Y168-H223 AromaticContact CE2-CD2 3.51Å; Y168-H223 AromaticContact CE2-CE1 3.94Å; Y168-H223 AromaticContact CE2-NE2 3.19Å; Y168-H223 WeakPolarHBondContact CE2-NE2 3.36Å
169	P	82.4	Confident	72.3	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.346	C	S	.	.	P	Polyproline II helix	cis	-97.6	118.8	-11.6	34.5	-29.3	0	0	0	111	Y180 M181 R184 D222	P169-Y180 CarbonylContact O-C 3.54Å; P169-Y180 WeakPolarHBondContact O-CA 3.3Å; P169-Y180 WeakPolarHBondContact O-CB 3.16Å; P169-Y180 WeakPolarHBondContact O-CD1 3.47Å; P169-M181 HydrophobicContact CB-CG 3.37Å; P169-M181 HydrophobicContact CB-SD 3.65Å; P169-M181 HydrophobicContact CG-CG 3.5Å; P169-M181 VanDerWaalsContact CG-CG 3.5Å; P169-M181 HydrophobicContact CG-SD 4.29Å; P169-M181 WeakPolarHBondContact O-CG 3.34Å; P169-M181 PolarHBondContact O-N 3.37Å; P169-R184 HydrophobicContact CG-CB 4.16Å; P169-D222 CarbonylContact C-O 3.52Å; P169-D222 VanDerWaalsContact CA-O 3.3Å; P169-D222 WeakPolarHBondContact CA-O 3.43Å; P169-D222 HydrophobicContact CB-CB 4.32Å
170	F	86.3	Confident	74.1	Confident	11 Å²	11	65 Å²	65	5%	0.048	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-73.1	158.5	172.5	-67.7	-82.2	0	0	0	111.5	F166 S167 V179 Y180 I213 D222 K224	F166-F170 VanDerWaalsContact O-CZ 3.26Å; F166-F170 WeakPolarHBondContact O-CZ 3.33Å; S167-F170 VanDerWaalsContact C-CE2 3.42Å; S167-F170 WeakPolarHBondContact O-CE2 3.49Å; F170-V179 CarbonylContact C-O 3.53Å; F170-V179 WeakPolarHBondContact CA-O 3.48Å; F170-Y180 HydrophobicContact CD1-CD1 4.07Å; F170-Y180 AromaticContact CD1-CE1 3.93Å; F170-Y180 HydrophobicContact CD1-CE1 3.93Å; F170-Y180 HydrophobicContact CD2-CE1 4.42Å; F170-Y180 HydrophobicContact CE1-CD1 4.11Å; F170-Y180 AromaticContact CE1-CE1 3.5Å; F170-Y180 HydrophobicContact CE1-CE1 3.5Å; F170-Y180 AromaticContact CE1-CZ 3.93Å; F170-Y180 HydrophobicContact CE2-CE1 4.07Å; F170-Y180 HydrophobicContact CG-CD1 4.39Å; F170-Y180 HydrophobicContact CG-CE1 4.38Å; F170-Y180 HydrophobicContact CZ-CD1 4.47Å; F170-Y180 AromaticContact CZ-CE1 3.59Å; F170-Y180 HydrophobicContact CZ-CE1 3.59Å; F170-I213 HydrophobicContact CE2-CD1 4.42Å; F170-I213 HydrophobicContact CZ-CD1 4.22Å; F170-D222 PolarHBondContact N-O 3.1Å; F170-D222 VanDerWaalsContact O-CA 3.29Å; F170-D222 WeakPolarHBondContact O-CA 3.19Å; F170-D222 WeakPolarHBondContact O-CB 3.15Å; F170-K224 HydrophobicContact CD1-CD 4.32Å; F170-K224 HydrophobicContact CD2-CB 4.01Å; F170-K224 HydrophobicContact CD2-CD 3.74Å; F170-K224 HydrophobicContact CD2-CG 3.48Å; F170-K224 VanDerWaalsContact CD2-CG 3.48Å; F170-K224 HydrophobicContact CE1-CD 4.29Å; F170-K224 HydrophobicContact CE2-CB 3.76Å; F170-K224 HydrophobicContact CE2-CD 3.68Å; F170-K224 HydrophobicContact CE2-CG 3.65Å; F170-K224 HydrophobicContact CG-CD 4.05Å; F170-K224 HydrophobicContact CG-CG 4.12Å; F170-K224 HydrophobicContact CZ-CD 3.98Å; F170-K224 HydrophobicContact CZ-CG 4.44Å
171	M	84	Confident	75.7	Confident	45 Å²	45	64.8 Å²	64.8	22%	0.222	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-72.3	136	171.4	-71.1	-170.2	-177.9	0	0	110	D173 K176 V179 Y180 M181	M171-D173 HydrophobicContact CB-CB 4.39Å; M171-D173 PolarHBondContact O-N 3.4Å; M171-K176 HydrophobicContact CB-CB 4.31Å; M171-K176 HydrophobicContact SD-CB 4.08Å; M171-K176 HydrophobicContact SD-CD 3.52Å; M171-K176 VanDerWaalsContact SD-CD 3.52Å; M171-K176 HydrophobicContact SD-CG 4.47Å; M171-V179 HydrophobicContact CE-CB 4.29Å; M171-V179 HydrophobicContact CE-CG1 3.51Å; M171-V179 HydrophobicContact CG-CB 4.22Å; M171-V179 HydrophobicContact CG-CG1 4.37Å; M171-V179 WeakPolarHBondContact CG-O 3.32Å; M171-V179 PolarHBondContact N-O 3.19Å; M171-V179 HydrophobicContact SD-CB 3.95Å; M171-V179 HydrophobicContact SD-CG1 3.83Å; M171-Y180 WeakPolarHBondContact CE-O 3.09Å; M171-M181 HydrophobicContact CG-CB 4.16Å
172	E	88.2	Confident	77.1	Confident	133 Å²	133	59.3 Å²	59.3	62%	0.621	30%	0.303	S	S	*	.	S	Bend	trans	-83.6	43.2	173.3	-55.8	-175.3	99.5	0	0	111.4	D222	E172-D222 HydrophobicContact CG-CB 4.25Å
173	D	88.6	Confident	78	Confident	46 Å²	46	54 Å²	54	25%	0.246	29%	0.288	C	S	.	.			trans	-119.2	123.8	-179.5	179	-7.3	0	0	0	108.3	M171 D175 K176	M171-D173 HydrophobicContact CB-CB 4.39Å; M171-D173 PolarHBondContact O-N 3.4Å; D173-D175 PolarHBondContact O-N 3.43Å; D173-D175 VanDerWaalsContact O-N 3.16Å; D173-D175 PolarHBondContact OD1-N 3.42Å; D173-K176 HydrophobicContact CB-CB 4.08Å; D173-K176 HydrophobicContact CB-CG 4.33Å; D173-K176 CarbonylContact O-C 3.57Å; D173-K176 PolarHBondContact O-N 3.24Å; D173-K176 IonicContact OD2-NZ 2.96Å; D173-K176 PolarHBondContact OD2-NZ 2.94Å
174	I	90.4	Very high	79.2	Confident	141 Å²	141	50.6 Å²	50.6	72%	0.723	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.7	-176.3	58.8	169.6	0	0	0	112.3
175	D	92	Very high	79.8	Confident	142 Å²	142	50.3 Å²	50.3	76%	0.759	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-4.4	-179.1	-61.6	-39.2	0	0	0	112.7	D173	D173-D175 PolarHBondContact O-N 3.43Å; D173-D175 VanDerWaalsContact O-N 3.16Å; D173-D175 PolarHBondContact OD1-N 3.42Å
176	K	87.3	Confident	80.1	Confident	95 Å²	95	47.9 Å²	47.9	41%	0.413	26%	0.256	S	S	.	.			trans	-129.7	40.3	-174.5	-57	-168.6	-173.4	99.7	0	113.7	M171 D173 G178 V179	M171-K176 HydrophobicContact CB-CB 4.31Å; M171-K176 HydrophobicContact SD-CB 4.08Å; M171-K176 HydrophobicContact SD-CD 3.52Å; M171-K176 VanDerWaalsContact SD-CD 3.52Å; M171-K176 HydrophobicContact SD-CG 4.47Å; D173-K176 HydrophobicContact CB-CB 4.08Å; D173-K176 HydrophobicContact CB-CG 4.33Å; D173-K176 CarbonylContact O-C 3.57Å; D173-K176 PolarHBondContact O-N 3.24Å; D173-K176 IonicContact OD2-NZ 2.96Å; D173-K176 PolarHBondContact OD2-NZ 2.94Å; K176-G178 PolarHBondContact O-N 3.17Å; K176-V179 HydrophobicContact CB-CB 4.16Å; K176-V179 HydrophobicContact CB-CG2 3.9Å; K176-V179 PolarHBondContact O-N 3.2Å
177	A	84.7	Confident	80.1	Confident	11 Å²	11	47.4 Å²	47.4	9%	0.091	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-36.5	-175.3	0	0	0	0	0	115.2	D217 T218 K224	A177-D217 VanDerWaalsContact CB-C 3.46Å; A177-T218 VanDerWaalsContact CB-C 3.41Å; A177-K224 VanDerWaalsContact O-CE 3.23Å; A177-K224 WeakPolarHBondContact O-CE 3.17Å; A177-K224 PolarHBondContact O-NZ 3.18Å
178	G	81.7	Confident	79.9	Confident	51 Å²	51	47.9 Å²	47.9	53%	0.526	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	4.4	-176.8	0	0	0	0	0	115.4	K176	K176-G178 PolarHBondContact O-N 3.17Å
179	V	83.4	Confident	79.9	Confident	67 Å²	67	47.3 Å²	47.3	41%	0.406	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-101	139.1	-173.1	-168	0	0	0	0	109.8	F170 M171 K176	F170-V179 CarbonylContact C-O 3.53Å; F170-V179 WeakPolarHBondContact CA-O 3.48Å; M171-V179 HydrophobicContact CE-CB 4.29Å; M171-V179 HydrophobicContact CE-CG1 3.51Å; M171-V179 HydrophobicContact CG-CB 4.22Å; M171-V179 HydrophobicContact CG-CG1 4.37Å; M171-V179 WeakPolarHBondContact CG-O 3.32Å; M171-V179 PolarHBondContact N-O 3.19Å; M171-V179 HydrophobicContact SD-CB 3.95Å; M171-V179 HydrophobicContact SD-CG1 3.83Å; K176-V179 HydrophobicContact CB-CB 4.16Å; K176-V179 HydrophobicContact CB-CG2 3.9Å; K176-V179 PolarHBondContact O-N 3.2Å
180	Y	78.9	Confident	80.1	Confident	48 Å²	48	47.5 Å²	47.5	19%	0.188	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-83.7	141.8	175.3	-59.7	-70.9	0	0	0	111.9	H137 F166 P169 F170 M171 P186	H137-Y180 WeakPolarHBondContact NE2-CB 3.42Å; F166-Y180 HydrophobicContact CB-CE1 3.72Å; F166-Y180 HydrophobicContact CD2-CE2 4.43Å; F166-Y180 PolarHBondContact N-OH 2.96Å; F166-Y180 PolarHBondContact O-OH 2.74Å; F166-Y180 VanDerWaalsContact O-OH 3.05Å; P169-Y180 CarbonylContact O-C 3.54Å; P169-Y180 WeakPolarHBondContact O-CA 3.3Å; P169-Y180 WeakPolarHBondContact O-CB 3.16Å; P169-Y180 WeakPolarHBondContact O-CD1 3.47Å; F170-Y180 HydrophobicContact CD1-CD1 4.07Å; F170-Y180 AromaticContact CD1-CE1 3.93Å; F170-Y180 HydrophobicContact CD1-CE1 3.93Å; F170-Y180 HydrophobicContact CD2-CE1 4.42Å; F170-Y180 HydrophobicContact CE1-CD1 4.11Å; F170-Y180 AromaticContact CE1-CE1 3.5Å; F170-Y180 HydrophobicContact CE1-CE1 3.5Å; F170-Y180 AromaticContact CE1-CZ 3.93Å; F170-Y180 HydrophobicContact CE2-CE1 4.07Å; F170-Y180 HydrophobicContact CG-CD1 4.39Å; F170-Y180 HydrophobicContact CG-CE1 4.38Å; F170-Y180 HydrophobicContact CZ-CD1 4.47Å; F170-Y180 AromaticContact CZ-CE1 3.59Å; F170-Y180 HydrophobicContact CZ-CE1 3.59Å; M171-Y180 WeakPolarHBondContact CE-O 3.09Å; Y180-P186 HydrophobicContact CD1-CB 4.48Å; Y180-P186 HydrophobicContact CD1-CG 4.43Å; Y180-P186 HydrophobicContact CD2-CB 4.49Å; Y180-P186 HydrophobicContact CD2-CG 4.01Å; Y180-P186 HydrophobicContact CG-CB 4.42Å; Y180-P186 HydrophobicContact CG-CG 3.93Å
181	M	72.6	Confident	79.9	Confident	31 Å²	31	47.6 Å²	47.6	15%	0.153	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-75.5	156	172.4	60.9	177.3	2.8	0	0	111.6	H137 P169 M171 T183 D222	H137-M181 PolarHBondContact CE1-O 3.32Å; H137-M181 VanDerWaalsContact CE1-O 3.23Å; P169-M181 HydrophobicContact CB-CG 3.37Å; P169-M181 HydrophobicContact CB-SD 3.65Å; P169-M181 HydrophobicContact CG-CG 3.5Å; P169-M181 VanDerWaalsContact CG-CG 3.5Å; P169-M181 HydrophobicContact CG-SD 4.29Å; P169-M181 WeakPolarHBondContact O-CG 3.34Å; P169-M181 PolarHBondContact O-N 3.37Å; M171-M181 HydrophobicContact CG-CB 4.16Å; M181-T183 VanDerWaalsContact C-N 3.26Å; M181-T183 HydrophobicContact CE-CG2 3.86Å; M181-T183 HydrophobicContact CG-CG2 4.36Å; M181-T183 VanDerWaalsContact CG-OG1 3.32Å; M181-T183 WeakPolarHBondContact CG-OG1 3.43Å; M181-T183 PolarHBondContact O-N 2.94Å; M181-T183 HydrophobicContact SD-CG2 3.95Å; M181-T183 PolarHBondContact SD-OG1 2.82Å; M181-D222 HydrophobicContact SD-CB 4Å
182	N	67.5	Low	79.6	Confident	68 Å²	68	46.3 Å²	46.3	36%	0.364	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	4.6	-179.2	-65.9	-27	0	0	0	113.6	E133 P134 H137 R184	E133-N182 CarbonylContact C-O 3.54Å; E133-N182 WeakPolarHBondContact CA-O 3.26Å; P134-N182 CarbonylContact C-O 3.54Å; P134-N182 VanDerWaalsContact CD-O 3.25Å; P134-N182 WeakPolarHBondContact CD-O 3.4Å; H137-N182 PolarHBondContact CE1-OD1 3.12Å; H137-N182 PolarHBondContact ND1-OD1 3.43Å; N182-R184 VanDerWaalsContact C-N 3.33Å
183	T	62	Low	79.2	Confident	39 Å²	39	43 Å²	43	24%	0.239	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-25.8	-176.1	62.9	0	0	0	0	112.2	N21 E133 P134 M181	N21-T183 PolarHBondContact ND2-O 2.85Å; E133-T183 HydrophobicContact CG-CG2 4.34Å; P134-T183 VanDerWaalsContact CD-O 3.25Å; P134-T183 WeakPolarHBondContact CD-O 3.45Å; M181-T183 VanDerWaalsContact C-N 3.26Å; M181-T183 HydrophobicContact CE-CG2 3.86Å; M181-T183 HydrophobicContact CG-CG2 4.36Å; M181-T183 VanDerWaalsContact CG-OG1 3.32Å; M181-T183 WeakPolarHBondContact CG-OG1 3.43Å; M181-T183 PolarHBondContact O-N 2.94Å; M181-T183 HydrophobicContact SD-CG2 3.95Å; M181-T183 PolarHBondContact SD-OG1 2.82Å
184	R	67.9	Low	78.7	Confident	35 Å²	35	43 Å²	43	13%	0.132	23%	0.233	C	C	.	.	S	Bend	trans	-146.4	162.8	172.8	-51.6	-161.8	-178.1	-132.6	7.8	110.6	D18 N21 Y168 P169 N182	D18-R184 PolarHBondContact O-NH1 2.94Å; D18-R184 VanDerWaalsContact O-NH1 3.13Å; D18-R184 PolarHBondContact O-NH2 2.75Å; N21-R184 WeakPolarHBondContact OD1-CD 3.37Å; N21-R184 WeakPolarHBondContact OD1-CG 3.23Å; N21-R184 PolarHBondContact OD1-NH1 3.15Å; Y168-R184 HydrophobicContact CE1-CB 4.02Å; Y168-R184 HydrophobicContact CE1-CG 4.18Å; Y168-R184 WeakPolarHBondContact OH-CD 2.84Å; Y168-R184 PolarHBondContact OH-NE 3.15Å; P169-R184 HydrophobicContact CG-CB 4.16Å; N182-R184 VanDerWaalsContact C-N 3.33Å
185	A	69.2	Low	78	Confident	15 Å²	15	38.4 Å²	38.4	12%	0.124	21%	0.21	C	C	.	.			trans	-63.9	138.9	166.8	0	0	0	0	0	109.2	L85 L90 L140 A187	L85-A185 HydrophobicContact CD1-CB 4.24Å; L90-A185 HydrophobicContact CD2-CB 3.62Å; L140-A185 HydrophobicContact CD1-CB 3.91Å; A185-A187 PolarHBondContact O-N 2.93Å
186	P	74.9	Confident	77.2	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.019	19%	0.19	C	C	.	.			trans	-45.1	134	166.7	-30.8	33.9	0	0	0	112.4	L85 H137 F166 Y168 Y180	L85-P186 WeakPolarHBondContact CD1-O 3.44Å; H137-P186 HydrophobicContact CB-CG 4.37Å; F166-P186 HydrophobicContact CB-CB 3.7Å; F166-P186 HydrophobicContact CD1-CB 3.78Å; F166-P186 WeakPolarHBondContact CD1-O 3.29Å; F166-P186 HydrophobicContact CD2-CB 3.2Å; F166-P186 HydrophobicContact CD2-CG 4.29Å; F166-P186 HydrophobicContact CE1-CB 4.1Å; F166-P186 VanDerWaalsContact CE1-O 3.29Å; F166-P186 WeakPolarHBondContact CE1-O 3.45Å; F166-P186 HydrophobicContact CE2-CB 3.6Å; F166-P186 HydrophobicContact CG-CB 3.28Å; F166-P186 HydrophobicContact CZ-CB 4.03Å; Y168-P186 CarbonylContact O-C 3.4Å; Y168-P186 VanDerWaalsContact O-CA 3.23Å; Y168-P186 WeakPolarHBondContact O-CA 3.49Å; Y180-P186 HydrophobicContact CD1-CB 4.48Å; Y180-P186 HydrophobicContact CD1-CG 4.43Å; Y180-P186 HydrophobicContact CD2-CB 4.49Å; Y180-P186 HydrophobicContact CD2-CG 4.01Å; Y180-P186 HydrophobicContact CG-CB 4.42Å; Y180-P186 HydrophobicContact CG-CG 3.93Å
187	A	75.1	Confident	76.7	Confident	2 Å²	2	31.7 Å²	31.7	2%	0.017	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-145.4	169.1	-171.6	0	0	0	0	0	111.2	F166 S167 Y168 A185	F166-A187 CarbonylContact C-O 3.46Å; F166-A187 WeakPolarHBondContact CA-O 3.11Å; F166-A187 WeakPolarHBondContact CB-O 3.37Å; F166-A187 VanDerWaalsContact CD1-N 3.27Å; S167-A187 PolarHBondContact N-O 2.75Å; Y168-A187 HydrophobicContact CD1-CB 4.19Å; Y168-A187 PolarHBondContact N-O 3.29Å; Y168-A187 PolarHBondContact O-N 3.11Å; A185-A187 PolarHBondContact O-N 2.93Å
188	W	77.1	Confident	76.3	Confident	10 Å²	10	31.5 Å²	31.5	4%	0.038	18%	0.176	C	C	.	.			trans	-113.8	57.4	-170.6	-64.9	-67.7	0	0	0	110.6	F83 L85 E142 F143 I145 F164 F166 R191	F83-W188 PolarHBondContact O-N 2.75Å; L85-W188 HydrophobicContact CD2-CE3 4.28Å; L85-W188 HydrophobicContact CD2-CH2 3.73Å; L85-W188 HydrophobicContact CD2-CZ3 3.27Å; L85-W188 HydrophobicContact CG-CE3 4.39Å; L85-W188 HydrophobicContact CG-CZ3 3.8Å; E142-W188 HydrophobicContact CG-CZ2 4.49Å; F143-W188 WeakPolarHBondContact O-CH2 3.05Å; I145-W188 HydrophobicContact CD1-CB 3.95Å; I145-W188 HydrophobicContact CD1-CD2 3.13Å; I145-W188 HydrophobicContact CD1-CE3 2.92Å; I145-W188 HydrophobicContact CD1-CG 3.67Å; I145-W188 HydrophobicContact CD1-CH2 3.77Å; I145-W188 HydrophobicContact CD1-CZ2 4.01Å; I145-W188 HydrophobicContact CD1-CZ3 3.24Å; I145-W188 HydrophobicContact CG1-CD2 3.92Å; I145-W188 HydrophobicContact CG1-CE3 3.4Å; I145-W188 VanDerWaalsContact CG1-CE3 3.4Å; I145-W188 HydrophobicContact CG1-CH2 3.36Å; I145-W188 HydrophobicContact CG1-CZ2 3.94Å; I145-W188 HydrophobicContact CG1-CZ3 3.05Å; F164-W188 PolarHBondContact O-NE1 2.87Å; F166-W188 AromaticContact CD1-CD1 3.67Å; F166-W188 AromaticContact CD1-CD2 3.55Å; F166-W188 HydrophobicContact CD1-CD2 3.55Å; F166-W188 AromaticContact CD1-CE2 3.4Å; F166-W188 VanDerWaalsContact CD1-CE2 3.4Å; F166-W188 HydrophobicContact CD1-CE3 4.06Å; F166-W188 AromaticContact CD1-CG 3.94Å; F166-W188 HydrophobicContact CD1-CG 3.94Å; F166-W188 HydrophobicContact CD1-CH2 4.44Å; F166-W188 AromaticContact CD1-CZ2 3.92Å; F166-W188 HydrophobicContact CD1-CZ2 3.92Å; F166-W188 AromaticContact CD1-NE1 3.45Å; F166-W188 AromaticContact CE1-CD2 3.55Å; F166-W188 HydrophobicContact CE1-CD2 3.55Å; F166-W188 AromaticContact CE1-CE2 3.24Å; F166-W188 AromaticContact CE1-CE3 3.71Å; F166-W188 HydrophobicContact CE1-CE3 3.71Å; F166-W188 HydrophobicContact CE1-CG 4.41Å; F166-W188 AromaticContact CE1-CH2 3.49Å; F166-W188 HydrophobicContact CE1-CH2 3.49Å; F166-W188 VanDerWaalsContact CE1-CH2 3.49Å; F166-W188 AromaticContact CE1-CZ2 3.24Å; F166-W188 HydrophobicContact CE1-CZ2 3.24Å; F166-W188 AromaticContact CE1-CZ3 3.71Å; F166-W188 HydrophobicContact CE1-CZ3 3.71Å; F166-W188 AromaticContact CE1-NE1 3.76Å; F166-W188 HydrophobicContact CZ-CH2 4.02Å; F166-W188 AromaticContact CZ-CZ2 3.76Å; F166-W188 HydrophobicContact CZ-CZ2 3.76Å; W188-R191 VanDerWaalsContact CG-NH2 3.26Å
189	C	84.4	Confident	76	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.			trans	-73.2	-55.5	-168.1	-60.7	0	0	0	0	112.5	D80 F81 R84 S167	D80-C189 WeakPolarHBondContact OD1-CB 3.39Å; F81-C189 PolarHBondContact N-O 3.31Å; R84-C189 PolarHBondContact NH1-SG 3.1Å; S167-C189 PolarHBondContact OG-N 3.29Å; S167-C189 VanDerWaalsContact OG-N 3.15Å
190	D	85.7	Confident	75.6	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	128.5	175.3	-62.6	-104.1	0	0	0	111.8	G79 S167 H223 S226 K253	G79-D190 VanDerWaalsContact O-CA 3.31Å; G79-D190 WeakPolarHBondContact O-CA 3.42Å; S167-D190 PolarHBondContact OG-N 2.81Å; S167-D190 VanDerWaalsContact OG-N 3.11Å; S167-D190 PolarHBondContact OG-O 3.29Å; D190-H223 IonicContact OD2-CE1 2.63Å; D190-H223 IonicContact OD2-CG 3.36Å; D190-H223 IonicContact OD2-ND1 3.46Å; D190-H223 PolarHBondContact OD2-ND1 3.01Å; D190-S226 PolarHBondContact O-OG 3.32Å; D190-S226 VanDerWaalsContact O-OG 3.1Å; D190-K253 IonicContact OD1-NZ 2.94Å; D190-K253 PolarHBondContact OD1-NZ 3.22Å
191	R	81.8	Confident	75.4	Confident	14 Å²	14	34.6 Å²	34.6	5%	0.053	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	159.4	179.2	-66.4	-62.8	179.7	-135.3	27.5	113.9	F78 G79 F81 F83 W188 F193 Y211	F78-R191 CarbonylContact C-O 3.49Å; F78-R191 WeakPolarHBondContact CA-O 3.29Å; G79-R191 PolarHBondContact N-O 3.38Å; G79-R191 PolarHBondContact O-N 2.95Å; F81-R191 HydrophobicContact CD2-CB 3.78Å; F81-R191 HydrophobicContact CD2-CG 4.48Å; F81-R191 HydrophobicContact CE2-CB 3.84Å; F83-R191 HydrophobicContact CD2-CG 4.35Å; W188-R191 VanDerWaalsContact CG-NH2 3.26Å; R191-F193 HydrophobicContact CB-CD2 4.5Å; R191-F193 HydrophobicContact CB-CE2 3.81Å; R191-F193 HydrophobicContact CB-CZ 3.82Å; R191-F193 HydrophobicContact CG-CZ 4.15Å; R191-Y211 WeakPolarHBondContact CA-OH 3.3Å; R191-Y211 VanDerWaalsContact CD-OH 3.24Å; R191-Y211 WeakPolarHBondContact CD-OH 3.48Å
192	V	79.3	Confident	75.3	Confident	17 Å²	17	33.4 Å²	33.4	10%	0.103	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.5	167.6	-171.7	0	0	0	0	108.1	V76 I77 F78 L194 Y211 S226 V228	V76-V192 HydrophobicContact CG1-CG1 3.57Å; I77-V192 CarbonylContact O-C 3.44Å; I77-V192 WeakPolarHBondContact O-CA 3.27Å; F78-V192 HydrophobicContact CB-CB 4.32Å; F78-V192 HydrophobicContact CB-CG1 4.2Å; F78-V192 HydrophobicContact CB-CG2 4Å; V192-L194 HydrophobicContact CG1-CD1 3.88Å; V192-Y211 HydrophobicContact CB-CE2 3.83Å; V192-Y211 HydrophobicContact CG2-CE2 4.04Å; V192-Y211 PolarHBondContact N-OH 2.81Å; V192-Y211 VanDerWaalsContact N-OH 3.13Å; V192-S226 WeakPolarHBondContact CG2-O 3.39Å; V192-V228 HydrophobicContact CB-CG2 3.91Å; V192-V228 HydrophobicContact CG1-CB 4.49Å; V192-V228 HydrophobicContact CG1-CG2 3.79Å
193	F	79.5	Confident	75.5	Confident	65 Å²	65	34.7 Å²	34.7	29%	0.285	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.9	177.7	-61.1	-65.9	0	0	0	109.3	V76 I77 F81 F83 R191	V76-F193 CarbonylContact C-O 3.58Å; V76-F193 WeakPolarHBondContact CA-O 3.31Å; I77-F193 HydrophobicContact CB-CB 4.37Å; I77-F193 PolarHBondContact N-O 3.23Å; I77-F193 PolarHBondContact O-N 3.35Å; F81-F193 HydrophobicContact CD1-CE2 4.2Å; F81-F193 HydrophobicContact CD2-CE2 4.03Å; F81-F193 HydrophobicContact CE1-CD2 4.05Å; F81-F193 AromaticContact CE1-CE2 3.8Å; F81-F193 HydrophobicContact CE1-CE2 3.8Å; F81-F193 AromaticContact CE2-CD2 3.94Å; F81-F193 HydrophobicContact CE2-CD2 3.94Å; F81-F193 AromaticContact CE2-CE2 3.63Å; F81-F193 HydrophobicContact CE2-CE2 3.63Å; F81-F193 HydrophobicContact CG-CE2 4.31Å; F81-F193 AromaticContact CZ-CD2 3.53Å; F81-F193 HydrophobicContact CZ-CD2 3.53Å; F81-F193 AromaticContact CZ-CE2 3.5Å; F81-F193 HydrophobicContact CZ-CE2 3.5Å; F83-F193 AromaticContact CE2-CE2 3.99Å; F83-F193 HydrophobicContact CE2-CE2 3.99Å; F83-F193 AromaticContact CE2-CZ 3.84Å; F83-F193 HydrophobicContact CE2-CZ 3.84Å; R191-F193 HydrophobicContact CB-CD2 4.5Å; R191-F193 HydrophobicContact CB-CE2 3.81Å; R191-F193 HydrophobicContact CB-CZ 3.82Å; R191-F193 HydrophobicContact CG-CZ 4.15Å
194	L	76.4	Confident	75.7	Confident	44 Å²	44	38.5 Å²	38.5	23%	0.23	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.3	176.4	-74.9	74.7	0	0	0	107.4	V76 V192 A198 W199 A202 V228	V76-L194 HydrophobicContact CG1-CD1 4.44Å; V76-L194 HydrophobicContact CG2-CG 4.36Å; V192-L194 HydrophobicContact CG1-CD1 3.88Å; L194-A198 HydrophobicContact CB-CB 4Å; L194-A198 HydrophobicContact CD2-CB 4.16Å; L194-A198 HydrophobicContact CG-CB 4.11Å; L194-W199 HydrophobicContact CB-CB 4.32Å; L194-W199 HydrophobicContact CD2-CE3 4.28Å; L194-A202 HydrophobicContact CD2-CB 4.01Å; L194-V228 HydrophobicContact CD1-CG2 3.88Å
195	N	77.1	Confident	75.5	Confident	45 Å²	45	37.4 Å²	37.4	24%	0.241	19%	0.187	C	C	.	.			trans	-74.1	173.2	164.5	77.7	-13.3	0	0	0	110.7	A73 L75 H197 A198 W199	A73-N195 PolarHBondContact O-ND2 2.74Å; L75-N195 HydrophobicContact CB-CB 4.3Å; L75-N195 PolarHBondContact N-OD1 2.87Å; L75-N195 PolarHBondContact O-N 2.71Å; L75-N195 PolarHBondContact O-OD1 2.83Å; N195-H197 PolarHBondContact O-N 3.17Å; N195-H197 VanDerWaalsContact O-N 3.16Å; N195-H197 PolarHBondContact OD1-N 3.44Å; N195-A198 PolarHBondContact O-N 2.83Å; N195-A198 WeakPolarHBondContact OD1-CB 3.36Å; N195-A198 PolarHBondContact OD1-N 3.28Å; N195-W199 VanDerWaalsContact O-CB 3.32Å; N195-W199 WeakPolarHBondContact O-CB 3.42Å; N195-W199 PolarHBondContact O-N 2.93Å
196	D	75.6	Confident	75.4	Confident	63 Å²	63	41.2 Å²	41.2	34%	0.337	21%	0.21	S	C	.	.	H	α-helix	trans	-55.9	-34.6	-178.7	-82.1	-43.5	0	0	0	113.9	P156 R200	P156-D196 WeakPolarHBondContact CB-OD1 3.21Å; P156-D196 WeakPolarHBondContact CB-OD2 3.42Å; P156-D196 VanDerWaalsContact CG-CG 3.44Å; P156-D196 WeakPolarHBondContact CG-OD1 3.19Å; P156-D196 WeakPolarHBondContact CG-OD2 3.4Å; D196-R200 WeakPolarHBondContact O-CB 3.27Å; D196-R200 VanDerWaalsContact O-CG 3.3Å; D196-R200 WeakPolarHBondContact O-CG 3.49Å; D196-R200 PolarHBondContact O-N 3.29Å; D196-R200 PolarHBondContact O-NE 3.03Å
197	H	76.1	Confident	75.1	Confident	33 Å²	33	45.3 Å²	45.3	15%	0.153	23%	0.232	C	C	.	.	H	α-helix	trans	-71.5	-48.5	-179.5	-66.6	-84.4	0	0	0	111.3	E72 P74 N195 W199 R200 L201	E72-H197 VanDerWaalsContact O-CG 3.25Å; E72-H197 PolarHBondContact O-ND1 2.87Å; E72-H197 IonicContact OE2-CE1 2.64Å; E72-H197 PolarHBondContact OE2-CE1 3.26Å; E72-H197 IonicContact OE2-ND1 3.58Å; E72-H197 IonicContact OE2-NE2 2.77Å; P74-H197 HydrophobicContact CB-CB 4.14Å; P74-H197 HydrophobicContact CG-CB 4.09Å; N195-H197 PolarHBondContact O-N 3.17Å; N195-H197 VanDerWaalsContact O-N 3.16Å; N195-H197 PolarHBondContact OD1-N 3.44Å; H197-W199 VanDerWaalsContact C-N 3.32Å; H197-W199 PolarHBondContact O-N 2.72Å; H197-R200 PolarHBondContact CE1-NH2 2.96Å; H197-R200 PolarHBondContact ND1-NH2 2.84Å; H197-R200 VanDerWaalsContact ND1-NH2 3.11Å; H197-R200 PolarHBondContact NE2-NH2 3.01Å; H197-R200 PolarHBondContact O-N 3.29Å; H197-L201 WeakPolarHBondContact O-CG 3.33Å; H197-L201 PolarHBondContact O-N 3.24Å; H197-L201 VanDerWaalsContact O-N 3.11Å
198	A	75.7	Confident	74.8	Confident	7 Å²	7	50 Å²	50	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-39.4	174.4	0	0	0	0	0	111.6	P74 L75 V76 L194 N195 L201 A202	P74-A198 HydrophobicContact CB-CB 4.15Å; L75-A198 VanDerWaalsContact O-CB 3.32Å; L75-A198 WeakPolarHBondContact O-CB 3.38Å; V76-A198 HydrophobicContact CG2-CB 4.17Å; L194-A198 HydrophobicContact CB-CB 4Å; L194-A198 HydrophobicContact CD2-CB 4.16Å; L194-A198 HydrophobicContact CG-CB 4.11Å; N195-A198 PolarHBondContact O-N 2.83Å; N195-A198 WeakPolarHBondContact OD1-CB 3.36Å; N195-A198 PolarHBondContact OD1-N 3.28Å; A198-L201 PolarHBondContact O-N 3.4Å; A198-A202 WeakPolarHBondContact O-CB 3.49Å; A198-A202 PolarHBondContact O-N 3.23Å
199	W	75.7	Confident	74.4	Confident	40 Å²	40	50.3 Å²	50.3	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-64.6	-40.5	177.7	-179.2	-118.7	0	0	0	112.4	Y158 L194 N195 H197 A202 Q203 P209	Y158-W199 AromaticContact CD1-NE1 3.83Å; Y158-W199 AromaticContact CG-NE1 3.64Å; L194-W199 HydrophobicContact CB-CB 4.32Å; L194-W199 HydrophobicContact CD2-CE3 4.28Å; N195-W199 VanDerWaalsContact O-CB 3.32Å; N195-W199 WeakPolarHBondContact O-CB 3.42Å; N195-W199 PolarHBondContact O-N 2.93Å; H197-W199 VanDerWaalsContact C-N 3.32Å; H197-W199 PolarHBondContact O-N 2.72Å; W199-A202 PolarHBondContact O-N 3.35Å; W199-Q203 HydrophobicContact CD2-CG 4.48Å; W199-Q203 HydrophobicContact CZ2-CG 4.18Å; W199-Q203 WeakPolarHBondContact O-CG 3.49Å; W199-Q203 PolarHBondContact O-N 3.34Å; W199-Q203 PolarHBondContact O-NE2 3.21Å; W199-P209 HydrophobicContact CH2-CG 3.61Å; W199-P209 HydrophobicContact CZ3-CB 4.32Å; W199-P209 HydrophobicContact CZ3-CG 3.57Å
200	R	75.2	Confident	73.9	Confident	137 Å²	137	53.9 Å²	53.9	52%	0.517	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-45	173.2	-79.6	-174.1	-72	-175.2	-5.4	111.4	D196 H197 A202 Q203 V204	D196-R200 WeakPolarHBondContact O-CB 3.27Å; D196-R200 VanDerWaalsContact O-CG 3.3Å; D196-R200 WeakPolarHBondContact O-CG 3.49Å; D196-R200 PolarHBondContact O-N 3.29Å; D196-R200 PolarHBondContact O-NE 3.03Å; H197-R200 PolarHBondContact CE1-NH2 2.96Å; H197-R200 PolarHBondContact ND1-NH2 2.84Å; H197-R200 VanDerWaalsContact ND1-NH2 3.11Å; H197-R200 PolarHBondContact NE2-NH2 3.01Å; H197-R200 PolarHBondContact O-N 3.29Å; R200-A202 VanDerWaalsContact C-N 3.3Å; R200-A202 PolarHBondContact O-N 3.09Å; R200-Q203 PolarHBondContact O-N 2.9Å; R200-Q203 VanDerWaalsContact O-N 3.17Å; R200-V204 WeakPolarHBondContact O-CG2 3.25Å; R200-V204 PolarHBondContact O-N 2.89Å
201	L	74	Confident	73.2	Confident	54 Å²	54	55.5 Å²	55.5	28%	0.283	29%	0.293	S	S	.	.	H	α-helix	trans	-60.4	-40.9	176.1	-67.7	178.4	0	0	0	112.2	P74 H197 A198 Q203 V204	P74-L201 HydrophobicContact CB-CD1 3.7Å; P74-L201 HydrophobicContact CG-CD1 3.47Å; P74-L201 VanDerWaalsContact CG-CD1 3.47Å; H197-L201 WeakPolarHBondContact O-CG 3.33Å; H197-L201 PolarHBondContact O-N 3.24Å; H197-L201 VanDerWaalsContact O-N 3.11Å; A198-L201 PolarHBondContact O-N 3.4Å; L201-Q203 PolarHBondContact O-N 3.2Å; L201-V204 PolarHBondContact O-N 2.88Å
202	A	71	Confident	73	Confident	6 Å²	6	56.4 Å²	56.4	5%	0.05	30%	0.299	C	S	.	.	H	α-helix	trans	-67.8	-17.2	179.4	0	0	0	0	0	114.2	L194 A198 W199 R200 V205 P209 S230	L194-A202 HydrophobicContact CD2-CB 4.01Å; A198-A202 WeakPolarHBondContact O-CB 3.49Å; A198-A202 PolarHBondContact O-N 3.23Å; W199-A202 PolarHBondContact O-N 3.35Å; R200-A202 VanDerWaalsContact C-N 3.3Å; R200-A202 PolarHBondContact O-N 3.09Å; A202-V205 WeakPolarHBondContact O-CG2 3.47Å; A202-P209 HydrophobicContact CB-CB 4.38Å; A202-S230 WeakPolarHBondContact CA-OG 3.44Å; A202-S230 PolarHBondContact O-OG 2.94Å
203	Q	71.4	Confident	73	Confident	95 Å²	95	56 Å²	56	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-96.5	-16.5	178.3	-74.8	172.3	91.8	0	0	114.1	W199 R200 L201 V205	W199-Q203 HydrophobicContact CD2-CG 4.48Å; W199-Q203 HydrophobicContact CZ2-CG 4.18Å; W199-Q203 WeakPolarHBondContact O-CG 3.49Å; W199-Q203 PolarHBondContact O-N 3.34Å; W199-Q203 PolarHBondContact O-NE2 3.21Å; R200-Q203 PolarHBondContact O-N 2.9Å; R200-Q203 VanDerWaalsContact O-N 3.17Å; L201-Q203 PolarHBondContact O-N 3.2Å; Q203-V205 PolarHBondContact O-N 2.78Å
204	V	66.1	Low	73.2	Confident	119 Å²	119	55.3 Å²	55.3	72%	0.721	30%	0.295	S	S	*	.	S	Bend	trans	-71.9	-6.2	-177.9	169.8	0	0	0	0	112	R200 L201	R200-V204 WeakPolarHBondContact O-CG2 3.25Å; R200-V204 PolarHBondContact O-N 2.89Å; L201-V204 PolarHBondContact O-N 2.88Å
205	V	64.9	Low	73.6	Confident	13 Å²	13	54.2 Å²	54.2	8%	0.079	30%	0.295	C	S	.	.	S	Bend	trans	-94.3	157	-178.1	-69.2	0	0	0	0	113.9	A202 Q203 D207 S230 Q231 I233	A202-V205 WeakPolarHBondContact O-CG2 3.47Å; Q203-V205 PolarHBondContact O-N 2.78Å; V205-D207 VanDerWaalsContact C-N 3.28Å; V205-D207 WeakPolarHBondContact CG2-O 3.25Å; V205-D207 PolarHBondContact O-N 2.92Å; V205-S230 WeakPolarHBondContact CG2-OG 3.39Å; V205-Q231 HydrophobicContact CB-CB 3.99Å; V205-Q231 WeakPolarHBondContact CB-O 3.4Å; V205-Q231 VanDerWaalsContact CG1-C 3.42Å; V205-Q231 HydrophobicContact CG1-CB 4.02Å; V205-Q231 WeakPolarHBondContact CG1-O 3.23Å; V205-Q231 HydrophobicContact CG2-CB 4.31Å; V205-Q231 VanDerWaalsContact CG2-O 3.25Å; V205-Q231 WeakPolarHBondContact CG2-O 3.12Å; V205-I233 HydrophobicContact CG1-CG1 4.24Å
206	P	65.5	Low	73.8	Confident	94 Å²	94	56.5 Å²	56.5	61%	0.61	30%	0.302	S	S	*	.	S	Bend	trans	-60.1	-39.1	-170.3	-23.9	33.9	0	0	0	113.2
207	D	70.2	Confident	74.3	Confident	89 Å²	89	60.6 Å²	60.6	48%	0.476	33%	0.325	S	S	.	.	S	Bend	trans	-93.9	134	178.5	-62.3	-35.6	0	0	0	110.1	V205	V205-D207 VanDerWaalsContact C-N 3.28Å; V205-D207 WeakPolarHBondContact CG2-O 3.25Å; V205-D207 PolarHBondContact O-N 2.92Å
208	P	68	Low	75	Confident	101 Å²	101	63 Å²	63	66%	0.656	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-61.2	147.2	175.2	26.8	-34.1	0	0	0	110.7	V210	P208-V210 PolarHBondContact O-N 3.46Å
209	P	69.9	Low	75.7	Confident	16 Å²	16	64.5 Å²	64.5	10%	0.104	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-61.4	129.7	178.4	24.5	-32.5	0	0	0	110.5	W199 A202 V228 R229	W199-P209 HydrophobicContact CH2-CG 3.61Å; W199-P209 HydrophobicContact CZ3-CB 4.32Å; W199-P209 HydrophobicContact CZ3-CG 3.57Å; A202-P209 HydrophobicContact CB-CB 4.38Å; P209-V228 HydrophobicContact CB-CG1 4.11Å; P209-R229 CarbonylContact C-O 3.56Å; P209-R229 VanDerWaalsContact CA-O 3.31Å; P209-R229 WeakPolarHBondContact CA-O 3.31Å
210	V	72.6	Confident	76.3	Confident	76 Å²	76	67.1 Å²	67.1	46%	0.461	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.1	178.1	-179.5	0	0	0	0	108.8	P208 D212 V228 R229	P208-V210 PolarHBondContact O-N 3.46Å; V210-D212 HydrophobicContact CG1-CB 4.38Å; V210-V228 WeakPolarHBondContact O-CA 3.46Å; V210-R229 HydrophobicContact CB-CB 4.49Å; V210-R229 PolarHBondContact N-O 2.81Å; V210-R229 PolarHBondContact O-N 3.41Å
211	Y	72	Confident	77	Confident	37 Å²	37	61.4 Å²	61.4	15%	0.145	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.6	173.9	-171.1	-120.6	0	0	0	110.5	F164 R191 V192 S226 H227 V228	F164-Y211 HydrophobicContact CB-CD1 4.49Å; F164-Y211 HydrophobicContact CB-CE1 4.45Å; F164-Y211 HydrophobicContact CD1-CE1 4.35Å; F164-Y211 HydrophobicContact CD2-CD1 4.16Å; F164-Y211 HydrophobicContact CG-CD1 4.14Å; F164-Y211 HydrophobicContact CG-CE1 4.14Å; R191-Y211 WeakPolarHBondContact CA-OH 3.3Å; R191-Y211 VanDerWaalsContact CD-OH 3.24Å; R191-Y211 WeakPolarHBondContact CD-OH 3.48Å; V192-Y211 HydrophobicContact CB-CE2 3.83Å; V192-Y211 HydrophobicContact CG2-CE2 4.04Å; V192-Y211 PolarHBondContact N-OH 2.81Å; V192-Y211 VanDerWaalsContact N-OH 3.13Å; Y211-S226 WeakPolarHBondContact OH-CB 3.38Å; Y211-H227 WeakPolarHBondContact CA-O 3.43Å; Y211-H227 VanDerWaalsContact CD2-O 3.22Å; Y211-H227 WeakPolarHBondContact CD2-O 3.46Å; Y211-V228 HydrophobicContact CD2-CB 4.43Å; Y211-V228 HydrophobicContact CD2-CG2 3.35Å; Y211-V228 HydrophobicContact CE2-CG2 3.83Å; Y211-V228 HydrophobicContact CG-CG2 4.39Å
212	D	76	Confident	77.6	Confident	34 Å²	34	60.9 Å²	60.9	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	176.6	-173.7	-147.3	-5.5	0	0	0	114.8	F164 V210 K216 S226 H227	F164-D212 VanDerWaalsContact CE2-CA 3.48Å; F164-D212 HydrophobicContact CE2-CB 4.35Å; F164-D212 WeakPolarHBondContact CE2-OD1 3.38Å; F164-D212 VanDerWaalsContact CZ-OD1 3.29Å; F164-D212 WeakPolarHBondContact CZ-OD1 2.91Å; V210-D212 HydrophobicContact CG1-CB 4.38Å; D212-K216 VanDerWaalsContact CG-CE 3.4Å; D212-K216 WeakPolarHBondContact OD1-CE 3.31Å; D212-K216 IonicContact OD1-NZ 3.2Å; D212-K216 PolarHBondContact OD1-NZ 2.84Å; D212-K216 WeakPolarHBondContact OD2-CE 3.4Å; D212-K216 IonicContact OD2-NZ 3.57Å; D212-K216 PolarHBondContact OD2-NZ 2.77Å; D212-S226 CarbonylContact O-C 3.33Å; D212-S226 VanDerWaalsContact O-CA 3.26Å; D212-S226 WeakPolarHBondContact O-CA 3.38Å; D212-H227 PolarHBondContact N-O 3.21Å; D212-H227 PolarHBondContact O-CD2 3.37Å; D212-H227 VanDerWaalsContact O-CD2 3.31Å; D212-H227 PolarHBondContact O-N 3.22Å
213	I	80.5	Confident	78.4	Confident	9 Å²	9	62.8 Å²	62.8	5%	0.046	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.1	172.5	-83	159	0	0	0	110.1	F164 F170 K216 K224 V225	F164-I213 HydrophobicContact CD1-CD1 4.47Å; F164-I213 HydrophobicContact CE1-CB 4.3Å; F164-I213 HydrophobicContact CE1-CD1 3.33Å; F164-I213 HydrophobicContact CE1-CG1 3.38Å; F164-I213 HydrophobicContact CZ-CB 3.98Å; F164-I213 HydrophobicContact CZ-CD1 3.73Å; F164-I213 HydrophobicContact CZ-CG1 3.57Å; F164-I213 VanDerWaalsContact CZ-N 3.31Å; F170-I213 HydrophobicContact CE2-CD1 4.42Å; F170-I213 HydrophobicContact CZ-CD1 4.22Å; I213-K216 HydrophobicContact CB-CG 4.34Å; I213-K216 HydrophobicContact CG2-CG 4.32Å; I213-K224 HydrophobicContact CG2-CB 3.38Å; I213-K224 HydrophobicContact CG2-CD 3.79Å; I213-K224 HydrophobicContact CG2-CG 4.24Å; I213-V225 WeakPolarHBondContact CA-O 3.36Å
214	I	83.1	Confident	79.1	Confident	49 Å²	49	58.3 Å²	58.3	25%	0.251	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	135.1	169.2	-57.8	-176.4	0	0	0	109.6	M220 V225 H227 T252	I214-M220 HydrophobicContact CG2-CE 4.36Å; I214-M220 HydrophobicContact CG2-SD 4.2Å; I214-V225 HydrophobicContact CB-CB 4.4Å; I214-V225 HydrophobicContact CD1-CB 4.24Å; I214-V225 HydrophobicContact CD1-CG1 3.97Å; I214-V225 HydrophobicContact CG1-CB 4.44Å; I214-V225 HydrophobicContact CG1-CG1 4.49Å; I214-V225 PolarHBondContact N-O 3.04Å; I214-H227 HydrophobicContact CD1-CB 4.08Å; I214-H227 HydrophobicContact CG1-CB 3.95Å; I214-H227 WeakPolarHBondContact CG1-CD2 3.26Å; I214-T252 HydrophobicContact CD1-CG2 4.3Å
215	G	85	Confident	79.8	Confident	22 Å²	22	53.5 Å²	53.5	23%	0.227	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	39.1	172.4	0	0	0	0	0	113.6	D217 T218 K224	G215-D217 PolarHBondContact O-N 2.64Å; G215-D217 VanDerWaalsContact O-N 3.12Å; G215-T218 PolarHBondContact O-N 3.12Å; G215-K224 PolarHBondContact O-NZ 3.01Å
216	K	81.6	Confident	80.4	Confident	92 Å²	92	53.2 Å²	53.2	40%	0.4	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-45.2	174.8	-78.4	-179.8	163.4	170	0	113.4	D212 I213 K224	D212-K216 VanDerWaalsContact CG-CE 3.4Å; D212-K216 WeakPolarHBondContact OD1-CE 3.31Å; D212-K216 IonicContact OD1-NZ 3.2Å; D212-K216 PolarHBondContact OD1-NZ 2.84Å; D212-K216 WeakPolarHBondContact OD2-CE 3.4Å; D212-K216 IonicContact OD2-NZ 3.57Å; D212-K216 PolarHBondContact OD2-NZ 2.77Å; I213-K216 HydrophobicContact CB-CG 4.34Å; I213-K216 HydrophobicContact CG2-CG 4.32Å; K216-K224 PolarHBondContact O-NZ 2.91Å
217	D	86	Confident	80.8	Confident	150 Å²	150	50.4 Å²	50.4	80%	0.802	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	14.1	-176.3	-48.5	-53.5	0	0	0	112.8	A177 G215	A177-D217 VanDerWaalsContact CB-C 3.46Å; G215-D217 PolarHBondContact O-N 2.64Å; G215-D217 VanDerWaalsContact O-N 3.12Å
218	T	89.9	Confident	80.6	Confident	83 Å²	83	46.6 Å²	46.6	51%	0.509	26%	0.262	S	S	.	.	S	Bend	trans	-121.5	135.7	178.7	-51.7	0	0	0	0	110.2	A177 G215 M220 K224	A177-T218 VanDerWaalsContact CB-C 3.41Å; G215-T218 PolarHBondContact O-N 3.12Å; T218-M220 HydrophobicContact CG2-CG 4.26Å; T218-M220 PolarHBondContact O-N 3.13Å; T218-K224 WeakPolarHBondContact O-CE 3.49Å; T218-K224 PolarHBondContact O-NZ 2.74Å
219	C	90.6	Very high	80.5	Confident	38 Å²	38	46.6 Å²	46.6	26%	0.257	25%	0.249	S	C	.	.			trans	-70.6	118.1	171.2	-178.8	0	0	0	0	108.8
220	M	88.6	Confident	80.2	Confident	95 Å²	95	46.3 Å²	46.3	47%	0.468	25%	0.247	S	C	.	.			trans	-126	15.4	-177.5	-64.1	-171	69.9	0	0	112.4	I214 T218	I214-M220 HydrophobicContact CG2-CE 4.36Å; I214-M220 HydrophobicContact CG2-SD 4.2Å; T218-M220 HydrophobicContact CG2-CG 4.26Å; T218-M220 PolarHBondContact O-N 3.13Å
221	G	89.7	Confident	79.5	Confident	17 Å²	17	43.1 Å²	43.1	18%	0.175	23%	0.228	C	C	.	.			trans	97.6	-172.9	-166.3	0	0	0	0	0	112.1	H223	G221-H223 VanDerWaalsContact C-N 3.33Å
222	D	86.3	Confident	78.5	Confident	43 Å²	43	43.2 Å²	43.2	23%	0.23	23%	0.23	C	C	.	.	S	Bend	trans	-75.2	-22.5	179.5	66.3	-17.6	0	0	0	113.3	Y168 P169 F170 E172 M181	Y168-D222 HydrophobicContact CE2-CB 4.3Å; Y168-D222 VanDerWaalsContact CE2-OD2 3.24Å; Y168-D222 WeakPolarHBondContact CE2-OD2 3.46Å; P169-D222 CarbonylContact C-O 3.52Å; P169-D222 VanDerWaalsContact CA-O 3.3Å; P169-D222 WeakPolarHBondContact CA-O 3.43Å; P169-D222 HydrophobicContact CB-CB 4.32Å; F170-D222 PolarHBondContact N-O 3.1Å; F170-D222 VanDerWaalsContact O-CA 3.29Å; F170-D222 WeakPolarHBondContact O-CA 3.19Å; F170-D222 WeakPolarHBondContact O-CB 3.15Å; E172-D222 HydrophobicContact CG-CB 4.25Å; M181-D222 HydrophobicContact SD-CB 4Å
223	H	89.3	Confident	77.2	Confident	47 Å²	47	46.8 Å²	46.8	22%	0.218	25%	0.248	C	C	.	.			trans	-98.2	136.6	170.5	-79.3	-99	0	0	0	111.6	D80 Y168 D190 G221	D80-H223 IonicContact OD1-CE1 3.65Å; D80-H223 IonicContact OD2-CE1 2.59Å; D80-H223 PolarHBondContact OD2-CE1 2.86Å; Y168-H223 AromaticContact CD2-CD2 3.3Å; Y168-H223 WeakPolarHBondContact CD2-CD2 3.35Å; Y168-H223 AromaticContact CD2-CE1 3.45Å; Y168-H223 VanDerWaalsContact CD2-CE1 3.45Å; Y168-H223 WeakPolarHBondContact CD2-CE1 3.49Å; Y168-H223 AromaticContact CD2-CG 3.7Å; Y168-H223 AromaticContact CD2-ND1 3.76Å; Y168-H223 AromaticContact CD2-NE2 3.11Å; Y168-H223 WeakPolarHBondContact CD2-NE2 3.4Å; Y168-H223 AromaticContact CE2-CD2 3.51Å; Y168-H223 AromaticContact CE2-CE1 3.94Å; Y168-H223 AromaticContact CE2-NE2 3.19Å; Y168-H223 WeakPolarHBondContact CE2-NE2 3.36Å; D190-H223 IonicContact OD2-CE1 2.63Å; D190-H223 IonicContact OD2-CG 3.36Å; D190-H223 IonicContact OD2-ND1 3.46Å; D190-H223 PolarHBondContact OD2-ND1 3.01Å; G221-H223 VanDerWaalsContact C-N 3.33Å
224	K	84.9	Confident	75.7	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	28%	0.275	C	S	.	.			trans	-121	132.9	164.9	-61.3	-172.9	-171.9	-160.9	0	111.9	S167 F170 A177 I213 G215 K216 T218 S226	S167-K224 WeakPolarHBondContact CB-O 3.33Å; S167-K224 PolarHBondContact O-N 2.75Å; F170-K224 HydrophobicContact CD1-CD 4.32Å; F170-K224 HydrophobicContact CD2-CB 4.01Å; F170-K224 HydrophobicContact CD2-CD 3.74Å; F170-K224 HydrophobicContact CD2-CG 3.48Å; F170-K224 VanDerWaalsContact CD2-CG 3.48Å; F170-K224 HydrophobicContact CE1-CD 4.29Å; F170-K224 HydrophobicContact CE2-CB 3.76Å; F170-K224 HydrophobicContact CE2-CD 3.68Å; F170-K224 HydrophobicContact CE2-CG 3.65Å; F170-K224 HydrophobicContact CG-CD 4.05Å; F170-K224 HydrophobicContact CG-CG 4.12Å; F170-K224 HydrophobicContact CZ-CD 3.98Å; F170-K224 HydrophobicContact CZ-CG 4.44Å; A177-K224 VanDerWaalsContact O-CE 3.23Å; A177-K224 WeakPolarHBondContact O-CE 3.17Å; A177-K224 PolarHBondContact O-NZ 3.18Å; I213-K224 HydrophobicContact CG2-CB 3.38Å; I213-K224 HydrophobicContact CG2-CD 3.79Å; I213-K224 HydrophobicContact CG2-CG 4.24Å; G215-K224 PolarHBondContact O-NZ 3.01Å; K216-K224 PolarHBondContact O-NZ 2.91Å; T218-K224 WeakPolarHBondContact O-CE 3.49Å; T218-K224 PolarHBondContact O-NZ 2.74Å; K224-S226 PolarHBondContact O-N 3.03Å
225	V	81.3	Confident	73.6	Confident	18 Å²	18	50.5 Å²	50.5	11%	0.109	29%	0.286	C	S	.	.			trans	-70.3	126.2	-172.5	177.5	0	0	0	0	110.7	I213 I214 K253	I213-V225 WeakPolarHBondContact CA-O 3.36Å; I214-V225 HydrophobicContact CB-CB 4.4Å; I214-V225 HydrophobicContact CD1-CB 4.24Å; I214-V225 HydrophobicContact CD1-CG1 3.97Å; I214-V225 HydrophobicContact CG1-CB 4.44Å; I214-V225 HydrophobicContact CG1-CG1 4.49Å; I214-V225 PolarHBondContact N-O 3.04Å; V225-K253 HydrophobicContact CB-CD 4.18Å; V225-K253 HydrophobicContact CG1-CB 3.73Å; V225-K253 HydrophobicContact CG1-CD 3.62Å; V225-K253 HydrophobicContact CG1-CG 4.31Å; V225-K253 HydrophobicContact CG2-CD 3.43Å; V225-K253 VanDerWaalsContact CG2-CD 3.43Å
226	S	77.9	Confident	71.3	Confident	7 Å²	7	55.6 Å²	55.6	5%	0.049	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	143.4	165.9	-59.7	0	0	0	0	111.2	D190 V192 Y211 D212 K224	D190-S226 PolarHBondContact O-OG 3.32Å; D190-S226 VanDerWaalsContact O-OG 3.1Å; V192-S226 WeakPolarHBondContact CG2-O 3.39Å; Y211-S226 WeakPolarHBondContact OH-CB 3.38Å; D212-S226 CarbonylContact O-C 3.33Å; D212-S226 VanDerWaalsContact O-CA 3.26Å; D212-S226 WeakPolarHBondContact O-CA 3.38Å; K224-S226 PolarHBondContact O-N 3.03Å
227	H	73.6	Confident	69.3	Low	35 Å²	35	55.5 Å²	55.5	16%	0.162	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148	176.8	73.9	85.8	0	0	0	111	Y211 D212 I214	Y211-H227 WeakPolarHBondContact CA-O 3.43Å; Y211-H227 VanDerWaalsContact CD2-O 3.22Å; Y211-H227 WeakPolarHBondContact CD2-O 3.46Å; D212-H227 PolarHBondContact N-O 3.21Å; D212-H227 PolarHBondContact O-CD2 3.37Å; D212-H227 VanDerWaalsContact O-CD2 3.31Å; D212-H227 PolarHBondContact O-N 3.22Å; I214-H227 HydrophobicContact CD1-CB 4.08Å; I214-H227 HydrophobicContact CG1-CB 3.95Å; I214-H227 WeakPolarHBondContact CG1-CD2 3.26Å
228	V	66.1	Low	66.9	Low	9 Å²	9	56.8 Å²	56.8	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.7	163	177.9	0	0	0	0	106.5	V192 L194 P209 V210 Y211	V192-V228 HydrophobicContact CB-CG2 3.91Å; V192-V228 HydrophobicContact CG1-CB 4.49Å; V192-V228 HydrophobicContact CG1-CG2 3.79Å; L194-V228 HydrophobicContact CD1-CG2 3.88Å; P209-V228 HydrophobicContact CB-CG1 4.11Å; V210-V228 WeakPolarHBondContact O-CA 3.46Å; Y211-V228 HydrophobicContact CD2-CB 4.43Å; Y211-V228 HydrophobicContact CD2-CG2 3.35Å; Y211-V228 HydrophobicContact CE2-CG2 3.83Å; Y211-V228 HydrophobicContact CG-CG2 4.39Å
229	R	66.5	Low	64.1	Low	100 Å²	100	57.1 Å²	57.1	38%	0.377	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120	170.2	178.6	-179.2	166.8	159.4	-2.3	108.3	P209 V210 Y250	P209-R229 CarbonylContact C-O 3.56Å; P209-R229 VanDerWaalsContact CA-O 3.31Å; P209-R229 WeakPolarHBondContact CA-O 3.31Å; V210-R229 HydrophobicContact CB-CB 4.49Å; V210-R229 PolarHBondContact N-O 2.81Å; V210-R229 PolarHBondContact O-N 3.41Å; R229-Y250 HydrophobicContact CG-CE1 4.37Å
230	S	62.9	Low	61.3	Low	10 Å²	10	61.3 Å²	61.3	7%	0.07	34%	0.34	C	S	.	.			trans	-138.2	145.6	168.8	-178.9	0	0	0	0	107.1	A202 V205	A202-S230 WeakPolarHBondContact CA-OG 3.44Å; A202-S230 PolarHBondContact O-OG 2.94Å; V205-S230 WeakPolarHBondContact CG2-OG 3.39Å
231	Q	57.9	Low	58.6	Low	10 Å²	10	62.6 Å²	62.6	5%	0.047	35%	0.353	C	S	.	.			trans	-73.7	149.4	164.8	-55.9	-164.9	-9.5	0	0	107.1	V205 Q246 V248	V205-Q231 HydrophobicContact CB-CB 3.99Å; V205-Q231 WeakPolarHBondContact CB-O 3.4Å; V205-Q231 VanDerWaalsContact CG1-C 3.42Å; V205-Q231 HydrophobicContact CG1-CB 4.02Å; V205-Q231 WeakPolarHBondContact CG1-O 3.23Å; V205-Q231 HydrophobicContact CG2-CB 4.31Å; V205-Q231 VanDerWaalsContact CG2-O 3.25Å; V205-Q231 WeakPolarHBondContact CG2-O 3.12Å; Q231-Q246 VanDerWaalsContact OE1-CD 3.27Å; Q231-V248 HydrophobicContact CG-CG2 4.37Å
232	I	51.7	Low	56	Low	39 Å²	39	67 Å²	67	20%	0.2	38%	0.377	C	S	.	.			trans	-130.2	111.5	169.7	-57.8	178.2	0	0	0	106	C234 L247 C249	I232-C234 PolarHBondContact O-N 3.03Å; I232-L247 PolarHBondContact N-O 3.49Å; I232-C249 HydrophobicContact CB-CB 4.41Å; I232-C249 HydrophobicContact CD1-CB 4.07Å; I232-C249 HydrophobicContact CG1-CB 4.27Å
233	I	48.5	Very low	53.7	Low	108 Å²	108	74 Å²	74	55%	0.554	41%	0.408	S	S	*	.			trans	-78.7	94.4	177.6	-56.2	175	0	0	0	107.6	V205 G235	V205-I233 HydrophobicContact CG1-CG1 4.24Å; I233-G235 PolarHBondContact O-N 2.87Å
234	C	47.4	Very low	51.3	Low	89 Å²	89	78.4 Å²	78.4	60%	0.601	43%	0.433	S	S	*	.			trans	-81	105.2	165.5	-86.7	0	0	0	0	108.8	I232 H236	I232-C234 PolarHBondContact O-N 3.03Å; C234-H236 PolarHBondContact O-N 3.46Å
235	G	40.6	Very low	48.8	Very low	47 Å²	47	80.9 Å²	80.9	49%	0.485	46%	0.459	S	S	.	.			trans	-68.5	109.3	171.4	0	0	0	0	0	110.5	V3 I233	V3-G235 WeakPolarHBondContact CG1-O 3.4Å; I233-G235 PolarHBondContact O-N 2.87Å
236	H	35.4	Very low	46.5	Very low	129 Å²	129	85.4 Å²	85.4	60%	0.597	48%	0.479	S	S	*	.			trans	-77.8	134.6	160	-121.6	-68.7	0	0	0	108.3	C234 E238 T239	C234-H236 PolarHBondContact O-N 3.46Å; H236-E238 PolarHBondContact O-N 2.97Å; H236-T239 WeakPolarHBondContact CB-OG1 3.4Å
237	P	39.3	Very low	44.4	Very low	91 Å²	91	90.5 Å²	90.5	59%	0.591	51%	0.505	S	S	*	.	S	Bend	trans	-68.3	-17	-179.8	19.7	-27	0	0	0	114.6	V3	V3-P237 HydrophobicContact CG2-CB 4.06Å; V3-P237 HydrophobicContact CG2-CG 4.29Å
238	E	36.1	Very low	42.4	Very low	176 Å²	176	90.8 Å²	90.8	82%	0.822	51%	0.509	S	S	*	.	S	Bend	trans	-124.7	3.2	-175	-64.8	-169.5	-178.8	0	0	115.1	H236 T240	H236-E238 PolarHBondContact O-N 2.97Å; E238-T240 PolarHBondContact O-N 2.81Å; E238-T240 VanDerWaalsContact O-N 3.15Å
239	T	32.1	Very low	41	Very low	91 Å²	91	92.3 Å²	92.3	56%	0.558	52%	0.519	S	S	*	.			trans	-84	101.7	175.1	-42.6	0	0	0	0	109	H236 V241	H236-T239 WeakPolarHBondContact CB-OG1 3.4Å; T239-V241 PolarHBondContact O-N 3.36Å; T239-V241 VanDerWaalsContact O-N 3.11Å
240	T	30.6	Very low	39.4	Very low	126 Å²	126	93.1 Å²	93.1	77%	0.773	52%	0.523	S	S	*	.			trans	-47.8	117.2	163.3	-37.5	0	0	0	0	107.9	E238 T242	E238-T240 PolarHBondContact O-N 2.81Å; E238-T240 VanDerWaalsContact O-N 3.15Å; T240-T242 PolarHBondContact O-N 2.88Å
241	V	33	Very low	38.3	Very low	122 Å²	122	94.4 Å²	94.4	74%	0.739	53%	0.529	S	S	*	.			trans	-55.9	105	-178.7	177.9	0	0	0	0	108.7	T239	T239-V241 PolarHBondContact O-N 3.36Å; T239-V241 VanDerWaalsContact O-N 3.11Å
242	T	35.3	Very low	37.2	Very low	109 Å²	109	97.9 Å²	97.9	67%	0.669	55%	0.551	S	S	*	*			trans	-66.1	140.8	153.8	49.6	0	0	0	0	107	T240 D244 G245	T240-T242 PolarHBondContact O-N 2.88Å; T242-D244 PolarHBondContact O-N 3.39Å; T242-G245 PolarHBondContact O-N 3.42Å
243	Q	38.1	Very low	36.4	Very low	190 Å²	190	99.2 Å²	99.2	89%	0.888	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.1	-17.1	-164.9	-85.8	-179.8	-15.9	0	0	116.1
244	D	37.4	Very low	35.4	Very low	140 Å²	140	98.3 Å²	98.3	75%	0.749	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	32.2	-179.1	-53.1	-33.5	0	0	0	113.3	T242 Q246	T242-D244 PolarHBondContact O-N 3.39Å; D244-Q246 PolarHBondContact O-N 2.66Å
245	G	32.7	Very low	34.2	Very low	52 Å²	52	99.3 Å²	99.3	54%	0.536	56%	0.562	S	S	.	*			trans	-53.7	52.7	-173	0	0	0	0	0	118.6	T242	T242-G245 PolarHBondContact O-N 3.42Å
246	Q	32.9	Very low	33.3	Very low	113 Å²	113	106.3 Å²	106.3	53%	0.528	58%	0.58	S	S	.	*			trans	-110.4	104.3	-176.3	-66.7	-173.8	-9.8	0	0	109.3	Q231 D244 V248	Q231-Q246 VanDerWaalsContact OE1-CD 3.27Å; D244-Q246 PolarHBondContact O-N 2.66Å; Q246-V248 HydrophobicContact CB-CG2 4.41Å; Q246-V248 PolarHBondContact O-N 2.89Å
247	L	33.6	Very low	32.7	Very low	115 Å²	115	105.4 Å²	105.4	60%	0.602	58%	0.583	S	S	*	*			trans	-78	98.7	161.5	-151.2	87.4	0	0	0	107.4	I232 C249	I232-L247 PolarHBondContact N-O 3.49Å; L247-C249 PolarHBondContact O-N 2.79Å; L247-C249 VanDerWaalsContact O-N 3.1Å
248	V	33.1	Very low	31.9	Very low	41 Å²	41	105.7 Å²	105.7	25%	0.248	59%	0.587	C	S	.	*			trans	-79.4	92.1	172.8	-173.3	0	0	0	0	107.5	Q231 Q246 Y250	Q231-V248 HydrophobicContact CG-CG2 4.37Å; Q246-V248 HydrophobicContact CB-CG2 4.41Å; Q246-V248 PolarHBondContact O-N 2.89Å; V248-Y250 HydrophobicContact CB-CD2 4.46Å; V248-Y250 HydrophobicContact CB-CE2 3.95Å; V248-Y250 HydrophobicContact CG1-CD2 3.95Å; V248-Y250 HydrophobicContact CG1-CE1 4.18Å; V248-Y250 HydrophobicContact CG1-CE2 3.47Å; V248-Y250 VanDerWaalsContact CG1-CE2 3.47Å; V248-Y250 HydrophobicContact CG1-CG 4.47Å; V248-Y250 WeakPolarHBondContact O-CD2 3.38Å; V248-Y250 PolarHBondContact O-N 2.96Å
249	C	35.8	Very low	31.2	Very low	40 Å²	40	105.4 Å²	105.4	27%	0.27	59%	0.591	S	S	.	*			trans	-75.9	94.4	174.3	-153.2	0	0	0	0	108.2	I232 L247 L251	I232-C249 HydrophobicContact CB-CB 4.41Å; I232-C249 HydrophobicContact CD1-CB 4.07Å; I232-C249 HydrophobicContact CG1-CB 4.27Å; L247-C249 PolarHBondContact O-N 2.79Å; L247-C249 VanDerWaalsContact O-N 3.1Å; C249-L251 PolarHBondContact O-N 2.84Å
250	Y	33.6	Very low	30.8	Very low	118 Å²	118	104.3 Å²	104.3	46%	0.463	59%	0.591	S	S	.	*	B	Isolated β-bridge	trans	-67.3	116.8	166	-64.6	-89.1	0	0	0	107.1	R229 V248 T252	R229-Y250 HydrophobicContact CG-CE1 4.37Å; V248-Y250 HydrophobicContact CB-CD2 4.46Å; V248-Y250 HydrophobicContact CB-CE2 3.95Å; V248-Y250 HydrophobicContact CG1-CD2 3.95Å; V248-Y250 HydrophobicContact CG1-CE1 4.18Å; V248-Y250 HydrophobicContact CG1-CE2 3.47Å; V248-Y250 VanDerWaalsContact CG1-CE2 3.47Å; V248-Y250 HydrophobicContact CG1-CG 4.47Å; V248-Y250 WeakPolarHBondContact O-CD2 3.38Å; V248-Y250 PolarHBondContact O-N 2.96Å; Y250-T252 WeakPolarHBondContact CB-OG1 3.37Å; Y250-T252 PolarHBondContact O-N 2.78Å; Y250-T252 PolarHBondContact O-OG1 3.39Å
251	L	38.7	Very low	30.6	Very low	37 Å²	37	106.5 Å²	106.5	19%	0.194	60%	0.598	C	S	.	*			trans	-72.4	61.9	157.3	-69.4	165.7	0	0	0	107.4	F8 L10 V76 C249	F8-L251 HydrophobicContact CE2-CD2 4.45Å; L10-L251 HydrophobicContact CD1-CD2 4.17Å; L10-L251 HydrophobicContact CD2-CD2 3.52Å; V76-L251 HydrophobicContact CG1-CD1 4.13Å; V76-L251 HydrophobicContact CG2-CD1 4.09Å; C249-L251 PolarHBondContact O-N 2.84Å
252	T	35.6	Very low	30.3	Very low	82 Å²	82	115.8 Å²	115.8	50%	0.503	62%	0.619	S	S	.	*			trans	-75.5	124.7	168.6	23.4	0	0	0	0	106	I214 Y250 A254	I214-T252 HydrophobicContact CD1-CG2 4.3Å; Y250-T252 WeakPolarHBondContact CB-OG1 3.37Å; Y250-T252 PolarHBondContact O-N 2.78Å; Y250-T252 PolarHBondContact O-OG1 3.39Å; T252-A254 PolarHBondContact O-N 2.9Å
253	K	34.4	Very low	30.1	Very low	67 Å²	67	116.1 Å²	116.1	29%	0.291	62%	0.617	S	S	.	*			trans	-39.3	110.7	167.9	-170.3	175	-174.1	171.1	0	106.9	F78 D190 V225 I255	F78-K253 HydrophobicContact CE2-CG 4.46Å; D190-K253 IonicContact OD1-NZ 2.94Å; D190-K253 PolarHBondContact OD1-NZ 3.22Å; V225-K253 HydrophobicContact CB-CD 4.18Å; V225-K253 HydrophobicContact CG1-CB 3.73Å; V225-K253 HydrophobicContact CG1-CD 3.62Å; V225-K253 HydrophobicContact CG1-CG 4.31Å; V225-K253 HydrophobicContact CG2-CD 3.43Å; V225-K253 VanDerWaalsContact CG2-CD 3.43Å; K253-I255 HydrophobicContact CB-CG1 4.3Å; K253-I255 HydrophobicContact CD-CD1 4.2Å; K253-I255 HydrophobicContact CD-CG1 4.13Å; K253-I255 HydrophobicContact CG-CD1 4.42Å; K253-I255 HydrophobicContact CG-CG1 3.85Å; K253-I255 PolarHBondContact O-N 2.84Å
254	A	27.1	Very low	29.7	Very low	89 Å²	89	112.2 Å²	112.2	74%	0.736	60%	0.602	S	S	*	*			trans	-69.3	73.9	177	0	0	0	0	0	107.3	T252 K256	T252-A254 PolarHBondContact O-N 2.9Å; A254-K256 PolarHBondContact O-N 3.13Å
255	I	23.7	Very low	29.2	Very low	111 Å²	111	110.7 Å²	110.7	57%	0.569	59%	0.594	S	S	*	*			trans	-73	73.7	162.5	-53.1	178.1	0	0	0	104.7	K253 T257	K253-I255 HydrophobicContact CB-CG1 4.3Å; K253-I255 HydrophobicContact CD-CD1 4.2Å; K253-I255 HydrophobicContact CD-CG1 4.13Å; K253-I255 HydrophobicContact CG-CD1 4.42Å; K253-I255 HydrophobicContact CG-CG1 3.85Å; K253-I255 PolarHBondContact O-N 2.84Å; I255-T257 HydrophobicContact CG2-CG2 3.95Å; I255-T257 PolarHBondContact O-N 3.27Å
256	K	21.8	Very low	29	Very low	194 Å²	194	114.1 Å²	114.1	84%	0.843	60%	0.598	S	S	*	*			trans	-73	99.7	141.9	-96.2	-175.7	176.9	178.4	0	104	A254 S258	A254-K256 PolarHBondContact O-N 3.13Å; K256-S258 PolarHBondContact O-N 3.31Å
257	T	22	Very low	28.8	Very low	110 Å²	110	114.2 Å²	114.2	68%	0.675	60%	0.602	S	S	*	*			trans	-49.5	92.6	151.9	37.8	0	0	0	0	106.7	I255 N259	I255-T257 HydrophobicContact CG2-CG2 3.95Å; I255-T257 PolarHBondContact O-N 3.27Å; T257-N259 VanDerWaalsContact C-N 3.3Å; T257-N259 PolarHBondContact O-N 3.26Å
258	S	22.6	Very low	28.5	Very low	96 Å²	96	114.1 Å²	114.1	67%	0.671	60%	0.602	S	S	*	*			trans	-68.2	102.7	165.1	57.3	0	0	0	0	105.2	K256 A260	K256-S258 PolarHBondContact O-N 3.31Å; S258-A260 PolarHBondContact O-N 2.78Å
259	N	21.9	Very low	28.1	Very low	171 Å²	171	119.4 Å²	119.4	91%	0.914	63%	0.627	S	S	*	*			trans	-59.7	69.1	156.3	-79.6	-33.2	0	0	0	108.5	T257	T257-N259 VanDerWaalsContact C-N 3.3Å; T257-N259 PolarHBondContact O-N 3.26Å
260	A	22.8	Very low	27.5	Very low	67 Å²	67	125.5 Å²	125.5	55%	0.554	66%	0.655	S	S	*	*			trans	-138.7	75.7	-178.3	0	0	0	0	0	107.3	S258	S258-A260 PolarHBondContact O-N 2.78Å
261	L	27.2	Very low	27	Very low	173 Å²	173	126.1 Å²	126.1	91%	0.906	67%	0.671	S	S	*	*				172.9	99.5	129	-86.4	159.9	0	0	0	107
262	R	26.7	Very low	26	Very low	316 Å²	316	134.2 Å²	134.2	100%	1.192	71%	0.714	S	S	*	*			trans	-64	0	148.8	-75.1	-177.9	174.9	-166.1	-1.1	109.1

Retrieved 262 of 262 residues in 259.2 ms (Link to these results)

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