A0A077ZQM7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZQM7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 207 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	32.5	Very low	29.4	Very low	245 Å²	245	139.2 Å²	139.2	100%	1.207	67%	0.665	S	S	*	*				0	103.3	0	-70.1	166.2	111.8	0	0	108.2	R3	M1-R3 PolarHBondContact O-N 2.78Å
2	K	26.2	Very low	29.8	Very low	209 Å²	209	130.4 Å²	130.4	91%	0.909	62%	0.624	S	S	*	*			trans	-82.6	110.7	177.6	-79.8	-179.7	174.7	178.7	0	108.2	Q4	K2-Q4 PolarHBondContact O-N 2.66Å; K2-Q4 VanDerWaalsContact O-N 3.15Å
3	R	29.6	Very low	30.6	Very low	248 Å²	248	122 Å²	122	94%	0.936	58%	0.584	S	S	*	*			trans	-68.5	104	158.7	-65.9	-173.6	-166.3	-172.7	3.8	105.6	M1 G5	M1-R3 PolarHBondContact O-N 2.78Å; R3-G5 PolarHBondContact O-N 3.08Å; R3-G5 VanDerWaalsContact O-N 3.1Å
4	Q	29.2	Very low	30.8	Very low	192 Å²	192	116.1 Å²	116.1	90%	0.897	56%	0.562	S	S	*	*			trans	-58.7	113.3	163.6	-97	171.2	-21.6	0	0	105.9	K2	K2-Q4 PolarHBondContact O-N 2.66Å; K2-Q4 VanDerWaalsContact O-N 3.15Å
5	G	27.3	Very low	30.9	Very low	63 Å²	63	108.7 Å²	108.7	65%	0.649	53%	0.528	S	S	*	.			trans	-58	136	-172.8	0	0	0	0	0	111.2	R3 R7	R3-G5 PolarHBondContact O-N 3.08Å; R3-G5 VanDerWaalsContact O-N 3.1Å; G5-R7 PolarHBondContact O-N 2.83Å; G5-R7 VanDerWaalsContact O-N 3.07Å
6	E	26.5	Very low	31.3	Very low	178 Å²	178	112.3 Å²	112.3	83%	0.832	54%	0.543	S	S	*	.			trans	-41.5	111.1	162.9	-63.2	162.9	157.6	0	0	108.8	C8	E6-C8 VanDerWaalsContact C-N 3.3Å; E6-C8 PolarHBondContact O-N 2.98Å; E6-C8 VanDerWaalsContact O-N 3.09Å
7	R	25.9	Very low	31.6	Very low	241 Å²	241	113.4 Å²	113.4	91%	0.909	55%	0.552	S	S	*	*			trans	-78.4	88.6	167.5	-77.2	-172.3	-171.2	-178.8	2.5	107.1	G5	G5-R7 PolarHBondContact O-N 2.83Å; G5-R7 VanDerWaalsContact O-N 3.07Å
8	C	27.4	Very low	32.1	Very low	77 Å²	77	107.4 Å²	107.4	52%	0.52	52%	0.523	S	S	.	.			trans	-84.9	111.3	171.2	-63.7	0	0	0	0	109.3	E6	E6-C8 VanDerWaalsContact C-N 3.3Å; E6-C8 PolarHBondContact O-N 2.98Å; E6-C8 VanDerWaalsContact O-N 3.09Å
9	I	29	Very low	32.3	Very low	58 Å²	58	103.3 Å²	103.3	30%	0.297	51%	0.507	S	S	.	.			trans	-116.3	91.3	169.4	-57.1	175.2	0	0	0	107.6	M124 G207	I9-M124 VanDerWaalsContact O-CE 3.28Å; I9-M124 WeakPolarHBondContact O-CE 3.5Å; I9-G207 VanDerWaalsContact CD1-O 3.27Å; I9-G207 WeakPolarHBondContact CD1-O 2.96Å
10	G	29.9	Very low	32.5	Very low	9 Å²	9	101 Å²	101	9%	0.093	51%	0.506	C	S	.	.			trans	-73.1	139.9	162	0	0	0	0	0	109.3	F46	G10-F46 CarbonylContact C-O 3.58Å
11	T	39.8	Very low	32.8	Very low	11 Å²	11	97 Å²	97	7%	0.067	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.8	-175.7	-73.9	0	0	0	0	109.3	M13 I45 S123 M124	T11-M13 HydrophobicContact CG2-CG 4.05Å; T11-I45 HydrophobicContact CG2-CB 4.31Å; T11-I45 HydrophobicContact CG2-CG1 3.68Å; T11-S123 CarbonylContact O-C 3.41Å; T11-S123 WeakPolarHBondContact O-CA 3.49Å; T11-S123 VanDerWaalsContact O-CB 3.27Å; T11-S123 WeakPolarHBondContact O-CB 3.19Å; T11-S123 PolarHBondContact O-OG 3.41Å; T11-M124 PolarHBondContact O-N 2.78Å
12	I	34.4	Very low	33	Very low	34 Å²	34	86.2 Å²	86.2	17%	0.174	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	113.6	170.7	-57.3	166.9	0	0	0	109.5	L44 F46 W53 C121 Y122 S123	I12-L44 CarbonylContact C-O 3.33Å; I12-L44 CarbonylContact O-C 3.45Å; I12-F46 HydrophobicContact CB-CB 4.12Å; I12-F46 HydrophobicContact CB-CD2 3.78Å; I12-F46 HydrophobicContact CB-CG 4.37Å; I12-F46 HydrophobicContact CD1-CB 3.9Å; I12-F46 HydrophobicContact CD1-CG 4.44Å; I12-F46 HydrophobicContact CG1-CB 4.11Å; I12-F46 HydrophobicContact CG2-CD2 4.42Å; I12-F46 WeakPolarHBondContact O-CD2 3.35Å; I12-W53 HydrophobicContact CD1-CE3 4.44Å; I12-W53 HydrophobicContact CD1-CZ3 4.46Å; I12-C121 HydrophobicContact CG2-CB 4.37Å; I12-Y122 CarbonylContact C-O 3.49Å; I12-Y122 VanDerWaalsContact CA-O 3.26Å; I12-Y122 WeakPolarHBondContact CA-O 3.34Å; I12-S123 VanDerWaalsContact CG1-OG 3.31Å; I12-S123 WeakPolarHBondContact CG1-OG 3.39Å
13	M	39.6	Very low	33.4	Very low	21 Å²	21	82.1 Å²	82.1	10%	0.103	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	111.1	179.1	-72.5	-170.3	-72.1	0	0	111.5	T11 I18 L107 F114 H120 C121 Y122	T11-M13 HydrophobicContact CG2-CG 4.05Å; M13-I18 HydrophobicContact CB-CD1 3.71Å; M13-L107 HydrophobicContact CE-CD1 4.08Å; M13-L107 HydrophobicContact CE-CD2 3.43Å; M13-L107 VanDerWaalsContact CE-CD2 3.43Å; M13-L107 HydrophobicContact CE-CG 4.42Å; M13-F114 HydrophobicContact CE-CD1 3.75Å; M13-F114 HydrophobicContact CE-CE1 3.56Å; M13-F114 HydrophobicContact CE-CZ 4.37Å; M13-H120 VanDerWaalsContact O-O 3.1Å; M13-C121 CarbonylContact O-C 3.41Å; M13-C121 WeakPolarHBondContact O-CA 3.21Å; M13-Y122 PolarHBondContact N-O 2.81Å; M13-Y122 PolarHBondContact O-N 2.83Å
14	C	33.9	Very low	33.8	Very low	40 Å²	40	78 Å²	78	27%	0.27	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.2	179	-72.7	0	0	0	0	115.1	Q16 L17 I18 H120 C121	C14-Q16 PolarHBondContact O-N 3Å; C14-Q16 VanDerWaalsContact O-N 3.17Å; C14-L17 PolarHBondContact O-N 3.41Å; C14-I18 WeakPolarHBondContact O-CD1 3.39Å; C14-I18 WeakPolarHBondContact O-CG1 3.36Å; C14-I18 PolarHBondContact O-N 3.43Å; C14-H120 CarbonylContact C-O 3.53Å; C14-H120 WeakPolarHBondContact CA-O 3.45Å; C14-C121 HydrophobicContact CB-CB 4.22Å; C14-C121 WeakPolarHBondContact CB-SG 3.22Å; C14-C121 WeakPolarHBondContact SG-CB 3.03Å; C14-C121 CovalentContact SG-SG 2.05Å; C14-C121 PolarHBondContact SG-SG 2.65Å
15	G	33.1	Very low	34.3	Very low	5 Å²	5	70.1 Å²	70.1	5%	0.052	38%	0.379	C	S	.	.	H	α-helix	trans	-67.9	-13.1	-162.1	0	0	0	0	0	119.5	Q100 H120	G15-Q100 PolarHBondContact O-NE2 3.34Å; G15-H120 VanDerWaalsContact CA-CB 3.45Å; G15-H120 PolarHBondContact N-O 3.38Å
16	Q	36	Very low	34.8	Very low	165 Å²	165	68.4 Å²	68.4	77%	0.771	36%	0.355	S	S	*	.	H	α-helix	trans	-83.6	-25.9	177.7	-78.1	-176	-30.8	0	0	113.1	C14	C14-Q16 PolarHBondContact O-N 3Å; C14-Q16 VanDerWaalsContact O-N 3.17Å
17	L	36.9	Very low	35.4	Very low	132 Å²	132	66.7 Å²	66.7	69%	0.691	35%	0.345	S	S	*	.	H	α-helix	trans	-89.6	-25	170.4	-82.1	155.9	0	0	0	112	C14 A21	C14-L17 PolarHBondContact O-N 3.41Å; L17-A21 WeakPolarHBondContact O-CB 3.31Å; L17-A21 PolarHBondContact O-N 2.86Å
18	I	41.7	Very low	35.9	Very low	6 Å²	6	60 Å²	60	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-61.1	-50	-178.8	-78.2	176.6	0	0	0	112.7	M13 C14 A20 L22 L44 L103	M13-I18 HydrophobicContact CB-CD1 3.71Å; C14-I18 WeakPolarHBondContact O-CD1 3.39Å; C14-I18 WeakPolarHBondContact O-CG1 3.36Å; C14-I18 PolarHBondContact O-N 3.43Å; I18-A20 PolarHBondContact O-N 2.81Å; I18-L22 HydrophobicContact CB-CD1 3.92Å; I18-L22 HydrophobicContact CG1-CD1 4.23Å; I18-L22 HydrophobicContact CG2-CD1 3.24Å; I18-L22 WeakPolarHBondContact O-CA 3.3Å; I18-L22 WeakPolarHBondContact O-CB 3.42Å; I18-L22 WeakPolarHBondContact O-CD1 3.47Å; I18-L22 PolarHBondContact O-N 3.47Å; I18-L44 HydrophobicContact CD1-CD2 4.16Å; I18-L44 HydrophobicContact CG1-CD1 4.06Å; I18-L44 HydrophobicContact CG1-CD2 3.38Å; I18-L44 HydrophobicContact CG1-CG 4.32Å; I18-L103 HydrophobicContact CG2-CD2 3.34Å
19	A	35.8	Very low	36.1	Very low	28 Å²	28	64.7 Å²	64.7	23%	0.231	34%	0.344	C	S	.	.	H	α-helix	trans	-63.9	-45.4	-171.7	0	0	0	0	0	112.1	Q23 Q100	A19-Q23 WeakPolarHBondContact O-CB 3.19Å; A19-Q23 WeakPolarHBondContact O-CG 3.29Å; A19-Q23 PolarHBondContact O-N 3.07Å; A19-Q100 HydrophobicContact CB-CB 4.36Å
20	A	34.8	Very low	36.2	Very low	58 Å²	58	66 Å²	66	48%	0.479	35%	0.35	S	S	.	.	H	α-helix	trans	-73.4	-45	179.1	0	0	0	0	0	112.3	I18 Q23 E24	I18-A20 PolarHBondContact O-N 2.81Å; A20-Q23 PolarHBondContact O-N 2.8Å; A20-E24 WeakPolarHBondContact O-CB 3.36Å; A20-E24 WeakPolarHBondContact O-CG 3.43Å; A20-E24 PolarHBondContact O-N 3.09Å
21	A	39.2	Very low	36.5	Very low	17 Å²	17	74 Å²	74	14%	0.14	39%	0.385	C	S	.	.	H	α-helix	trans	-66.8	-42.7	178.8	0	0	0	0	0	111.8	L17 A25 F38 Q42	L17-A21 WeakPolarHBondContact O-CB 3.31Å; L17-A21 PolarHBondContact O-N 2.86Å; A21-A25 WeakPolarHBondContact O-CB 3.49Å; A21-A25 PolarHBondContact O-N 2.82Å; A21-F38 WeakPolarHBondContact O-CZ 3.37Å; A21-Q42 HydrophobicContact CB-CB 4.49Å; A21-Q42 HydrophobicContact CB-CG 4.21Å
22	L	37.1	Very low	36.5	Very low	18 Å²	18	82.9 Å²	82.9	9%	0.094	43%	0.426	C	S	.	.	H	α-helix	trans	-68.4	-38.8	174.4	-78.3	142.2	0	0	0	111.8	I18 L26 F38 L39 L44 F97	I18-L22 HydrophobicContact CB-CD1 3.92Å; I18-L22 HydrophobicContact CG1-CD1 4.23Å; I18-L22 HydrophobicContact CG2-CD1 3.24Å; I18-L22 WeakPolarHBondContact O-CA 3.3Å; I18-L22 WeakPolarHBondContact O-CB 3.42Å; I18-L22 WeakPolarHBondContact O-CD1 3.47Å; I18-L22 PolarHBondContact O-N 3.47Å; L22-L26 HydrophobicContact CB-CD1 3.97Å; L22-L26 HydrophobicContact CB-CG 4.36Å; L22-L26 HydrophobicContact CD2-CD1 3.38Å; L22-L26 HydrophobicContact CD2-CD2 4.27Å; L22-L26 HydrophobicContact CD2-CG 3.9Å; L22-L26 HydrophobicContact CG-CD1 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.46Å; L22-L26 WeakPolarHBondContact O-CG 3.35Å; L22-L26 PolarHBondContact O-N 3.33Å; L22-F38 HydrophobicContact CD2-CE1 3.93Å; L22-F38 HydrophobicContact CG-CE1 4.07Å; L22-L39 HydrophobicContact CD2-CD2 4.45Å; L22-L44 HydrophobicContact CD1-CD1 4.32Å; L22-F97 HydrophobicContact CD2-CD1 3.97Å; L22-F97 HydrophobicContact CD2-CE1 3.72Å
23	Q	35.3	Very low	36.5	Very low	124 Å²	124	83.6 Å²	83.6	58%	0.579	43%	0.434	S	S	*	.	H	α-helix	trans	-65.6	-46.6	174.1	-88.6	-174.3	-54.4	0	0	112.5	A19 A20 A25 F27	A19-Q23 WeakPolarHBondContact O-CB 3.19Å; A19-Q23 WeakPolarHBondContact O-CG 3.29Å; A19-Q23 PolarHBondContact O-N 3.07Å; A20-Q23 PolarHBondContact O-N 2.8Å; Q23-A25 VanDerWaalsContact C-N 3.32Å; Q23-A25 PolarHBondContact O-N 2.88Å; Q23-F27 HydrophobicContact CB-CD2 4.47Å; Q23-F27 HydrophobicContact CG-CD2 4.42Å; Q23-F27 HydrophobicContact CG-CE2 4.19Å; Q23-F27 WeakPolarHBondContact O-CB 3.26Å; Q23-F27 VanDerWaalsContact O-CD2 3.22Å; Q23-F27 WeakPolarHBondContact O-CD2 3.42Å; Q23-F27 PolarHBondContact O-N 2.99Å
24	E	37.7	Very low	36.7	Very low	160 Å²	160	88 Å²	88	75%	0.748	45%	0.454	S	S	*	.	H	α-helix	trans	-69.8	-30	-177	-75.9	-165.3	167.3	0	0	112.9	A20 P28	A20-E24 WeakPolarHBondContact O-CB 3.36Å; A20-E24 WeakPolarHBondContact O-CG 3.43Å; A20-E24 PolarHBondContact O-N 3.09Å; E24-P28 WeakPolarHBondContact O-CD 3.36Å
25	A	39.9	Very low	37.2	Very low	27 Å²	27	88.5 Å²	88.5	22%	0.223	46%	0.456	C	S	.	.	H	α-helix	trans	-94.9	-34.9	-177.9	0	0	0	0	0	115	A21 Q23 F27 F38	A21-A25 WeakPolarHBondContact O-CB 3.49Å; A21-A25 PolarHBondContact O-N 2.82Å; Q23-A25 VanDerWaalsContact C-N 3.32Å; Q23-A25 PolarHBondContact O-N 2.88Å; A25-F27 VanDerWaalsContact C-N 3.34Å; A25-F38 HydrophobicContact CB-CD2 3.69Å; A25-F38 HydrophobicContact CB-CE1 4.01Å; A25-F38 HydrophobicContact CB-CE2 2.86Å; A25-F38 HydrophobicContact CB-CZ 3.04Å
26	L	36.5	Very low	37.6	Very low	27 Å²	27	88.5 Å²	88.5	14%	0.141	46%	0.455	C	S	.	.	H	α-helix	trans	-76.6	-23.9	-178.4	-62.2	178.5	0	0	0	112.4	L22 M30 F38 F97	L22-L26 HydrophobicContact CB-CD1 3.97Å; L22-L26 HydrophobicContact CB-CG 4.36Å; L22-L26 HydrophobicContact CD2-CD1 3.38Å; L22-L26 HydrophobicContact CD2-CD2 4.27Å; L22-L26 HydrophobicContact CD2-CG 3.9Å; L22-L26 HydrophobicContact CG-CD1 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.46Å; L22-L26 WeakPolarHBondContact O-CG 3.35Å; L22-L26 PolarHBondContact O-N 3.33Å; L26-M30 HydrophobicContact CB-CE 4.08Å; L26-M30 HydrophobicContact CD2-CE 3.52Å; L26-M30 HydrophobicContact CD2-CG 4.32Å; L26-M30 HydrophobicContact CD2-SD 3.43Å; L26-M30 WeakPolarHBondContact CD2-SD 3.3Å; L26-M30 HydrophobicContact CG-CE 4.35Å; L26-F38 HydrophobicContact CD2-CD1 4.47Å; L26-F97 HydrophobicContact CD1-CB 4.08Å; L26-F97 HydrophobicContact CD1-CD1 3.46Å; L26-F97 VanDerWaalsContact CD1-CD1 3.46Å; L26-F97 HydrophobicContact CD1-CE1 4Å; L26-F97 HydrophobicContact CD1-CG 3.78Å
27	F	38.8	Very low	37.9	Very low	142 Å²	142	85 Å²	85	62%	0.623	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-18.8	-170.7	-76.4	-91.2	0	0	0	116.3	Q23 A25	Q23-F27 HydrophobicContact CB-CD2 4.47Å; Q23-F27 HydrophobicContact CG-CD2 4.42Å; Q23-F27 HydrophobicContact CG-CE2 4.19Å; Q23-F27 WeakPolarHBondContact O-CB 3.26Å; Q23-F27 VanDerWaalsContact O-CD2 3.22Å; Q23-F27 WeakPolarHBondContact O-CD2 3.42Å; Q23-F27 PolarHBondContact O-N 2.99Å; A25-F27 VanDerWaalsContact C-N 3.34Å
28	P	37.6	Very low	38.4	Very low	100 Å²	100	79.7 Å²	79.7	65%	0.649	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-19.1	171.2	3.3	18.8	0	0	0	117.5	E24	E24-P28 WeakPolarHBondContact O-CD 3.36Å
29	K	30.3	Very low	38.4	Very low	176 Å²	176	80.4 Å²	80.4	77%	0.765	41%	0.414	S	S	*	.			trans	-138.7	30.5	-164.5	-75	-167.5	178.9	-178.9	0	118.3	Q31	K29-Q31 PolarHBondContact O-N 3.46Å
30	M	31.5	Very low	38.8	Very low	86 Å²	86	83.7 Å²	83.7	42%	0.424	43%	0.425	S	S	.	.			trans	-82	69.7	162.7	-75.4	-167.8	-61.2	0	0	111.4	L26	L26-M30 HydrophobicContact CB-CE 4.08Å; L26-M30 HydrophobicContact CD2-CE 3.52Å; L26-M30 HydrophobicContact CD2-CG 4.32Å; L26-M30 HydrophobicContact CD2-SD 3.43Å; L26-M30 WeakPolarHBondContact CD2-SD 3.3Å; L26-M30 HydrophobicContact CG-CE 4.35Å
31	Q	35.8	Very low	39.2	Very low	177 Å²	177	85.6 Å²	85.6	83%	0.827	42%	0.424	S	S	*	.	S	Bend	trans	-102.8	117.1	143.8	-81.8	-171.5	-15	0	0	106.6	K29 S33	K29-Q31 PolarHBondContact O-N 3.46Å; Q31-S33 PolarHBondContact O-N 3.4Å
32	E	40.3	Very low	39.5	Very low	198 Å²	198	88.8 Å²	88.8	93%	0.925	44%	0.436	S	S	*	.	S	Bend	trans	72.7	-11.1	162.4	-58.5	-171.5	169	0	0	121.8
33	S	34.9	Very low	39.6	Very low	48 Å²	48	88.9 Å²	88.9	34%	0.336	44%	0.441	S	S	.	.			trans	-93.7	115.7	171.3	56.1	0	0	0	0	112.1	Q31	Q31-S33 PolarHBondContact O-N 3.4Å
34	H	44.1	Very low	39.8	Very low	114 Å²	114	83.2 Å²	83.2	53%	0.528	42%	0.415	S	S	.	.			trans	-48.8	143.4	-178.8	-96.8	-99.4	0	0	0	112.7	V36 Q37 F38	H34-V36 PolarHBondContact O-N 2.83Å; H34-Q37 PolarHBondContact O-N 3.13Å; H34-F38 PolarHBondContact O-N 3.38Å; H34-F38 VanDerWaalsContact O-N 3.14Å
35	P	43.6	Very low	39.7	Very low	50 Å²	50	76.9 Å²	76.9	33%	0.325	39%	0.386	S	S	.	.	H	α-helix	trans	-48.8	-30.6	176.6	-28.4	34.1	0	0	0	113.8	L39	P35-L39 WeakPolarHBondContact O-CB 3.24Å; P35-L39 WeakPolarHBondContact O-CG 3.49Å; P35-L39 PolarHBondContact O-N 2.94Å
36	V	41.4	Very low	39.7	Very low	5 Å²	5	77.3 Å²	77.3	3%	0.03	38%	0.383	C	S	.	.	H	α-helix	trans	-73.2	-47.9	-178.6	-173.6	0	0	0	0	112.2	H34 F38 L39 Q40 I45 L206 G207	H34-V36 PolarHBondContact O-N 2.83Å; V36-F38 PolarHBondContact O-N 3.31Å; V36-L39 CarbonylContact O-C 3.59Å; V36-L39 PolarHBondContact O-N 3.46Å; V36-Q40 HydrophobicContact CG1-CG 4.41Å; V36-Q40 WeakPolarHBondContact O-CB 3.4Å; V36-Q40 VanDerWaalsContact O-CG 3.28Å; V36-Q40 WeakPolarHBondContact O-CG 3.2Å; V36-Q40 PolarHBondContact O-N 3.25Å; V36-I45 HydrophobicContact CG1-CD1 3.86Å; V36-L206 VanDerWaalsContact CG1-O 3.26Å; V36-L206 WeakPolarHBondContact CG1-O 3.24Å; V36-L206 VanDerWaalsContact CG2-CA 3.43Å; V36-L206 WeakPolarHBondContact CG2-O 3.36Å; V36-G207 WeakPolarHBondContact CG1-OXT 3.38Å; V36-G207 VanDerWaalsContact CG2-OXT 3.25Å; V36-G207 WeakPolarHBondContact CG2-OXT 3.43Å
37	Q	43	Very low	39.5	Very low	93 Å²	93	83.2 Å²	83.2	44%	0.435	41%	0.409	S	S	.	.	H	α-helix	trans	-60.3	-40.4	175.8	-177.5	176	-9	0	0	109.5	H34 Q40 E41	H34-Q37 PolarHBondContact O-N 3.13Å; Q37-Q40 PolarHBondContact O-N 3.25Å; Q37-E41 HydrophobicContact CG-CG 4.28Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.41Å; Q37-E41 PolarHBondContact NE2-OE1 3.39Å; Q37-E41 VanDerWaalsContact O-CB 3.29Å; Q37-E41 WeakPolarHBondContact O-CB 2.91Å; Q37-E41 VanDerWaalsContact O-CG 3.24Å; Q37-E41 WeakPolarHBondContact O-CG 3.28Å; Q37-E41 PolarHBondContact O-N 3.37Å
38	F	46.5	Very low	39.3	Very low	19 Å²	19	82.4 Å²	82.4	8%	0.083	41%	0.407	C	S	.	.	H	α-helix	trans	-60.7	-51.1	173.3	174.6	-104.7	0	0	0	112.4	A21 L22 A25 L26 H34 V36 Q40 E41 Q42	A21-F38 WeakPolarHBondContact O-CZ 3.37Å; L22-F38 HydrophobicContact CD2-CE1 3.93Å; L22-F38 HydrophobicContact CG-CE1 4.07Å; A25-F38 HydrophobicContact CB-CD2 3.69Å; A25-F38 HydrophobicContact CB-CE1 4.01Å; A25-F38 HydrophobicContact CB-CE2 2.86Å; A25-F38 HydrophobicContact CB-CZ 3.04Å; L26-F38 HydrophobicContact CD2-CD1 4.47Å; H34-F38 PolarHBondContact O-N 3.38Å; H34-F38 VanDerWaalsContact O-N 3.14Å; V36-F38 PolarHBondContact O-N 3.31Å; F38-Q40 VanDerWaalsContact C-N 3.25Å; F38-Q40 PolarHBondContact O-N 2.86Å; F38-E41 PolarHBondContact O-N 3.32Å; F38-Q42 HydrophobicContact CD2-CG 3.96Å; F38-Q42 HydrophobicContact CE1-CG 4.03Å; F38-Q42 HydrophobicContact CE2-CG 3.21Å; F38-Q42 HydrophobicContact CZ-CB 4.45Å; F38-Q42 HydrophobicContact CZ-CG 3.26Å; F38-Q42 VanDerWaalsContact O-CG 3.32Å; F38-Q42 WeakPolarHBondContact O-CG 3.23Å; F38-Q42 PolarHBondContact O-N 3.3Å
39	L	43.5	Very low	39.1	Very low	21 Å²	21	84.6 Å²	84.6	11%	0.11	41%	0.414	C	S	.	.	H	α-helix	trans	-61.4	-33.1	177.3	-70.2	170.5	0	0	0	112	L22 P35 V36 G43 L44 I45	L22-L39 HydrophobicContact CD2-CD2 4.45Å; P35-L39 WeakPolarHBondContact O-CB 3.24Å; P35-L39 WeakPolarHBondContact O-CG 3.49Å; P35-L39 PolarHBondContact O-N 2.94Å; V36-L39 CarbonylContact O-C 3.59Å; V36-L39 PolarHBondContact O-N 3.46Å; L39-G43 PolarHBondContact O-N 2.82Å; L39-L44 HydrophobicContact CB-CB 4.21Å; L39-L44 HydrophobicContact CD2-CB 3.85Å; L39-L44 HydrophobicContact CD2-CD1 3.52Å; L39-L44 HydrophobicContact CD2-CG 4.33Å; L39-L44 WeakPolarHBondContact O-CA 3.36Å; L39-L44 VanDerWaalsContact O-CB 3.32Å; L39-L44 WeakPolarHBondContact O-CB 3.12Å; L39-L44 PolarHBondContact O-N 2.98Å; L39-I45 HydrophobicContact CB-CD1 3.48Å; L39-I45 VanDerWaalsContact CB-CD1 3.48Å; L39-I45 HydrophobicContact CB-CG1 3.89Å; L39-I45 HydrophobicContact CD1-CD1 4.43Å; L39-I45 PolarHBondContact O-N 2.8Å
40	Q	42.3	Very low	39.1	Very low	98 Å²	98	77.7 Å²	77.7	46%	0.458	39%	0.387	S	S	.	.	H	α-helix	trans	-70.1	-47.6	173.7	-73.8	174.2	-6.7	0	0	111.9	V36 Q37 F38 Q42 G43 I45	V36-Q40 HydrophobicContact CG1-CG 4.41Å; V36-Q40 WeakPolarHBondContact O-CB 3.4Å; V36-Q40 VanDerWaalsContact O-CG 3.28Å; V36-Q40 WeakPolarHBondContact O-CG 3.2Å; V36-Q40 PolarHBondContact O-N 3.25Å; Q37-Q40 PolarHBondContact O-N 3.25Å; F38-Q40 VanDerWaalsContact C-N 3.25Å; F38-Q40 PolarHBondContact O-N 2.86Å; Q40-Q42 PolarHBondContact O-N 2.99Å; Q40-G43 PolarHBondContact O-N 3Å; Q40-I45 HydrophobicContact CG-CB 4Å; Q40-I45 HydrophobicContact CG-CD1 3.64Å; Q40-I45 HydrophobicContact CG-CG1 4.38Å; Q40-I45 HydrophobicContact CG-CG2 4.18Å
41	E	45.1	Very low	39.1	Very low	98 Å²	98	81.5 Å²	81.5	46%	0.458	41%	0.407	S	S	.	.	H	α-helix	trans	-62.3	-29.3	178.4	-77.2	174.6	-175.3	0	0	112.4	Q37 F38 G43 L58	Q37-E41 HydrophobicContact CG-CG 4.28Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.41Å; Q37-E41 PolarHBondContact NE2-OE1 3.39Å; Q37-E41 VanDerWaalsContact O-CB 3.29Å; Q37-E41 WeakPolarHBondContact O-CB 2.91Å; Q37-E41 VanDerWaalsContact O-CG 3.24Å; Q37-E41 WeakPolarHBondContact O-CG 3.28Å; Q37-E41 PolarHBondContact O-N 3.37Å; F38-E41 PolarHBondContact O-N 3.32Å; E41-G43 VanDerWaalsContact C-N 3.35Å; E41-L58 WeakPolarHBondContact O-CD1 3.39Å
42	Q	44.3	Very low	38.9	Very low	84 Å²	84	76.9 Å²	76.9	39%	0.393	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	1.1	174.7	-61.2	-48.5	-56.5	0	0	114.1	A21 F38 Q40 L44	A21-Q42 HydrophobicContact CB-CB 4.49Å; A21-Q42 HydrophobicContact CB-CG 4.21Å; F38-Q42 HydrophobicContact CD2-CG 3.96Å; F38-Q42 HydrophobicContact CE1-CG 4.03Å; F38-Q42 HydrophobicContact CE2-CG 3.21Å; F38-Q42 HydrophobicContact CZ-CB 4.45Å; F38-Q42 HydrophobicContact CZ-CG 3.26Å; F38-Q42 VanDerWaalsContact O-CG 3.32Å; F38-Q42 WeakPolarHBondContact O-CG 3.23Å; F38-Q42 PolarHBondContact O-N 3.3Å; Q40-Q42 PolarHBondContact O-N 2.99Å; Q42-L44 HydrophobicContact CB-CD1 3.91Å; Q42-L44 HydrophobicContact CB-CG 3.88Å; Q42-L44 PolarHBondContact O-N 3.19Å
43	G	39.5	Very low	38.5	Very low	20 Å²	20	76.3 Å²	76.3	21%	0.206	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	30.6	-176.2	0	0	0	0	0	113.1	L39 Q40 E41 F46	L39-G43 PolarHBondContact O-N 2.82Å; Q40-G43 PolarHBondContact O-N 3Å; E41-G43 VanDerWaalsContact C-N 3.35Å; G43-F46 WeakPolarHBondContact O-CE2 3.45Å; G43-F46 WeakPolarHBondContact O-CZ 3.46Å
44	L	38.9	Very low	38.1	Very low	5 Å²	5	81.6 Å²	81.6	3%	0.026	40%	0.4	C	S	.	.			trans	-92.7	-1.2	174.1	-60	174.5	0	0	0	112.4	I12 I18 L22 L39 Q42	I12-L44 CarbonylContact C-O 3.33Å; I12-L44 CarbonylContact O-C 3.45Å; I18-L44 HydrophobicContact CD1-CD2 4.16Å; I18-L44 HydrophobicContact CG1-CD1 4.06Å; I18-L44 HydrophobicContact CG1-CD2 3.38Å; I18-L44 HydrophobicContact CG1-CG 4.32Å; L22-L44 HydrophobicContact CD1-CD1 4.32Å; L39-L44 HydrophobicContact CB-CB 4.21Å; L39-L44 HydrophobicContact CD2-CB 3.85Å; L39-L44 HydrophobicContact CD2-CD1 3.52Å; L39-L44 HydrophobicContact CD2-CG 4.33Å; L39-L44 WeakPolarHBondContact O-CA 3.36Å; L39-L44 VanDerWaalsContact O-CB 3.32Å; L39-L44 WeakPolarHBondContact O-CB 3.12Å; L39-L44 PolarHBondContact O-N 2.98Å; Q42-L44 HydrophobicContact CB-CD1 3.91Å; Q42-L44 HydrophobicContact CB-CG 3.88Å; Q42-L44 PolarHBondContact O-N 3.19Å
45	I	36	Very low	37.5	Very low	26 Å²	26	81.1 Å²	81.1	13%	0.133	41%	0.407	C	S	.	.			trans	-120.9	127.9	171.9	-69.1	164.4	0	0	0	108.5	T11 V36 L39 Q40	T11-I45 HydrophobicContact CG2-CB 4.31Å; T11-I45 HydrophobicContact CG2-CG1 3.68Å; V36-I45 HydrophobicContact CG1-CD1 3.86Å; L39-I45 HydrophobicContact CB-CD1 3.48Å; L39-I45 VanDerWaalsContact CB-CD1 3.48Å; L39-I45 HydrophobicContact CB-CG1 3.89Å; L39-I45 HydrophobicContact CD1-CD1 4.43Å; L39-I45 PolarHBondContact O-N 2.8Å; Q40-I45 HydrophobicContact CG-CB 4Å; Q40-I45 HydrophobicContact CG-CD1 3.64Å; Q40-I45 HydrophobicContact CG-CG1 4.38Å; Q40-I45 HydrophobicContact CG-CG2 4.18Å
46	F	40.5	Very low	36.9	Very low	36 Å²	36	82.4 Å²	82.4	16%	0.158	41%	0.411	C	S	.	.			trans	-131.6	135.3	179.1	-70.6	-84	0	0	0	111	G10 I12 G43 P55 I56	G10-F46 CarbonylContact C-O 3.58Å; I12-F46 HydrophobicContact CB-CB 4.12Å; I12-F46 HydrophobicContact CB-CD2 3.78Å; I12-F46 HydrophobicContact CB-CG 4.37Å; I12-F46 HydrophobicContact CD1-CB 3.9Å; I12-F46 HydrophobicContact CD1-CG 4.44Å; I12-F46 HydrophobicContact CG1-CB 4.11Å; I12-F46 HydrophobicContact CG2-CD2 4.42Å; I12-F46 WeakPolarHBondContact O-CD2 3.35Å; G43-F46 WeakPolarHBondContact O-CE2 3.45Å; G43-F46 WeakPolarHBondContact O-CZ 3.46Å; F46-P55 HydrophobicContact CE1-CB 4.29Å; F46-P55 HydrophobicContact CZ-CB 3.88Å; F46-I56 HydrophobicContact CE1-CB 4.26Å; F46-I56 VanDerWaalsContact CE1-N 3.34Å
47	H	31.9	Very low	36.3	Very low	151 Å²	151	85.2 Å²	85.2	70%	0.699	43%	0.431	S	S	*	.			trans	-69.3	136.4	176.8	-119.6	-82.1	0	0	0	112.2	N49	H47-N49 PolarHBondContact O-N 3.04Å
48	E	35.3	Very low	35.7	Very low	126 Å²	126	84.1 Å²	84.1	59%	0.589	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	3.3	-179.6	-107.5	-175.9	161	0	0	116.4
49	N	32.1	Very low	35	Very low	146 Å²	146	86.8 Å²	86.8	78%	0.781	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	13.5	-177.7	-75.5	-15.1	0	0	0	115.7	H47 I51	H47-N49 PolarHBondContact O-N 3.04Å; N49-I51 PolarHBondContact O-N 2.97Å
50	C	30.4	Very low	34.3	Very low	31 Å²	31	90.2 Å²	90.2	21%	0.209	47%	0.466	C	S	.	.			trans	-91.2	98.2	164.9	168.3	0	0	0	0	110.3	C52 W53	C50-C52 WeakPolarHBondContact CB-SG 3.27Å; C50-C52 PolarHBondContact O-N 2.87Å; C50-C52 WeakPolarHBondContact SG-CB 3.29Å; C50-C52 CovalentContact SG-SG 2.08Å; C50-C52 PolarHBondContact SG-SG 3.09Å; C50-W53 PolarHBondContact O-N 2.89Å; C50-W53 PolarHBondContact SG-N 3.06Å
51	I	32.2	Very low	33.7	Very low	165 Å²	165	89.8 Å²	89.8	85%	0.846	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.8	168.7	-47.2	170.8	0	0	0	111	N49	N49-I51 PolarHBondContact O-N 2.97Å
52	C	31.5	Very low	32.9	Very low	81 Å²	81	90 Å²	90	55%	0.547	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.3	-177.4	34.3	0	0	0	0	115.9	C50 K54	C50-C52 WeakPolarHBondContact CB-SG 3.27Å; C50-C52 PolarHBondContact O-N 2.87Å; C50-C52 WeakPolarHBondContact SG-CB 3.29Å; C50-C52 CovalentContact SG-SG 2.08Å; C50-C52 PolarHBondContact SG-SG 3.09Å; C52-K54 HydrophobicContact CB-CB 4.45Å; C52-K54 PolarHBondContact O-N 3.06Å
53	W	31.9	Very low	32.3	Very low	185 Å²	185	90.1 Å²	90.1	70%	0.701	48%	0.477	S	S	*	.			trans	46.9	14.9	-171.6	-64.7	86.9	0	0	0	115.3	I12 C50 T117	I12-W53 HydrophobicContact CD1-CE3 4.44Å; I12-W53 HydrophobicContact CD1-CZ3 4.46Å; C50-W53 PolarHBondContact O-N 2.89Å; C50-W53 PolarHBondContact SG-N 3.06Å; W53-T117 HydrophobicContact CZ3-CG2 4.05Å
54	K	27.1	Very low	31.8	Very low	159 Å²	159	96.2 Å²	96.2	69%	0.691	50%	0.498	S	S	*	.			trans	-89	139.6	178.4	-76.6	-174.8	179.2	-178.3	0	108.7	C52 I56	C52-K54 HydrophobicContact CB-CB 4.45Å; C52-K54 PolarHBondContact O-N 3.06Å; K54-I56 PolarHBondContact O-N 2.94Å; K54-I56 VanDerWaalsContact O-N 3.15Å
55	P	30.6	Very low	31.3	Very low	104 Å²	104	102.9 Å²	102.9	68%	0.675	53%	0.529	S	S	*	.			trans	-57.4	122.6	171.4	23.4	-31	0	0	0	108.9	F46 S57	F46-P55 HydrophobicContact CE1-CB 4.29Å; F46-P55 HydrophobicContact CZ-CB 3.88Å; P55-S57 PolarHBondContact O-N 3Å
56	I	30.3	Very low	30.9	Very low	77 Å²	77	107.4 Å²	107.4	40%	0.395	56%	0.558	S	S	.	*			trans	-68.9	112.8	167.8	-58.9	176.1	0	0	0	106.4	F46 K54 L58 L61	F46-I56 HydrophobicContact CE1-CB 4.26Å; F46-I56 VanDerWaalsContact CE1-N 3.34Å; K54-I56 PolarHBondContact O-N 2.94Å; K54-I56 VanDerWaalsContact O-N 3.15Å; I56-L58 PolarHBondContact O-N 3.49Å; I56-L61 HydrophobicContact CB-CD1 4.37Å; I56-L61 HydrophobicContact CG2-CD1 3.68Å; I56-L61 HydrophobicContact CG2-CG 4.09Å
57	S	30.6	Very low	30.5	Very low	65 Å²	65	109.2 Å²	109.2	46%	0.455	58%	0.579	S	S	.	*			trans	-58.5	128.8	171.6	-177.4	0	0	0	0	109.5	P55 S59 L60	P55-S57 PolarHBondContact O-N 3Å; S57-S59 PolarHBondContact O-N 3.09Å; S57-S59 VanDerWaalsContact O-N 3.15Å; S57-S59 PolarHBondContact OG-OG 3.34Å; S57-L60 WeakPolarHBondContact O-CA 3.37Å; S57-L60 VanDerWaalsContact O-CB 3.26Å; S57-L60 WeakPolarHBondContact O-CB 3.39Å; S57-L60 PolarHBondContact O-N 2.87Å
58	L	30.4	Very low	30.2	Very low	70 Å²	70	109.2 Å²	109.2	37%	0.366	58%	0.579	S	S	.	*	H	α-helix	trans	-57.4	-29.8	-179.8	-133.4	137.6	0	0	0	112.2	E41 I56 L60 L61 L62	E41-L58 WeakPolarHBondContact O-CD1 3.39Å; I56-L58 PolarHBondContact O-N 3.49Å; L58-L60 PolarHBondContact O-N 2.91Å; L58-L61 PolarHBondContact O-N 3.11Å; L58-L62 HydrophobicContact CD2-CD1 3.73Å; L58-L62 HydrophobicContact CD2-CG 4.12Å; L58-L62 PolarHBondContact O-N 2.87Å
59	S	30.3	Very low	29.8	Very low	74 Å²	74	107.1 Å²	107.1	52%	0.517	58%	0.579	S	S	.	*	H	α-helix	trans	-59.4	-29	172	57.2	0	0	0	0	113.4	S57 T63	S57-S59 PolarHBondContact O-N 3.09Å; S57-S59 VanDerWaalsContact O-N 3.15Å; S57-S59 PolarHBondContact OG-OG 3.34Å; S59-T63 WeakPolarHBondContact O-CB 3.22Å; S59-T63 VanDerWaalsContact O-CG2 3.32Å; S59-T63 WeakPolarHBondContact O-CG2 3.34Å; S59-T63 PolarHBondContact O-N 3.28Å; S59-T63 PolarHBondContact O-OG1 3.46Å
60	L	29.2	Very low	29.4	Very low	94 Å²	94	110.2 Å²	110.2	49%	0.492	59%	0.585	S	S	.	*	H	α-helix	trans	-83.3	-27.7	179.5	-134.2	125.3	0	0	0	112.6	S57 L58 T63 K64	S57-L60 WeakPolarHBondContact O-CA 3.37Å; S57-L60 VanDerWaalsContact O-CB 3.26Å; S57-L60 WeakPolarHBondContact O-CB 3.39Å; S57-L60 PolarHBondContact O-N 2.87Å; L58-L60 PolarHBondContact O-N 2.91Å; L60-T63 WeakPolarHBondContact CA-OG1 3.29Å; L60-T63 PolarHBondContact O-OG1 2.05Å; L60-K64 WeakPolarHBondContact O-CB 3.37Å; L60-K64 WeakPolarHBondContact O-CG 3.22Å; L60-K64 PolarHBondContact O-N 2.74Å
61	L	29.9	Very low	29.1	Very low	89 Å²	89	114.8 Å²	114.8	47%	0.466	61%	0.607	S	S	.	*	H	α-helix	trans	-75.7	-44.6	173.7	-104.3	151.2	0	0	0	111.1	I56 L58 K64 Q65	I56-L61 HydrophobicContact CB-CD1 4.37Å; I56-L61 HydrophobicContact CG2-CD1 3.68Å; I56-L61 HydrophobicContact CG2-CG 4.09Å; L58-L61 PolarHBondContact O-N 3.11Å; L61-K64 PolarHBondContact O-N 2.92Å; L61-Q65 PolarHBondContact O-N 3.17Å
62	L	28.6	Very low	28.7	Very low	101 Å²	101	112.4 Å²	112.4	53%	0.529	61%	0.605	S	S	.	*	H	α-helix	trans	-66.1	-40.5	177.1	-73.5	168.1	0	0	0	111.9	L58 K64 Q65 T66	L58-L62 HydrophobicContact CD2-CD1 3.73Å; L58-L62 HydrophobicContact CD2-CG 4.12Å; L58-L62 PolarHBondContact O-N 2.87Å; L62-K64 PolarHBondContact O-N 3.25Å; L62-Q65 PolarHBondContact O-N 3.36Å; L62-T66 PolarHBondContact O-N 2.99Å; L62-T66 VanDerWaalsContact O-N 3.07Å; L62-T66 PolarHBondContact O-OG1 3.45Å
63	T	31	Very low	28.5	Very low	88 Å²	88	114.5 Å²	114.5	54%	0.54	61%	0.609	S	S	.	*	H	α-helix	trans	-67.4	-34.4	176.3	43	0	0	0	0	113.1	S59 L60 T66	S59-T63 WeakPolarHBondContact O-CB 3.22Å; S59-T63 VanDerWaalsContact O-CG2 3.32Å; S59-T63 WeakPolarHBondContact O-CG2 3.34Å; S59-T63 PolarHBondContact O-N 3.28Å; S59-T63 PolarHBondContact O-OG1 3.46Å; L60-T63 WeakPolarHBondContact CA-OG1 3.29Å; L60-T63 PolarHBondContact O-OG1 2.05Å; T63-T66 WeakPolarHBondContact CA-OG1 3.42Å; T63-T66 PolarHBondContact O-OG1 2.95Å; T63-T66 VanDerWaalsContact O-OG1 3.06Å
64	K	28.6	Very low	28	Very low	147 Å²	147	109.8 Å²	109.8	64%	0.639	62%	0.618	S	S	*	*	H	α-helix	trans	-72.7	-36.3	174.7	-81.6	-174.1	175	-175.4	0	113.3	L60 L61 L62 A67	L60-K64 WeakPolarHBondContact O-CB 3.37Å; L60-K64 WeakPolarHBondContact O-CG 3.22Å; L60-K64 PolarHBondContact O-N 2.74Å; L61-K64 PolarHBondContact O-N 2.92Å; L62-K64 PolarHBondContact O-N 3.25Å; K64-A67 PolarHBondContact O-N 3.34Å
65	Q	28.9	Very low	28	Very low	145 Å²	145	105.2 Å²	105.2	68%	0.678	61%	0.611	S	S	*	*	H	α-helix	trans	-70.6	-34.2	175.8	-89.2	-174.7	-9.7	0	0	112.6	L61 L62 A67 H68	L61-Q65 PolarHBondContact O-N 3.17Å; L62-Q65 PolarHBondContact O-N 3.36Å; Q65-A67 PolarHBondContact O-N 3.41Å; Q65-H68 PolarHBondContact O-N 2.74Å
66	T	28.6	Very low	27.6	Very low	122 Å²	122	108.7 Å²	108.7	75%	0.748	62%	0.618	S	S	*	*	H	α-helix	trans	-68.8	-17	174.7	41.5	0	0	0	0	114.2	L62 T63	L62-T66 PolarHBondContact O-N 2.99Å; L62-T66 VanDerWaalsContact O-N 3.07Å; L62-T66 PolarHBondContact O-OG1 3.45Å; T63-T66 WeakPolarHBondContact CA-OG1 3.42Å; T63-T66 PolarHBondContact O-OG1 2.95Å; T63-T66 VanDerWaalsContact O-OG1 3.06Å
67	A	31.6	Very low	27.4	Very low	73 Å²	73	112 Å²	112	60%	0.603	64%	0.635	S	S	*	*	H	α-helix	trans	-86.7	-21.7	178.5	0	0	0	0	0	113.6	K64 Q65	K64-A67 PolarHBondContact O-N 3.34Å; Q65-A67 PolarHBondContact O-N 3.41Å
68	H	25.5	Very low	27	Very low	151 Å²	151	117.5 Å²	117.5	70%	0.699	65%	0.65	S	S	*	*	S	Bend	trans	-114.6	94	179.9	-79.9	-84.3	0	0	0	111.8	Q65	Q65-H68 PolarHBondContact O-N 2.74Å
69	S	25.8	Very low	26.9	Very low	82 Å²	82	122.5 Å²	122.5	57%	0.573	67%	0.672	S	S	*	*			trans	67.2	117.4	147.6	43.9	0	0	0	0	118	L71	S69-L71 PolarHBondContact O-N 2.89Å
70	K	25.7	Very low	26.7	Very low	212 Å²	212	124.8 Å²	124.8	92%	0.922	69%	0.685	S	S	*	*			trans	-38.9	82.7	142.7	-66.2	172.2	174.4	177.7	0	110.9
71	L	23.4	Very low	26.8	Very low	126 Å²	126	125 Å²	125	66%	0.66	70%	0.7	S	S	*	*			trans	-100.2	84.1	164.1	-99	156.4	0	0	0	106.4	S69 I73	S69-L71 PolarHBondContact O-N 2.89Å; L71-I73 HydrophobicContact CB-CD1 4.43Å; L71-I73 HydrophobicContact CB-CG1 4.26Å; L71-I73 HydrophobicContact CD2-CD1 4.26Å; L71-I73 HydrophobicContact CD2-CG1 4.1Å; L71-I73 PolarHBondContact O-N 3.17Å
72	S	23.4	Very low	26.9	Very low	116 Å²	116	128 Å²	128	81%	0.811	72%	0.717	S	S	*	*			trans	-60.8	89.9	160.4	36.4	0	0	0	0	108.3
73	I	26.7	Very low	26.9	Very low	124 Å²	124	134 Å²	134	64%	0.636	73%	0.733	S	S	*	*			trans	-99.2	83.7	169.6	-58.2	177	0	0	0	106.5	L71 A75	L71-I73 HydrophobicContact CB-CD1 4.43Å; L71-I73 HydrophobicContact CB-CG1 4.26Å; L71-I73 HydrophobicContact CD2-CD1 4.26Å; L71-I73 HydrophobicContact CD2-CG1 4.1Å; L71-I73 PolarHBondContact O-N 3.17Å; I73-A75 HydrophobicContact CG2-CB 3.55Å; I73-A75 PolarHBondContact O-N 3.2Å
74	G	22.5	Very low	26.7	Very low	86 Å²	86	134.4 Å²	134.4	89%	0.887	74%	0.739	S	S	*	*			trans	-74.3	49.6	160	0	0	0	0	0	111	E76	G74-E76 PolarHBondContact O-N 3.15Å
75	A	25.9	Very low	26.9	Very low	64 Å²	64	132.9 Å²	132.9	53%	0.529	74%	0.741	S	S	.	*			trans	-88	105.3	167.5	0	0	0	0	0	106.7	I73 I77	I73-A75 HydrophobicContact CG2-CB 3.55Å; I73-A75 PolarHBondContact O-N 3.2Å; A75-I77 VanDerWaalsContact C-N 3.29Å; A75-I77 PolarHBondContact O-N 2.08Å
76	E	22.4	Very low	27.3	Very low	176 Å²	176	135 Å²	135	82%	0.822	74%	0.743	S	S	*	*			trans	-47.7	100.1	159.4	-75.6	177.7	147.2	0	0	108	G74 K78	G74-E76 PolarHBondContact O-N 3.15Å; E76-K78 PolarHBondContact O-N 3.2Å
77	I	26.9	Very low	27.8	Very low	148 Å²	148	134.9 Å²	134.9	76%	0.759	73%	0.734	S	S	*	*			trans	-68.4	93.6	164.8	-60.3	176	0	0	0	103.8	A75 Q79	A75-I77 VanDerWaalsContact C-N 3.29Å; A75-I77 PolarHBondContact O-N 2.08Å; I77-Q79 PolarHBondContact O-N 3.35Å
78	K	22.4	Very low	28.5	Very low	180 Å²	180	133.3 Å²	133.3	78%	0.783	72%	0.716	S	S	*	*			trans	-55.8	98	161.1	-74.7	-175.6	177.2	-177.3	0	105.9	E76 P80	E76-K78 PolarHBondContact O-N 3.2Å; K78-P80 WeakPolarHBondContact O-CD 3.42Å; K78-P80 VanDerWaalsContact O-N 3.17Å
79	Q	28.2	Very low	29.7	Very low	174 Å²	174	128.7 Å²	128.7	81%	0.813	70%	0.699	S	S	*	*			trans	-51.7	123.4	168.2	-79.1	178.3	-22.4	0	0	106.2	I77 A81	I77-Q79 PolarHBondContact O-N 3.35Å; Q79-A81 PolarHBondContact O-N 3.25Å
80	P	25.9	Very low	30.9	Very low	122 Å²	122	130.3 Å²	130.3	79%	0.792	70%	0.696	S	S	*	*			trans	-62	104.9	175.5	22.2	-28.7	0	0	0	107.7	K78 D82	K78-P80 WeakPolarHBondContact O-CD 3.42Å; K78-P80 VanDerWaalsContact O-N 3.17Å; P80-D82 PolarHBondContact O-N 3.47Å
81	A	30.2	Very low	32.1	Very low	99 Å²	99	124.2 Å²	124.2	82%	0.818	68%	0.68	S	S	*	*	S	Bend	trans	-58.7	130.2	163	0	0	0	0	0	107	Q79	Q79-A81 PolarHBondContact O-N 3.25Å
82	D	31.8	Very low	33.6	Very low	153 Å²	153	120 Å²	120	82%	0.818	66%	0.66	S	S	*	*			trans	86.6	67.1	176.4	-152.9	15.4	0	0	0	117	P80	P80-D82 PolarHBondContact O-N 3.47Å
83	R	29	Very low	35	Very low	227 Å²	227	118.6 Å²	118.6	86%	0.857	64%	0.636	S	S	*	*				-137.6	116.1	129.7	-76.6	-167.5	178.2	177.8	-2.2	107.7	V85	R83-V85 PolarHBondContact O-N 3.44Å
84	S	26.4	Very low	36.6	Very low	95 Å²	95	116.8 Å²	116.8	66%	0.664	63%	0.628	S	S	*	*			trans	-47.4	101.7	170.9	59.2	0	0	0	0	110.1	R86	S84-R86 PolarHBondContact O-N 2.99Å
85	V	33.8	Very low	38.3	Very low	115 Å²	115	116.2 Å²	116.2	70%	0.697	60%	0.599	S	S	*	*			trans	-68.6	80.6	170.4	-177.5	0	0	0	0	105.9	R83 E87	R83-V85 PolarHBondContact O-N 3.44Å; V85-E87 PolarHBondContact O-N 3.05Å; V85-E87 VanDerWaalsContact O-N 3.11Å
86	R	37	Very low	40	Very low	190 Å²	190	113.7 Å²	113.7	72%	0.717	58%	0.577	S	S	*	*			trans	-70.5	108.1	167.9	-69.5	-169.4	-174.4	-152.4	2.1	105	S84 R205	S84-R86 PolarHBondContact O-N 2.99Å; R86-R205 PolarHBondContact O-NH1 2.81Å; R86-R205 PolarHBondContact O-NH2 2.81Å
87	E	39.3	Very low	41.8	Very low	120 Å²	120	108.3 Å²	108.3	56%	0.561	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-50.1	160	174.5	-63.6	179.9	154.1	0	0	111.1	V85 F90	V85-E87 PolarHBondContact O-N 3.05Å; V85-E87 VanDerWaalsContact O-N 3.11Å; E87-F90 WeakPolarHBondContact OE2-CZ 3.39Å
88	L	46.9	Very low	43.7	Very low	40 Å²	40	109.3 Å²	109.3	21%	0.209	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-49.6	138	162.6	-92	113.1	0	0	0	107.9	F90 V92 L202	L88-F90 PolarHBondContact O-N 3.18Å; L88-F90 VanDerWaalsContact O-N 3.14Å; L88-V92 HydrophobicContact CD2-CB 4.18Å; L88-V92 HydrophobicContact CD2-CG1 3.65Å; L88-L202 HydrophobicContact CD1-CD1 3.55Å; L88-L202 HydrophobicContact CD2-CD1 3.62Å; L88-L202 HydrophobicContact CG-CD1 3.76Å
89	P	50.5	Low	45.6	Very low	53 Å²	53	104 Å²	104	34%	0.344	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-51.6	129.7	173.5	-18.8	27.1	0	0	0	108.8	S91 V92 R93	P89-S91 PolarHBondContact O-N 3.18Å; P89-V92 HydrophobicContact CB-CG2 4.22Å; P89-V92 HydrophobicContact CG-CG2 4.21Å; P89-V92 PolarHBondContact O-N 3.2Å; P89-R93 PolarHBondContact O-N 2.92Å
90	F	51	Low	47.2	Very low	116 Å²	116	99.4 Å²	99.4	51%	0.509	50%	0.504	S	S	.	.	H	α-helix	trans	-47	-39.4	-177.1	-79.8	-83	0	0	0	112.3	E87 L88 V92 R93 D94	E87-F90 WeakPolarHBondContact OE2-CZ 3.39Å; L88-F90 PolarHBondContact O-N 3.18Å; L88-F90 VanDerWaalsContact O-N 3.14Å; F90-V92 VanDerWaalsContact C-N 3.34Å; F90-V92 PolarHBondContact O-N 3.49Å; F90-R93 PolarHBondContact O-N 3.45Å; F90-D94 WeakPolarHBondContact O-CB 3.24Å; F90-D94 PolarHBondContact O-N 3.27Å
91	S	51	Low	49.4	Very low	85 Å²	85	97.9 Å²	97.9	59%	0.594	50%	0.496	S	S	*	.	H	α-helix	trans	-59	-37.8	176.8	56.1	0	0	0	0	114.6	P89 Y95	P89-S91 PolarHBondContact O-N 3.18Å; S91-Y95 WeakPolarHBondContact O-CB 3.36Å; S91-Y95 PolarHBondContact O-N 3.4Å; S91-Y95 VanDerWaalsContact O-N 3.1Å
92	V	53.9	Low	51.4	Low	38 Å²	38	93.8 Å²	93.8	23%	0.23	46%	0.462	C	S	.	.	H	α-helix	trans	-74.3	-42.8	178.6	179	0	0	0	0	109.9	L88 P89 F90 Y95 I96 F106	L88-V92 HydrophobicContact CD2-CB 4.18Å; L88-V92 HydrophobicContact CD2-CG1 3.65Å; P89-V92 HydrophobicContact CB-CG2 4.22Å; P89-V92 HydrophobicContact CG-CG2 4.21Å; P89-V92 PolarHBondContact O-N 3.2Å; F90-V92 VanDerWaalsContact C-N 3.34Å; F90-V92 PolarHBondContact O-N 3.49Å; V92-Y95 PolarHBondContact O-N 3Å; V92-I96 HydrophobicContact CG1-CD1 3.59Å; V92-I96 HydrophobicContact CG1-CG1 4.24Å; V92-I96 WeakPolarHBondContact O-CB 3.47Å; V92-I96 WeakPolarHBondContact O-CG1 3.1Å; V92-I96 PolarHBondContact O-N 3.42Å; V92-F106 HydrophobicContact CG1-CE2 4.44Å
93	R	53.9	Low	53.1	Low	86 Å²	86	87.4 Å²	87.4	33%	0.325	43%	0.427	S	S	.	.	H	α-helix	trans	-58.8	-54	175.5	-171.5	-174.6	77.7	178.8	6.1	110.6	P89 F90 Y95 I96 F97	P89-R93 PolarHBondContact O-N 2.92Å; F90-R93 PolarHBondContact O-N 3.45Å; R93-Y95 PolarHBondContact O-N 3.28Å; R93-I96 PolarHBondContact O-N 3.16Å; R93-F97 HydrophobicContact CB-CD2 4.41Å; R93-F97 HydrophobicContact CG-CD2 3.52Å; R93-F97 HydrophobicContact CG-CE2 3.72Å; R93-F97 WeakPolarHBondContact O-CB 3.34Å; R93-F97 WeakPolarHBondContact O-CD2 3.44Å; R93-F97 PolarHBondContact O-N 2.93Å
94	D	58.9	Low	55.1	Low	85 Å²	85	78.3 Å²	78.3	46%	0.455	40%	0.397	S	S	.	.	H	α-helix	trans	-65.1	-26.8	-177.7	-63.1	-12	0	0	0	112.1	F90 R98	F90-D94 WeakPolarHBondContact O-CB 3.24Å; F90-D94 PolarHBondContact O-N 3.27Å; D94-R98 WeakPolarHBondContact O-CB 3.21Å; D94-R98 PolarHBondContact O-N 2.77Å
95	Y	59.9	Low	57.4	Low	74 Å²	74	77.3 Å²	77.3	29%	0.29	38%	0.384	S	S	.	.	H	α-helix	trans	-72.6	-56.5	172.2	177.6	-106.5	0	0	0	111.9	S91 V92 R93 F97 R98 S102 L105	S91-Y95 WeakPolarHBondContact O-CB 3.36Å; S91-Y95 PolarHBondContact O-N 3.4Å; S91-Y95 VanDerWaalsContact O-N 3.1Å; V92-Y95 PolarHBondContact O-N 3Å; R93-Y95 PolarHBondContact O-N 3.28Å; Y95-F97 VanDerWaalsContact C-N 3.25Å; Y95-F97 PolarHBondContact O-N 2.93Å; Y95-R98 VanDerWaalsContact O-CB 3.32Å; Y95-R98 WeakPolarHBondContact O-CB 3.36Å; Y95-R98 PolarHBondContact O-N 3.18Å; Y95-R98 VanDerWaalsContact O-N 3.17Å; Y95-S102 WeakPolarHBondContact O-CB 3.31Å; Y95-L105 WeakPolarHBondContact OH-CD2 3.47Å
96	I	61.7	Low	59.4	Low	11 Å²	11	72.6 Å²	72.6	6%	0.056	35%	0.354	C	S	.	.	H	α-helix	trans	-58.1	-41.1	-177.5	-66	170.5	0	0	0	111	V92 R93 L103 F106	V92-I96 HydrophobicContact CG1-CD1 3.59Å; V92-I96 HydrophobicContact CG1-CG1 4.24Å; V92-I96 WeakPolarHBondContact O-CB 3.47Å; V92-I96 WeakPolarHBondContact O-CG1 3.1Å; V92-I96 PolarHBondContact O-N 3.42Å; R93-I96 PolarHBondContact O-N 3.16Å; I96-L103 HydrophobicContact CG2-CD1 3.58Å; I96-L103 WeakPolarHBondContact O-CB 3.3Å; I96-L103 PolarHBondContact O-N 3.01Å; I96-F106 HydrophobicContact CD1-CD1 3.79Å; I96-F106 HydrophobicContact CD1-CD2 3.58Å; I96-F106 HydrophobicContact CD1-CE1 3.74Å; I96-F106 HydrophobicContact CD1-CE2 3.51Å; I96-F106 HydrophobicContact CD1-CG 3.72Å; I96-F106 HydrophobicContact CD1-CZ 3.61Å; I96-F106 HydrophobicContact CG1-CB 3.93Å; I96-F106 HydrophobicContact CG1-CD1 3.98Å; I96-F106 HydrophobicContact CG1-CD2 3.57Å; I96-F106 HydrophobicContact CG1-CE1 4.44Å; I96-F106 HydrophobicContact CG1-CE2 4.06Å; I96-F106 HydrophobicContact CG1-CG 3.53Å; I96-F106 HydrophobicContact CG1-CZ 4.48Å; I96-F106 HydrophobicContact CG2-CD1 4.47Å
97	F	59.1	Low	61.2	Low	64 Å²	64	63.7 Å²	63.7	28%	0.281	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	7	-176.1	-59.1	-63.6	0	0	0	113.9	L22 L26 R93 Y95	L22-F97 HydrophobicContact CD2-CD1 3.97Å; L22-F97 HydrophobicContact CD2-CE1 3.72Å; L26-F97 HydrophobicContact CD1-CB 4.08Å; L26-F97 HydrophobicContact CD1-CD1 3.46Å; L26-F97 VanDerWaalsContact CD1-CD1 3.46Å; L26-F97 HydrophobicContact CD1-CE1 4Å; L26-F97 HydrophobicContact CD1-CG 3.78Å; R93-F97 HydrophobicContact CB-CD2 4.41Å; R93-F97 HydrophobicContact CG-CD2 3.52Å; R93-F97 HydrophobicContact CG-CE2 3.72Å; R93-F97 WeakPolarHBondContact O-CB 3.34Å; R93-F97 WeakPolarHBondContact O-CD2 3.44Å; R93-F97 PolarHBondContact O-N 2.93Å; Y95-F97 VanDerWaalsContact C-N 3.25Å; Y95-F97 PolarHBondContact O-N 2.93Å
98	R	66.1	Low	62.8	Low	168 Å²	168	60.2 Å²	60.2	63%	0.634	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-50.2	177.7	-174	176.4	-66.6	-167.1	-1	111.7	D94 Y95	D94-R98 WeakPolarHBondContact O-CB 3.21Å; D94-R98 PolarHBondContact O-N 2.77Å; Y95-R98 VanDerWaalsContact O-CB 3.32Å; Y95-R98 WeakPolarHBondContact O-CB 3.36Å; Y95-R98 PolarHBondContact O-N 3.18Å; Y95-R98 VanDerWaalsContact O-N 3.17Å
99	D	63.4	Low	64.4	Low	70 Å²	70	61.9 Å²	61.9	37%	0.374	31%	0.312	S	S	.	.			trans	-163.7	168.9	-176.9	59.1	67.1	0	0	0	110.3	S101 S102 L103	D99-S101 PolarHBondContact O-N 3.48Å; D99-S101 VanDerWaalsContact OD1-CA 3.3Å; D99-S101 WeakPolarHBondContact OD1-CA 3.5Å; D99-S101 WeakPolarHBondContact OD1-CB 3.43Å; D99-S101 PolarHBondContact OD1-N 2.95Å; D99-S102 PolarHBondContact O-N 2.8Å; D99-S102 PolarHBondContact OD1-N 3.48Å; D99-S102 PolarHBondContact OD1-OG 3.26Å; D99-S102 VanDerWaalsContact OD1-OG 3.12Å; D99-S102 PolarHBondContact OD2-OG 3.12Å; D99-S102 VanDerWaalsContact OD2-OG 3.13Å; D99-L103 PolarHBondContact O-N 3.43Å; D99-L103 VanDerWaalsContact O-N 3.13Å
100	Q	62	Low	65.7	Low	77 Å²	77	60.7 Å²	60.7	36%	0.36	30%	0.302	S	S	.	.	H	α-helix	trans	-58.2	-34.5	179.5	-173.5	-177.3	9.7	0	0	112.8	G15 A19 S102 V104	G15-Q100 PolarHBondContact O-NE2 3.34Å; A19-Q100 HydrophobicContact CB-CB 4.36Å; Q100-S102 VanDerWaalsContact C-N 3.35Å; Q100-V104 HydrophobicContact CG-CG2 4.44Å; Q100-V104 WeakPolarHBondContact O-CB 3.39Å; Q100-V104 VanDerWaalsContact O-CG2 3.24Å; Q100-V104 WeakPolarHBondContact O-CG2 3.44Å; Q100-V104 PolarHBondContact O-N 2.88Å
101	S	71.8	Confident	67.1	Low	90 Å²	90	55.5 Å²	55.5	63%	0.629	28%	0.281	S	S	*	.	H	α-helix	trans	-69.7	-37.8	-178.6	-53.3	0	0	0	0	110.8	D99 V104 L105	D99-S101 PolarHBondContact O-N 3.48Å; D99-S101 VanDerWaalsContact OD1-CA 3.3Å; D99-S101 WeakPolarHBondContact OD1-CA 3.5Å; D99-S101 WeakPolarHBondContact OD1-CB 3.43Å; D99-S101 PolarHBondContact OD1-N 2.95Å; S101-V104 PolarHBondContact O-N 2.7Å; S101-L105 VanDerWaalsContact O-CB 3.22Å; S101-L105 WeakPolarHBondContact O-CB 3.37Å; S101-L105 PolarHBondContact O-N 3.24Å
102	S	71.4	Confident	68.3	Low	13 Å²	13	51.6 Å²	51.6	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-69.5	-40.3	178.1	-57.3	0	0	0	0	111.6	Y95 D99 Q100 L105 F106	Y95-S102 WeakPolarHBondContact O-CB 3.31Å; D99-S102 PolarHBondContact O-N 2.8Å; D99-S102 PolarHBondContact OD1-N 3.48Å; D99-S102 PolarHBondContact OD1-OG 3.26Å; D99-S102 VanDerWaalsContact OD1-OG 3.12Å; D99-S102 PolarHBondContact OD2-OG 3.12Å; D99-S102 VanDerWaalsContact OD2-OG 3.13Å; Q100-S102 VanDerWaalsContact C-N 3.35Å; S102-L105 PolarHBondContact O-N 3.17Å; S102-F106 WeakPolarHBondContact O-CB 3.21Å; S102-F106 PolarHBondContact O-N 2.73Å
103	L	68.4	Low	69.2	Low	18 Å²	18	49.9 Å²	49.9	9%	0.094	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-49.3	169.7	175.8	62.3	0	0	0	111.3	I18 I96 D99 L105 F106 L107	I18-L103 HydrophobicContact CG2-CD2 3.34Å; I96-L103 HydrophobicContact CG2-CD1 3.58Å; I96-L103 WeakPolarHBondContact O-CB 3.3Å; I96-L103 PolarHBondContact O-N 3.01Å; D99-L103 PolarHBondContact O-N 3.43Å; D99-L103 VanDerWaalsContact O-N 3.13Å; L103-L105 VanDerWaalsContact C-N 3.29Å; L103-L105 PolarHBondContact O-N 2.73Å; L103-F106 PolarHBondContact O-N 2.69Å; L103-L107 HydrophobicContact CD1-CD1 3.94Å; L103-L107 HydrophobicContact CD1-CD2 4.41Å; L103-L107 HydrophobicContact CD1-CG 3.99Å; L103-L107 HydrophobicContact CG-CD1 3.95Å; L103-L107 HydrophobicContact CG-CG 4.36Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.28Å; L103-L107 PolarHBondContact O-N 3.4Å
104	V	70.1	Confident	70.1	Confident	37 Å²	37	46.2 Å²	46.2	22%	0.224	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-42.2	178.9	165.6	0	0	0	0	110.7	Q100 S101 L107 N108	Q100-V104 HydrophobicContact CG-CG2 4.44Å; Q100-V104 WeakPolarHBondContact O-CB 3.39Å; Q100-V104 VanDerWaalsContact O-CG2 3.24Å; Q100-V104 WeakPolarHBondContact O-CG2 3.44Å; Q100-V104 PolarHBondContact O-N 2.88Å; S101-V104 PolarHBondContact O-N 2.7Å; V104-L107 PolarHBondContact O-N 3.04Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.14Å; V104-N108 WeakPolarHBondContact O-CB 3.21Å; V104-N108 PolarHBondContact O-N 3.39Å; V104-N108 PolarHBondContact O-ND2 3.1Å; V104-N108 VanDerWaalsContact O-ND2 3.12Å; V104-N108 PolarHBondContact O-OD1 2.81Å
105	L	76.4	Confident	70.7	Confident	74 Å²	74	43.9 Å²	43.9	39%	0.387	22%	0.218	S	C	.	.	H	α-helix	trans	-62.7	-46.3	176.8	-178.8	53.7	0	0	0	111.2	Y95 S101 S102 L103 N108 E109	Y95-L105 WeakPolarHBondContact OH-CD2 3.47Å; S101-L105 VanDerWaalsContact O-CB 3.22Å; S101-L105 WeakPolarHBondContact O-CB 3.37Å; S101-L105 PolarHBondContact O-N 3.24Å; S102-L105 PolarHBondContact O-N 3.17Å; L103-L105 VanDerWaalsContact C-N 3.29Å; L103-L105 PolarHBondContact O-N 2.73Å; L105-N108 WeakPolarHBondContact O-CB 3.1Å; L105-N108 PolarHBondContact O-N 3.42Å; L105-N108 VanDerWaalsContact O-N 3.16Å; L105-E109 HydrophobicContact CD1-CG 4.22Å; L105-E109 WeakPolarHBondContact O-CG 3.27Å; L105-E109 PolarHBondContact O-N 2.79Å
106	F	75	Confident	71	Confident	16 Å²	16	45.2 Å²	45.2	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-58.2	-51.1	175.1	177.7	-95.9	0	0	0	112.3	V92 I96 S102 L103 N108 E109 H110 F114 L202	V92-F106 HydrophobicContact CG1-CE2 4.44Å; I96-F106 HydrophobicContact CD1-CD1 3.79Å; I96-F106 HydrophobicContact CD1-CD2 3.58Å; I96-F106 HydrophobicContact CD1-CE1 3.74Å; I96-F106 HydrophobicContact CD1-CE2 3.51Å; I96-F106 HydrophobicContact CD1-CG 3.72Å; I96-F106 HydrophobicContact CD1-CZ 3.61Å; I96-F106 HydrophobicContact CG1-CB 3.93Å; I96-F106 HydrophobicContact CG1-CD1 3.98Å; I96-F106 HydrophobicContact CG1-CD2 3.57Å; I96-F106 HydrophobicContact CG1-CE1 4.44Å; I96-F106 HydrophobicContact CG1-CE2 4.06Å; I96-F106 HydrophobicContact CG1-CG 3.53Å; I96-F106 HydrophobicContact CG1-CZ 4.48Å; I96-F106 HydrophobicContact CG2-CD1 4.47Å; S102-F106 WeakPolarHBondContact O-CB 3.21Å; S102-F106 PolarHBondContact O-N 2.73Å; L103-F106 PolarHBondContact O-N 2.69Å; F106-N108 PolarHBondContact O-N 3.27Å; F106-E109 PolarHBondContact O-N 3.48Å; F106-E109 VanDerWaalsContact O-N 3.16Å; F106-H110 AromaticContact CD2-CE1 3.46Å; F106-H110 VanDerWaalsContact CD2-CE1 3.46Å; F106-H110 WeakPolarHBondContact CD2-CE1 3Å; F106-H110 AromaticContact CD2-ND1 3.65Å; F106-H110 AromaticContact CE2-CE1 3.15Å; F106-H110 WeakPolarHBondContact CE2-CE1 3.26Å; F106-H110 AromaticContact CE2-ND1 3.52Å; F106-H110 AromaticContact CE2-NE2 3.65Å; F106-H110 AromaticContact CZ-CE1 3.76Å; F106-H110 AromaticContact CZ-ND1 3.79Å; F106-H110 PolarHBondContact O-N 3.44Å; F106-H110 PolarHBondContact O-ND1 2.72Å; F106-F114 AromaticContact CE1-CE2 3.96Å; F106-F114 HydrophobicContact CE1-CE2 3.96Å; F106-L202 HydrophobicContact CE1-CD2 4.15Å; F106-L202 HydrophobicContact CZ-CD2 3.59Å
107	L	74.5	Confident	71.4	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-32	177.9	-63.5	175.3	0	0	0	111.8	M13 L103 V104 F114 Y122	M13-L107 HydrophobicContact CE-CD1 4.08Å; M13-L107 HydrophobicContact CE-CD2 3.43Å; M13-L107 VanDerWaalsContact CE-CD2 3.43Å; M13-L107 HydrophobicContact CE-CG 4.42Å; L103-L107 HydrophobicContact CD1-CD1 3.94Å; L103-L107 HydrophobicContact CD1-CD2 4.41Å; L103-L107 HydrophobicContact CD1-CG 3.99Å; L103-L107 HydrophobicContact CG-CD1 3.95Å; L103-L107 HydrophobicContact CG-CG 4.36Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.28Å; L103-L107 PolarHBondContact O-N 3.4Å; V104-L107 PolarHBondContact O-N 3.04Å; L107-F114 HydrophobicContact CD2-CB 4.36Å; L107-F114 HydrophobicContact CD2-CD1 3.84Å; L107-F114 HydrophobicContact CD2-CD2 3.59Å; L107-F114 HydrophobicContact CD2-CE1 3.96Å; L107-F114 HydrophobicContact CD2-CE2 3.73Å; L107-F114 HydrophobicContact CD2-CG 3.65Å; L107-F114 HydrophobicContact CD2-CZ 3.9Å; L107-Y122 HydrophobicContact CB-CD1 3.86Å; L107-Y122 HydrophobicContact CB-CE1 3.8Å; L107-Y122 HydrophobicContact CB-CG 4.31Å; L107-Y122 HydrophobicContact CD1-CD1 4.13Å; L107-Y122 HydrophobicContact CD1-CD2 3.6Å; L107-Y122 HydrophobicContact CD1-CE1 4.41Å; L107-Y122 HydrophobicContact CD1-CE2 3.95Å; L107-Y122 HydrophobicContact CD1-CG 3.7Å
108	N	73.8	Confident	71.4	Confident	46 Å²	46	45.6 Å²	45.6	25%	0.246	24%	0.239	C	C	.	.	H	α-helix	trans	-71.5	-37.2	176.8	-75.9	-19.3	0	0	0	113.1	V104 L105 F106 H110 Y122 R178	V104-N108 WeakPolarHBondContact CG1-ND2 3.14Å; V104-N108 WeakPolarHBondContact O-CB 3.21Å; V104-N108 PolarHBondContact O-N 3.39Å; V104-N108 PolarHBondContact O-ND2 3.1Å; V104-N108 VanDerWaalsContact O-ND2 3.12Å; V104-N108 PolarHBondContact O-OD1 2.81Å; L105-N108 WeakPolarHBondContact O-CB 3.1Å; L105-N108 PolarHBondContact O-N 3.42Å; L105-N108 VanDerWaalsContact O-N 3.16Å; F106-N108 PolarHBondContact O-N 3.27Å; N108-H110 VanDerWaalsContact C-N 3.33Å; N108-Y122 PolarHBondContact OD1-OH 2.82Å; N108-R178 VanDerWaalsContact OD1-CZ 3.27Å; N108-R178 PolarHBondContact OD1-NH1 3.17Å; N108-R178 PolarHBondContact OD1-NH2 3.38Å
109	E	80.3	Confident	71.5	Confident	75 Å²	75	42.1 Å²	42.1	35%	0.35	24%	0.241	S	C	.	.	H	α-helix	trans	-72.7	-28.7	176	-72.8	173.3	167.4	0	0	111.6	L105 F106 A111 R191	L105-E109 HydrophobicContact CD1-CG 4.22Å; L105-E109 WeakPolarHBondContact O-CG 3.27Å; L105-E109 PolarHBondContact O-N 2.79Å; F106-E109 PolarHBondContact O-N 3.48Å; F106-E109 VanDerWaalsContact O-N 3.16Å; E109-A111 PolarHBondContact O-N 2.79Å; E109-R191 PolarHBondContact O-NH2 2.92Å
110	H	77.4	Confident	71.4	Confident	28 Å²	28	41.9 Å²	41.9	13%	0.13	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	44.3	-178.9	-58.9	75.6	0	0	0	111.5	F106 N108 H112 V113 F114 D195	F106-H110 AromaticContact CD2-CE1 3.46Å; F106-H110 VanDerWaalsContact CD2-CE1 3.46Å; F106-H110 WeakPolarHBondContact CD2-CE1 3Å; F106-H110 AromaticContact CD2-ND1 3.65Å; F106-H110 AromaticContact CE2-CE1 3.15Å; F106-H110 WeakPolarHBondContact CE2-CE1 3.26Å; F106-H110 AromaticContact CE2-ND1 3.52Å; F106-H110 AromaticContact CE2-NE2 3.65Å; F106-H110 AromaticContact CZ-CE1 3.76Å; F106-H110 AromaticContact CZ-ND1 3.79Å; F106-H110 PolarHBondContact O-N 3.44Å; F106-H110 PolarHBondContact O-ND1 2.72Å; N108-H110 VanDerWaalsContact C-N 3.33Å; H110-H112 PolarHBondContact O-N 2.84Å; H110-V113 PolarHBondContact O-N 2.73Å; H110-F114 HydrophobicContact CB-CD2 3.86Å; H110-F114 HydrophobicContact CB-CE2 4.11Å; H110-F114 PolarHBondContact O-N 3.33Å; H110-D195 IonicContact CD2-OD2 3.81Å; H110-D195 IonicContact NE2-OD2 3.96Å
111	A	80	Confident	71.4	Confident	8 Å²	8	39.6 Å²	39.6	7%	0.066	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.1	-179.5	0	0	0	0	0	114.6	E109 F114 R178 L179	E109-A111 PolarHBondContact O-N 2.79Å; A111-F114 CarbonylContact C-O 3.53Å; A111-F114 WeakPolarHBondContact CA-O 3.49Å; A111-R178 HydrophobicContact CB-CB 4.09Å; A111-L179 HydrophobicContact CB-CD2 4.02Å; A111-L179 HydrophobicContact CB-CG 4.24Å
112	H	76.3	Confident	71.1	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.009	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-13.1	172.6	63	-93.6	0	0	0	113.3	H110 A130 V134 L179 I193 D195	H110-H112 PolarHBondContact O-N 2.84Å; H112-A130 WeakPolarHBondContact O-CA 3.41Å; H112-A130 VanDerWaalsContact O-CB 3.28Å; H112-A130 WeakPolarHBondContact O-CB 3.26Å; H112-V134 HydrophobicContact CB-CG2 3.88Å; H112-L179 HydrophobicContact CB-CD1 4.06Å; H112-L179 HydrophobicContact CB-CD2 4.37Å; H112-I193 HydrophobicContact CB-CD1 3.77Å; H112-D195 IonicContact CE1-OD1 2.66Å; H112-D195 IonicContact CE1-OD2 2.78Å; H112-D195 IonicContact NE2-OD1 3.91Å
113	V	72.6	Confident	70.8	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.018	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-37.2	171.4	174.3	0	0	0	0	111.2	H110 M124 L125 A199 M203	H110-V113 PolarHBondContact O-N 2.73Å; V113-M124 HydrophobicContact CG1-CG 3.97Å; V113-M124 WeakPolarHBondContact O-CA 3.38Å; V113-L125 WeakPolarHBondContact O-CG 3.3Å; V113-L125 PolarHBondContact O-N 3.19Å; V113-A199 HydrophobicContact CG2-CB 3.53Å; V113-M203 HydrophobicContact CG1-CG 3.69Å; V113-M203 HydrophobicContact CG1-SD 3.61Å; V113-M203 HydrophobicContact CG2-SD 4.47Å
114	F	72.2	Confident	70.9	Confident	8 Å²	8	35.3 Å²	35.3	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.7	-175.3	-55.5	-76.3	0	0	0	112.3	M13 F106 L107 H110 A111 S123 M124	M13-F114 HydrophobicContact CE-CD1 3.75Å; M13-F114 HydrophobicContact CE-CE1 3.56Å; M13-F114 HydrophobicContact CE-CZ 4.37Å; F106-F114 AromaticContact CE1-CE2 3.96Å; F106-F114 HydrophobicContact CE1-CE2 3.96Å; L107-F114 HydrophobicContact CD2-CB 4.36Å; L107-F114 HydrophobicContact CD2-CD1 3.84Å; L107-F114 HydrophobicContact CD2-CD2 3.59Å; L107-F114 HydrophobicContact CD2-CE1 3.96Å; L107-F114 HydrophobicContact CD2-CE2 3.73Å; L107-F114 HydrophobicContact CD2-CG 3.65Å; L107-F114 HydrophobicContact CD2-CZ 3.9Å; H110-F114 HydrophobicContact CB-CD2 3.86Å; H110-F114 HydrophobicContact CB-CE2 4.11Å; H110-F114 PolarHBondContact O-N 3.33Å; A111-F114 CarbonylContact C-O 3.53Å; A111-F114 WeakPolarHBondContact CA-O 3.49Å; F114-S123 CarbonylContact C-O 3.52Å; F114-S123 VanDerWaalsContact CA-O 3.24Å; F114-S123 WeakPolarHBondContact CA-O 3.31Å; F114-M124 HydrophobicContact CD1-CB 4.26Å; F114-M124 HydrophobicContact CD1-CG 4.42Å; F114-M124 HydrophobicContact CE1-CB 4.22Å; F114-M124 HydrophobicContact CE1-CG 4.13Å; F114-M124 HydrophobicContact CE1-SD 4.38Å
115	V	71.3	Confident	71	Confident	37 Å²	37	34.2 Å²	34.2	22%	0.224	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.2	170.3	61.9	0	0	0	0	110.2	T117 Y122 S123 L125 Y176	V115-T117 HydrophobicContact CG1-CG2 4.14Å; V115-T117 PolarHBondContact O-N 3.17Å; V115-Y122 CarbonylContact O-C 3.34Å; V115-Y122 WeakPolarHBondContact O-CA 3.37Å; V115-S123 PolarHBondContact N-O 2.83Å; V115-S123 PolarHBondContact O-N 2.89Å; V115-L125 HydrophobicContact CB-CD2 4.1Å; V115-L125 HydrophobicContact CG1-CD2 3.81Å; V115-Y176 HydrophobicContact CB-CE1 4.49Å; V115-Y176 HydrophobicContact CG2-CE1 4.43Å
116	K	67.3	Low	71	Confident	102 Å²	102	33 Å²	33	44%	0.443	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	120.1	173.7	-170.9	174	-178.5	172	0	109.5	G118 S119 C121 Y122	K116-G118 WeakPolarHBondContact CE-O 3.33Å; K116-G118 VanDerWaalsContact CG-O 3.28Å; K116-G118 WeakPolarHBondContact CG-O 3.39Å; K116-S119 WeakPolarHBondContact CE-O 3.43Å; K116-S119 PolarHBondContact NZ-O 3.15Å; K116-C121 CarbonylContact C-O 3.38Å; K116-C121 WeakPolarHBondContact CA-O 3.26Å; K116-Y122 HydrophobicContact CB-CD1 4.14Å; K116-Y122 HydrophobicContact CB-CE1 3.98Å; K116-Y122 HydrophobicContact CD-CE1 4.38Å; K116-Y122 HydrophobicContact CG-CD1 4.44Å; K116-Y122 HydrophobicContact CG-CE1 4.09Å
117	T	69	Low	70.9	Confident	55 Å²	55	38.2 Å²	38.2	34%	0.337	21%	0.21	S	C	.	.			trans	-106.4	-8.1	-178.9	54.1	0	0	0	0	113.9	W53 V115 C121 S123	W53-T117 HydrophobicContact CZ3-CG2 4.05Å; V115-T117 HydrophobicContact CG1-CG2 4.14Å; V115-T117 PolarHBondContact O-N 3.17Å; T117-C121 PolarHBondContact N-O 2.64Å; T117-C121 VanDerWaalsContact OG1-C 3.31Å; T117-C121 VanDerWaalsContact OG1-CB 3.29Å; T117-C121 WeakPolarHBondContact OG1-CB 3.32Å; T117-C121 PolarHBondContact OG1-O 3.31Å; T117-S123 VanDerWaalsContact CG2-OG 3.27Å; T117-S123 WeakPolarHBondContact CG2-OG 3.47Å
118	G	60.9	Low	71.1	Confident	28 Å²	28	44.4 Å²	44.4	29%	0.289	23%	0.233	S	C	.	.	S	Bend	trans	-169.2	-179.2	175.9	0	0	0	0	0	111.8	K116 H120 C121	K116-G118 WeakPolarHBondContact CE-O 3.33Å; K116-G118 VanDerWaalsContact CG-O 3.28Å; K116-G118 WeakPolarHBondContact CG-O 3.39Å; G118-H120 PolarHBondContact O-N 2.99Å; G118-C121 PolarHBondContact N-O 3.3Å; G118-C121 PolarHBondContact O-N 2.76Å; G118-C121 VanDerWaalsContact O-N 3.11Å
119	S	66.4	Low	71.5	Confident	95 Å²	95	43.5 Å²	43.5	66%	0.664	23%	0.23	S	C	*	.	S	Bend	trans	-47.5	-35.4	-175.3	-60.5	0	0	0	0	113.3	K116	K116-S119 WeakPolarHBondContact CE-O 3.43Å; K116-S119 PolarHBondContact NZ-O 3.15Å
120	H	63.1	Low	71.5	Confident	64 Å²	64	39.9 Å²	39.9	30%	0.296	21%	0.213	S	C	.	.	S	Bend	trans	-137.3	16.4	171.3	-50.2	-77.9	0	0	0	113.5	M13 C14 G15 G118	M13-H120 VanDerWaalsContact O-O 3.1Å; C14-H120 CarbonylContact C-O 3.53Å; C14-H120 WeakPolarHBondContact CA-O 3.45Å; G15-H120 VanDerWaalsContact CA-CB 3.45Å; G15-H120 PolarHBondContact N-O 3.38Å; G118-H120 PolarHBondContact O-N 2.99Å
121	C	60.6	Low	71.8	Confident	29 Å²	29	39.8 Å²	39.8	20%	0.196	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.8	-178.8	-58.7	0	0	0	0	110.4	I12 M13 C14 K116 T117 G118	I12-C121 HydrophobicContact CG2-CB 4.37Å; M13-C121 CarbonylContact O-C 3.41Å; M13-C121 WeakPolarHBondContact O-CA 3.21Å; C14-C121 HydrophobicContact CB-CB 4.22Å; C14-C121 WeakPolarHBondContact CB-SG 3.22Å; C14-C121 WeakPolarHBondContact SG-CB 3.03Å; C14-C121 CovalentContact SG-SG 2.05Å; C14-C121 PolarHBondContact SG-SG 2.65Å; K116-C121 CarbonylContact C-O 3.38Å; K116-C121 WeakPolarHBondContact CA-O 3.26Å; T117-C121 PolarHBondContact N-O 2.64Å; T117-C121 VanDerWaalsContact OG1-C 3.31Å; T117-C121 VanDerWaalsContact OG1-CB 3.29Å; T117-C121 WeakPolarHBondContact OG1-CB 3.32Å; T117-C121 PolarHBondContact OG1-O 3.31Å; G118-C121 PolarHBondContact N-O 3.3Å; G118-C121 PolarHBondContact O-N 2.76Å; G118-C121 VanDerWaalsContact O-N 3.11Å
122	Y	66.3	Low	72.2	Confident	5 Å²	5	39.6 Å²	39.6	2%	0.02	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.7	-178.8	-67.3	-96.3	0	0	0	110.2	I12 M13 L107 N108 V115 K116	I12-Y122 CarbonylContact C-O 3.49Å; I12-Y122 VanDerWaalsContact CA-O 3.26Å; I12-Y122 WeakPolarHBondContact CA-O 3.34Å; M13-Y122 PolarHBondContact N-O 2.81Å; M13-Y122 PolarHBondContact O-N 2.83Å; L107-Y122 HydrophobicContact CB-CD1 3.86Å; L107-Y122 HydrophobicContact CB-CE1 3.8Å; L107-Y122 HydrophobicContact CB-CG 4.31Å; L107-Y122 HydrophobicContact CD1-CD1 4.13Å; L107-Y122 HydrophobicContact CD1-CD2 3.6Å; L107-Y122 HydrophobicContact CD1-CE1 4.41Å; L107-Y122 HydrophobicContact CD1-CE2 3.95Å; L107-Y122 HydrophobicContact CD1-CG 3.7Å; N108-Y122 PolarHBondContact OD1-OH 2.82Å; V115-Y122 CarbonylContact O-C 3.34Å; V115-Y122 WeakPolarHBondContact O-CA 3.37Å; K116-Y122 HydrophobicContact CB-CD1 4.14Å; K116-Y122 HydrophobicContact CB-CE1 3.98Å; K116-Y122 HydrophobicContact CD-CE1 4.38Å; K116-Y122 HydrophobicContact CG-CD1 4.44Å; K116-Y122 HydrophobicContact CG-CE1 4.09Å
123	S	64.9	Low	72.9	Confident	13 Å²	13	39.5 Å²	39.5	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141	171.2	-62.4	0	0	0	0	112.5	T11 I12 F114 V115 T117	T11-S123 CarbonylContact O-C 3.41Å; T11-S123 WeakPolarHBondContact O-CA 3.49Å; T11-S123 VanDerWaalsContact O-CB 3.27Å; T11-S123 WeakPolarHBondContact O-CB 3.19Å; T11-S123 PolarHBondContact O-OG 3.41Å; I12-S123 VanDerWaalsContact CG1-OG 3.31Å; I12-S123 WeakPolarHBondContact CG1-OG 3.39Å; F114-S123 CarbonylContact C-O 3.52Å; F114-S123 VanDerWaalsContact CA-O 3.24Å; F114-S123 WeakPolarHBondContact CA-O 3.31Å; V115-S123 PolarHBondContact N-O 2.83Å; V115-S123 PolarHBondContact O-N 2.89Å; T117-S123 VanDerWaalsContact CG2-OG 3.27Å; T117-S123 WeakPolarHBondContact CG2-OG 3.47Å
124	M	70.4	Confident	73.7	Confident	14 Å²	14	39.7 Å²	39.7	7%	0.069	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.6	167.5	-165.3	168.6	77.3	0	0	109	I9 T11 V113 F114 M203	I9-M124 VanDerWaalsContact O-CE 3.28Å; I9-M124 WeakPolarHBondContact O-CE 3.5Å; T11-M124 PolarHBondContact O-N 2.78Å; V113-M124 HydrophobicContact CG1-CG 3.97Å; V113-M124 WeakPolarHBondContact O-CA 3.38Å; F114-M124 HydrophobicContact CD1-CB 4.26Å; F114-M124 HydrophobicContact CD1-CG 4.42Å; F114-M124 HydrophobicContact CE1-CB 4.22Å; F114-M124 HydrophobicContact CE1-CG 4.13Å; F114-M124 HydrophobicContact CE1-SD 4.38Å; M124-M203 HydrophobicContact CE-CB 4.23Å; M124-M203 HydrophobicContact CE-CG 4.37Å; M124-M203 HydrophobicContact CE-SD 4.49Å; M124-M203 HydrophobicContact CG-CG 4.17Å; M124-M203 HydrophobicContact CG-SD 3.85Å; M124-M203 HydrophobicContact SD-CB 3.94Å; M124-M203 HydrophobicContact SD-CG 3.56Å; M124-M203 VanDerWaalsContact SD-CG 3.56Å; M124-M203 HydrophobicContact SD-SD 3.97Å
125	L	72.9	Confident	74.7	Confident	13 Å²	13	43.5 Å²	43.5	7%	0.068	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-74.8	147.1	175.8	-62	176.4	0	0	0	109.8	V113 V115 T129 A130 L133 Y176	V113-L125 WeakPolarHBondContact O-CG 3.3Å; V113-L125 PolarHBondContact O-N 3.19Å; V115-L125 HydrophobicContact CB-CD2 4.1Å; V115-L125 HydrophobicContact CG1-CD2 3.81Å; L125-T129 HydrophobicContact CD1-CG2 4.36Å; L125-T129 HydrophobicContact CD2-CG2 4.22Å; L125-A130 HydrophobicContact CB-CB 4.21Å; L125-L133 HydrophobicContact CD1-CD1 3.45Å; L125-L133 VanDerWaalsContact CD1-CD1 3.45Å; L125-Y176 HydrophobicContact CD1-CE1 3.92Å; L125-Y176 HydrophobicContact CD2-CE1 4.01Å
126	N	74.9	Confident	75.8	Confident	48 Å²	48	41.8 Å²	41.8	26%	0.257	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-64.2	153.2	167.1	62.6	60.2	0	0	0	110.6	R128 T129 A130	N126-R128 PolarHBondContact O-N 2.8Å; N126-R128 PolarHBondContact OD1-N 3.39Å; N126-T129 PolarHBondContact ND2-OG1 2.95Å; N126-T129 PolarHBondContact O-N 2.87Å; N126-T129 VanDerWaalsContact O-N 3.1Å; N126-T129 VanDerWaalsContact OD1-CB 3.26Å; N126-T129 WeakPolarHBondContact OD1-CB 3.28Å; N126-T129 PolarHBondContact OD1-N 3.25Å; N126-T129 PolarHBondContact OD1-OG1 3.24Å; N126-A130 PolarHBondContact O-N 2.91Å
127	E	72.9	Confident	77.1	Confident	127 Å²	127	37 Å²	37	59%	0.593	20%	0.2	S	C	*	.	H	α-helix	trans	-53.7	-40.3	-176.1	-173.6	-174	170.1	0	0	112.3	A130 S131	E127-A130 PolarHBondContact O-N 2.88Å; E127-S131 WeakPolarHBondContact O-CB 3.38Å; E127-S131 PolarHBondContact O-N 3.43Å
128	R	79.3	Confident	78.3	Confident	132 Å²	132	35.4 Å²	35.4	50%	0.498	19%	0.19	S	C	.	.	H	α-helix	trans	-62.8	-46.4	180	-171.3	173.8	-173.7	-170.7	-4.7	112.1	N126 L132 D160	N126-R128 PolarHBondContact O-N 2.8Å; N126-R128 PolarHBondContact OD1-N 3.39Å; R128-L132 WeakPolarHBondContact O-CB 3.49Å; R128-L132 PolarHBondContact O-N 3.05Å; R128-D160 IonicContact CZ-OD1 3.57Å; R128-D160 IonicContact CZ-OD2 3.99Å; R128-D160 IonicContact NH2-OD1 3.68Å; R128-D160 PolarHBondContact NH2-OD1 2.8Å; R128-D160 IonicContact NH2-OD2 3.64Å
129	T	81.4	Confident	79.9	Confident	27 Å²	27	35.5 Å²	35.5	17%	0.166	19%	0.186	C	C	.	.	H	α-helix	trans	-66.9	-45.4	178.5	-57.1	0	0	0	0	110.5	L125 N126 L132 L133 F172 Y176	L125-T129 HydrophobicContact CD1-CG2 4.36Å; L125-T129 HydrophobicContact CD2-CG2 4.22Å; N126-T129 PolarHBondContact ND2-OG1 2.95Å; N126-T129 PolarHBondContact O-N 2.87Å; N126-T129 VanDerWaalsContact O-N 3.1Å; N126-T129 VanDerWaalsContact OD1-CB 3.26Å; N126-T129 WeakPolarHBondContact OD1-CB 3.28Å; N126-T129 PolarHBondContact OD1-N 3.25Å; N126-T129 PolarHBondContact OD1-OG1 3.24Å; T129-L132 PolarHBondContact O-N 3.16Å; T129-L133 HydrophobicContact CG2-CD1 4.25Å; T129-L133 VanDerWaalsContact O-CG 3.3Å; T129-L133 WeakPolarHBondContact O-CG 3.5Å; T129-L133 PolarHBondContact O-N 2.81Å; T129-F172 HydrophobicContact CG2-CE2 4.13Å; T129-F172 HydrophobicContact CG2-CZ 4.04Å; T129-Y176 WeakPolarHBondContact CG2-OH 3.35Å
130	A	81.9	Confident	81.4	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-46.4	178.4	0	0	0	0	0	111.2	H112 L125 N126 E127 L132 L133 V134 F196	H112-A130 WeakPolarHBondContact O-CA 3.41Å; H112-A130 VanDerWaalsContact O-CB 3.28Å; H112-A130 WeakPolarHBondContact O-CB 3.26Å; L125-A130 HydrophobicContact CB-CB 4.21Å; N126-A130 PolarHBondContact O-N 2.91Å; E127-A130 PolarHBondContact O-N 2.88Å; A130-L132 PolarHBondContact O-N 3.16Å; A130-L133 PolarHBondContact O-N 3.02Å; A130-V134 WeakPolarHBondContact O-CG2 3.14Å; A130-V134 PolarHBondContact O-N 3.38Å; A130-F196 HydrophobicContact CB-CE2 3.68Å; A130-F196 HydrophobicContact CB-CZ 4.11Å
131	S	82.2	Confident	83	Confident	26 Å²	26	32.4 Å²	32.4	18%	0.182	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-45.3	176.9	-177.3	0	0	0	0	111.8	E127 L133 V134 H135 F196	E127-S131 WeakPolarHBondContact O-CB 3.38Å; E127-S131 PolarHBondContact O-N 3.43Å; S131-L133 PolarHBondContact O-N 3.42Å; S131-V134 PolarHBondContact O-N 2.83Å; S131-H135 WeakPolarHBondContact O-CB 3.24Å; S131-H135 PolarHBondContact O-N 2.92Å; S131-H135 PolarHBondContact O-ND1 2.88Å; S131-H135 PolarHBondContact OG-CE1 2.9Å; S131-H135 PolarHBondContact OG-ND1 3.47Å; S131-F196 VanDerWaalsContact N-CZ 3.33Å
132	L	88.8	Confident	84.6	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-59.1	-47.5	176.3	177.2	64.5	0	0	0	111.7	R128 T129 A130 V134 H135 L136 A156 I159 F163 F172	R128-L132 WeakPolarHBondContact O-CB 3.49Å; R128-L132 PolarHBondContact O-N 3.05Å; T129-L132 PolarHBondContact O-N 3.16Å; A130-L132 PolarHBondContact O-N 3.16Å; L132-V134 VanDerWaalsContact C-N 3.32Å; L132-V134 PolarHBondContact O-N 3.26Å; L132-H135 PolarHBondContact O-N 3.36Å; L132-L136 HydrophobicContact CD1-CD1 3.82Å; L132-L136 HydrophobicContact CD1-CG 4.07Å; L132-L136 HydrophobicContact CG-CD1 3.87Å; L132-L136 HydrophobicContact CG-CG 4.47Å; L132-L136 WeakPolarHBondContact O-CB 3.47Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.28Å; L132-L136 PolarHBondContact O-N 2.87Å; L132-A156 HydrophobicContact CD1-CB 4.41Å; L132-I159 HydrophobicContact CB-CG2 4.2Å; L132-I159 HydrophobicContact CD1-CB 3.92Å; L132-I159 HydrophobicContact CD1-CD1 4.07Å; L132-I159 HydrophobicContact CD1-CG2 3.97Å; L132-F163 HydrophobicContact CD2-CD2 4.01Å; L132-F163 HydrophobicContact CD2-CE2 3.26Å; L132-F163 HydrophobicContact CD2-CZ 3.86Å; L132-F172 HydrophobicContact CD2-CE1 3.72Å; L132-F172 HydrophobicContact CD2-CZ 3.76Å; L132-F172 HydrophobicContact CG-CE1 4.24Å; L132-F172 HydrophobicContact CG-CZ 4.47Å
133	L	91.2	Very high	85.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-42.2	178.5	-66.9	168.9	0	0	0	111.6	L125 T129 A130 S131 N137 F172 L173 Y176 L179 F180	L125-L133 HydrophobicContact CD1-CD1 3.45Å; L125-L133 VanDerWaalsContact CD1-CD1 3.45Å; T129-L133 HydrophobicContact CG2-CD1 4.25Å; T129-L133 VanDerWaalsContact O-CG 3.3Å; T129-L133 WeakPolarHBondContact O-CG 3.5Å; T129-L133 PolarHBondContact O-N 2.81Å; A130-L133 PolarHBondContact O-N 3.02Å; S131-L133 PolarHBondContact O-N 3.42Å; L133-N137 WeakPolarHBondContact O-CB 3.32Å; L133-N137 PolarHBondContact O-N 2.98Å; L133-F172 HydrophobicContact CD2-CE1 3.58Å; L133-F172 HydrophobicContact CD2-CZ 3.8Å; L133-F172 HydrophobicContact CG-CE1 4.34Å; L133-F172 HydrophobicContact CG-CZ 4.18Å; L133-L173 HydrophobicContact CD2-CD2 4.44Å; L133-Y176 HydrophobicContact CD1-CD1 3.69Å; L133-Y176 HydrophobicContact CD1-CD2 4.27Å; L133-Y176 HydrophobicContact CD1-CE1 3.62Å; L133-Y176 HydrophobicContact CD1-CE2 4.2Å; L133-Y176 HydrophobicContact CD1-CG 4.02Å; L133-Y176 HydrophobicContact CD2-CD1 4.22Å; L133-Y176 HydrophobicContact CD2-CD2 3.44Å; L133-Y176 VanDerWaalsContact CD2-CD2 3.44Å; L133-Y176 HydrophobicContact CD2-CE2 3.8Å; L133-Y176 HydrophobicContact CD2-CG 3.67Å; L133-Y176 HydrophobicContact CG-CD2 4.48Å; L133-L179 HydrophobicContact CB-CD1 4.15Å; L133-L179 HydrophobicContact CD1-CD1 4.27Å; L133-F180 HydrophobicContact CB-CE2 4.47Å; L133-F180 HydrophobicContact CD2-CE2 3.7Å; L133-F180 HydrophobicContact CD2-CZ 4.49Å; L133-F180 WeakPolarHBondContact O-CZ 3.4Å
134	V	90	Very high	87.3	Confident	6 Å²	6	46.5 Å²	46.5	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-46.3	177.9	170.2	0	0	0	0	111.8	H112 A130 S131 L132 L136 N137 N138 I193 F196	H112-V134 HydrophobicContact CB-CG2 3.88Å; A130-V134 WeakPolarHBondContact O-CG2 3.14Å; A130-V134 PolarHBondContact O-N 3.38Å; S131-V134 PolarHBondContact O-N 2.83Å; L132-V134 VanDerWaalsContact C-N 3.32Å; L132-V134 PolarHBondContact O-N 3.26Å; V134-L136 PolarHBondContact O-N 2.87Å; V134-N137 PolarHBondContact O-N 3.45Å; V134-N138 WeakPolarHBondContact O-CB 3.35Å; V134-N138 PolarHBondContact O-N 3.35Å; V134-I193 HydrophobicContact CG1-CB 4.22Å; V134-I193 HydrophobicContact CG1-CG2 4.14Å; V134-I193 HydrophobicContact CG2-CB 4.36Å; V134-I193 HydrophobicContact CG2-CD1 4.01Å; V134-I193 HydrophobicContact CG2-CG2 3.82Å; V134-F196 HydrophobicContact CB-CB 4.39Å; V134-F196 HydrophobicContact CB-CD1 4.43Å; V134-F196 HydrophobicContact CB-CD2 4.25Å; V134-F196 HydrophobicContact CB-CG 4.09Å; V134-F196 HydrophobicContact CG1-CB 3.8Å; V134-F196 HydrophobicContact CG1-CD1 4.27Å; V134-F196 HydrophobicContact CG1-CG 3.96Å; V134-F196 HydrophobicContact CG2-CB 3.99Å; V134-F196 HydrophobicContact CG2-CD1 4.47Å; V134-F196 HydrophobicContact CG2-CD2 3.46Å; V134-F196 VanDerWaalsContact CG2-CD2 3.46Å; V134-F196 HydrophobicContact CG2-CE2 4.02Å; V134-F196 HydrophobicContact CG2-CG 3.71Å
135	H	92	Very high	88.5	Confident	89 Å²	89	48.5 Å²	48.5	41%	0.412	25%	0.246	S	C	.	.	H	α-helix	trans	-61.9	-44	178.5	-79.4	82.4	0	0	0	112	S131 L132 S139 I159	S131-H135 WeakPolarHBondContact O-CB 3.24Å; S131-H135 PolarHBondContact O-N 2.92Å; S131-H135 PolarHBondContact O-ND1 2.88Å; S131-H135 PolarHBondContact OG-CE1 2.9Å; S131-H135 PolarHBondContact OG-ND1 3.47Å; L132-H135 PolarHBondContact O-N 3.36Å; H135-S139 VanDerWaalsContact O-CB 3.31Å; H135-S139 WeakPolarHBondContact O-CB 3.42Å; H135-S139 PolarHBondContact O-N 2.8Å; H135-S139 PolarHBondContact O-OG 3.02Å; H135-I159 HydrophobicContact CB-CD1 3.23Å; H135-I159 VanDerWaalsContact CG-CD1 3.44Å
136	L	95.1	Very high	89.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-48.2	176.2	-69.4	172.6	0	0	0	110.7	L132 V134 N138 S139 V140 L152 V155 A156 L169 L173 F180	L132-L136 HydrophobicContact CD1-CD1 3.82Å; L132-L136 HydrophobicContact CD1-CG 4.07Å; L132-L136 HydrophobicContact CG-CD1 3.87Å; L132-L136 HydrophobicContact CG-CG 4.47Å; L132-L136 WeakPolarHBondContact O-CB 3.47Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.28Å; L132-L136 PolarHBondContact O-N 2.87Å; V134-L136 PolarHBondContact O-N 2.87Å; L136-N138 PolarHBondContact O-N 3.38Å; L136-S139 WeakPolarHBondContact O-CB 3.15Å; L136-S139 PolarHBondContact O-N 2.8Å; L136-V140 WeakPolarHBondContact O-CG2 3.28Å; L136-V140 PolarHBondContact O-N 3.05Å; L136-L152 HydrophobicContact CD2-CB 4.21Å; L136-L152 HydrophobicContact CD2-CD2 4.39Å; L136-V155 HydrophobicContact CD2-CB 4.12Å; L136-V155 HydrophobicContact CD2-CG1 3.92Å; L136-A156 HydrophobicContact CD2-CB 4.15Å; L136-L169 HydrophobicContact CD1-CD1 3.93Å; L136-L173 HydrophobicContact CD1-CD2 3.92Å; L136-F180 HydrophobicContact CB-CE1 4.12Å; L136-F180 HydrophobicContact CB-CZ 3.96Å
137	N	94.8	Very high	90.8	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.011	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-50	178.8	179.2	89.7	0	0	0	111.7	L133 V134 S139 V140 W141 F180 V189 R191 I193	L133-N137 WeakPolarHBondContact O-CB 3.32Å; L133-N137 PolarHBondContact O-N 2.98Å; V134-N137 PolarHBondContact O-N 3.45Å; N137-S139 VanDerWaalsContact C-N 3.29Å; N137-S139 PolarHBondContact O-N 3.29Å; N137-V140 PolarHBondContact O-N 3Å; N137-W141 WeakPolarHBondContact O-CB 3.2Å; N137-W141 PolarHBondContact O-N 2.94Å; N137-F180 HydrophobicContact CB-CE1 4.06Å; N137-F180 HydrophobicContact CB-CZ 3.89Å; N137-V189 WeakPolarHBondContact OD1-CB 3.22Å; N137-V189 WeakPolarHBondContact OD1-CG1 2.93Å; N137-R191 PolarHBondContact ND2-O 3.28Å; N137-I193 HydrophobicContact CB-CD1 3.82Å
138	N	94.3	Very high	91.9	Very high	21 Å²	21	45.9 Å²	45.9	11%	0.112	24%	0.244	C	C	.	.	H	α-helix	trans	-69.1	-28.4	-178.9	-71.4	-10.6	0	0	0	112.6	V134 L136 R142 I193	V134-N138 WeakPolarHBondContact O-CB 3.35Å; V134-N138 PolarHBondContact O-N 3.35Å; L136-N138 PolarHBondContact O-N 3.38Å; N138-R142 WeakPolarHBondContact O-CB 3.02Å; N138-R142 WeakPolarHBondContact O-CD 3.4Å; N138-R142 WeakPolarHBondContact O-CG 3.32Å; N138-R142 PolarHBondContact O-N 3.17Å; N138-I193 PolarHBondContact ND2-O 3.32Å; N138-I193 PolarHBondContact OD1-N 3.14Å
139	S	95.3	Very high	92.7	Very high	31 Å²	31	39.9 Å²	39.9	22%	0.217	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-47.1	171.9	-60.5	0	0	0	0	111.2	H135 L136 N137 W141 R142 S143	H135-S139 VanDerWaalsContact O-CB 3.31Å; H135-S139 WeakPolarHBondContact O-CB 3.42Å; H135-S139 PolarHBondContact O-N 2.8Å; H135-S139 PolarHBondContact O-OG 3.02Å; L136-S139 WeakPolarHBondContact O-CB 3.15Å; L136-S139 PolarHBondContact O-N 2.8Å; N137-S139 VanDerWaalsContact C-N 3.29Å; N137-S139 PolarHBondContact O-N 3.29Å; S139-W141 VanDerWaalsContact C-N 3.33Å; S139-W141 PolarHBondContact O-N 3.43Å; S139-R142 PolarHBondContact O-N 3.45Å; S139-S143 PolarHBondContact O-N 3.37Å; S139-S143 PolarHBondContact O-OG 3.42Å
140	V	97.1	Very high	93.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-45.1	175.1	-177	0	0	0	0	110.8	L136 N137 R142 S143 N145 V147 L152 V187 V189	L136-V140 WeakPolarHBondContact O-CG2 3.28Å; L136-V140 PolarHBondContact O-N 3.05Å; N137-V140 PolarHBondContact O-N 3Å; V140-R142 PolarHBondContact O-N 2.82Å; V140-S143 PolarHBondContact O-N 2.77Å; V140-N145 WeakPolarHBondContact O-CA 3.22Å; V140-N145 PolarHBondContact O-N 2.97Å; V140-V147 HydrophobicContact CB-CG2 4.34Å; V140-V147 HydrophobicContact CG1-CG2 4.1Å; V140-V147 HydrophobicContact CG2-CG2 3.78Å; V140-L152 HydrophobicContact CG2-CD1 3.65Å; V140-L152 HydrophobicContact CG2-CD2 3.82Å; V140-L152 HydrophobicContact CG2-CG 4.31Å; V140-V187 WeakPolarHBondContact CG1-O 3.4Å; V140-V187 HydrophobicContact CG2-CG1 4.11Å; V140-V189 HydrophobicContact CB-CB 4.48Å; V140-V189 HydrophobicContact CB-CG1 3.82Å; V140-V189 HydrophobicContact CB-CG2 3.85Å; V140-V189 HydrophobicContact CG1-CB 4.34Å; V140-V189 HydrophobicContact CG1-CG1 3.91Å; V140-V189 HydrophobicContact CG1-CG2 3.74Å; V140-V189 HydrophobicContact CG2-CG1 4.2Å
141	W	95.7	Very high	94	Very high	94 Å²	94	45.7 Å²	45.7	36%	0.356	26%	0.26	S	S	.	.	H	α-helix	trans	-58.2	-49.2	178.6	-177.7	-99.1	0	0	0	112	N137 S139 S143 G144 N145 V189 G190 R191	N137-W141 WeakPolarHBondContact O-CB 3.2Å; N137-W141 PolarHBondContact O-N 2.94Å; S139-W141 VanDerWaalsContact C-N 3.33Å; S139-W141 PolarHBondContact O-N 3.43Å; W141-S143 PolarHBondContact O-N 3.37Å; W141-G144 PolarHBondContact O-N 3Å; W141-N145 HydrophobicContact CE3-CB 4.36Å; W141-N145 VanDerWaalsContact CZ3-CG 3.41Å; W141-N145 VanDerWaalsContact CZ3-ND2 3.29Å; W141-N145 WeakPolarHBondContact CZ3-ND2 3.12Å; W141-N145 WeakPolarHBondContact CZ3-OD1 3.48Å; W141-N145 PolarHBondContact O-N 3.19Å; W141-N145 PolarHBondContact O-OD1 3.37Å; W141-V189 HydrophobicContact CB-CG2 4.07Å; W141-V189 HydrophobicContact CE3-CG2 4.23Å; W141-G190 WeakPolarHBondContact CZ3-O 3.5Å; W141-R191 VanDerWaalsContact CE3-C 3.42Å; W141-R191 VanDerWaalsContact CE3-CA 3.42Å
142	R	94.7	Very high	94.6	Very high	204 Å²	204	44.6 Å²	44.6	77%	0.77	25%	0.252	S	S	*	.	H	α-helix	trans	-61.7	-25.2	178.5	-74	170.8	-174	173.3	3.1	113.4	N138 S139 V140 G144	N138-R142 WeakPolarHBondContact O-CB 3.02Å; N138-R142 WeakPolarHBondContact O-CD 3.4Å; N138-R142 WeakPolarHBondContact O-CG 3.32Å; N138-R142 PolarHBondContact O-N 3.17Å; S139-R142 PolarHBondContact O-N 3.45Å; V140-R142 PolarHBondContact O-N 2.82Å; R142-G144 VanDerWaalsContact C-N 3.32Å
143	S	94.3	Very high	94.9	Very high	82 Å²	82	45.7 Å²	45.7	57%	0.573	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	12.7	177.1	-63.9	0	0	0	0	114.1	S139 V140 W141	S139-S143 PolarHBondContact O-N 3.37Å; S139-S143 PolarHBondContact O-OG 3.42Å; V140-S143 PolarHBondContact O-N 2.77Å; W141-S143 PolarHBondContact O-N 3.37Å
144	G	94.5	Very high	94.9	Very high	57 Å²	57	48.7 Å²	48.7	59%	0.588	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	28.1	178.5	0	0	0	0	0	114	W141 R142 S146	W141-G144 PolarHBondContact O-N 3Å; R142-G144 VanDerWaalsContact C-N 3.32Å; G144-S146 PolarHBondContact O-N 2.99Å; G144-S146 VanDerWaalsContact O-N 3.09Å
145	N	96.1	Very high	95	Very high	56 Å²	56	49.8 Å²	49.8	30%	0.299	29%	0.286	S	S	.	.	S	Bend	trans	70.6	-2.8	172.2	-50.5	-16.5	0	0	0	115.7	V140 W141 T188 V189	V140-N145 WeakPolarHBondContact O-CA 3.22Å; V140-N145 PolarHBondContact O-N 2.97Å; W141-N145 HydrophobicContact CE3-CB 4.36Å; W141-N145 VanDerWaalsContact CZ3-CG 3.41Å; W141-N145 VanDerWaalsContact CZ3-ND2 3.29Å; W141-N145 WeakPolarHBondContact CZ3-ND2 3.12Å; W141-N145 WeakPolarHBondContact CZ3-OD1 3.48Å; W141-N145 PolarHBondContact O-N 3.19Å; W141-N145 PolarHBondContact O-OD1 3.37Å; N145-T188 VanDerWaalsContact O-CA 3.26Å; N145-T188 WeakPolarHBondContact O-CA 3.15Å; N145-T188 WeakPolarHBondContact O-CG2 3.27Å; N145-V189 PolarHBondContact O-N 3.24Å
146	S	97.7	Very high	95	Very high	56 Å²	56	45.5 Å²	45.5	39%	0.392	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	128.2	177	-69.3	0	0	0	0	110.7	G144 V187 T188	G144-S146 PolarHBondContact O-N 2.99Å; G144-S146 VanDerWaalsContact O-N 3.09Å; S146-V187 VanDerWaalsContact CA-O 3.3Å; S146-V187 WeakPolarHBondContact CA-O 3.46Å; S146-T188 WeakPolarHBondContact OG-CG2 3.32Å; S146-T188 PolarHBondContact OG-OG1 3.03Å
147	V	97.2	Very high	94.9	Very high	11 Å²	11	47.9 Å²	47.9	7%	0.067	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.7	179.9	-58.9	0	0	0	0	111.5	V140 I149 L152 I186 V187	V140-V147 HydrophobicContact CB-CG2 4.34Å; V140-V147 HydrophobicContact CG1-CG2 4.1Å; V140-V147 HydrophobicContact CG2-CG2 3.78Å; V147-I149 PolarHBondContact O-N 3.41Å; V147-L152 HydrophobicContact CG2-CD1 3.96Å; V147-L152 HydrophobicContact CG2-CD2 3.93Å; V147-L152 HydrophobicContact CG2-CG 3.8Å; V147-I186 WeakPolarHBondContact O-CA 3.29Å; V147-V187 PolarHBondContact N-O 3.06Å; V147-V187 PolarHBondContact O-N 3.24Å
148	P	97.3	Very high	94.6	Very high	66 Å²	66	55.3 Å²	55.3	43%	0.429	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	135.7	167.7	-20.9	33.2	0	0	0	111.1	T150 S151 G185 I186	P148-T150 PolarHBondContact O-N 2.97Å; P148-T150 VanDerWaalsContact O-N 3.07Å; P148-S151 PolarHBondContact O-N 3.07Å; P148-S151 PolarHBondContact O-OG 3.48Å; P148-G185 WeakPolarHBondContact CA-O 3.03Å; P148-I186 HydrophobicContact CB-CD1 4.28Å; P148-I186 HydrophobicContact CG-CD1 4.13Å
149	I	96.2	Very high	94.2	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.026	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-58.2	-27.7	179.7	-170.4	161.7	0	0	0	112.8	V147 S151 L152 T166 L169 E170 G185 V187	V147-I149 PolarHBondContact O-N 3.41Å; I149-S151 VanDerWaalsContact C-N 3.25Å; I149-S151 PolarHBondContact O-N 3.37Å; I149-L152 PolarHBondContact O-N 3.13Å; I149-L152 VanDerWaalsContact O-N 3.09Å; I149-T166 HydrophobicContact CB-CG2 4.32Å; I149-T166 HydrophobicContact CD1-CG2 4.39Å; I149-T166 HydrophobicContact CG1-CG2 4.16Å; I149-T166 HydrophobicContact CG2-CG2 3.32Å; I149-L169 HydrophobicContact CG1-CD2 4.18Å; I149-L169 HydrophobicContact CG1-CG 4.39Å; I149-E170 VanDerWaalsContact CD1-CA 3.47Å; I149-E170 HydrophobicContact CD1-CB 3.51Å; I149-E170 HydrophobicContact CD1-CG 3.84Å; I149-G185 WeakPolarHBondContact CG2-O 3.26Å; I149-G185 PolarHBondContact N-O 3.19Å; I149-V187 HydrophobicContact CB-CG2 3.74Å; I149-V187 HydrophobicContact CD1-CG2 4.1Å; I149-V187 HydrophobicContact CG1-CG2 3.9Å
150	T	95.4	Very high	93.8	Very high	92 Å²	92	56.3 Å²	56.3	56%	0.564	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-61.2	-32.1	176.7	52	0	0	0	0	112.6	P148 L152 V153 T166	P148-T150 PolarHBondContact O-N 2.97Å; P148-T150 VanDerWaalsContact O-N 3.07Å; T150-L152 PolarHBondContact O-N 3.12Å; T150-V153 PolarHBondContact O-N 3.13Å; T150-T166 HydrophobicContact CG2-CG2 4.49Å
151	S	94.2	Very high	93.3	Very high	57 Å²	57	60.9 Å²	60.9	40%	0.399	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-74.7	-16	177.7	72.5	0	0	0	0	113.1	P148 I149 S154	P148-S151 PolarHBondContact O-N 3.07Å; P148-S151 PolarHBondContact O-OG 3.48Å; I149-S151 VanDerWaalsContact C-N 3.25Å; I149-S151 PolarHBondContact O-N 3.37Å; S151-S154 PolarHBondContact O-OG 2.88Å
152	L	95.7	Very high	92.8	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-89.4	-13.3	178.6	-64.5	178.5	0	0	0	113.1	L136 V140 V147 I149 T150 S154 V155 A156 L169 L173 V187	L136-L152 HydrophobicContact CD2-CB 4.21Å; L136-L152 HydrophobicContact CD2-CD2 4.39Å; V140-L152 HydrophobicContact CG2-CD1 3.65Å; V140-L152 HydrophobicContact CG2-CD2 3.82Å; V140-L152 HydrophobicContact CG2-CG 4.31Å; V147-L152 HydrophobicContact CG2-CD1 3.96Å; V147-L152 HydrophobicContact CG2-CD2 3.93Å; V147-L152 HydrophobicContact CG2-CG 3.8Å; I149-L152 PolarHBondContact O-N 3.13Å; I149-L152 VanDerWaalsContact O-N 3.09Å; T150-L152 PolarHBondContact O-N 3.12Å; L152-S154 PolarHBondContact O-N 3.3Å; L152-V155 PolarHBondContact O-N 3.17Å; L152-A156 WeakPolarHBondContact O-CB 3.44Å; L152-A156 PolarHBondContact O-N 3.27Å; L152-L169 HydrophobicContact CB-CD2 3.65Å; L152-L173 HydrophobicContact CD1-CD1 4.38Å; L152-V187 HydrophobicContact CD1-CB 3.89Å; L152-V187 HydrophobicContact CD1-CG1 4.02Å; L152-V187 HydrophobicContact CD1-CG2 3.84Å
153	V	94.2	Very high	92.5	Very high	27 Å²	27	52.8 Å²	52.8	16%	0.164	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-43.4	-179	178.3	0	0	0	0	111	T150 A156 S157 L169	T150-V153 PolarHBondContact O-N 3.13Å; V153-A156 PolarHBondContact O-N 2.97Å; V153-S157 WeakPolarHBondContact O-CB 3.34Å; V153-S157 PolarHBondContact O-N 3.3Å; V153-S157 PolarHBondContact O-OG 3.44Å; V153-L169 HydrophobicContact CG2-CD2 4.12Å
154	S	91.2	Very high	92	Very high	62 Å²	62	54.9 Å²	54.9	43%	0.434	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-46.3	176.2	54.7	0	0	0	0	111.4	S151 L152 A156 S157 E158	S151-S154 PolarHBondContact O-OG 2.88Å; L152-S154 PolarHBondContact O-N 3.3Å; S154-A156 VanDerWaalsContact C-N 3.34Å; S154-A156 PolarHBondContact O-N 2.87Å; S154-S157 WeakPolarHBondContact CA-OG 3.17Å; S154-S157 PolarHBondContact O-N 3.32Å; S154-S157 VanDerWaalsContact O-N 3.17Å; S154-S157 PolarHBondContact O-OG 3.04Å; S154-E158 WeakPolarHBondContact O-CG 3.42Å; S154-E158 PolarHBondContact O-N 3.24Å
155	V	91.7	Very high	91.8	Very high	29 Å²	29	53.1 Å²	53.1	18%	0.176	32%	0.317	C	S	.	.	H	α-helix	trans	-59.3	-44.5	177.8	-176.4	0	0	0	0	111.3	L136 L152	L136-V155 HydrophobicContact CD2-CB 4.12Å; L136-V155 HydrophobicContact CD2-CG1 3.92Å; L152-V155 PolarHBondContact O-N 3.17Å
156	A	93.5	Very high	91.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-43.7	177.1	0	0	0	0	0	111.4	L132 L136 L152 V153 S154 E158 I159 D160 F163 L169	L132-A156 HydrophobicContact CD1-CB 4.41Å; L136-A156 HydrophobicContact CD2-CB 4.15Å; L152-A156 WeakPolarHBondContact O-CB 3.44Å; L152-A156 PolarHBondContact O-N 3.27Å; V153-A156 PolarHBondContact O-N 2.97Å; S154-A156 VanDerWaalsContact C-N 3.34Å; S154-A156 PolarHBondContact O-N 2.87Å; A156-E158 VanDerWaalsContact C-N 3.31Å; A156-E158 PolarHBondContact O-N 3.21Å; A156-I159 PolarHBondContact O-N 2.81Å; A156-D160 PolarHBondContact O-N 3.4Å; A156-F163 HydrophobicContact CB-CB 3.68Å; A156-F163 HydrophobicContact CB-CD2 4.18Å; A156-F163 HydrophobicContact CB-CG 3.9Å; A156-L169 HydrophobicContact CB-CD1 3.86Å; A156-L169 HydrophobicContact CB-CD2 4.22Å
157	S	91.6	Very high	91.4	Very high	50 Å²	50	53.7 Å²	53.7	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-66.9	-27.6	-177.9	73.2	0	0	0	0	114.1	V153 S154 I159 F163	V153-S157 WeakPolarHBondContact O-CB 3.34Å; V153-S157 PolarHBondContact O-N 3.3Å; V153-S157 PolarHBondContact O-OG 3.44Å; S154-S157 WeakPolarHBondContact CA-OG 3.17Å; S154-S157 PolarHBondContact O-N 3.32Å; S154-S157 VanDerWaalsContact O-N 3.17Å; S154-S157 PolarHBondContact O-OG 3.04Å; S157-I159 VanDerWaalsContact C-N 3.28Å; S157-I159 PolarHBondContact O-N 2.83Å; S157-F163 WeakPolarHBondContact CB-O 3.33Å
158	E	89	Confident	91.2	Very high	158 Å²	158	57.3 Å²	57.3	74%	0.738	34%	0.344	S	S	*	.	H	α-helix	trans	-66.9	-30.4	174.5	-75.7	173.5	-166.5	0	0	112.3	S154 A156	S154-E158 WeakPolarHBondContact O-CG 3.42Å; S154-E158 PolarHBondContact O-N 3.24Å; A156-E158 VanDerWaalsContact C-N 3.31Å; A156-E158 PolarHBondContact O-N 3.21Å
159	I	85.9	Confident	91.1	Very high	50 Å²	50	54.1 Å²	54.1	26%	0.256	32%	0.324	S	S	.	.	H	α-helix	trans	-97.7	-41.1	-176.9	-60.1	170.3	0	0	0	110.9	L132 H135 A156 S157	L132-I159 HydrophobicContact CB-CG2 4.2Å; L132-I159 HydrophobicContact CD1-CB 3.92Å; L132-I159 HydrophobicContact CD1-CD1 4.07Å; L132-I159 HydrophobicContact CD1-CG2 3.97Å; H135-I159 HydrophobicContact CB-CD1 3.23Å; H135-I159 VanDerWaalsContact CG-CD1 3.44Å; A156-I159 PolarHBondContact O-N 2.81Å; S157-I159 VanDerWaalsContact C-N 3.28Å; S157-I159 PolarHBondContact O-N 2.83Å
160	D	86.3	Confident	91	Very high	22 Å²	22	57.8 Å²	57.8	12%	0.118	34%	0.34	C	S	.	.			trans	-138.7	105.7	175	-172.9	3.5	0	0	0	110.8	R128 A156 N162 F163	R128-D160 IonicContact CZ-OD1 3.57Å; R128-D160 IonicContact CZ-OD2 3.99Å; R128-D160 IonicContact NH2-OD1 3.68Å; R128-D160 PolarHBondContact NH2-OD1 2.8Å; R128-D160 IonicContact NH2-OD2 3.64Å; A156-D160 PolarHBondContact O-N 3.4Å; D160-N162 PolarHBondContact O-N 2.89Å; D160-N162 WeakPolarHBondContact OD1-CB 3.47Å; D160-N162 PolarHBondContact OD1-N 3.03Å; D160-N162 VanDerWaalsContact OD1-N 3.17Å; D160-N162 PolarHBondContact OD1-ND2 3.18Å; D160-F163 HydrophobicContact CB-CD2 3.92Å; D160-F163 HydrophobicContact CB-CE2 4.16Å; D160-F163 PolarHBondContact O-N 2.95Å
161	S	86.8	Confident	90.8	Very high	96 Å²	96	56.4 Å²	56.4	67%	0.671	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-10.4	-179.8	56.3	0	0	0	0	114.3	F163	S161-F163 PolarHBondContact O-N 3.24Å
162	N	86.5	Confident	90.7	Very high	109 Å²	109	55 Å²	55	58%	0.583	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.9	171.5	-65.5	-42.3	0	0	0	113.1	D160 N164 Q168	D160-N162 PolarHBondContact O-N 2.89Å; D160-N162 WeakPolarHBondContact OD1-CB 3.47Å; D160-N162 PolarHBondContact OD1-N 3.03Å; D160-N162 VanDerWaalsContact OD1-N 3.17Å; D160-N162 PolarHBondContact OD1-ND2 3.18Å; N162-N164 PolarHBondContact O-N 2.89Å; N162-Q168 PolarHBondContact O-OE1 3.31Å
163	F	86.7	Confident	90.6	Very high	19 Å²	19	54.8 Å²	54.8	8%	0.083	32%	0.324	C	S	.	.			trans	-83.2	91.1	174.8	-70.5	-77.6	0	0	0	110.6	L132 A156 S157 D160 S161 Q168 L169 F172	L132-F163 HydrophobicContact CD2-CD2 4.01Å; L132-F163 HydrophobicContact CD2-CE2 3.26Å; L132-F163 HydrophobicContact CD2-CZ 3.86Å; A156-F163 HydrophobicContact CB-CB 3.68Å; A156-F163 HydrophobicContact CB-CD2 4.18Å; A156-F163 HydrophobicContact CB-CG 3.9Å; S157-F163 WeakPolarHBondContact CB-O 3.33Å; D160-F163 HydrophobicContact CB-CD2 3.92Å; D160-F163 HydrophobicContact CB-CE2 4.16Å; D160-F163 PolarHBondContact O-N 2.95Å; S161-F163 PolarHBondContact O-N 3.24Å; F163-Q168 HydrophobicContact CD1-CB 4.44Å; F163-L169 HydrophobicContact CD1-CB 4.14Å; F163-L169 HydrophobicContact CD1-CD1 4.02Å; F163-L169 HydrophobicContact CE1-CD1 4.19Å; F163-F172 HydrophobicContact CE1-CB 3.56Å; F163-F172 HydrophobicContact CE1-CD1 4.05Å; F163-F172 HydrophobicContact CE1-CD2 4.36Å; F163-F172 AromaticContact CE1-CG 3.75Å; F163-F172 HydrophobicContact CE1-CG 3.75Å; F163-F172 HydrophobicContact CZ-CB 3.88Å; F163-F172 AromaticContact CZ-CD1 3.77Å; F163-F172 HydrophobicContact CZ-CD1 3.77Å; F163-F172 AromaticContact CZ-CD2 3.79Å; F163-F172 HydrophobicContact CZ-CD2 3.79Å; F163-F172 HydrophobicContact CZ-CE1 4.23Å; F163-F172 HydrophobicContact CZ-CE2 4.23Å; F163-F172 AromaticContact CZ-CG 3.53Å; F163-F172 HydrophobicContact CZ-CG 3.53Å; F163-F172 HydrophobicContact CZ-CZ 4.45Å
164	N	84.5	Confident	90.4	Very high	126 Å²	126	56.1 Å²	56.1	67%	0.674	34%	0.338	S	S	*	.			trans	-108.2	6.3	-179.6	69.3	7.5	0	0	0	114.1	N162 Q168	N162-N164 PolarHBondContact O-N 2.89Å; N164-Q168 VanDerWaalsContact OD1-CD 3.31Å; N164-Q168 PolarHBondContact OD1-NE2 2.78Å; N164-Q168 PolarHBondContact OD1-OE1 3.36Å
165	G	90	Very high	90.1	Very high	21 Å²	21	61.5 Å²	61.5	22%	0.216	35%	0.349	C	S	.	.	S	Bend	trans	-163.4	158.7	-179.1	0	0	0	0	0	114.3	A167 Q168 L169	G165-A167 PolarHBondContact O-N 3.31Å; G165-Q168 PolarHBondContact O-N 3.3Å; G165-L169 PolarHBondContact O-N 3.09Å
166	T	93.1	Very high	90	Very high	47 Å²	47	61 Å²	61	29%	0.288	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-43.4	-179	-57.4	0	0	0	0	112.8	I149 T150 Q168 L169 E170	I149-T166 HydrophobicContact CB-CG2 4.32Å; I149-T166 HydrophobicContact CD1-CG2 4.39Å; I149-T166 HydrophobicContact CG1-CG2 4.16Å; I149-T166 HydrophobicContact CG2-CG2 3.32Å; T150-T166 HydrophobicContact CG2-CG2 4.49Å; T166-Q168 VanDerWaalsContact C-N 3.34Å; T166-Q168 PolarHBondContact O-N 3.41Å; T166-L169 PolarHBondContact O-N 3.07Å; T166-E170 WeakPolarHBondContact O-CB 3.29Å; T166-E170 PolarHBondContact O-N 3.1Å
167	A	92.9	Very high	89.8	Confident	76 Å²	76	66 Å²	66	63%	0.628	37%	0.374	S	S	*	.	H	α-helix	trans	-63	-38.5	-176.8	0	0	0	0	0	113	G165 A171	G165-A167 PolarHBondContact O-N 3.31Å; A167-A171 WeakPolarHBondContact O-CB 3.32Å; A167-A171 PolarHBondContact O-N 2.8Å
168	Q	92.3	Very high	89.5	Confident	87 Å²	87	69.3 Å²	69.3	41%	0.407	38%	0.379	S	S	.	.	H	α-helix	trans	-69	-43.1	177.1	-68.8	167.9	0.7	0	0	111.2	N162 F163 N164 G165 T166 E170 A171 F172	N162-Q168 PolarHBondContact O-OE1 3.31Å; F163-Q168 HydrophobicContact CD1-CB 4.44Å; N164-Q168 VanDerWaalsContact OD1-CD 3.31Å; N164-Q168 PolarHBondContact OD1-NE2 2.78Å; N164-Q168 PolarHBondContact OD1-OE1 3.36Å; G165-Q168 PolarHBondContact O-N 3.3Å; T166-Q168 VanDerWaalsContact C-N 3.34Å; T166-Q168 PolarHBondContact O-N 3.41Å; Q168-E170 VanDerWaalsContact C-N 3.33Å; Q168-A171 PolarHBondContact O-N 3.39Å; Q168-F172 WeakPolarHBondContact O-CB 3.36Å; Q168-F172 PolarHBondContact O-N 3.26Å
169	L	94.8	Very high	89.5	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64.1	-41.4	177	-176.4	59.2	0	0	0	111.2	L136 I149 L152 V153 A156 F163 G165 T166 F172 L173	L136-L169 HydrophobicContact CD1-CD1 3.93Å; I149-L169 HydrophobicContact CG1-CD2 4.18Å; I149-L169 HydrophobicContact CG1-CG 4.39Å; L152-L169 HydrophobicContact CB-CD2 3.65Å; V153-L169 HydrophobicContact CG2-CD2 4.12Å; A156-L169 HydrophobicContact CB-CD1 3.86Å; A156-L169 HydrophobicContact CB-CD2 4.22Å; F163-L169 HydrophobicContact CD1-CB 4.14Å; F163-L169 HydrophobicContact CD1-CD1 4.02Å; F163-L169 HydrophobicContact CE1-CD1 4.19Å; G165-L169 PolarHBondContact O-N 3.09Å; T166-L169 PolarHBondContact O-N 3.07Å; L169-F172 HydrophobicContact CD1-CD1 4.46Å; L169-F172 PolarHBondContact O-N 2.75Å; L169-L173 HydrophobicContact CD1-CD1 4.06Å; L169-L173 HydrophobicContact CD1-CG 4Å; L169-L173 HydrophobicContact CG-CD1 3.97Å; L169-L173 HydrophobicContact CG-CG 4.29Å; L169-L173 WeakPolarHBondContact O-CB 3.49Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.44Å; L169-L173 PolarHBondContact O-N 3.24Å
170	E	94.7	Very high	89.8	Confident	81 Å²	81	60.3 Å²	60.3	38%	0.379	34%	0.337	S	S	.	.	H	α-helix	trans	-61.7	-50	176.7	-164.6	172.9	167.9	0	0	111.3	I149 T166 Q168 F172 L173 A174 I182	I149-E170 VanDerWaalsContact CD1-CA 3.47Å; I149-E170 HydrophobicContact CD1-CB 3.51Å; I149-E170 HydrophobicContact CD1-CG 3.84Å; T166-E170 WeakPolarHBondContact O-CB 3.29Å; T166-E170 PolarHBondContact O-N 3.1Å; Q168-E170 VanDerWaalsContact C-N 3.33Å; E170-F172 VanDerWaalsContact C-N 3.26Å; E170-F172 PolarHBondContact O-N 3.24Å; E170-L173 PolarHBondContact O-N 3.34Å; E170-A174 WeakPolarHBondContact O-CB 3.47Å; E170-A174 PolarHBondContact O-N 3.3Å; E170-I182 HydrophobicContact CG-CD1 4.11Å; E170-I182 HydrophobicContact CG-CG2 4.27Å
171	A	91.6	Very high	90.3	Very high	63 Å²	63	64.5 Å²	64.5	52%	0.521	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-36.4	177.5	0	0	0	0	0	112.3	A167 Q168	A167-A171 WeakPolarHBondContact O-CB 3.32Å; A167-A171 PolarHBondContact O-N 2.8Å; Q168-A171 PolarHBondContact O-N 3.39Å
172	F	91.7	Very high	90.7	Very high	27 Å²	27	62 Å²	62	12%	0.118	33%	0.332	C	S	.	.	H	α-helix	trans	-67.1	-53.4	174.9	173.5	-102	0	0	0	111.7	T129 L132 L133 F163 Q168 L169 E170 A174 R175 Y176	T129-F172 HydrophobicContact CG2-CE2 4.13Å; T129-F172 HydrophobicContact CG2-CZ 4.04Å; L132-F172 HydrophobicContact CD2-CE1 3.72Å; L132-F172 HydrophobicContact CD2-CZ 3.76Å; L132-F172 HydrophobicContact CG-CE1 4.24Å; L132-F172 HydrophobicContact CG-CZ 4.47Å; L133-F172 HydrophobicContact CD2-CE1 3.58Å; L133-F172 HydrophobicContact CD2-CZ 3.8Å; L133-F172 HydrophobicContact CG-CE1 4.34Å; L133-F172 HydrophobicContact CG-CZ 4.18Å; F163-F172 HydrophobicContact CE1-CB 3.56Å; F163-F172 HydrophobicContact CE1-CD1 4.05Å; F163-F172 HydrophobicContact CE1-CD2 4.36Å; F163-F172 AromaticContact CE1-CG 3.75Å; F163-F172 HydrophobicContact CE1-CG 3.75Å; F163-F172 HydrophobicContact CZ-CB 3.88Å; F163-F172 AromaticContact CZ-CD1 3.77Å; F163-F172 HydrophobicContact CZ-CD1 3.77Å; F163-F172 AromaticContact CZ-CD2 3.79Å; F163-F172 HydrophobicContact CZ-CD2 3.79Å; F163-F172 HydrophobicContact CZ-CE1 4.23Å; F163-F172 HydrophobicContact CZ-CE2 4.23Å; F163-F172 AromaticContact CZ-CG 3.53Å; F163-F172 HydrophobicContact CZ-CG 3.53Å; F163-F172 HydrophobicContact CZ-CZ 4.45Å; Q168-F172 WeakPolarHBondContact O-CB 3.36Å; Q168-F172 PolarHBondContact O-N 3.26Å; L169-F172 HydrophobicContact CD1-CD1 4.46Å; L169-F172 PolarHBondContact O-N 2.75Å; E170-F172 VanDerWaalsContact C-N 3.26Å; E170-F172 PolarHBondContact O-N 3.24Å; F172-A174 VanDerWaalsContact C-N 3.3Å; F172-A174 PolarHBondContact O-N 3.25Å; F172-R175 WeakPolarHBondContact O-CB 3.16Å; F172-R175 PolarHBondContact O-N 3.2Å; F172-R175 VanDerWaalsContact O-N 3.13Å; F172-Y176 HydrophobicContact CD2-CE2 4.06Å; F172-Y176 HydrophobicContact CE1-CD2 4.5Å; F172-Y176 HydrophobicContact CE1-CE2 4.2Å; F172-Y176 AromaticContact CE2-CE2 3.66Å; F172-Y176 HydrophobicContact CE2-CE2 3.66Å; F172-Y176 HydrophobicContact CG-CE2 4.49Å; F172-Y176 HydrophobicContact CZ-CD2 4.44Å; F172-Y176 AromaticContact CZ-CE2 3.73Å; F172-Y176 HydrophobicContact CZ-CE2 3.73Å; F172-Y176 VanDerWaalsContact O-CD2 3.23Å; F172-Y176 WeakPolarHBondContact O-CD2 3.34Å
173	L	93.2	Very high	91.1	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-32.7	-178.1	-68.9	-178.9	0	0	0	112.6	L133 L136 L152 L169 E170 R175 Y176 F180 I182 V187	L133-L173 HydrophobicContact CD2-CD2 4.44Å; L136-L173 HydrophobicContact CD1-CD2 3.92Å; L152-L173 HydrophobicContact CD1-CD1 4.38Å; L169-L173 HydrophobicContact CD1-CD1 4.06Å; L169-L173 HydrophobicContact CD1-CG 4Å; L169-L173 HydrophobicContact CG-CD1 3.97Å; L169-L173 HydrophobicContact CG-CG 4.29Å; L169-L173 WeakPolarHBondContact O-CB 3.49Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.44Å; L169-L173 PolarHBondContact O-N 3.24Å; E170-L173 PolarHBondContact O-N 3.34Å; L173-R175 PolarHBondContact O-N 3.1Å; L173-R175 VanDerWaalsContact O-N 3.09Å; L173-Y176 CarbonylContact O-C 3.5Å; L173-Y176 WeakPolarHBondContact O-CA 3.37Å; L173-Y176 PolarHBondContact O-N 2.93Å; L173-F180 HydrophobicContact CB-CB 4.5Å; L173-F180 HydrophobicContact CD2-CD1 4.17Å; L173-F180 HydrophobicContact CD2-CD2 3.65Å; L173-F180 HydrophobicContact CD2-CE1 4.11Å; L173-F180 HydrophobicContact CD2-CE2 3.62Å; L173-F180 HydrophobicContact CD2-CG 3.93Å; L173-F180 HydrophobicContact CD2-CZ 3.84Å; L173-I182 HydrophobicContact CB-CD1 3.68Å; L173-V187 HydrophobicContact CD1-CG1 4.32Å; L173-V187 HydrophobicContact CD1-CG2 4.22Å
174	A	89.7	Confident	91.5	Very high	55 Å²	55	67.4 Å²	67.4	46%	0.455	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-60.9	-17.3	175.3	0	0	0	0	0	113.4	E170 F172 Y176 T177	E170-A174 WeakPolarHBondContact O-CB 3.47Å; E170-A174 PolarHBondContact O-N 3.3Å; F172-A174 VanDerWaalsContact C-N 3.3Å; F172-A174 PolarHBondContact O-N 3.25Å; A174-Y176 VanDerWaalsContact C-N 3.3Å; A174-T177 VanDerWaalsContact O-CG2 3.3Å; A174-T177 WeakPolarHBondContact O-CG2 3.47Å
175	R	86.8	Confident	91.9	Very high	176 Å²	176	62.6 Å²	62.6	66%	0.664	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-79.4	-13.5	172.7	-61.8	170.5	61	-172.7	-3.4	113.1	F172 L173	F172-R175 WeakPolarHBondContact O-CB 3.16Å; F172-R175 PolarHBondContact O-N 3.2Å; F172-R175 VanDerWaalsContact O-N 3.13Å; L173-R175 PolarHBondContact O-N 3.1Å; L173-R175 VanDerWaalsContact O-N 3.09Å
176	Y	89.2	Confident	92.3	Very high	17 Å²	17	64.7 Å²	64.7	7%	0.067	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-121.2	48.1	-174.4	-56	-80	0	0	0	111.2	V115 L125 T129 L133 F172 L173 A174 R178 L179 F180	V115-Y176 HydrophobicContact CB-CE1 4.49Å; V115-Y176 HydrophobicContact CG2-CE1 4.43Å; L125-Y176 HydrophobicContact CD1-CE1 3.92Å; L125-Y176 HydrophobicContact CD2-CE1 4.01Å; T129-Y176 WeakPolarHBondContact CG2-OH 3.35Å; L133-Y176 HydrophobicContact CD1-CD1 3.69Å; L133-Y176 HydrophobicContact CD1-CD2 4.27Å; L133-Y176 HydrophobicContact CD1-CE1 3.62Å; L133-Y176 HydrophobicContact CD1-CE2 4.2Å; L133-Y176 HydrophobicContact CD1-CG 4.02Å; L133-Y176 HydrophobicContact CD2-CD1 4.22Å; L133-Y176 HydrophobicContact CD2-CD2 3.44Å; L133-Y176 VanDerWaalsContact CD2-CD2 3.44Å; L133-Y176 HydrophobicContact CD2-CE2 3.8Å; L133-Y176 HydrophobicContact CD2-CG 3.67Å; L133-Y176 HydrophobicContact CG-CD2 4.48Å; F172-Y176 HydrophobicContact CD2-CE2 4.06Å; F172-Y176 HydrophobicContact CE1-CD2 4.5Å; F172-Y176 HydrophobicContact CE1-CE2 4.2Å; F172-Y176 AromaticContact CE2-CE2 3.66Å; F172-Y176 HydrophobicContact CE2-CE2 3.66Å; F172-Y176 HydrophobicContact CG-CE2 4.49Å; F172-Y176 HydrophobicContact CZ-CD2 4.44Å; F172-Y176 AromaticContact CZ-CE2 3.73Å; F172-Y176 HydrophobicContact CZ-CE2 3.73Å; F172-Y176 VanDerWaalsContact O-CD2 3.23Å; F172-Y176 WeakPolarHBondContact O-CD2 3.34Å; L173-Y176 CarbonylContact O-C 3.5Å; L173-Y176 WeakPolarHBondContact O-CA 3.37Å; L173-Y176 PolarHBondContact O-N 2.93Å; A174-Y176 VanDerWaalsContact C-N 3.3Å; Y176-R178 PolarHBondContact O-N 2.96Å; Y176-L179 PolarHBondContact O-N 2.97Å; Y176-F180 PolarHBondContact O-N 3.47Å
177	T	88.2	Confident	92.5	Very high	105 Å²	105	62.4 Å²	62.4	64%	0.644	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.8	-176.8	55.6	0	0	0	0	115.1	A174 F180	A174-T177 VanDerWaalsContact O-CG2 3.3Å; A174-T177 WeakPolarHBondContact O-CG2 3.47Å; T177-F180 CarbonylContact C-O 3.49Å; T177-F180 VanDerWaalsContact CA-O 3.24Å; T177-F180 WeakPolarHBondContact CA-O 3.09Å
178	R	85.2	Confident	92.7	Very high	120 Å²	120	61 Å²	61	45%	0.453	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-23.5	176.5	-55.4	-174	70	175.8	10.9	113.2	N108 A111 Y176	N108-R178 VanDerWaalsContact OD1-CZ 3.27Å; N108-R178 PolarHBondContact OD1-NH1 3.17Å; N108-R178 PolarHBondContact OD1-NH2 3.38Å; A111-R178 HydrophobicContact CB-CB 4.09Å; Y176-R178 PolarHBondContact O-N 2.96Å
179	L	88.7	Confident	92.9	Very high	18 Å²	18	57.2 Å²	57.2	9%	0.094	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-42.3	175.7	-63.2	176.9	0	0	0	110.2	A111 H112 L133 Y176 I193	A111-L179 HydrophobicContact CB-CD2 4.02Å; A111-L179 HydrophobicContact CB-CG 4.24Å; H112-L179 HydrophobicContact CB-CD1 4.06Å; H112-L179 HydrophobicContact CB-CD2 4.37Å; L133-L179 HydrophobicContact CB-CD1 4.15Å; L133-L179 HydrophobicContact CD1-CD1 4.27Å; Y176-L179 PolarHBondContact O-N 2.97Å; L179-I193 HydrophobicContact CD2-CD1 4.23Å
180	F	94	Very high	92.8	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.009	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.5	-172	-55.6	-82.5	0	0	0	111.4	L133 L136 N137 L173 Y176 T177 V187 V189	L133-F180 HydrophobicContact CB-CE2 4.47Å; L133-F180 HydrophobicContact CD2-CE2 3.7Å; L133-F180 HydrophobicContact CD2-CZ 4.49Å; L133-F180 WeakPolarHBondContact O-CZ 3.4Å; L136-F180 HydrophobicContact CB-CE1 4.12Å; L136-F180 HydrophobicContact CB-CZ 3.96Å; N137-F180 HydrophobicContact CB-CE1 4.06Å; N137-F180 HydrophobicContact CB-CZ 3.89Å; L173-F180 HydrophobicContact CB-CB 4.5Å; L173-F180 HydrophobicContact CD2-CD1 4.17Å; L173-F180 HydrophobicContact CD2-CD2 3.65Å; L173-F180 HydrophobicContact CD2-CE1 4.11Å; L173-F180 HydrophobicContact CD2-CE2 3.62Å; L173-F180 HydrophobicContact CD2-CG 3.93Å; L173-F180 HydrophobicContact CD2-CZ 3.84Å; Y176-F180 PolarHBondContact O-N 3.47Å; T177-F180 CarbonylContact C-O 3.49Å; T177-F180 VanDerWaalsContact CA-O 3.24Å; T177-F180 WeakPolarHBondContact CA-O 3.09Å; F180-V187 HydrophobicContact CB-CG1 4.18Å; F180-V187 HydrophobicContact CD1-CG1 3.61Å; F180-V187 HydrophobicContact CG-CG1 4.33Å; F180-V189 HydrophobicContact CD1-CG1 3.63Å; F180-V189 HydrophobicContact CE1-CG1 3.84Å
181	K	95.9	Very high	92.6	Very high	110 Å²	110	62.9 Å²	62.9	48%	0.478	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.2	164.4	-170	-174	-171.9	-146.4	0	108.1	E183 V187 T188	K181-E183 WeakPolarHBondContact CE-OE1 3.12Å; K181-E183 WeakPolarHBondContact CE-OE2 3.39Å; K181-E183 HydrophobicContact CG-CG 4.45Å; K181-E183 IonicContact NZ-OE1 2.79Å; K181-E183 PolarHBondContact NZ-OE1 2.93Å; K181-E183 IonicContact NZ-OE2 3.6Å; K181-E183 PolarHBondContact NZ-OE2 3.05Å; K181-V187 CarbonylContact O-C 3.58Å; K181-V187 WeakPolarHBondContact O-CA 3.48Å; K181-T188 PolarHBondContact N-O 2.84Å; K181-T188 PolarHBondContact O-N 2.92Å
182	I	95.5	Very high	92.6	Very high	42 Å²	42	61.4 Å²	61.4	22%	0.215	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.8	178.5	-51.7	177.2	0	0	0	108.3	E170 L173 I186 V187	E170-I182 HydrophobicContact CG-CD1 4.11Å; E170-I182 HydrophobicContact CG-CG2 4.27Å; L173-I182 HydrophobicContact CB-CD1 3.68Å; I182-I186 VanDerWaalsContact CA-O 3.31Å; I182-I186 WeakPolarHBondContact CA-O 3.32Å; I182-V187 HydrophobicContact CG1-CG2 4.39Å
183	E	95	Very high	92.3	Very high	108 Å²	108	60.5 Å²	60.5	51%	0.505	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126	176.2	-73.7	-178.9	158.9	0	0	109.5	K181 G185 I186	K181-E183 WeakPolarHBondContact CE-OE1 3.12Å; K181-E183 WeakPolarHBondContact CE-OE2 3.39Å; K181-E183 HydrophobicContact CG-CG 4.45Å; K181-E183 IonicContact NZ-OE1 2.79Å; K181-E183 PolarHBondContact NZ-OE1 2.93Å; K181-E183 IonicContact NZ-OE2 3.6Å; K181-E183 PolarHBondContact NZ-OE2 3.05Å; E183-G185 PolarHBondContact O-N 3.27Å; E183-G185 VanDerWaalsContact O-N 3.08Å; E183-I186 PolarHBondContact N-O 3.47Å; E183-I186 WeakPolarHBondContact O-CB 3.28Å; E183-I186 PolarHBondContact O-N 3.42Å
184	S	93.6	Very high	91.7	Very high	134 Å²	134	67 Å²	67	94%	0.937	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	37.6	176.3	-59.4	0	0	0	0	114.2	I186	S184-I186 VanDerWaalsContact C-N 3.28Å; S184-I186 PolarHBondContact O-N 3Å
185	G	94.5	Very high	90.9	Very high	26 Å²	26	67.2 Å²	67.2	27%	0.268	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	7.5	-178.1	0	0	0	0	0	115	P148 I149 E183	P148-G185 WeakPolarHBondContact CA-O 3.03Å; I149-G185 WeakPolarHBondContact CG2-O 3.26Å; I149-G185 PolarHBondContact N-O 3.19Å; E183-G185 PolarHBondContact O-N 3.27Å; E183-G185 VanDerWaalsContact O-N 3.08Å
186	I	97.4	Very high	90.3	Very high	64 Å²	64	60.3 Å²	60.3	33%	0.328	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.5	172.6	-55.8	-56	0	0	0	109.1	V147 P148 I182 E183 S184	V147-I186 WeakPolarHBondContact O-CA 3.29Å; P148-I186 HydrophobicContact CB-CD1 4.28Å; P148-I186 HydrophobicContact CG-CD1 4.13Å; I182-I186 VanDerWaalsContact CA-O 3.31Å; I182-I186 WeakPolarHBondContact CA-O 3.32Å; E183-I186 PolarHBondContact N-O 3.47Å; E183-I186 WeakPolarHBondContact O-CB 3.28Å; E183-I186 PolarHBondContact O-N 3.42Å; S184-I186 VanDerWaalsContact C-N 3.28Å; S184-I186 PolarHBondContact O-N 3Å
187	V	97.7	Very high	89.3	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.9	172.4	-175	0	0	0	0	108.5	V140 S146 V147 I149 L152 L173 F180 K181 I182	V140-V187 WeakPolarHBondContact CG1-O 3.4Å; V140-V187 HydrophobicContact CG2-CG1 4.11Å; S146-V187 VanDerWaalsContact CA-O 3.3Å; S146-V187 WeakPolarHBondContact CA-O 3.46Å; V147-V187 PolarHBondContact N-O 3.06Å; V147-V187 PolarHBondContact O-N 3.24Å; I149-V187 HydrophobicContact CB-CG2 3.74Å; I149-V187 HydrophobicContact CD1-CG2 4.1Å; I149-V187 HydrophobicContact CG1-CG2 3.9Å; L152-V187 HydrophobicContact CD1-CB 3.89Å; L152-V187 HydrophobicContact CD1-CG1 4.02Å; L152-V187 HydrophobicContact CD1-CG2 3.84Å; L173-V187 HydrophobicContact CD1-CG1 4.32Å; L173-V187 HydrophobicContact CD1-CG2 4.22Å; F180-V187 HydrophobicContact CB-CG1 4.18Å; F180-V187 HydrophobicContact CD1-CG1 3.61Å; F180-V187 HydrophobicContact CG-CG1 4.33Å; K181-V187 CarbonylContact O-C 3.58Å; K181-V187 WeakPolarHBondContact O-CA 3.48Å; I182-V187 HydrophobicContact CG1-CG2 4.39Å
188	T	97.9	Very high	88.1	Confident	46 Å²	46	68.8 Å²	68.8	28%	0.282	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.9	178.1	-59.5	0	0	0	0	110.3	N145 S146 K181	N145-T188 VanDerWaalsContact O-CA 3.26Å; N145-T188 WeakPolarHBondContact O-CA 3.15Å; N145-T188 WeakPolarHBondContact O-CG2 3.27Å; S146-T188 WeakPolarHBondContact OG-CG2 3.32Å; S146-T188 PolarHBondContact OG-OG1 3.03Å; K181-T188 PolarHBondContact N-O 2.84Å; K181-T188 PolarHBondContact O-N 2.92Å
189	V	95.9	Very high	87	Confident	7 Å²	7	63.3 Å²	63.3	4%	0.042	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.6	175.1	-58.5	0	0	0	0	110.8	N137 V140 W141 N145 F180	N137-V189 WeakPolarHBondContact OD1-CB 3.22Å; N137-V189 WeakPolarHBondContact OD1-CG1 2.93Å; V140-V189 HydrophobicContact CB-CB 4.48Å; V140-V189 HydrophobicContact CB-CG1 3.82Å; V140-V189 HydrophobicContact CB-CG2 3.85Å; V140-V189 HydrophobicContact CG1-CB 4.34Å; V140-V189 HydrophobicContact CG1-CG1 3.91Å; V140-V189 HydrophobicContact CG1-CG2 3.74Å; V140-V189 HydrophobicContact CG2-CG1 4.2Å; W141-V189 HydrophobicContact CB-CG2 4.07Å; W141-V189 HydrophobicContact CE3-CG2 4.23Å; N145-V189 PolarHBondContact O-N 3.24Å; F180-V189 HydrophobicContact CD1-CG1 3.63Å; F180-V189 HydrophobicContact CE1-CG1 3.84Å
190	G	92.1	Very high	85.7	Confident	73 Å²	73	63.3 Å²	63.3	75%	0.753	34%	0.341	S	S	*	.	S	Bend	trans	-88.7	-23.7	-176.7	0	0	0	0	0	115.3	W141	W141-G190 WeakPolarHBondContact CZ3-O 3.5Å
191	R	90.4	Very high	84	Confident	128 Å²	128	67.3 Å²	67.3	48%	0.483	36%	0.36	S	S	.	.	S	Bend	trans	-162.3	161.9	-173.7	62	-179.4	-175.1	-178.6	5.3	112.8	E109 N137 W141	E109-R191 PolarHBondContact O-NH2 2.92Å; N137-R191 PolarHBondContact ND2-O 3.28Å; W141-R191 VanDerWaalsContact CE3-C 3.42Å; W141-R191 VanDerWaalsContact CE3-CA 3.42Å
192	S	91.4	Very high	82	Confident	32 Å²	32	63.1 Å²	63.1	22%	0.224	34%	0.343	C	S	.	.			trans	-69.3	159	163	55.9	0	0	0	0	111.8	D194	S192-D194 PolarHBondContact OG-OD2 3.03Å
193	I	86.6	Confident	79.9	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.041	34%	0.336	C	S	.	.			trans	-119.3	100.2	169.8	-60.3	163.9	0	0	0	107	H112 V134 N137 N138 L179 D195 F196	H112-I193 HydrophobicContact CB-CD1 3.77Å; V134-I193 HydrophobicContact CG1-CB 4.22Å; V134-I193 HydrophobicContact CG1-CG2 4.14Å; V134-I193 HydrophobicContact CG2-CB 4.36Å; V134-I193 HydrophobicContact CG2-CD1 4.01Å; V134-I193 HydrophobicContact CG2-CG2 3.82Å; N137-I193 HydrophobicContact CB-CD1 3.82Å; N138-I193 PolarHBondContact ND2-O 3.32Å; N138-I193 PolarHBondContact OD1-N 3.14Å; L179-I193 HydrophobicContact CD2-CD1 4.23Å; I193-D195 WeakPolarHBondContact CG2-OD1 3.22Å; I193-F196 HydrophobicContact CG2-CB 4.27Å
194	D	80.5	Confident	77.9	Confident	136 Å²	136	62.9 Å²	62.9	73%	0.727	35%	0.345	S	S	*	.			trans	-102.4	-9.2	-175	-59.8	-51.2	0	0	0	112.5	S192	S192-D194 PolarHBondContact OG-OD2 3.03Å
195	D	71.9	Confident	75.7	Confident	60 Å²	60	60.9 Å²	60.9	32%	0.321	32%	0.317	S	S	.	.			trans	-101.2	6.4	-173.4	61.9	-30.4	0	0	0	113.7	H110 H112 I193 Q197 R198 A199	H110-D195 IonicContact CD2-OD2 3.81Å; H110-D195 IonicContact NE2-OD2 3.96Å; H112-D195 IonicContact CE1-OD1 2.66Å; H112-D195 IonicContact CE1-OD2 2.78Å; H112-D195 IonicContact NE2-OD1 3.91Å; I193-D195 WeakPolarHBondContact CG2-OD1 3.22Å; D195-Q197 PolarHBondContact O-N 3.08Å; D195-R198 CarbonylContact O-C 3.56Å; D195-R198 WeakPolarHBondContact O-CA 3.1Å; D195-R198 WeakPolarHBondContact O-CB 3.45Å; D195-R198 PolarHBondContact O-N 2.84Å; D195-A199 PolarHBondContact O-N 3.15Å
196	F	74	Confident	73.4	Confident	31 Å²	31	61.5 Å²	61.5	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-55.4	-44.9	-172.3	179.3	-119.8	0	0	0	113.9	A130 S131 V134 I193 R198 A199 C200	A130-F196 HydrophobicContact CB-CE2 3.68Å; A130-F196 HydrophobicContact CB-CZ 4.11Å; S131-F196 VanDerWaalsContact N-CZ 3.33Å; V134-F196 HydrophobicContact CB-CB 4.39Å; V134-F196 HydrophobicContact CB-CD1 4.43Å; V134-F196 HydrophobicContact CB-CD2 4.25Å; V134-F196 HydrophobicContact CB-CG 4.09Å; V134-F196 HydrophobicContact CG1-CB 3.8Å; V134-F196 HydrophobicContact CG1-CD1 4.27Å; V134-F196 HydrophobicContact CG1-CG 3.96Å; V134-F196 HydrophobicContact CG2-CB 3.99Å; V134-F196 HydrophobicContact CG2-CD1 4.47Å; V134-F196 HydrophobicContact CG2-CD2 3.46Å; V134-F196 VanDerWaalsContact CG2-CD2 3.46Å; V134-F196 HydrophobicContact CG2-CE2 4.02Å; V134-F196 HydrophobicContact CG2-CG 3.71Å; I193-F196 HydrophobicContact CG2-CB 4.27Å; F196-R198 VanDerWaalsContact C-N 3.26Å; F196-R198 PolarHBondContact O-N 3.46Å; F196-A199 CarbonylContact O-C 3.52Å; F196-A199 WeakPolarHBondContact O-CA 3.4Å; F196-A199 WeakPolarHBondContact O-CB 3.07Å; F196-A199 PolarHBondContact O-N 2.92Å; F196-C200 VanDerWaalsContact CE2-SG 3.5Å; F196-C200 WeakPolarHBondContact CZ-SG 3.48Å; F196-C200 PolarHBondContact O-N 2.64Å; F196-C200 PolarHBondContact O-SG 2.83Å
197	Q	69.2	Low	70.6	Confident	148 Å²	148	60.9 Å²	60.9	69%	0.692	32%	0.323	S	S	*	.	H	α-helix	trans	-60	-40.2	178.2	-175.8	175.6	3	0	0	111.5	D195 A199 C200 E201	D195-Q197 PolarHBondContact O-N 3.08Å; Q197-A199 VanDerWaalsContact C-N 3.31Å; Q197-C200 WeakPolarHBondContact O-CB 3.47Å; Q197-C200 PolarHBondContact O-N 3.02Å; Q197-E201 WeakPolarHBondContact O-CG 3.49Å; Q197-E201 PolarHBondContact O-N 3.33Å
198	R	63.2	Low	69.3	Low	152 Å²	152	63.9 Å²	63.9	57%	0.574	34%	0.34	S	S	*	.	H	α-helix	trans	-68.9	-33.4	176.4	-170.6	176.5	-176.4	-175.7	0.5	111.6	D195 F196 E201 L202	D195-R198 CarbonylContact O-C 3.56Å; D195-R198 WeakPolarHBondContact O-CA 3.1Å; D195-R198 WeakPolarHBondContact O-CB 3.45Å; D195-R198 PolarHBondContact O-N 2.84Å; F196-R198 VanDerWaalsContact C-N 3.26Å; F196-R198 PolarHBondContact O-N 3.46Å; R198-E201 PolarHBondContact O-N 2.82Å; R198-L202 WeakPolarHBondContact O-CB 3.15Å; R198-L202 PolarHBondContact O-N 3.01Å
199	A	62.4	Low	67.8	Low	5 Å²	5	64.8 Å²	64.8	4%	0.041	34%	0.343	C	S	.	.	H	α-helix	trans	-68.4	-39.1	173.6	0	0	0	0	0	111.1	V113 D195 F196 Q197 L202 M203	V113-A199 HydrophobicContact CG2-CB 3.53Å; D195-A199 PolarHBondContact O-N 3.15Å; F196-A199 CarbonylContact O-C 3.52Å; F196-A199 WeakPolarHBondContact O-CA 3.4Å; F196-A199 WeakPolarHBondContact O-CB 3.07Å; F196-A199 PolarHBondContact O-N 2.92Å; Q197-A199 VanDerWaalsContact C-N 3.31Å; A199-L202 WeakPolarHBondContact O-CB 3.09Å; A199-L202 PolarHBondContact O-N 3.14Å; A199-M203 WeakPolarHBondContact O-CG 3.43Å; A199-M203 PolarHBondContact O-N 3.3Å
200	C	59.9	Low	66.2	Low	17 Å²	17	68.1 Å²	68.1	12%	0.115	36%	0.359	C	S	.	.	H	α-helix	trans	-62.5	-45	170.3	-66.9	0	0	0	0	112.3	F196 Q197 L202 M203 D204	F196-C200 VanDerWaalsContact CE2-SG 3.5Å; F196-C200 WeakPolarHBondContact CZ-SG 3.48Å; F196-C200 PolarHBondContact O-N 2.64Å; F196-C200 PolarHBondContact O-SG 2.83Å; Q197-C200 WeakPolarHBondContact O-CB 3.47Å; Q197-C200 PolarHBondContact O-N 3.02Å; C200-L202 PolarHBondContact O-N 3.22Å; C200-M203 HydrophobicContact CB-CE 4.09Å; C200-M203 WeakPolarHBondContact O-CA 3.25Å; C200-M203 WeakPolarHBondContact O-CB 3.39Å; C200-M203 PolarHBondContact O-N 3.04Å; C200-M203 VanDerWaalsContact SG-CE 3.57Å; C200-D204 PolarHBondContact O-N 3.11Å
201	E	58.3	Low	64.7	Low	86 Å²	86	67.8 Å²	67.8	40%	0.402	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-36.9	173.6	-73.5	178.6	-164.2	0	0	111.8	Q197 R198 R205	Q197-E201 WeakPolarHBondContact O-CG 3.49Å; Q197-E201 PolarHBondContact O-N 3.33Å; R198-E201 PolarHBondContact O-N 2.82Å; E201-R205 VanDerWaalsContact O-CD 3.32Å; E201-R205 WeakPolarHBondContact O-CD 3.32Å; E201-R205 WeakPolarHBondContact O-CG 3.32Å; E201-R205 PolarHBondContact O-N 2.82Å; E201-R205 IonicContact OE2-NH2 3.75Å
202	L	54	Low	63.1	Low	23 Å²	23	64 Å²	64	12%	0.12	33%	0.327	C	S	.	.	H	α-helix	trans	-65.3	-44.3	173.2	177.6	61.7	0	0	0	111.4	L88 F106 R198 A199 C200 R205 L206	L88-L202 HydrophobicContact CD1-CD1 3.55Å; L88-L202 HydrophobicContact CD2-CD1 3.62Å; L88-L202 HydrophobicContact CG-CD1 3.76Å; F106-L202 HydrophobicContact CE1-CD2 4.15Å; F106-L202 HydrophobicContact CZ-CD2 3.59Å; R198-L202 WeakPolarHBondContact O-CB 3.15Å; R198-L202 PolarHBondContact O-N 3.01Å; A199-L202 WeakPolarHBondContact O-CB 3.09Å; A199-L202 PolarHBondContact O-N 3.14Å; C200-L202 PolarHBondContact O-N 3.22Å; L202-R205 PolarHBondContact O-N 2.81Å; L202-L206 HydrophobicContact CD1-CD1 3.98Å; L202-L206 HydrophobicContact CD1-CG 4.12Å; L202-L206 HydrophobicContact CG-CD1 3.92Å; L202-L206 HydrophobicContact CG-CG 4.45Å; L202-L206 WeakPolarHBondContact O-CB 3.35Å; L202-L206 VanDerWaalsContact O-CG 3.32Å; L202-L206 WeakPolarHBondContact O-CG 3.09Å; L202-L206 PolarHBondContact O-N 2.87Å
203	M	52	Low	61.2	Low	15 Å²	15	66.1 Å²	66.1	7%	0.074	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-47.4	175.7	-66.5	-166.6	-70.8	0	0	111.7	V113 M124 A199 C200 R205 L206 G207	V113-M203 HydrophobicContact CG1-CG 3.69Å; V113-M203 HydrophobicContact CG1-SD 3.61Å; V113-M203 HydrophobicContact CG2-SD 4.47Å; M124-M203 HydrophobicContact CE-CB 4.23Å; M124-M203 HydrophobicContact CE-CG 4.37Å; M124-M203 HydrophobicContact CE-SD 4.49Å; M124-M203 HydrophobicContact CG-CG 4.17Å; M124-M203 HydrophobicContact CG-SD 3.85Å; M124-M203 HydrophobicContact SD-CB 3.94Å; M124-M203 HydrophobicContact SD-CG 3.56Å; M124-M203 VanDerWaalsContact SD-CG 3.56Å; M124-M203 HydrophobicContact SD-SD 3.97Å; A199-M203 WeakPolarHBondContact O-CG 3.43Å; A199-M203 PolarHBondContact O-N 3.3Å; C200-M203 HydrophobicContact CB-CE 4.09Å; C200-M203 WeakPolarHBondContact O-CA 3.25Å; C200-M203 WeakPolarHBondContact O-CB 3.39Å; C200-M203 PolarHBondContact O-N 3.04Å; C200-M203 VanDerWaalsContact SG-CE 3.57Å; M203-R205 PolarHBondContact O-N 3.42Å; M203-L206 CarbonylContact O-C 3.55Å; M203-L206 PolarHBondContact O-N 3.49Å; M203-G207 PolarHBondContact O-N 2.85Å; M203-G207 VanDerWaalsContact O-N 3.08Å
204	D	52.4	Low	59.4	Low	129 Å²	129	70.3 Å²	70.3	69%	0.69	36%	0.355	S	S	*	.	H	α-helix	trans	-58.9	-33.5	178.4	-80.9	-11.9	0	0	0	112.4	C200	C200-D204 PolarHBondContact O-N 3.11Å
205	R	48.6	Very low	57.7	Low	93 Å²	93	65.2 Å²	65.2	35%	0.351	33%	0.326	S	S	.	.	H	α-helix	trans	-82	-22.7	177.8	-68.5	168.3	-171.8	-168.3	0.7	113.4	R86 E201 L202 M203	R86-R205 PolarHBondContact O-NH1 2.81Å; R86-R205 PolarHBondContact O-NH2 2.81Å; E201-R205 VanDerWaalsContact O-CD 3.32Å; E201-R205 WeakPolarHBondContact O-CD 3.32Å; E201-R205 WeakPolarHBondContact O-CG 3.32Å; E201-R205 PolarHBondContact O-N 2.82Å; E201-R205 IonicContact OE2-NH2 3.75Å; L202-R205 PolarHBondContact O-N 2.81Å; M203-R205 PolarHBondContact O-N 3.42Å
206	L	45	Very low	56.6	Low	38 Å²	38	65.7 Å²	65.7	20%	0.199	33%	0.327	C	S	.	.	H	α-helix	trans	-90	-2.8	175.9	-70.7	175.8	0	0	0	113.1	V36 L202 M203	V36-L206 VanDerWaalsContact CG1-O 3.26Å; V36-L206 WeakPolarHBondContact CG1-O 3.24Å; V36-L206 VanDerWaalsContact CG2-CA 3.43Å; V36-L206 WeakPolarHBondContact CG2-O 3.36Å; L202-L206 HydrophobicContact CD1-CD1 3.98Å; L202-L206 HydrophobicContact CD1-CG 4.12Å; L202-L206 HydrophobicContact CG-CD1 3.92Å; L202-L206 HydrophobicContact CG-CG 4.45Å; L202-L206 WeakPolarHBondContact O-CB 3.35Å; L202-L206 VanDerWaalsContact O-CG 3.32Å; L202-L206 WeakPolarHBondContact O-CG 3.09Å; L202-L206 PolarHBondContact O-N 2.87Å; M203-L206 CarbonylContact O-C 3.55Å; M203-L206 PolarHBondContact O-N 3.49Å
207	G	39.9	Very low	55	Low	51 Å²	51	68.8 Å²	68.8	53%	0.526	34%	0.344	S	S	.	.			trans	-87.8	0	171.2	0	0	0	0	0	114.8	I9 V36 M203	I9-G207 VanDerWaalsContact CD1-O 3.27Å; I9-G207 WeakPolarHBondContact CD1-O 2.96Å; V36-G207 WeakPolarHBondContact CG1-OXT 3.38Å; V36-G207 VanDerWaalsContact CG2-OXT 3.25Å; V36-G207 WeakPolarHBondContact CG2-OXT 3.43Å; M203-G207 PolarHBondContact O-N 2.85Å; M203-G207 VanDerWaalsContact O-N 3.08Å

Retrieved 207 of 207 residues in 106.9 ms (Link to these results)

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