A0A077ZAY4_TRITR Loading...

UBA domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZAY4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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	52.3	Low	58.7	Low	79 Å²	79	58.6 Å²	58.6	39%	0.389	34%	0.342	S	S	.	.				0	100.3	0	-156.2	179.3	-168.1	0	0	110.2	D17 N19 D65	M1-D17 HydrophobicContact CE-CB 3.75Å; M1-D17 VanDerWaalsContact CE-CG 3.42Å; M1-N19 WeakPolarHBondContact CE-ND2 3.39Å; M1-N19 WeakPolarHBondContact CE-OD1 3.43Å; M1-N19 WeakPolarHBondContact CG-OD1 3.47Å; M1-D65 CarbonylContact C-O 3.54Å; M1-D65 VanDerWaalsContact C-O 3.26Å; M1-D65 WeakPolarHBondContact CA-O 3.41Å; M1-D65 PolarHBondContact N-O 3.26Å; M1-D65 PolarHBondContact N-OD1 3.43Å; M1-D65 PolarHBondContact N-OD2 3.45Å; M1-D65 CarbonylContact O-C 3.53Å
2	V	58.1	Low	59.1	Low	21 Å²	21	65.7 Å²	65.7	13%	0.127	37%	0.369	C	S	.	.			trans	-71.7	129.9	174.8	-178.3	0	0	0	0	109.2	A18 I63 I69	V2-A18 PolarHBondContact O-N 3.24Å; V2-I63 HydrophobicContact CG2-CG2 3.98Å; V2-I69 HydrophobicContact CG1-CD1 3.6Å; V2-I69 HydrophobicContact CG1-CG1 4.05Å
3	R	61.2	Low	59.9	Low	127 Å²	127	71.4 Å²	71.4	48%	0.479	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.3	177	-71.6	-175.1	171.6	167.3	2.5	109.7	D17 A67 I68 I69	R3-D17 IonicContact NE-OD1 3.04Å; R3-D17 PolarHBondContact NE-OD1 2.99Å; R3-A67 PolarHBondContact N-O 3.25Å; R3-I68 VanDerWaalsContact O-CA 3.28Å; R3-I68 WeakPolarHBondContact O-CA 3.44Å; R3-I69 PolarHBondContact O-N 3.5Å
4	A	63	Low	60.7	Low	0 Å²	0	73.2 Å²	73.2	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.6	174.4	0	0	0	0	0	110.1	M16 A18 F31 I69	A4-M16 PolarHBondContact N-O 3.07Å; A4-M16 PolarHBondContact O-N 3.32Å; A4-A18 HydrophobicContact CB-CB 4.3Å; A4-F31 HydrophobicContact CB-CD2 4.43Å; A4-F31 HydrophobicContact CB-CE2 3.74Å; A4-F31 HydrophobicContact CB-CZ 3.87Å; A4-I69 CarbonylContact C-O 3.56Å; A4-I69 WeakPolarHBondContact CA-O 3.31Å
5	W	66.9	Low	61.3	Low	81 Å²	81	74.8 Å²	74.8	31%	0.307	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.3	165.9	-86.1	38.9	0	0	0	108.9	K13 I15 I68 I69 T70 L71	W5-K13 HydrophobicContact CE3-CD 4.43Å; W5-K13 HydrophobicContact CZ3-CD 3.98Å; W5-I15 HydrophobicContact CG-CG1 4.48Å; W5-I15 HydrophobicContact CZ2-CD1 4.03Å; W5-I68 HydrophobicContact CB-CG2 4.04Å; W5-I68 HydrophobicContact CD2-CG2 4.22Å; W5-I68 HydrophobicContact CG-CG2 3.58Å; W5-I69 PolarHBondContact N-O 2.95Å; W5-T70 WeakPolarHBondContact O-CA 3.48Å; W5-L71 PolarHBondContact O-N 3.38Å
6	L	62.2	Low	61.7	Low	0 Å²	0	73.1 Å²	73.1	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	116.3	170.8	-56.5	169.4	0	0	0	107.9	F8 K13 K14 M16 F31 H34 F35 L71	L6-F8 HydrophobicContact CB-CE2 3.93Å; L6-F8 HydrophobicContact CB-CZ 3.99Å; L6-F8 HydrophobicContact CD1-CZ 4.23Å; L6-K13 WeakPolarHBondContact O-CA 3.46Å; L6-K14 HydrophobicContact CB-CB 4.27Å; L6-K14 WeakPolarHBondContact CB-O 3.43Å; L6-K14 HydrophobicContact CD1-CB 4.33Å; L6-K14 HydrophobicContact CD1-CD 4.48Å; L6-K14 PolarHBondContact N-O 3Å; L6-K14 PolarHBondContact O-N 3.4Å; L6-M16 HydrophobicContact CD1-CG 3.92Å; L6-M16 HydrophobicContact CD1-SD 3.45Å; L6-M16 WeakPolarHBondContact CD1-SD 3.38Å; L6-F31 HydrophobicContact CD1-CD1 3.82Å; L6-F31 HydrophobicContact CD1-CE1 4.15Å; L6-F31 HydrophobicContact CD2-CB 3.8Å; L6-F31 HydrophobicContact CD2-CD1 3.61Å; L6-F31 HydrophobicContact CD2-CE1 4.33Å; L6-F31 HydrophobicContact CD2-CG 3.75Å; L6-F31 HydrophobicContact CG-CD1 4.2Å; L6-H34 HydrophobicContact CD1-CB 4.27Å; L6-F35 HydrophobicContact CB-CZ 4.14Å; L6-F35 HydrophobicContact CD2-CD2 4.36Å; L6-F35 HydrophobicContact CD2-CE2 3.37Å; L6-F35 HydrophobicContact CD2-CZ 3.75Å; L6-L71 HydrophobicContact CD2-CB 4.16Å; L6-L71 HydrophobicContact CD2-CD1 3.72Å
7	L	58.3	Low	62.2	Low	42 Å²	42	73.1 Å²	73.1	22%	0.22	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106	173.6	-74.3	177	0	0	0	109	K13 F35 T70 L71 L72	L7-K13 HydrophobicContact CD2-CB 4.15Å; L7-K13 HydrophobicContact CD2-CD 3.71Å; L7-K13 HydrophobicContact CD2-CG 3.55Å; L7-F35 WeakPolarHBondContact O-CE1 3.38Å; L7-T70 HydrophobicContact CD1-CG2 3.35Å; L7-T70 HydrophobicContact CG-CG2 3.96Å; L7-L71 PolarHBondContact N-O 3.01Å; L7-L72 HydrophobicContact CB-CD2 3.75Å; L7-L72 HydrophobicContact CD1-CD2 3.83Å; L7-L72 HydrophobicContact CG-CD2 4.43Å
8	F	56.9	Low	62.3	Low	49 Å²	49	69.4 Å²	69.4	22%	0.215	37%	0.369	C	S	.	.			trans	-79.5	155.1	176.4	-61.8	-75.2	0	0	0	111.1	L6 G10 G11 E12 K14 H34 F35	L6-F8 HydrophobicContact CB-CE2 3.93Å; L6-F8 HydrophobicContact CB-CZ 3.99Å; L6-F8 HydrophobicContact CD1-CZ 4.23Å; F8-G10 PolarHBondContact O-N 3.45Å; F8-G11 PolarHBondContact O-N 3.38Å; F8-E12 HydrophobicContact CB-CB 4.27Å; F8-E12 HydrophobicContact CD2-CB 4.03Å; F8-E12 WeakPolarHBondContact CD2-O 3.37Å; F8-E12 PolarHBondContact N-O 2.92Å; F8-K14 HydrophobicContact CE2-CB 3.94Å; F8-H34 VanDerWaalsContact CE1-O 3.23Å; F8-H34 WeakPolarHBondContact CE1-O 3.41Å; F8-H34 HydrophobicContact CZ-CB 4.39Å; F8-F35 AromaticContact CD1-CD1 3.98Å; F8-F35 HydrophobicContact CD1-CD1 3.98Å; F8-F35 HydrophobicContact CD1-CE1 4.09Å; F8-F35 AromaticContact CE1-CD1 3.99Å; F8-F35 HydrophobicContact CE1-CD1 3.99Å; F8-F35 HydrophobicContact CE1-CE1 4.15Å; F8-F35 HydrophobicContact CE1-CG 4.41Å
9	T	54.9	Low	62.1	Low	123 Å²	123	69.3 Å²	69.3	76%	0.755	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-12.4	-179.9	47.3	0	0	0	0	114.1	R73	T9-R73 HydrophobicContact CG2-CB 4.5Å
10	G	54.8	Low	62.1	Low	69 Å²	69	73.6 Å²	73.6	71%	0.711	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	7	174.5	0	0	0	0	0	115.2	F8 E12	F8-G10 PolarHBondContact O-N 3.45Å; G10-E12 PolarHBondContact O-N 3.14Å
11	G	56.6	Low	62.1	Low	54 Å²	54	70.8 Å²	70.8	56%	0.557	38%	0.378	S	S	*	.	S	Bend	trans	80.6	-2.1	-177.2	0	0	0	0	0	114.5	F8 K13	F8-G11 PolarHBondContact O-N 3.38Å; G11-K13 WeakPolarHBondContact O-CG 3.48Å; G11-K13 PolarHBondContact O-N 3.24Å
12	E	64.5	Low	62.8	Low	143 Å²	143	73 Å²	73	67%	0.668	39%	0.391	S	S	*	.			trans	-64.6	129	170.3	-67.3	-170.9	164.5	0	0	110	F8 G10	F8-E12 HydrophobicContact CB-CB 4.27Å; F8-E12 HydrophobicContact CD2-CB 4.03Å; F8-E12 WeakPolarHBondContact CD2-O 3.37Å; F8-E12 PolarHBondContact N-O 2.92Å; G10-E12 PolarHBondContact O-N 3.14Å
13	K	68.5	Low	63.5	Low	140 Å²	140	73.2 Å²	73.2	61%	0.609	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	118.6	179.4	-44.1	-167.4	178.2	171	0	108.1	W5 L6 L7 G11	W5-K13 HydrophobicContact CE3-CD 4.43Å; W5-K13 HydrophobicContact CZ3-CD 3.98Å; L6-K13 WeakPolarHBondContact O-CA 3.46Å; L7-K13 HydrophobicContact CD2-CB 4.15Å; L7-K13 HydrophobicContact CD2-CD 3.71Å; L7-K13 HydrophobicContact CD2-CG 3.55Å; G11-K13 WeakPolarHBondContact O-CG 3.48Å; G11-K13 PolarHBondContact O-N 3.24Å
14	K	71.4	Confident	64	Low	97 Å²	97	67.2 Å²	67.2	42%	0.422	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.3	174.4	-167.8	178.2	-178.6	-179.5	0	109.4	L6 F8 M16	L6-K14 HydrophobicContact CB-CB 4.27Å; L6-K14 WeakPolarHBondContact CB-O 3.43Å; L6-K14 HydrophobicContact CD1-CB 4.33Å; L6-K14 HydrophobicContact CD1-CD 4.48Å; L6-K14 PolarHBondContact N-O 3Å; L6-K14 PolarHBondContact O-N 3.4Å; F8-K14 HydrophobicContact CE2-CB 3.94Å; K14-M16 HydrophobicContact CD-CG 4.17Å; K14-M16 HydrophobicContact CD-SD 3.94Å; K14-M16 HydrophobicContact CG-CG 4.01Å; K14-M16 HydrophobicContact CG-SD 4.43Å
15	I	69.6	Low	64.3	Low	97 Å²	97	71.8 Å²	71.8	50%	0.497	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.4	173.7	-52.9	179.7	0	0	0	106.9	W5	W5-I15 HydrophobicContact CG-CG1 4.48Å; W5-I15 HydrophobicContact CZ2-CD1 4.03Å
16	M	67.7	Low	64.6	Low	47 Å²	47	70.5 Å²	70.5	23%	0.232	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.8	175.6	-67.1	-169.6	62.2	0	0	109.7	A4 L6 K14 A18 F31 H34	A4-M16 PolarHBondContact N-O 3.07Å; A4-M16 PolarHBondContact O-N 3.32Å; L6-M16 HydrophobicContact CD1-CG 3.92Å; L6-M16 HydrophobicContact CD1-SD 3.45Å; L6-M16 WeakPolarHBondContact CD1-SD 3.38Å; K14-M16 HydrophobicContact CD-CG 4.17Å; K14-M16 HydrophobicContact CD-SD 3.94Å; K14-M16 HydrophobicContact CG-CG 4.01Å; K14-M16 HydrophobicContact CG-SD 4.43Å; M16-A18 PolarHBondContact O-N 2.83Å; M16-F31 HydrophobicContact CB-CE1 3.62Å; M16-F31 HydrophobicContact CB-CZ 3.97Å; M16-F31 HydrophobicContact CE-CE1 3.98Å; M16-F31 HydrophobicContact CG-CE1 4.23Å; M16-F31 HydrophobicContact SD-CD1 4.29Å; M16-F31 HydrophobicContact SD-CE1 3.81Å; M16-H34 WeakPolarHBondContact CE-NE2 3.5Å
17	D	69.8	Low	65.2	Low	73 Å²	73	70.5 Å²	70.5	39%	0.39	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.3	174.1	-67.6	-43.4	0	0	0	109.5	M1 R3 N19	M1-D17 HydrophobicContact CE-CB 3.75Å; M1-D17 VanDerWaalsContact CE-CG 3.42Å; R3-D17 IonicContact NE-OD1 3.04Å; R3-D17 PolarHBondContact NE-OD1 2.99Å; D17-N19 VanDerWaalsContact C-N 3.29Å; D17-N19 PolarHBondContact O-N 3.46Å
18	A	63.9	Low	66.1	Low	7 Å²	7	68.8 Å²	68.8	6%	0.058	39%	0.385	C	S	.	.			trans	-93.7	64.7	175.1	0	0	0	0	0	109	V2 A4 M16 L27 F31	V2-A18 PolarHBondContact O-N 3.24Å; A4-A18 HydrophobicContact CB-CB 4.3Å; M16-A18 PolarHBondContact O-N 2.83Å; A18-L27 HydrophobicContact CB-CD1 3.44Å; A18-L27 VanDerWaalsContact CB-CD1 3.44Å; A18-F31 HydrophobicContact CB-CE2 4.18Å; A18-F31 HydrophobicContact CB-CZ 4.42Å
19	N	58.7	Low	66.9	Low	68 Å²	68	74.1 Å²	74.1	36%	0.364	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	138.7	168.3	-59.4	-22.1	0	0	0	108.2	M1 D17 K30	M1-N19 WeakPolarHBondContact CE-ND2 3.39Å; M1-N19 WeakPolarHBondContact CE-OD1 3.43Å; M1-N19 WeakPolarHBondContact CG-OD1 3.47Å; D17-N19 VanDerWaalsContact C-N 3.29Å; D17-N19 PolarHBondContact O-N 3.46Å; N19-K30 PolarHBondContact O-NZ 3.13Å
20	D	62.1	Low	67.7	Low	154 Å²	154	72.5 Å²	72.5	82%	0.824	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	36.6	175.4	-38.3	-44.1	0	0	0	116.1
21	C	62	Low	68.6	Low	16 Å²	16	69.2 Å²	69.2	11%	0.108	36%	0.357	C	S	.	.			trans	-117.6	111.6	170.7	-65.2	0	0	0	0	110	L27 K30 L57	C21-L27 HydrophobicContact CB-CB 4.37Å; C21-L27 HydrophobicContact CB-CD1 4.01Å; C21-K30 VanDerWaalsContact SG-CD 3.6Å; C21-L57 HydrophobicContact CB-CD1 4.02Å; C21-L57 WeakPolarHBondContact O-CD1 3.4Å
22	D	67.9	Low	69.3	Low	124 Å²	124	67.3 Å²	67.3	66%	0.663	34%	0.336	S	S	*	.			trans	-87.1	-23.1	179	-59.9	-34.4	0	0	0	112.8	H56 L57	D22-H56 CarbonylContact O-C 3.56Å; D22-H56 WeakPolarHBondContact O-CA 3.47Å; D22-L57 PolarHBondContact O-N 2.85Å
23	T	73.6	Confident	69.6	Low	27 Å²	27	65 Å²	65	17%	0.166	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-132.1	154.1	-176.3	52.3	0	0	0	0	112	E25 S26 L27 H56	T23-E25 PolarHBondContact O-N 3.25Å; T23-S26 PolarHBondContact O-N 3.13Å; T23-S26 VanDerWaalsContact O-N 3.17Å; T23-S26 WeakPolarHBondContact OG1-CB 3.41Å; T23-S26 PolarHBondContact OG1-N 3.36Å; T23-S26 PolarHBondContact OG1-OG 3.43Å; T23-L27 PolarHBondContact O-N 3.13Å; T23-H56 WeakPolarHBondContact CG2-ND1 3.47Å
24	V	70.5	Confident	69.5	Low	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.4	-33.6	172.3	172.6	0	0	0	0	111.3	L27 K28 A44 L51 T55 L57	V24-L27 WeakPolarHBondContact O-CB 3.44Å; V24-L27 PolarHBondContact O-N 3.26Å; V24-K28 HydrophobicContact CG1-CD 4.34Å; V24-K28 HydrophobicContact CG1-CG 4.37Å; V24-K28 WeakPolarHBondContact O-CB 3.25Å; V24-K28 VanDerWaalsContact O-CG 3.29Å; V24-K28 WeakPolarHBondContact O-CG 3.36Å; V24-K28 PolarHBondContact O-N 3.22Å; V24-A44 HydrophobicContact CG1-CB 3.54Å; V24-L51 HydrophobicContact CG2-CB 3.99Å; V24-L51 HydrophobicContact CG2-CD1 3.93Å; V24-T55 WeakPolarHBondContact CG2-O 3.17Å; V24-T55 PolarHBondContact N-O 3.4Å; V24-T55 VanDerWaalsContact N-O 3.16Å; V24-L57 HydrophobicContact CG2-CD2 3.77Å
25	E	69.6	Low	69.2	Low	97 Å²	97	58 Å²	58	45%	0.453	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-46.3	172.4	-72.5	179.8	-177	0	0	113.2	T23 L27 K28 K29 D53	T23-E25 PolarHBondContact O-N 3.25Å; E25-L27 VanDerWaalsContact C-N 3.26Å; E25-L27 PolarHBondContact O-N 3.28Å; E25-K28 PolarHBondContact O-N 2.84Å; E25-K29 WeakPolarHBondContact O-CB 3.31Å; E25-K29 PolarHBondContact O-N 2.85Å; E25-D53 HydrophobicContact CG-CB 3.73Å
26	S	73.9	Confident	69.1	Low	53 Å²	53	62.1 Å²	62.1	37%	0.371	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-39.6	175.7	-64.7	0	0	0	0	111.1	T23 K29 K30	T23-S26 PolarHBondContact O-N 3.13Å; T23-S26 VanDerWaalsContact O-N 3.17Å; T23-S26 WeakPolarHBondContact OG1-CB 3.41Å; T23-S26 PolarHBondContact OG1-N 3.36Å; T23-S26 PolarHBondContact OG1-OG 3.43Å; S26-K29 PolarHBondContact O-N 3.47Å; S26-K30 VanDerWaalsContact O-CB 3.3Å; S26-K30 WeakPolarHBondContact O-CB 3.35Å; S26-K30 PolarHBondContact O-N 3.04Å
27	L	75.1	Confident	68.6	Low	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-51.9	174.2	-166.5	79.4	0	0	0	110.7	A18 C21 T23 V24 E25 K29 K30 F31 L57 I69 L71	A18-L27 HydrophobicContact CB-CD1 3.44Å; A18-L27 VanDerWaalsContact CB-CD1 3.44Å; C21-L27 HydrophobicContact CB-CB 4.37Å; C21-L27 HydrophobicContact CB-CD1 4.01Å; T23-L27 PolarHBondContact O-N 3.13Å; V24-L27 WeakPolarHBondContact O-CB 3.44Å; V24-L27 PolarHBondContact O-N 3.26Å; E25-L27 VanDerWaalsContact C-N 3.26Å; E25-L27 PolarHBondContact O-N 3.28Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 3.03Å; L27-K30 PolarHBondContact O-N 2.93Å; L27-F31 HydrophobicContact CD1-CD2 3.96Å; L27-F31 HydrophobicContact CD1-CE2 3.54Å; L27-F31 HydrophobicContact CG-CD2 3.94Å; L27-F31 HydrophobicContact CG-CE2 4.05Å; L27-F31 WeakPolarHBondContact O-CD2 3.42Å; L27-F31 PolarHBondContact O-N 3.35Å; L27-L57 HydrophobicContact CB-CD1 4.35Å; L27-L57 HydrophobicContact CD1-CD1 4.35Å; L27-L57 HydrophobicContact CD2-CD1 4.5Å; L27-I69 HydrophobicContact CD2-CB 4.17Å; L27-I69 HydrophobicContact CD2-CD1 3.89Å; L27-I69 HydrophobicContact CD2-CG2 3.71Å; L27-L71 HydrophobicContact CD2-CD1 4.32Å; L27-L71 HydrophobicContact CD2-CD2 4.15Å; L27-L71 HydrophobicContact CD2-CG 4.43Å; L27-L71 HydrophobicContact CG-CD1 4.28Å
28	K	75.3	Confident	68.6	Low	7 Å²	7	61.2 Å²	61.2	3%	0.03	32%	0.318	C	S	.	.	H	α-helix	trans	-58.4	-44.5	177.3	-74.2	177	180	-163.1	0	111.6	V24 E25 K30 F31 A32 H39 L42 D53 L71	V24-K28 HydrophobicContact CG1-CD 4.34Å; V24-K28 HydrophobicContact CG1-CG 4.37Å; V24-K28 WeakPolarHBondContact O-CB 3.25Å; V24-K28 VanDerWaalsContact O-CG 3.29Å; V24-K28 WeakPolarHBondContact O-CG 3.36Å; V24-K28 PolarHBondContact O-N 3.22Å; E25-K28 PolarHBondContact O-N 2.84Å; K28-K30 PolarHBondContact O-N 3.45Å; K28-F31 CarbonylContact O-C 3.26Å; K28-F31 PolarHBondContact O-N 3.47Å; K28-A32 WeakPolarHBondContact O-CA 3.38Å; K28-A32 VanDerWaalsContact O-CB 3.22Å; K28-A32 WeakPolarHBondContact O-CB 3.43Å; K28-A32 PolarHBondContact O-N 3Å; K28-H39 HydrophobicContact CB-CB 4.43Å; K28-L42 HydrophobicContact CB-CB 4.49Å; K28-L42 HydrophobicContact CB-CD1 4.39Å; K28-L42 HydrophobicContact CD-CB 4.33Å; K28-L42 WeakPolarHBondContact CE-O 3.43Å; K28-L42 HydrophobicContact CG-CB 4.01Å; K28-L42 PolarHBondContact NZ-O 3.47Å; K28-D53 WeakPolarHBondContact CE-OD1 3.36Å; K28-D53 IonicContact NZ-OD1 2.63Å; K28-D53 PolarHBondContact NZ-OD1 3.42Å; K28-D53 IonicContact NZ-OD2 2.78Å; K28-D53 PolarHBondContact NZ-OD2 3Å; K28-L71 HydrophobicContact CG-CD2 4.5Å
29	K	74.5	Confident	68.4	Low	161 Å²	161	65 Å²	65	70%	0.7	33%	0.334	S	S	*	.	H	α-helix	trans	-64.9	-38.3	178.6	-170.6	175.2	-177.9	176.6	0	112.4	E25 S26 L27 P33	E25-K29 WeakPolarHBondContact O-CB 3.31Å; E25-K29 PolarHBondContact O-N 2.85Å; S26-K29 PolarHBondContact O-N 3.47Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 3.03Å; K29-P33 WeakPolarHBondContact O-CD 3.11Å
30	K	72.6	Confident	68.7	Low	88 Å²	88	66.1 Å²	66.1	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-67	-36.6	176.8	-172.5	173.6	-177.2	170.5	0	112.1	N19 C21 S26 L27 K28 P33	N19-K30 PolarHBondContact O-NZ 3.13Å; C21-K30 VanDerWaalsContact SG-CD 3.6Å; S26-K30 VanDerWaalsContact O-CB 3.3Å; S26-K30 WeakPolarHBondContact O-CB 3.35Å; S26-K30 PolarHBondContact O-N 3.04Å; L27-K30 PolarHBondContact O-N 2.93Å; K28-K30 PolarHBondContact O-N 3.45Å; K30-P33 WeakPolarHBondContact O-CD 3.3Å; K30-P33 WeakPolarHBondContact O-CG 3.11Å
31	F	73.8	Confident	69	Low	1 Å²	1	61.8 Å²	61.8	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-98.6	-11.1	-177.5	-67.3	-68.3	0	0	0	114.7	A4 L6 M16 A18 L27 K28 P33 H34 F35 L71	A4-F31 HydrophobicContact CB-CD2 4.43Å; A4-F31 HydrophobicContact CB-CE2 3.74Å; A4-F31 HydrophobicContact CB-CZ 3.87Å; L6-F31 HydrophobicContact CD1-CD1 3.82Å; L6-F31 HydrophobicContact CD1-CE1 4.15Å; L6-F31 HydrophobicContact CD2-CB 3.8Å; L6-F31 HydrophobicContact CD2-CD1 3.61Å; L6-F31 HydrophobicContact CD2-CE1 4.33Å; L6-F31 HydrophobicContact CD2-CG 3.75Å; L6-F31 HydrophobicContact CG-CD1 4.2Å; M16-F31 HydrophobicContact CB-CE1 3.62Å; M16-F31 HydrophobicContact CB-CZ 3.97Å; M16-F31 HydrophobicContact CE-CE1 3.98Å; M16-F31 HydrophobicContact CG-CE1 4.23Å; M16-F31 HydrophobicContact SD-CD1 4.29Å; M16-F31 HydrophobicContact SD-CE1 3.81Å; A18-F31 HydrophobicContact CB-CE2 4.18Å; A18-F31 HydrophobicContact CB-CZ 4.42Å; L27-F31 HydrophobicContact CD1-CD2 3.96Å; L27-F31 HydrophobicContact CD1-CE2 3.54Å; L27-F31 HydrophobicContact CG-CD2 3.94Å; L27-F31 HydrophobicContact CG-CE2 4.05Å; L27-F31 WeakPolarHBondContact O-CD2 3.42Å; L27-F31 PolarHBondContact O-N 3.35Å; K28-F31 CarbonylContact O-C 3.26Å; K28-F31 PolarHBondContact O-N 3.47Å; F31-P33 VanDerWaalsContact C-CD 3.45Å; F31-H34 AromaticContact CD1-CD2 3.88Å; F31-H34 WeakPolarHBondContact O-CA 3.33Å; F31-H34 WeakPolarHBondContact O-CB 3.34Å; F31-H34 PolarHBondContact O-N 3.06Å; F31-F35 HydrophobicContact CB-CE2 4.44Å; F31-F35 WeakPolarHBondContact O-CD2 3.39Å; F31-F35 PolarHBondContact O-N 3.39Å; F31-L71 HydrophobicContact CB-CD1 3.62Å; F31-L71 HydrophobicContact CD2-CD1 3.48Å; F31-L71 VanDerWaalsContact CD2-CD1 3.48Å; F31-L71 HydrophobicContact CE2-CD1 4.36Å; F31-L71 HydrophobicContact CG-CD1 3.71Å
32	A	70.4	Confident	69.3	Low	14 Å²	14	61 Å²	61	12%	0.116	31%	0.31	C	S	.	.	H	α-helix	trans	-45.8	-47.6	168.6	0	0	0	0	0	114.1	K28 H34 F35 E36 C37 L42	K28-A32 WeakPolarHBondContact O-CA 3.38Å; K28-A32 VanDerWaalsContact O-CB 3.22Å; K28-A32 WeakPolarHBondContact O-CB 3.43Å; K28-A32 PolarHBondContact O-N 3Å; A32-H34 PolarHBondContact O-N 3.45Å; A32-F35 PolarHBondContact O-N 3.16Å; A32-F35 VanDerWaalsContact O-N 3.14Å; A32-E36 PolarHBondContact O-N 2.66Å; A32-C37 WeakPolarHBondContact CB-O 3.29Å; A32-C37 PolarHBondContact O-N 3.37Å; A32-L42 HydrophobicContact CB-CD1 4.28Å
33	P	70.2	Confident	69.6	Low	95 Å²	95	57.2 Å²	57.2	62%	0.617	29%	0.289	S	S	*	.	H	α-helix	trans	-64.3	-25.1	177	24.9	-35.8	0	0	0	113.2	K29 K30 F31	K29-P33 WeakPolarHBondContact O-CD 3.11Å; K30-P33 WeakPolarHBondContact O-CD 3.3Å; K30-P33 WeakPolarHBondContact O-CG 3.11Å; F31-P33 VanDerWaalsContact C-CD 3.45Å
34	H	66.7	Low	69.6	Low	76 Å²	76	56 Å²	56	35%	0.352	28%	0.281	S	S	.	.	H	α-helix	trans	-75.1	-31.2	175.7	-76.5	-60.6	0	0	0	112.7	L6 F8 M16 F31 A32	L6-H34 HydrophobicContact CD1-CB 4.27Å; F8-H34 VanDerWaalsContact CE1-O 3.23Å; F8-H34 WeakPolarHBondContact CE1-O 3.41Å; F8-H34 HydrophobicContact CZ-CB 4.39Å; M16-H34 WeakPolarHBondContact CE-NE2 3.5Å; F31-H34 AromaticContact CD1-CD2 3.88Å; F31-H34 WeakPolarHBondContact O-CA 3.33Å; F31-H34 WeakPolarHBondContact O-CB 3.34Å; F31-H34 PolarHBondContact O-N 3.06Å; A32-H34 PolarHBondContact O-N 3.45Å
35	F	65.6	Low	69.8	Low	12 Å²	12	57.4 Å²	57.4	5%	0.053	29%	0.289	C	S	.	.	H	α-helix	trans	-86.8	-5.8	177.2	-73.4	-80.7	0	0	0	113.8	L6 L7 F8 F31 A32 C37 L42 L71 R73	L6-F35 HydrophobicContact CB-CZ 4.14Å; L6-F35 HydrophobicContact CD2-CD2 4.36Å; L6-F35 HydrophobicContact CD2-CE2 3.37Å; L6-F35 HydrophobicContact CD2-CZ 3.75Å; L7-F35 WeakPolarHBondContact O-CE1 3.38Å; F8-F35 AromaticContact CD1-CD1 3.98Å; F8-F35 HydrophobicContact CD1-CD1 3.98Å; F8-F35 HydrophobicContact CD1-CE1 4.09Å; F8-F35 AromaticContact CE1-CD1 3.99Å; F8-F35 HydrophobicContact CE1-CD1 3.99Å; F8-F35 HydrophobicContact CE1-CE1 4.15Å; F8-F35 HydrophobicContact CE1-CG 4.41Å; F31-F35 HydrophobicContact CB-CE2 4.44Å; F31-F35 WeakPolarHBondContact O-CD2 3.39Å; F31-F35 PolarHBondContact O-N 3.39Å; A32-F35 PolarHBondContact O-N 3.16Å; A32-F35 VanDerWaalsContact O-N 3.14Å; F35-C37 HydrophobicContact CB-CB 3.92Å; F35-C37 PolarHBondContact O-N 3.33Å; F35-C37 PolarHBondContact O-SG 2.9Å; F35-L42 HydrophobicContact CB-CD2 3.91Å; F35-L42 HydrophobicContact CD1-CD2 4.03Å; F35-L42 HydrophobicContact CD2-CD1 3.88Å; F35-L42 HydrophobicContact CD2-CD2 3.31Å; F35-L42 HydrophobicContact CD2-CG 4.26Å; F35-L42 HydrophobicContact CE1-CD2 4.37Å; F35-L42 HydrophobicContact CE2-CD1 4.42Å; F35-L42 HydrophobicContact CE2-CD2 3.7Å; F35-L42 HydrophobicContact CG-CD2 3.49Å; F35-L42 VanDerWaalsContact CG-CD2 3.49Å; F35-L42 HydrophobicContact CZ-CD2 4.22Å; F35-L71 HydrophobicContact CE2-CB 3.8Å; F35-L71 HydrophobicContact CE2-CD1 4.43Å; F35-L71 HydrophobicContact CZ-CB 3.84Å; F35-L71 WeakPolarHBondContact CZ-O 3.44Å; F35-R73 HydrophobicContact CD1-CB 4.17Å
36	E	68.1	Low	69.9	Low	184 Å²	184	54 Å²	54	86%	0.86	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	36.9	-167.8	-59.1	178.3	175.6	0	0	111.6	A32	A32-E36 PolarHBondContact O-N 2.66Å
37	C	57.2	Low	69.6	Low	15 Å²	15	59.3 Å²	59.3	10%	0.101	30%	0.297	C	S	.	.	S	Bend	trans	-131.6	155.9	-172	-70.5	0	0	0	0	111.9	A32 F35 Q41 R73	A32-C37 WeakPolarHBondContact CB-O 3.29Å; A32-C37 PolarHBondContact O-N 3.37Å; F35-C37 HydrophobicContact CB-CB 3.92Å; F35-C37 PolarHBondContact O-N 3.33Å; F35-C37 PolarHBondContact O-SG 2.9Å; C37-Q41 HydrophobicContact CB-CB 4.27Å; C37-R73 WeakPolarHBondContact SG-CD 3.44Å; C37-R73 PolarHBondContact SG-NE 3.37Å; C37-R73 PolarHBondContact SG-NH2 3.05Å; C37-R73 VanDerWaalsContact SG-NH2 3.41Å
38	D	68.2	Low	69.2	Low	87 Å²	87	63.9 Å²	63.9	47%	0.465	33%	0.334	S	S	.	.			trans	-69.4	147.8	170	-157.8	4.5	0	0	0	111	D40 Q41	D38-D40 PolarHBondContact O-N 3.27Å; D38-D40 VanDerWaalsContact O-N 3.15Å; D38-Q41 HydrophobicContact CB-CG 4.4Å; D38-Q41 WeakPolarHBondContact O-CB 3.4Å; D38-Q41 PolarHBondContact O-N 3.07Å
39	H	61	Low	69.1	Low	85 Å²	85	70.9 Å²	70.9	39%	0.394	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-54	-33.7	-178.7	60.9	-62.8	0	0	0	113	K28 Q41 L42	K28-H39 HydrophobicContact CB-CB 4.43Å; H39-Q41 PolarHBondContact O-N 2.97Å; H39-L42 PolarHBondContact O-N 3.05Å
40	D	65.2	Low	69	Low	92 Å²	92	69.8 Å²	69.8	49%	0.492	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-67.8	-21.1	177	-69.1	-24.3	0	0	0	114.2	D38 L42	D38-D40 PolarHBondContact O-N 3.27Å; D38-D40 VanDerWaalsContact O-N 3.15Å; D40-L42 VanDerWaalsContact C-N 3.3Å
41	Q	67.3	Low	68.8	Low	63 Å²	63	66.2 Å²	66.2	29%	0.294	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-87.2	0.5	177	-57.7	-175.1	-0.4	0	0	112.2	C37 D38 H39 R73 R74	C37-Q41 HydrophobicContact CB-CB 4.27Å; D38-Q41 HydrophobicContact CB-CG 4.4Å; D38-Q41 WeakPolarHBondContact O-CB 3.4Å; D38-Q41 PolarHBondContact O-N 3.07Å; H39-Q41 PolarHBondContact O-N 2.97Å; Q41-R73 CarbonylContact O-C 3.24Å; Q41-R74 WeakPolarHBondContact O-CA 3.47Å; Q41-R74 VanDerWaalsContact O-CB 3.23Å; Q41-R74 WeakPolarHBondContact O-CB 3.42Å; Q41-R74 WeakPolarHBondContact O-CG 3.38Å; Q41-R74 PolarHBondContact O-N 2.96Å
42	L	68.2	Low	68.6	Low	0 Å²	0	70 Å²	70	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.4	178	-65.1	175.2	0	0	0	111	K28 A32 F35 H39 D40 L72	K28-L42 HydrophobicContact CB-CB 4.49Å; K28-L42 HydrophobicContact CB-CD1 4.39Å; K28-L42 HydrophobicContact CD-CB 4.33Å; K28-L42 WeakPolarHBondContact CE-O 3.43Å; K28-L42 HydrophobicContact CG-CB 4.01Å; K28-L42 PolarHBondContact NZ-O 3.47Å; A32-L42 HydrophobicContact CB-CD1 4.28Å; F35-L42 HydrophobicContact CB-CD2 3.91Å; F35-L42 HydrophobicContact CD1-CD2 4.03Å; F35-L42 HydrophobicContact CD2-CD1 3.88Å; F35-L42 HydrophobicContact CD2-CD2 3.31Å; F35-L42 HydrophobicContact CD2-CG 4.26Å; F35-L42 HydrophobicContact CE1-CD2 4.37Å; F35-L42 HydrophobicContact CE2-CD1 4.42Å; F35-L42 HydrophobicContact CE2-CD2 3.7Å; F35-L42 HydrophobicContact CG-CD2 3.49Å; F35-L42 VanDerWaalsContact CG-CD2 3.49Å; F35-L42 HydrophobicContact CZ-CD2 4.22Å; H39-L42 PolarHBondContact O-N 3.05Å; D40-L42 VanDerWaalsContact C-N 3.3Å; L42-L72 WeakPolarHBondContact CA-O 3.4Å
43	E	75.2	Confident	68.4	Low	45 Å²	45	71.3 Å²	71.3	21%	0.21	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.2	168.6	-91.2	175.1	-163.8	0	0	109.4	R50 L71 L72 R74	E43-R50 IonicContact OE1-CZ 3.97Å; E43-L71 WeakPolarHBondContact O-CA 3.33Å; E43-L72 PolarHBondContact N-O 3.19Å; E43-L72 PolarHBondContact O-N 3.43Å; E43-R74 HydrophobicContact CB-CG 4.06Å; E43-R74 HydrophobicContact CG-CG 3.5Å; E43-R74 VanDerWaalsContact CG-CG 3.5Å; E43-R74 WeakPolarHBondContact OE1-CD 3.45Å; E43-R74 IonicContact OE1-CZ 2.88Å; E43-R74 IonicContact OE1-NE 3.95Å; E43-R74 PolarHBondContact OE1-NE 2.88Å; E43-R74 IonicContact OE1-NH2 2.78Å
44	A	73.1	Confident	67.9	Low	1 Å²	1	73.1 Å²	73.1	1%	0.008	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.8	171.2	0	0	0	0	0	109.6	V24 L51 I69 T70 L71	V24-A44 HydrophobicContact CG1-CB 3.54Å; A44-L51 HydrophobicContact CB-CB 4.28Å; A44-L51 HydrophobicContact CB-CD1 4.42Å; A44-L51 PolarHBondContact O-N 3.31Å; A44-I69 HydrophobicContact CB-CG2 3.99Å; A44-T70 CarbonylContact C-O 3.41Å; A44-L71 HydrophobicContact CB-CD2 3.76Å
45	L	74.8	Confident	67.9	Low	30 Å²	30	70.7 Å²	70.7	16%	0.157	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.7	179.4	-67.2	164.6	0	0	0	109.9	K49 R50 T70 L72	L45-K49 VanDerWaalsContact CA-O 3.31Å; L45-K49 WeakPolarHBondContact CA-O 3.39Å; L45-R50 HydrophobicContact CD2-CB 4.23Å; L45-T70 PolarHBondContact N-O 3.31Å; L45-T70 PolarHBondContact O-N 2.91Å; L45-L72 HydrophobicContact CD1-CD1 3.3Å; L45-L72 HydrophobicContact CD1-CG 4.11Å
46	L	72.3	Confident	67.8	Low	24 Å²	24	75.4 Å²	75.4	13%	0.126	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.1	165.7	178.6	70.1	0	0	0	107.8	A48 K49 L51 I63 A67	L46-A48 PolarHBondContact O-N 2.84Å; L46-K49 PolarHBondContact N-O 3.1Å; L46-K49 WeakPolarHBondContact O-CA 3.4Å; L46-K49 VanDerWaalsContact O-CB 3.3Å; L46-K49 WeakPolarHBondContact O-CB 3.29Å; L46-K49 PolarHBondContact O-N 3.36Å; L46-L51 HydrophobicContact CB-CD1 4.03Å; L46-L51 HydrophobicContact CB-CD2 4.05Å; L46-L51 HydrophobicContact CB-CG 4.13Å; L46-I63 HydrophobicContact CD2-CG1 3.82Å; L46-A67 HydrophobicContact CD1-CB 4.12Å
47	L	67.5	Low	67.5	Low	166 Å²	166	67.6 Å²	67.6	87%	0.869	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	45.2	-179.3	-58.8	173.2	0	0	0	112.9	K49	L47-K49 PolarHBondContact O-N 2.92Å; L47-K49 VanDerWaalsContact O-N 3.17Å
48	A	66.5	Low	67.6	Low	95 Å²	95	70 Å²	70	79%	0.785	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	4.7	-175.1	0	0	0	0	0	116.5	L46	L46-A48 PolarHBondContact O-N 2.84Å
49	K	73.6	Confident	67	Low	155 Å²	155	69.5 Å²	69.5	67%	0.674	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.6	170.6	-171.6	177.5	178.1	-178.7	0	110.4	L45 L46 L47 L51	L45-K49 VanDerWaalsContact CA-O 3.31Å; L45-K49 WeakPolarHBondContact CA-O 3.39Å; L46-K49 PolarHBondContact N-O 3.1Å; L46-K49 WeakPolarHBondContact O-CA 3.4Å; L46-K49 VanDerWaalsContact O-CB 3.3Å; L46-K49 WeakPolarHBondContact O-CB 3.29Å; L46-K49 PolarHBondContact O-N 3.36Å; L47-K49 PolarHBondContact O-N 2.92Å; L47-K49 VanDerWaalsContact O-N 3.17Å; K49-L51 PolarHBondContact O-N 3.43Å
50	R	72.1	Confident	66.6	Low	137 Å²	137	73 Å²	73	52%	0.517	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	122	173.3	-176.4	176.3	173.7	-168.4	-3	109.7	E43 L45	E43-R50 IonicContact OE1-CZ 3.97Å; L45-R50 HydrophobicContact CD2-CB 4.23Å
51	L	67.3	Low	66.1	Low	14 Å²	14	70.9 Å²	70.9	7%	0.073	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.8	172.1	-62.5	179	0	0	0	108.8	V24 A44 L46 K49 T55 I69	V24-L51 HydrophobicContact CG2-CB 3.99Å; V24-L51 HydrophobicContact CG2-CD1 3.93Å; A44-L51 HydrophobicContact CB-CB 4.28Å; A44-L51 HydrophobicContact CB-CD1 4.42Å; A44-L51 PolarHBondContact O-N 3.31Å; L46-L51 HydrophobicContact CB-CD1 4.03Å; L46-L51 HydrophobicContact CB-CD2 4.05Å; L46-L51 HydrophobicContact CB-CG 4.13Å; K49-L51 PolarHBondContact O-N 3.43Å; L51-T55 HydrophobicContact CD2-CG2 4.43Å; L51-I69 HydrophobicContact CD1-CG2 4.34Å
52	P	70.1	Confident	65.6	Low	80 Å²	80	70.4 Å²	70.4	52%	0.519	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-65.6	154.1	167.6	23.6	-27.5	0	0	0	110.6	N54 T55	P52-N54 PolarHBondContact O-N 2.97Å; P52-T55 WeakPolarHBondContact CD-OG1 3.48Å; P52-T55 VanDerWaalsContact CG-OG1 3.24Å; P52-T55 WeakPolarHBondContact CG-OG1 3.48Å; P52-T55 VanDerWaalsContact O-CB 3.28Å; P52-T55 WeakPolarHBondContact O-CB 3.27Å; P52-T55 PolarHBondContact O-N 3.29Å; P52-T55 PolarHBondContact O-OG1 3.35Å
53	D	65.3	Low	65.2	Low	42 Å²	42	70.7 Å²	70.7	23%	0.225	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-31.5	-170.9	-65.6	17.2	0	0	0	111.6	E25 K28 T55	E25-D53 HydrophobicContact CG-CB 3.73Å; K28-D53 WeakPolarHBondContact CE-OD1 3.36Å; K28-D53 IonicContact NZ-OD1 2.63Å; K28-D53 PolarHBondContact NZ-OD1 3.42Å; K28-D53 IonicContact NZ-OD2 2.78Å; K28-D53 PolarHBondContact NZ-OD2 3Å; D53-T55 PolarHBondContact O-N 2.94Å; D53-T55 VanDerWaalsContact O-N 3.16Å
54	N	61.1	Low	64.5	Low	133 Å²	133	74.1 Å²	74.1	71%	0.711	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	3.9	174.1	-59.6	-37.8	0	0	0	114.7	P52 H56	P52-N54 PolarHBondContact O-N 2.97Å; N54-H56 PolarHBondContact O-N 3.18Å
55	T	67.2	Low	63.9	Low	24 Å²	24	80.1 Å²	80.1	15%	0.147	46%	0.456	C	S	.	.			trans	-76.8	119.1	179.8	-44.6	0	0	0	0	109.4	V24 L51 P52 D53 A61	V24-T55 WeakPolarHBondContact CG2-O 3.17Å; V24-T55 PolarHBondContact N-O 3.4Å; V24-T55 VanDerWaalsContact N-O 3.16Å; L51-T55 HydrophobicContact CD2-CG2 4.43Å; P52-T55 WeakPolarHBondContact CD-OG1 3.48Å; P52-T55 VanDerWaalsContact CG-OG1 3.24Å; P52-T55 WeakPolarHBondContact CG-OG1 3.48Å; P52-T55 VanDerWaalsContact O-CB 3.28Å; P52-T55 WeakPolarHBondContact O-CB 3.27Å; P52-T55 PolarHBondContact O-N 3.29Å; P52-T55 PolarHBondContact O-OG1 3.35Å; D53-T55 PolarHBondContact O-N 2.94Å; D53-T55 VanDerWaalsContact O-N 3.16Å; T55-A61 HydrophobicContact CG2-CB 4.09Å
56	H	63.1	Low	63.5	Low	112 Å²	112	87.4 Å²	87.4	52%	0.519	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-70.8	136.4	168.2	-71.4	-77.5	0	0	0	109.9	D22 T23 N54 T58	D22-H56 CarbonylContact O-C 3.56Å; D22-H56 WeakPolarHBondContact O-CA 3.47Å; T23-H56 WeakPolarHBondContact CG2-ND1 3.47Å; N54-H56 PolarHBondContact O-N 3.18Å; H56-T58 HydrophobicContact CB-CG2 4.07Å; H56-T58 PolarHBondContact O-N 2.95Å
57	L	61.9	Low	63.3	Low	20 Å²	20	87 Å²	87	11%	0.105	49%	0.486	C	S	.	.			trans	-79	44.1	177.7	-59.1	-178.2	0	0	0	111	C21 D22 V24 L27 I63 I69	C21-L57 HydrophobicContact CB-CD1 4.02Å; C21-L57 WeakPolarHBondContact O-CD1 3.4Å; D22-L57 PolarHBondContact O-N 2.85Å; V24-L57 HydrophobicContact CG2-CD2 3.77Å; L27-L57 HydrophobicContact CB-CD1 4.35Å; L27-L57 HydrophobicContact CD1-CD1 4.35Å; L27-L57 HydrophobicContact CD2-CD1 4.5Å; L57-I63 HydrophobicContact CD2-CD1 3.65Å; L57-I69 HydrophobicContact CD1-CD1 4.18Å; L57-I69 HydrophobicContact CD2-CD1 3.48Å; L57-I69 VanDerWaalsContact CD2-CD1 3.48Å; L57-I69 HydrophobicContact CG-CD1 4.47Å
58	T	58.1	Low	63.4	Low	66 Å²	66	82.7 Å²	82.7	41%	0.405	46%	0.463	S	S	.	.	S	Bend	trans	-97.6	156.9	-179.1	54.3	0	0	0	0	111.3	H56 D60 A61	H56-T58 HydrophobicContact CB-CG2 4.07Å; H56-T58 PolarHBondContact O-N 2.95Å; T58-D60 PolarHBondContact O-N 3.14Å; T58-D60 VanDerWaalsContact O-N 3.14Å; T58-A61 WeakPolarHBondContact O-CB 3.32Å; T58-A61 PolarHBondContact O-N 3.34Å
59	A	56	Low	63.8	Low	75 Å²	75	78.1 Å²	78.1	62%	0.62	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-55.9	-28.9	176.7	0	0	0	0	0	112.8	A61 G62	A59-A61 PolarHBondContact O-N 3.38Å; A59-G62 PolarHBondContact O-N 3.03Å
60	D	53.7	Low	63.9	Low	159 Å²	159	72.2 Å²	72.2	85%	0.85	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-61.5	-24.7	176.2	-62	-31.3	0	0	0	113.3	T58 G62	T58-D60 PolarHBondContact O-N 3.14Å; T58-D60 VanDerWaalsContact O-N 3.14Å; D60-G62 VanDerWaalsContact C-N 3.28Å
61	A	54.3	Low	63.9	Low	47 Å²	47	65.7 Å²	65.7	39%	0.388	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-85.6	5	175	0	0	0	0	0	113.4	T55 T58 A59 I63	T55-A61 HydrophobicContact CG2-CB 4.09Å; T58-A61 WeakPolarHBondContact O-CB 3.32Å; T58-A61 PolarHBondContact O-N 3.34Å; A59-A61 PolarHBondContact O-N 3.38Å; A61-I63 HydrophobicContact CB-CD1 4.07Å; A61-I63 HydrophobicContact CB-CG1 4.26Å
62	G	55.3	Low	64.1	Low	54 Å²	54	67.8 Å²	67.8	56%	0.557	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	21.6	-174.3	0	0	0	0	0	113.5	A59 D60	A59-G62 PolarHBondContact O-N 3.03Å; D60-G62 VanDerWaalsContact C-N 3.28Å
63	I	59.8	Low	64.1	Low	6 Å²	6	69.1 Å²	69.1	3%	0.031	38%	0.384	C	S	.	.			trans	-99.1	91.7	-179.9	-60.8	172.2	0	0	0	107.6	V2 L46 L57 A61 A67	V2-I63 HydrophobicContact CG2-CG2 3.98Å; L46-I63 HydrophobicContact CD2-CG1 3.82Å; L57-I63 HydrophobicContact CD2-CD1 3.65Å; A61-I63 HydrophobicContact CB-CD1 4.07Å; A61-I63 HydrophobicContact CB-CG1 4.26Å; I63-A67 HydrophobicContact CB-CB 4.39Å; I63-A67 HydrophobicContact CG2-CB 3.59Å
64	D	61.5	Low	63.9	Low	117 Å²	117	71.7 Å²	71.7	63%	0.626	39%	0.39	S	S	*	.			trans	-67.3	163.8	175.7	-70.1	-39.7	0	0	0	111.9	K66 A67	D64-K66 PolarHBondContact O-N 3.27Å; D64-A67 VanDerWaalsContact O-CB 3.29Å; D64-A67 WeakPolarHBondContact O-CB 3.44Å; D64-A67 PolarHBondContact O-N 3.06Å
65	D	60.6	Low	63.3	Low	126 Å²	126	73.3 Å²	73.3	67%	0.674	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	6.6	179.1	-149.8	45.5	0	0	0	114.3	M1	M1-D65 CarbonylContact C-O 3.54Å; M1-D65 VanDerWaalsContact C-O 3.26Å; M1-D65 WeakPolarHBondContact CA-O 3.41Å; M1-D65 PolarHBondContact N-O 3.26Å; M1-D65 PolarHBondContact N-OD1 3.43Å; M1-D65 PolarHBondContact N-OD2 3.45Å; M1-D65 CarbonylContact O-C 3.53Å
66	K	66.3	Low	62	Low	184 Å²	184	74.6 Å²	74.6	80%	0.8	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.7	13.5	173.5	-65.3	-178.6	-178.8	174.8	0	113.3	D64	D64-K66 PolarHBondContact O-N 3.27Å
67	A	68	Low	61.1	Low	14 Å²	14	73.9 Å²	73.9	12%	0.116	41%	0.406	C	S	.	.			trans	-61.7	140.3	-178.7	0	0	0	0	0	111.4	R3 L46 I63 D64	R3-A67 PolarHBondContact N-O 3.25Å; L46-A67 HydrophobicContact CD1-CB 4.12Å; I63-A67 HydrophobicContact CB-CB 4.39Å; I63-A67 HydrophobicContact CG2-CB 3.59Å; D64-A67 VanDerWaalsContact O-CB 3.29Å; D64-A67 WeakPolarHBondContact O-CB 3.44Å; D64-A67 PolarHBondContact O-N 3.06Å
68	I	70.7	Confident	60.1	Low	76 Å²	76	76.7 Å²	76.7	39%	0.39	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.7	175.7	-60.7	173.5	0	0	0	108.8	R3 W5	R3-I68 VanDerWaalsContact O-CA 3.28Å; R3-I68 WeakPolarHBondContact O-CA 3.44Å; W5-I68 HydrophobicContact CB-CG2 4.04Å; W5-I68 HydrophobicContact CD2-CG2 4.22Å; W5-I68 HydrophobicContact CG-CG2 3.58Å
69	I	73.3	Confident	59.2	Low	0 Å²	0	83.1 Å²	83.1	0%	0	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.1	173.9	-57.1	173.6	0	0	0	108.2	V2 R3 A4 W5 L27 A44 L51 L57	V2-I69 HydrophobicContact CG1-CD1 3.6Å; V2-I69 HydrophobicContact CG1-CG1 4.05Å; R3-I69 PolarHBondContact O-N 3.5Å; A4-I69 CarbonylContact C-O 3.56Å; A4-I69 WeakPolarHBondContact CA-O 3.31Å; W5-I69 PolarHBondContact N-O 2.95Å; L27-I69 HydrophobicContact CD2-CB 4.17Å; L27-I69 HydrophobicContact CD2-CD1 3.89Å; L27-I69 HydrophobicContact CD2-CG2 3.71Å; A44-I69 HydrophobicContact CB-CG2 3.99Å; L51-I69 HydrophobicContact CD1-CG2 4.34Å; L57-I69 HydrophobicContact CD1-CD1 4.18Å; L57-I69 HydrophobicContact CD2-CD1 3.48Å; L57-I69 VanDerWaalsContact CD2-CD1 3.48Å; L57-I69 HydrophobicContact CG-CD1 4.47Å
70	T	75.7	Confident	58.7	Low	31 Å²	31	83.3 Å²	83.3	19%	0.19	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.1	175.2	-56.4	0	0	0	0	109.2	W5 L7 A44 L45 L72	W5-T70 WeakPolarHBondContact O-CA 3.48Å; L7-T70 HydrophobicContact CD1-CG2 3.35Å; L7-T70 HydrophobicContact CG-CG2 3.96Å; A44-T70 CarbonylContact C-O 3.41Å; L45-T70 PolarHBondContact N-O 3.31Å; L45-T70 PolarHBondContact O-N 2.91Å; T70-L72 HydrophobicContact CG2-CG 4.35Å
71	L	72.7	Confident	58.1	Low	0 Å²	0	80.5 Å²	80.5	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.8	172.1	-68	170	0	0	0	109	W5 L6 L7 L27 K28 F31 F35 E43 A44	W5-L71 PolarHBondContact O-N 3.38Å; L6-L71 HydrophobicContact CD2-CB 4.16Å; L6-L71 HydrophobicContact CD2-CD1 3.72Å; L7-L71 PolarHBondContact N-O 3.01Å; L27-L71 HydrophobicContact CD2-CD1 4.32Å; L27-L71 HydrophobicContact CD2-CD2 4.15Å; L27-L71 HydrophobicContact CD2-CG 4.43Å; L27-L71 HydrophobicContact CG-CD1 4.28Å; K28-L71 HydrophobicContact CG-CD2 4.5Å; F31-L71 HydrophobicContact CB-CD1 3.62Å; F31-L71 HydrophobicContact CD2-CD1 3.48Å; F31-L71 VanDerWaalsContact CD2-CD1 3.48Å; F31-L71 HydrophobicContact CE2-CD1 4.36Å; F31-L71 HydrophobicContact CG-CD1 3.71Å; F35-L71 HydrophobicContact CE2-CB 3.8Å; F35-L71 HydrophobicContact CE2-CD1 4.43Å; F35-L71 HydrophobicContact CZ-CB 3.84Å; F35-L71 WeakPolarHBondContact CZ-O 3.44Å; E43-L71 WeakPolarHBondContact O-CA 3.33Å; A44-L71 HydrophobicContact CB-CD2 3.76Å
72	L	71.8	Confident	57.4	Low	58 Å²	58	84.5 Å²	84.5	30%	0.304	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.6	174.1	-69.6	173.5	0	0	0	109.5	L7 L42 E43 L45 T70 R74	L7-L72 HydrophobicContact CB-CD2 3.75Å; L7-L72 HydrophobicContact CD1-CD2 3.83Å; L7-L72 HydrophobicContact CG-CD2 4.43Å; L42-L72 WeakPolarHBondContact CA-O 3.4Å; E43-L72 PolarHBondContact N-O 3.19Å; E43-L72 PolarHBondContact O-N 3.43Å; L45-L72 HydrophobicContact CD1-CD1 3.3Å; L45-L72 HydrophobicContact CD1-CG 4.11Å; T70-L72 HydrophobicContact CG2-CG 4.35Å; L72-R74 PolarHBondContact O-N 3.13Å
73	R	69	Low	56.9	Low	108 Å²	108	84.6 Å²	84.6	41%	0.408	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	114.7	159	-174.9	-178.5	-178.1	163.8	13.6	107.5	T9 F35 C37 Q41 K75	T9-R73 HydrophobicContact CG2-CB 4.5Å; F35-R73 HydrophobicContact CD1-CB 4.17Å; C37-R73 WeakPolarHBondContact SG-CD 3.44Å; C37-R73 PolarHBondContact SG-NE 3.37Å; C37-R73 PolarHBondContact SG-NH2 3.05Å; C37-R73 VanDerWaalsContact SG-NH2 3.41Å; Q41-R73 CarbonylContact O-C 3.24Å; R73-K75 PolarHBondContact O-N 2.82Å
74	R	61	Low	56.3	Low	95 Å²	95	92.6 Å²	92.6	36%	0.358	49%	0.494	S	S	.	.			trans	-54.8	112.2	156.1	-59.7	-178.7	93.8	-172.6	-2.3	105.1	Q41 E43 L72 C76	Q41-R74 WeakPolarHBondContact O-CA 3.47Å; Q41-R74 VanDerWaalsContact O-CB 3.23Å; Q41-R74 WeakPolarHBondContact O-CB 3.42Å; Q41-R74 WeakPolarHBondContact O-CG 3.38Å; Q41-R74 PolarHBondContact O-N 2.96Å; E43-R74 HydrophobicContact CB-CG 4.06Å; E43-R74 HydrophobicContact CG-CG 3.5Å; E43-R74 VanDerWaalsContact CG-CG 3.5Å; E43-R74 WeakPolarHBondContact OE1-CD 3.45Å; E43-R74 IonicContact OE1-CZ 2.88Å; E43-R74 IonicContact OE1-NE 3.95Å; E43-R74 PolarHBondContact OE1-NE 2.88Å; E43-R74 IonicContact OE1-NH2 2.78Å; L72-R74 PolarHBondContact O-N 3.13Å; R74-C76 PolarHBondContact O-N 3.15Å
75	K	50.4	Low	55.9	Low	167 Å²	167	91.7 Å²	91.7	73%	0.726	49%	0.494	S	S	*	.			trans	-65.1	79.9	146.6	-168.9	174.2	-176.2	179.3	0	103.6	R73 P77	R73-K75 PolarHBondContact O-N 2.82Å; K75-P77 WeakPolarHBondContact O-CD 3.25Å
76	C	39.5	Very low	55.7	Low	52 Å²	52	86.9 Å²	86.9	35%	0.351	47%	0.469	S	S	.	.			trans	-47.6	117.4	165.1	-75.4	0	0	0	0	102.9	R74 A78	R74-C76 PolarHBondContact O-N 3.15Å; C76-A78 PolarHBondContact O-N 3.33Å
77	P	43.9	Very low	55.7	Low	97 Å²	97	80.5 Å²	80.5	63%	0.63	45%	0.448	S	S	*	.			trans	-55.6	105.5	159.7	24.6	-28.6	0	0	0	101.6	K75 K79	K75-P77 WeakPolarHBondContact O-CD 3.25Å; P77-K79 VanDerWaalsContact C-N 3.26Å; P77-K79 PolarHBondContact O-N 3Å
78	A	40.2	Very low	55.7	Low	79 Å²	79	86.8 Å²	86.8	65%	0.653	47%	0.473	S	S	*	.			trans	-47.4	111.2	166.2	0	0	0	0	0	101.9	C76 V80	C76-A78 PolarHBondContact O-N 3.33Å; A78-V80 VanDerWaalsContact C-N 3.27Å; A78-V80 WeakPolarHBondContact O-CA 3.21Å; A78-V80 WeakPolarHBondContact O-CG2 3.45Å; A78-V80 PolarHBondContact O-N 3.39Å
79	K	39.1	Very low	55.8	Low	201 Å²	201	91.1 Å²	91.1	87%	0.874	49%	0.491	S	S	*	.			trans	-43.3	104.5	-178	-71.6	173.8	177.6	178.6	0	103.9	P77 S81	P77-K79 VanDerWaalsContact C-N 3.26Å; P77-K79 PolarHBondContact O-N 3Å; K79-S81 PolarHBondContact O-N 3.47Å
80	V	45.4	Very low	55.8	Low	79 Å²	79	95.8 Å²	95.8	48%	0.479	51%	0.513	S	S	.	.			trans	-67.5	105.8	-167.1	179.4	0	0	0	0	103	A78 C82	A78-V80 VanDerWaalsContact C-N 3.27Å; A78-V80 WeakPolarHBondContact O-CA 3.21Å; A78-V80 WeakPolarHBondContact O-CG2 3.45Å; A78-V80 PolarHBondContact O-N 3.39Å; V80-C82 PolarHBondContact O-N 3.01Å
81	S	41.7	Very low	55.8	Low	99 Å²	99	94.6 Å²	94.6	69%	0.692	51%	0.506	S	S	*	.			trans	-48.7	122.6	-179.9	42.2	0	0	0	0	107.9	K79 S83	K79-S81 PolarHBondContact O-N 3.47Å; S81-S83 PolarHBondContact O-N 3.44Å
82	C	39.9	Very low	56	Low	132 Å²	132	97.7 Å²	97.7	89%	0.892	52%	0.521	S	S	*	.			trans	14.5	96.2	157.3	-68.7	0	0	0	0	115.3	V80	V80-C82 PolarHBondContact O-N 3.01Å
83	S	44.2	Very low	56.5	Low	55 Å²	55	99.6 Å²	99.6	39%	0.385	53%	0.531	S	S	.	.			trans	-104.3	125.1	131.4	65.3	0	0	0	0	106.1	S81 P170	S81-S83 PolarHBondContact O-N 3.44Å; S83-P170 WeakPolarHBondContact OG-CG 3.42Å
84	E	47.8	Very low	57	Low	175 Å²	175	96 Å²	96	82%	0.818	52%	0.52	S	S	*	.			trans	-32.5	129.4	173.9	-164.7	167.4	-170.6	0	0	111.2	P86	E84-P86 VanDerWaalsContact O-N 3.12Å
85	P	52.9	Low	57.9	Low	98 Å²	98	92.2 Å²	92.2	64%	0.636	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-54.8	123.9	179.8	22.9	-32.2	0	0	0	107.6	S87	P85-S87 PolarHBondContact O-N 2.99Å
86	P	56.9	Low	59.3	Low	24 Å²	24	89.9 Å²	89.9	16%	0.156	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-55.4	142.7	177.9	21.2	-30.8	0	0	0	109	E84 K88 V91 P173	E84-P86 VanDerWaalsContact O-N 3.12Å; P86-K88 PolarHBondContact O-N 2.91Å; P86-V91 HydrophobicContact CB-CG2 3.85Å; P86-V91 HydrophobicContact CG-CG2 3.55Å; P86-P173 HydrophobicContact CG-CG 4.37Å
87	S	65.2	Low	61.2	Low	51 Å²	51	89 Å²	89	36%	0.357	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-53.6	138.4	177.8	66.7	0	0	0	0	108.8	P85 E89 E90 V91	P85-S87 PolarHBondContact O-N 2.99Å; S87-E89 PolarHBondContact O-N 3.35Å; S87-E90 WeakPolarHBondContact O-CB 3.22Å; S87-E90 PolarHBondContact O-N 3.18Å; S87-E90 WeakPolarHBondContact OG-CB 3.36Å; S87-E90 WeakPolarHBondContact OG-CG 3.44Å; S87-E90 PolarHBondContact OG-N 3.36Å; S87-E90 PolarHBondContact OG-OE1 2.83Å; S87-V91 PolarHBondContact O-N 2.85Å; S87-V91 VanDerWaalsContact O-N 3.15Å
88	K	69.2	Low	63	Low	146 Å²	146	84.4 Å²	84.4	64%	0.635	46%	0.461	S	S	*	.	H	α-helix	trans	-52.3	-28.6	-177.8	-173.9	180	176.8	-176.8	0	112.1	P86 E92 Y163	P86-K88 PolarHBondContact O-N 2.91Å; K88-E92 WeakPolarHBondContact O-CB 3.36Å; K88-E92 PolarHBondContact O-N 3.03Å; K88-E92 VanDerWaalsContact O-N 3.11Å; K88-Y163 HydrophobicContact CG-CE1 4.01Å
89	E	71.5	Confident	64.8	Low	166 Å²	166	84.8 Å²	84.8	78%	0.776	45%	0.445	S	S	*	.	H	α-helix	trans	-71.3	-43	176.5	-59.8	-176.5	179.6	0	0	113	S87 E92 N93	S87-E89 PolarHBondContact O-N 3.35Å; E89-E92 PolarHBondContact O-N 3.05Å; E89-N93 WeakPolarHBondContact O-CB 3.11Å; E89-N93 PolarHBondContact O-N 3.46Å
90	E	74.3	Confident	66.6	Low	99 Å²	99	81.8 Å²	81.8	46%	0.463	43%	0.434	S	S	.	.	H	α-helix	trans	-61.6	-46.2	173.8	-78.6	161.7	-133	0	0	111.2	S87 E92 N93 D94	S87-E90 WeakPolarHBondContact O-CB 3.22Å; S87-E90 PolarHBondContact O-N 3.18Å; S87-E90 WeakPolarHBondContact OG-CB 3.36Å; S87-E90 WeakPolarHBondContact OG-CG 3.44Å; S87-E90 PolarHBondContact OG-N 3.36Å; S87-E90 PolarHBondContact OG-OE1 2.83Å; E90-E92 VanDerWaalsContact C-N 3.3Å; E90-E92 PolarHBondContact O-N 3.35Å; E90-N93 PolarHBondContact O-N 3.09Å; E90-D94 WeakPolarHBondContact O-CB 3.38Å; E90-D94 PolarHBondContact O-N 3.43Å
91	V	74.5	Confident	68.1	Low	6 Å²	6	79 Å²	79	4%	0.036	42%	0.418	C	S	.	.	H	α-helix	trans	-59.1	-44.9	177.4	-178.9	0	0	0	0	110.6	P86 S87 V95 V162 A166 P173	P86-V91 HydrophobicContact CB-CG2 3.85Å; P86-V91 HydrophobicContact CG-CG2 3.55Å; S87-V91 PolarHBondContact O-N 2.85Å; S87-V91 VanDerWaalsContact O-N 3.15Å; V91-V95 HydrophobicContact CG1-CG2 4.26Å; V91-V95 VanDerWaalsContact O-CB 3.26Å; V91-V95 WeakPolarHBondContact O-CB 3.14Å; V91-V95 WeakPolarHBondContact O-CG2 3.47Å; V91-V95 PolarHBondContact O-N 2.81Å; V91-V162 HydrophobicContact CG1-CG1 3.89Å; V91-A166 HydrophobicContact CG1-CB 3.91Å; V91-A166 HydrophobicContact CG2-CB 4.24Å; V91-P173 HydrophobicContact CB-CG 4.43Å; V91-P173 HydrophobicContact CG1-CB 4.5Å; V91-P173 HydrophobicContact CG1-CG 4.06Å; V91-P173 HydrophobicContact CG2-CB 4.44Å; V91-P173 HydrophobicContact CG2-CG 3.97Å
92	E	78.9	Confident	69.9	Low	65 Å²	65	74.3 Å²	74.3	30%	0.304	39%	0.385	S	S	.	.	H	α-helix	trans	-66.9	-39.1	178.9	-171.1	173	167	0	0	112	K88 E89 E90 R96	K88-E92 WeakPolarHBondContact O-CB 3.36Å; K88-E92 PolarHBondContact O-N 3.03Å; K88-E92 VanDerWaalsContact O-N 3.11Å; E89-E92 PolarHBondContact O-N 3.05Å; E90-E92 VanDerWaalsContact C-N 3.3Å; E90-E92 PolarHBondContact O-N 3.35Å; E92-R96 WeakPolarHBondContact O-CB 3.34Å; E92-R96 PolarHBondContact O-N 2.9Å; E92-R96 IonicContact OE1-NH2 2.65Å; E92-R96 PolarHBondContact OE1-NH2 3.04Å
93	N	81.9	Confident	71.6	Confident	97 Å²	97	69.3 Å²	69.3	52%	0.519	35%	0.348	S	S	.	.	H	α-helix	trans	-66.8	-44.1	178.5	-168.4	42.7	0	0	0	112.1	E89 E90 R96 A97	E89-N93 WeakPolarHBondContact O-CB 3.11Å; E89-N93 PolarHBondContact O-N 3.46Å; E90-N93 PolarHBondContact O-N 3.09Å; N93-R96 PolarHBondContact O-N 3.3Å; N93-A97 WeakPolarHBondContact O-CB 3.5Å; N93-A97 PolarHBondContact O-N 3.47Å
94	D	78.8	Confident	72.8	Confident	34 Å²	34	71.1 Å²	71.1	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-67.3	-41.6	179.1	-72.2	-15.6	0	0	0	111.7	E90 A97 F98 P173 A177	E90-D94 WeakPolarHBondContact O-CB 3.38Å; E90-D94 PolarHBondContact O-N 3.43Å; D94-A97 PolarHBondContact O-N 2.9Å; D94-F98 PolarHBondContact O-N 3.12Å; D94-F98 VanDerWaalsContact O-N 3.08Å; D94-P173 HydrophobicContact CB-CB 4.2Å; D94-A177 HydrophobicContact CB-CB 4.08Å
95	V	79.9	Confident	73.6	Confident	14 Å²	14	67.3 Å²	67.3	9%	0.085	34%	0.341	C	S	.	.	H	α-helix	trans	-68.5	-38.2	175.6	173.2	0	0	0	0	110.7	V91 F98 R99 V162 L176	V91-V95 HydrophobicContact CG1-CG2 4.26Å; V91-V95 VanDerWaalsContact O-CB 3.26Å; V91-V95 WeakPolarHBondContact O-CB 3.14Å; V91-V95 WeakPolarHBondContact O-CG2 3.47Å; V91-V95 PolarHBondContact O-N 2.81Å; V95-F98 PolarHBondContact O-N 3.49Å; V95-R99 WeakPolarHBondContact O-CB 3.3Å; V95-R99 PolarHBondContact O-N 2.97Å; V95-V162 HydrophobicContact CG1-CG1 4.4Å; V95-V162 HydrophobicContact CG1-CG2 4.13Å; V95-V162 HydrophobicContact CG2-CG1 3.64Å; V95-L176 HydrophobicContact CG2-CD1 3.78Å
96	R	80.8	Confident	74.1	Confident	118 Å²	118	69.3 Å²	69.3	45%	0.445	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-45.2	174.2	-174.8	-176.4	-58.6	159.4	1.4	111	E92 N93 F98 R99 E100	E92-R96 WeakPolarHBondContact O-CB 3.34Å; E92-R96 PolarHBondContact O-N 2.9Å; E92-R96 IonicContact OE1-NH2 2.65Å; E92-R96 PolarHBondContact OE1-NH2 3.04Å; N93-R96 PolarHBondContact O-N 3.3Å; R96-F98 VanDerWaalsContact C-N 3.31Å; R96-F98 PolarHBondContact O-N 3.41Å; R96-R99 PolarHBondContact O-N 3.37Å; R96-R99 VanDerWaalsContact O-N 3.14Å; R96-E100 HydrophobicContact CG-CG 4.42Å; R96-E100 WeakPolarHBondContact O-CG 3.34Å; R96-E100 PolarHBondContact O-N 3.39Å
97	A	78.6	Confident	74.5	Confident	35 Å²	35	76.6 Å²	76.6	29%	0.289	37%	0.374	S	S	.	.	H	α-helix	trans	-59.8	-41	176.9	0	0	0	0	0	112	N93 D94 V101 A180	N93-A97 WeakPolarHBondContact O-CB 3.5Å; N93-A97 PolarHBondContact O-N 3.47Å; D94-A97 PolarHBondContact O-N 2.9Å; A97-V101 WeakPolarHBondContact O-CG2 3.44Å; A97-V101 PolarHBondContact O-N 3.18Å; A97-A180 HydrophobicContact CB-CB 4.39Å
98	F	80.7	Confident	74.9	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-67.9	-42.4	173.6	-176.6	-95.7	0	0	0	112.3	D94 V95 R96 V101 V102 L117 L153 L154 T157 L176 L179 A180	D94-F98 PolarHBondContact O-N 3.12Å; D94-F98 VanDerWaalsContact O-N 3.08Å; V95-F98 PolarHBondContact O-N 3.49Å; R96-F98 VanDerWaalsContact C-N 3.31Å; R96-F98 PolarHBondContact O-N 3.41Å; F98-V101 PolarHBondContact O-N 3.48Å; F98-V102 HydrophobicContact CD1-CG2 4.3Å; F98-V102 HydrophobicContact CD2-CG2 4.22Å; F98-V102 HydrophobicContact CE1-CB 4.26Å; F98-V102 HydrophobicContact CE1-CG2 3.91Å; F98-V102 HydrophobicContact CE2-CG2 3.82Å; F98-V102 HydrophobicContact CG-CG2 4.45Å; F98-V102 HydrophobicContact CZ-CB 4.45Å; F98-V102 HydrophobicContact CZ-CG2 3.67Å; F98-V102 WeakPolarHBondContact O-CG2 3.4Å; F98-V102 PolarHBondContact O-N 2.97Å; F98-L117 HydrophobicContact CE2-CD2 4.33Å; F98-L117 HydrophobicContact CZ-CD2 3.98Å; F98-L153 HydrophobicContact CE2-CD2 4.39Å; F98-L153 HydrophobicContact CZ-CD2 3.93Å; F98-L153 HydrophobicContact CZ-CG 4.17Å; F98-L154 HydrophobicContact CE1-CD2 4.39Å; F98-T157 HydrophobicContact CD1-CG2 3.52Å; F98-T157 HydrophobicContact CE1-CG2 3.63Å; F98-T157 HydrophobicContact CG-CG2 4.5Å; F98-L176 HydrophobicContact CB-CB 4.19Å; F98-L176 HydrophobicContact CD1-CD2 4.08Å; F98-L176 HydrophobicContact CD2-CD2 3.96Å; F98-L176 HydrophobicContact CE1-CD2 4.25Å; F98-L176 HydrophobicContact CE2-CD2 4.14Å; F98-L176 HydrophobicContact CG-CB 4.43Å; F98-L176 HydrophobicContact CG-CD2 3.92Å; F98-L176 HydrophobicContact CZ-CD2 4.27Å; F98-L179 HydrophobicContact CD2-CB 4.28Å; F98-L179 HydrophobicContact CE2-CB 4.17Å; F98-L179 HydrophobicContact CE2-CD1 4.46Å; F98-A180 HydrophobicContact CB-CB 4.32Å
99	R	79	Confident	75.4	Confident	87 Å²	87	73.7 Å²	73.7	33%	0.328	36%	0.363	S	S	.	.	H	α-helix	trans	-63.1	-45.2	-179.5	-167.3	-179.1	-174.6	-143.5	11.8	111.7	V95 R96 V101 V102 F103 E106	V95-R99 WeakPolarHBondContact O-CB 3.3Å; V95-R99 PolarHBondContact O-N 2.97Å; R96-R99 PolarHBondContact O-N 3.37Å; R96-R99 VanDerWaalsContact O-N 3.14Å; R99-V101 PolarHBondContact O-N 3.4Å; R99-V102 PolarHBondContact O-N 3.38Å; R99-F103 HydrophobicContact CB-CD2 4.22Å; R99-F103 HydrophobicContact CG-CB 4.12Å; R99-F103 HydrophobicContact CG-CD2 3.55Å; R99-F103 HydrophobicContact CG-CE2 4.11Å; R99-F103 HydrophobicContact CG-CG 3.93Å; R99-F103 VanDerWaalsContact O-CB 3.3Å; R99-F103 WeakPolarHBondContact O-CB 3.29Å; R99-F103 PolarHBondContact O-N 3.02Å; R99-E106 IonicContact CZ-OE1 2.67Å; R99-E106 VanDerWaalsContact CZ-OE1 3.3Å; R99-E106 IonicContact NH1-OE1 3.48Å; R99-E106 PolarHBondContact NH1-OE1 3.38Å; R99-E106 VanDerWaalsContact NH2-CB 3.34Å; R99-E106 VanDerWaalsContact NH2-CD 3.27Å; R99-E106 PolarHBondContact NH2-O 3.14Å; R99-E106 VanDerWaalsContact NH2-O 3.11Å; R99-E106 IonicContact NH2-OE1 2.68Å; R99-E106 PolarHBondContact NH2-OE1 3.16Å; R99-E106 IonicContact NH2-OE2 3.52Å
100	E	77.5	Confident	75.8	Confident	137 Å²	137	68.1 Å²	68.1	64%	0.64	34%	0.339	S	S	*	.	H	α-helix	trans	-59.9	-34.3	177.1	-76.1	-179.8	-177.9	0	0	113	R96	R96-E100 HydrophobicContact CG-CG 4.42Å; R96-E100 WeakPolarHBondContact O-CG 3.34Å; R96-E100 PolarHBondContact O-N 3.39Å
101	V	76.8	Confident	76.1	Confident	22 Å²	22	73.7 Å²	73.7	13%	0.133	36%	0.355	C	S	.	.	H	α-helix	trans	-74.8	-50.9	176.4	178.1	0	0	0	0	109.6	A97 F98 R99 K113 A180 L183	A97-V101 WeakPolarHBondContact O-CG2 3.44Å; A97-V101 PolarHBondContact O-N 3.18Å; F98-V101 PolarHBondContact O-N 3.48Å; R99-V101 PolarHBondContact O-N 3.4Å; V101-K113 HydrophobicContact CG1-CD 4.25Å; V101-K113 WeakPolarHBondContact O-CD 3.37Å; V101-K113 VanDerWaalsContact O-CE 3.29Å; V101-K113 WeakPolarHBondContact O-CE 2.79Å; V101-K113 PolarHBondContact O-NZ 2.91Å; V101-A180 HydrophobicContact CG2-CB 4.48Å; V101-L183 HydrophobicContact CG1-CB 3.73Å; V101-L183 HydrophobicContact CG1-CD1 3.95Å
102	V	78.4	Confident	76.3	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-85	-33.2	-165.4	176.3	0	0	0	0	113.5	F98 R99 V109 N110 L154 L183	F98-V102 HydrophobicContact CD1-CG2 4.3Å; F98-V102 HydrophobicContact CD2-CG2 4.22Å; F98-V102 HydrophobicContact CE1-CB 4.26Å; F98-V102 HydrophobicContact CE1-CG2 3.91Å; F98-V102 HydrophobicContact CE2-CG2 3.82Å; F98-V102 HydrophobicContact CG-CG2 4.45Å; F98-V102 HydrophobicContact CZ-CB 4.45Å; F98-V102 HydrophobicContact CZ-CG2 3.67Å; F98-V102 WeakPolarHBondContact O-CG2 3.4Å; F98-V102 PolarHBondContact O-N 2.97Å; R99-V102 PolarHBondContact O-N 3.38Å; V102-V109 HydrophobicContact CG1-CG1 3.5Å; V102-V109 WeakPolarHBondContact O-CG1 3.4Å; V102-N110 PolarHBondContact O-N 3.09Å; V102-L154 HydrophobicContact CG1-CD2 3.72Å; V102-L183 HydrophobicContact CG2-CD1 3.91Å
103	F	77	Confident	76.3	Confident	26 Å²	26	78.5 Å²	78.5	11%	0.114	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-96.7	140.9	-176.6	-66.9	-101.7	0	0	0	111.4	R99 N105 V109 L154	R99-F103 HydrophobicContact CB-CD2 4.22Å; R99-F103 HydrophobicContact CG-CB 4.12Å; R99-F103 HydrophobicContact CG-CD2 3.55Å; R99-F103 HydrophobicContact CG-CE2 4.11Å; R99-F103 HydrophobicContact CG-CG 3.93Å; R99-F103 VanDerWaalsContact O-CB 3.3Å; R99-F103 WeakPolarHBondContact O-CB 3.29Å; R99-F103 PolarHBondContact O-N 3.02Å; F103-N105 WeakPolarHBondContact CB-O 3.09Å; F103-V109 HydrophobicContact CD1-CG2 4.02Å; F103-V109 HydrophobicContact CE1-CG2 3.82Å; F103-V109 HydrophobicContact CZ-CG2 4.48Å; F103-L154 HydrophobicContact CE2-CD2 3.9Å; F103-L154 HydrophobicContact CZ-CD2 3.85Å
104	V	68.6	Low	76.4	Confident	94 Å²	94	75 Å²	75	57%	0.57	36%	0.357	S	S	*	.	S	Bend	trans	-90.7	-43.2	172.2	-176.2	0	0	0	0	109.8	D108 N110	V104-D108 PolarHBondContact N-O 3.22Å; V104-N110 HydrophobicContact CG2-CB 3.65Å
105	N	64.5	Low	76.6	Confident	94 Å²	94	80.1 Å²	80.1	50%	0.503	38%	0.375	S	S	.	.	S	Bend	trans	-125.8	-178.5	174.8	-63.6	-39.3	0	0	0	109.6	F103 E107 D108	F103-N105 WeakPolarHBondContact CB-O 3.09Å; N105-E107 PolarHBondContact O-N 3.26Å; N105-E107 VanDerWaalsContact O-N 3.11Å; N105-D108 HydrophobicContact CB-CB 4.06Å; N105-D108 PolarHBondContact N-O 3.47Å; N105-D108 PolarHBondContact ND2-OD2 3.14Å
106	E	63.1	Low	76.6	Confident	141 Å²	141	82 Å²	82	66%	0.659	38%	0.383	S	S	*	.	S	Bend	trans	-56.5	-30.4	178.7	-70.3	-122.3	111.5	0	0	113.8	R99	R99-E106 IonicContact CZ-OE1 2.67Å; R99-E106 VanDerWaalsContact CZ-OE1 3.3Å; R99-E106 IonicContact NH1-OE1 3.48Å; R99-E106 PolarHBondContact NH1-OE1 3.38Å; R99-E106 VanDerWaalsContact NH2-CB 3.34Å; R99-E106 VanDerWaalsContact NH2-CD 3.27Å; R99-E106 PolarHBondContact NH2-O 3.14Å; R99-E106 VanDerWaalsContact NH2-O 3.11Å; R99-E106 IonicContact NH2-OE1 2.68Å; R99-E106 PolarHBondContact NH2-OE1 3.16Å; R99-E106 IonicContact NH2-OE2 3.52Å
107	E	65.4	Low	76.7	Confident	177 Å²	177	76.5 Å²	76.5	83%	0.827	36%	0.362	S	S	*	.	S	Bend	trans	-118.5	-26.5	-176.1	-57.9	-171.5	159.2	0	0	113.7	N105	N105-E107 PolarHBondContact O-N 3.26Å; N105-E107 VanDerWaalsContact O-N 3.11Å
108	D	74.4	Confident	76.9	Confident	96 Å²	96	82.1 Å²	82.1	51%	0.513	38%	0.376	S	S	.	.			trans	-85.2	125.7	-176.7	-69.1	-50.2	0	0	0	112.3	V104 N105	V104-D108 PolarHBondContact N-O 3.22Å; N105-D108 HydrophobicContact CB-CB 4.06Å; N105-D108 PolarHBondContact N-O 3.47Å; N105-D108 PolarHBondContact ND2-OD2 3.14Å
109	V	78.7	Confident	77	Confident	39 Å²	39	87.2 Å²	87.2	24%	0.236	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-98.9	135.9	179	-159.1	0	0	0	0	110.7	V102 F103 R111 I114 L154	V102-V109 HydrophobicContact CG1-CG1 3.5Å; V102-V109 WeakPolarHBondContact O-CG1 3.4Å; F103-V109 HydrophobicContact CD1-CG2 4.02Å; F103-V109 HydrophobicContact CE1-CG2 3.82Å; F103-V109 HydrophobicContact CZ-CG2 4.48Å; V109-R111 PolarHBondContact O-N 3.49Å; V109-I114 HydrophobicContact CB-CD1 3.53Å; V109-I114 HydrophobicContact CB-CG1 4.3Å; V109-I114 HydrophobicContact CG1-CD1 3.18Å; V109-I114 HydrophobicContact CG1-CG1 3.4Å; V109-L154 HydrophobicContact CG1-CD1 4.32Å; V109-L154 HydrophobicContact CG1-CD2 4.42Å; V109-L154 HydrophobicContact CG2-CD1 4.19Å
110	N	80.6	Confident	77	Confident	49 Å²	49	83.1 Å²	83.1	26%	0.262	38%	0.383	S	S	.	.			trans	-70.4	106.2	176.2	-171.4	-40.4	0	0	0	110.2	V102 V104 Q112 K113 I114	V102-N110 PolarHBondContact O-N 3.09Å; V104-N110 HydrophobicContact CG2-CB 3.65Å; N110-Q112 PolarHBondContact O-N 2.78Å; N110-Q112 WeakPolarHBondContact OD1-CB 3.34Å; N110-Q112 PolarHBondContact OD1-N 2.73Å; N110-K113 HydrophobicContact CB-CB 4.05Å; N110-K113 HydrophobicContact CB-CD 4.03Å; N110-K113 HydrophobicContact CB-CG 4.02Å; N110-K113 PolarHBondContact O-N 3.49Å; N110-K113 PolarHBondContact OD1-N 3.44Å; N110-I114 WeakPolarHBondContact O-CG1 3.38Å; N110-I114 PolarHBondContact O-N 3.37Å
111	R	80.4	Confident	77.2	Confident	217 Å²	217	76.7 Å²	76.7	82%	0.819	35%	0.353	S	S	*	.	H	α-helix	trans	-53.3	-37.8	-179.7	-65.1	179.4	71.2	173.9	3.1	113	V109 I114 Y115	V109-R111 PolarHBondContact O-N 3.49Å; R111-I114 PolarHBondContact O-N 3.16Å; R111-Y115 PolarHBondContact O-N 2.9Å
112	Q	78.6	Confident	77.5	Confident	115 Å²	115	79.5 Å²	79.5	54%	0.537	37%	0.374	S	S	.	.	H	α-helix	trans	-67.1	-42.4	178.8	-173.4	63.3	14.2	0	0	111.3	N110 Y115 E116	N110-Q112 PolarHBondContact O-N 2.78Å; N110-Q112 WeakPolarHBondContact OD1-CB 3.34Å; N110-Q112 PolarHBondContact OD1-N 2.73Å; Q112-Y115 WeakPolarHBondContact O-CB 3.26Å; Q112-Y115 PolarHBondContact O-N 2.94Å; Q112-E116 PolarHBondContact O-N 3.36Å
113	K	79.8	Confident	77.6	Confident	57 Å²	57	82.4 Å²	82.4	25%	0.248	39%	0.389	C	S	.	.	H	α-helix	trans	-72.3	-31.5	178.9	-61.9	-176.6	-174.8	-179.5	0	112.4	V101 N110 Y115 E116 L117	V101-K113 HydrophobicContact CG1-CD 4.25Å; V101-K113 WeakPolarHBondContact O-CD 3.37Å; V101-K113 VanDerWaalsContact O-CE 3.29Å; V101-K113 WeakPolarHBondContact O-CE 2.79Å; V101-K113 PolarHBondContact O-NZ 2.91Å; N110-K113 HydrophobicContact CB-CB 4.05Å; N110-K113 HydrophobicContact CB-CD 4.03Å; N110-K113 HydrophobicContact CB-CG 4.02Å; N110-K113 PolarHBondContact O-N 3.49Å; N110-K113 PolarHBondContact OD1-N 3.44Å; K113-Y115 VanDerWaalsContact C-N 3.35Å; K113-E116 PolarHBondContact O-N 3.48Å; K113-L117 VanDerWaalsContact O-CB 3.26Å; K113-L117 WeakPolarHBondContact O-CB 3.44Å; K113-L117 PolarHBondContact O-N 3.35Å
114	I	82.5	Confident	77.8	Confident	22 Å²	22	85.6 Å²	85.6	11%	0.113	41%	0.411	C	S	.	.	H	α-helix	trans	-63.3	-43.3	169.3	-63.8	163.5	0	0	0	110.5	V109 N110 R111 E116 L117 R118 W150	V109-I114 HydrophobicContact CB-CD1 3.53Å; V109-I114 HydrophobicContact CB-CG1 4.3Å; V109-I114 HydrophobicContact CG1-CD1 3.18Å; V109-I114 HydrophobicContact CG1-CG1 3.4Å; N110-I114 WeakPolarHBondContact O-CG1 3.38Å; N110-I114 PolarHBondContact O-N 3.37Å; R111-I114 PolarHBondContact O-N 3.16Å; I114-E116 VanDerWaalsContact C-N 3.35Å; I114-E116 PolarHBondContact O-N 3.36Å; I114-L117 PolarHBondContact O-N 3.37Å; I114-R118 WeakPolarHBondContact O-CB 3.05Å; I114-R118 PolarHBondContact O-N 3.49Å; I114-W150 HydrophobicContact CD1-CZ3 4.23Å; I114-W150 HydrophobicContact CG2-CD2 3.68Å; I114-W150 HydrophobicContact CG2-CE3 3.68Å; I114-W150 HydrophobicContact CG2-CG 4.12Å; I114-W150 HydrophobicContact CG2-CZ3 4.15Å
115	Y	82.8	Confident	78.4	Confident	143 Å²	143	88.2 Å²	88.2	56%	0.561	42%	0.417	S	S	*	.	H	α-helix	trans	-62.1	-43.9	178	-175.7	-97.1	0	0	0	111.5	R111 Q112 K113 R118 K119	R111-Y115 PolarHBondContact O-N 2.9Å; Q112-Y115 WeakPolarHBondContact O-CB 3.26Å; Q112-Y115 PolarHBondContact O-N 2.94Å; K113-Y115 VanDerWaalsContact C-N 3.35Å; Y115-R118 PolarHBondContact O-N 3.36Å; Y115-K119 WeakPolarHBondContact O-CB 3.2Å; Y115-K119 PolarHBondContact O-N 3.2Å
116	E	80.8	Confident	79.2	Confident	54 Å²	54	84.4 Å²	84.4	25%	0.252	40%	0.396	S	S	.	.	H	α-helix	trans	-64.9	-39.9	174.2	-71.1	-56.1	139.8	0	0	112.6	Q112 K113 I114 K119 L120 L183	Q112-E116 PolarHBondContact O-N 3.36Å; K113-E116 PolarHBondContact O-N 3.48Å; I114-E116 VanDerWaalsContact C-N 3.35Å; I114-E116 PolarHBondContact O-N 3.36Å; E116-K119 PolarHBondContact O-N 3.4Å; E116-L120 WeakPolarHBondContact O-CB 3.41Å; E116-L120 PolarHBondContact O-N 3.19Å; E116-L183 HydrophobicContact CB-CD2 4.32Å
117	L	82.1	Confident	80	Confident	1 Å²	1	77.7 Å²	77.7	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-60.6	-45.9	173.6	177.4	61.5	0	0	0	110.9	F98 K113 I114 K119 L120 T121 L153 L179 L183	F98-L117 HydrophobicContact CE2-CD2 4.33Å; F98-L117 HydrophobicContact CZ-CD2 3.98Å; K113-L117 VanDerWaalsContact O-CB 3.26Å; K113-L117 WeakPolarHBondContact O-CB 3.44Å; K113-L117 PolarHBondContact O-N 3.35Å; I114-L117 PolarHBondContact O-N 3.37Å; L117-K119 PolarHBondContact O-N 2.76Å; L117-L120 WeakPolarHBondContact O-CB 3.42Å; L117-L120 PolarHBondContact O-N 2.97Å; L117-T121 HydrophobicContact CD1-CG2 3.91Å; L117-T121 HydrophobicContact CG-CG2 4.47Å; L117-T121 WeakPolarHBondContact O-CG2 3.21Å; L117-T121 PolarHBondContact O-N 3.26Å; L117-T121 PolarHBondContact O-OG1 3.21Å; L117-T121 VanDerWaalsContact O-OG1 3.11Å; L117-L153 HydrophobicContact CD1-CD2 4.49Å; L117-L153 HydrophobicContact CD2-CD2 4.01Å; L117-L179 HydrophobicContact CD1-CD1 4.43Å; L117-L179 HydrophobicContact CD1-CD2 4.01Å; L117-L183 HydrophobicContact CB-CD1 4.4Å; L117-L183 HydrophobicContact CB-CD2 4.13Å; L117-L183 HydrophobicContact CD1-CD1 4.16Å
118	R	83.3	Confident	80.8	Confident	153 Å²	153	73 Å²	73	58%	0.577	35%	0.345	S	S	*	.	H	α-helix	trans	-62.2	-43.5	176.4	-176.1	179.7	-178	174.5	1.4	111.6	I114 Y115 L120 T121 S122	I114-R118 WeakPolarHBondContact O-CB 3.05Å; I114-R118 PolarHBondContact O-N 3.49Å; Y115-R118 PolarHBondContact O-N 3.36Å; R118-L120 VanDerWaalsContact C-N 3.29Å; R118-L120 PolarHBondContact O-N 3.43Å; R118-T121 PolarHBondContact O-N 3.03Å; R118-T121 PolarHBondContact O-OG1 3.13Å; R118-S122 WeakPolarHBondContact O-CB 3.45Å; R118-S122 PolarHBondContact O-N 3.35Å; R118-S122 PolarHBondContact O-OG 3.3Å
119	K	82.6	Confident	81.2	Confident	108 Å²	108	74 Å²	74	47%	0.47	35%	0.347	S	S	.	.	H	α-helix	trans	-62.6	-39.9	176.4	-172.4	178.5	179.2	-176	0	111.1	Y115 E116 L117 S122	Y115-K119 WeakPolarHBondContact O-CB 3.2Å; Y115-K119 PolarHBondContact O-N 3.2Å; E116-K119 PolarHBondContact O-N 3.4Å; L117-K119 PolarHBondContact O-N 2.76Å; K119-S122 PolarHBondContact O-OG 3.23Å
120	L	79.6	Confident	81.3	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-49.5	176.9	-178.3	69.2	0	0	0	111.9	E116 L117 R118 S122 N123 F126 L179 A182 L183	E116-L120 WeakPolarHBondContact O-CB 3.41Å; E116-L120 PolarHBondContact O-N 3.19Å; L117-L120 WeakPolarHBondContact O-CB 3.42Å; L117-L120 PolarHBondContact O-N 2.97Å; R118-L120 VanDerWaalsContact C-N 3.29Å; R118-L120 PolarHBondContact O-N 3.43Å; L120-S122 VanDerWaalsContact C-N 3.33Å; L120-S122 PolarHBondContact O-N 3.35Å; L120-N123 PolarHBondContact O-N 3.32Å; L120-F126 HydrophobicContact CD1-CB 4.28Å; L120-F126 HydrophobicContact CD1-CD1 3.63Å; L120-F126 HydrophobicContact CD1-CD2 3.5Å; L120-F126 HydrophobicContact CD1-CE1 3.74Å; L120-F126 HydrophobicContact CD1-CE2 3.6Å; L120-F126 HydrophobicContact CD1-CG 3.49Å; L120-F126 VanDerWaalsContact CD1-CG 3.49Å; L120-F126 HydrophobicContact CD1-CZ 3.71Å; L120-F126 HydrophobicContact CD2-CD1 4.32Å; L120-F126 HydrophobicContact CD2-CE1 3.67Å; L120-F126 HydrophobicContact CD2-CE2 4.27Å; L120-F126 HydrophobicContact CD2-CZ 3.62Å; L120-F126 HydrophobicContact CG-CD1 3.53Å; L120-F126 HydrophobicContact CG-CD2 4.27Å; L120-F126 HydrophobicContact CG-CE1 3.39Å; L120-F126 HydrophobicContact CG-CE2 4.15Å; L120-F126 HydrophobicContact CG-CG 3.96Å; L120-F126 HydrophobicContact CG-CZ 3.7Å; L120-F126 WeakPolarHBondContact O-CD1 3.45Å; L120-L179 HydrophobicContact CD2-CD2 4.06Å; L120-A182 HydrophobicContact CD2-CB 3.84Å; L120-L183 HydrophobicContact CD2-CD2 4.4Å; L120-L183 HydrophobicContact CD2-CG 4.47Å
121	T	81.6	Confident	81.4	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.018	33%	0.332	C	S	.	.	H	α-helix	trans	-77.4	-18.1	-177.4	61.7	0	0	0	0	113.5	L117 R118 N123 I147 H148 L179	L117-T121 HydrophobicContact CD1-CG2 3.91Å; L117-T121 HydrophobicContact CG-CG2 4.47Å; L117-T121 WeakPolarHBondContact O-CG2 3.21Å; L117-T121 PolarHBondContact O-N 3.26Å; L117-T121 PolarHBondContact O-OG1 3.21Å; L117-T121 VanDerWaalsContact O-OG1 3.11Å; R118-T121 PolarHBondContact O-N 3.03Å; R118-T121 PolarHBondContact O-OG1 3.13Å; T121-N123 VanDerWaalsContact C-N 3.3Å; T121-I147 WeakPolarHBondContact CB-O 3.44Å; T121-I147 HydrophobicContact CG2-CG2 3.57Å; T121-I147 VanDerWaalsContact CG2-O 3.23Å; T121-I147 WeakPolarHBondContact CG2-O 3.19Å; T121-I147 PolarHBondContact OG1-O 3.47Å; T121-H148 PolarHBondContact O-CE1 3Å; T121-H148 PolarHBondContact O-ND1 3.24Å; T121-L179 HydrophobicContact CG2-CD2 4.16Å
122	S	82.8	Confident	81.4	Confident	81 Å²	81	64.9 Å²	64.9	57%	0.566	33%	0.325	S	S	*	.	H	α-helix	trans	-74.2	-20.6	169.9	71.2	0	0	0	0	113.4	R118 K119 L120 V124	R118-S122 WeakPolarHBondContact O-CB 3.45Å; R118-S122 PolarHBondContact O-N 3.35Å; R118-S122 PolarHBondContact O-OG 3.3Å; K119-S122 PolarHBondContact O-OG 3.23Å; L120-S122 VanDerWaalsContact C-N 3.33Å; L120-S122 PolarHBondContact O-N 3.35Å; S122-V124 PolarHBondContact O-N 3.45Å
123	N	81.5	Confident	81.3	Confident	60 Å²	60	62.3 Å²	62.3	32%	0.321	32%	0.32	S	S	.	.			trans	-81.7	111.2	178.8	-171.1	-20.5	0	0	0	110.3	L120 T121 Q125 F126 V127	L120-N123 PolarHBondContact O-N 3.32Å; T121-N123 VanDerWaalsContact C-N 3.3Å; N123-Q125 PolarHBondContact O-N 3.44Å; N123-Q125 VanDerWaalsContact OD1-CB 3.29Å; N123-Q125 WeakPolarHBondContact OD1-CB 3.33Å; N123-Q125 PolarHBondContact OD1-N 2.96Å; N123-F126 HydrophobicContact CB-CB 4.24Å; N123-F126 PolarHBondContact O-N 3.1Å; N123-F126 VanDerWaalsContact O-N 3.13Å; N123-V127 PolarHBondContact O-N 3.41Å
124	V	80.2	Confident	81.3	Confident	94 Å²	94	60.4 Å²	60.4	57%	0.57	31%	0.312	S	S	*	.	H	α-helix	trans	-57	-37	177.8	-175.8	0	0	0	0	111.7	S122 F126 V127 D128	S122-V124 PolarHBondContact O-N 3.45Å; V124-F126 VanDerWaalsContact C-N 3.33Å; V124-F126 PolarHBondContact O-N 3.1Å; V124-V127 PolarHBondContact O-N 3.47Å; V124-D128 VanDerWaalsContact O-CG 3.27Å; V124-D128 PolarHBondContact O-N 2.81Å
125	Q	80.9	Confident	80.9	Confident	149 Å²	149	63.9 Å²	63.9	70%	0.696	34%	0.336	S	S	*	.	H	α-helix	trans	-64.2	-37.4	179.2	-60.3	179.3	-17.9	0	0	112.4	N123 D128 E129	N123-Q125 PolarHBondContact O-N 3.44Å; N123-Q125 VanDerWaalsContact OD1-CB 3.29Å; N123-Q125 WeakPolarHBondContact OD1-CB 3.33Å; N123-Q125 PolarHBondContact OD1-N 2.96Å; Q125-D128 PolarHBondContact O-N 3.49Å; Q125-E129 WeakPolarHBondContact O-CB 3.31Å; Q125-E129 PolarHBondContact O-N 2.97Å
126	F	81.1	Confident	80.5	Confident	13 Å²	13	59 Å²	59	6%	0.057	32%	0.323	C	S	.	.	H	α-helix	trans	-70.5	-38.7	177	174.5	-100.3	0	0	0	111.2	L120 N123 V124 D128 E129 M130 Y178 L179 A182	L120-F126 HydrophobicContact CD1-CB 4.28Å; L120-F126 HydrophobicContact CD1-CD1 3.63Å; L120-F126 HydrophobicContact CD1-CD2 3.5Å; L120-F126 HydrophobicContact CD1-CE1 3.74Å; L120-F126 HydrophobicContact CD1-CE2 3.6Å; L120-F126 HydrophobicContact CD1-CG 3.49Å; L120-F126 VanDerWaalsContact CD1-CG 3.49Å; L120-F126 HydrophobicContact CD1-CZ 3.71Å; L120-F126 HydrophobicContact CD2-CD1 4.32Å; L120-F126 HydrophobicContact CD2-CE1 3.67Å; L120-F126 HydrophobicContact CD2-CE2 4.27Å; L120-F126 HydrophobicContact CD2-CZ 3.62Å; L120-F126 HydrophobicContact CG-CD1 3.53Å; L120-F126 HydrophobicContact CG-CD2 4.27Å; L120-F126 HydrophobicContact CG-CE1 3.39Å; L120-F126 HydrophobicContact CG-CE2 4.15Å; L120-F126 HydrophobicContact CG-CG 3.96Å; L120-F126 HydrophobicContact CG-CZ 3.7Å; L120-F126 WeakPolarHBondContact O-CD1 3.45Å; N123-F126 HydrophobicContact CB-CB 4.24Å; N123-F126 PolarHBondContact O-N 3.1Å; N123-F126 VanDerWaalsContact O-N 3.13Å; V124-F126 VanDerWaalsContact C-N 3.33Å; V124-F126 PolarHBondContact O-N 3.1Å; F126-D128 VanDerWaalsContact C-N 3.31Å; F126-E129 PolarHBondContact O-N 2.92Å; F126-M130 HydrophobicContact CD1-CE 4.44Å; F126-M130 HydrophobicContact CE1-CE 3.52Å; F126-M130 HydrophobicContact CZ-CE 3.96Å; F126-M130 WeakPolarHBondContact O-CB 3.39Å; F126-M130 PolarHBondContact O-N 2.94Å; F126-Y178 HydrophobicContact CD2-CE1 4.45Å; F126-Y178 HydrophobicContact CE1-CE1 4.31Å; F126-Y178 HydrophobicContact CE2-CD1 4.35Å; F126-Y178 AromaticContact CE2-CE1 3.47Å; F126-Y178 HydrophobicContact CE2-CE1 3.47Å; F126-Y178 VanDerWaalsContact CE2-CE1 3.47Å; F126-Y178 AromaticContact CZ-CD1 3.86Å; F126-Y178 HydrophobicContact CZ-CD1 3.86Å; F126-Y178 AromaticContact CZ-CE1 3.39Å; F126-Y178 HydrophobicContact CZ-CE1 3.39Å; F126-L179 HydrophobicContact CE1-CD2 3.78Å; F126-L179 HydrophobicContact CZ-CD2 4.15Å; F126-A182 HydrophobicContact CE2-CB 3.72Å; F126-A182 HydrophobicContact CZ-CB 3.64Å
127	V	80.1	Confident	80.1	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-65.9	-37.6	174.6	177.9	0	0	0	0	110.6	N123 V124 M130 V131	N123-V127 PolarHBondContact O-N 3.41Å; V124-V127 PolarHBondContact O-N 3.47Å; V127-M130 WeakPolarHBondContact O-CB 3.46Å; V127-M130 PolarHBondContact O-N 3.2Å; V127-V131 HydrophobicContact CG1-CG2 4.47Å; V127-V131 VanDerWaalsContact O-CG2 3.25Å; V127-V131 WeakPolarHBondContact O-CG2 3.41Å; V127-V131 PolarHBondContact O-N 3.3Å
128	D	82.6	Confident	79.6	Confident	79 Å²	79	60.4 Å²	60.4	42%	0.422	34%	0.339	S	S	.	.	H	α-helix	trans	-68.4	-38.8	175.2	-68.6	-23.6	0	0	0	112.1	V124 Q125 F126 M130 V131 A132 R144	V124-D128 VanDerWaalsContact O-CG 3.27Å; V124-D128 PolarHBondContact O-N 2.81Å; Q125-D128 PolarHBondContact O-N 3.49Å; F126-D128 VanDerWaalsContact C-N 3.31Å; D128-M130 VanDerWaalsContact C-N 3.32Å; D128-M130 PolarHBondContact O-N 3.33Å; D128-V131 PolarHBondContact O-N 3.37Å; D128-A132 WeakPolarHBondContact O-CB 3.49Å; D128-A132 PolarHBondContact O-N 3.26Å; D128-R144 IonicContact OD1-NH2 3.26Å
129	E	83	Confident	79.1	Confident	117 Å²	117	55.7 Å²	55.7	55%	0.547	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-41.6	170.8	-170.6	-172.2	160	0	0	111.2	Q125 F126 A132 S133 Y178	Q125-E129 WeakPolarHBondContact O-CB 3.31Å; Q125-E129 PolarHBondContact O-N 2.97Å; F126-E129 PolarHBondContact O-N 2.92Å; E129-A132 WeakPolarHBondContact O-CB 3.49Å; E129-A132 PolarHBondContact O-N 2.84Å; E129-S133 WeakPolarHBondContact O-CB 3.27Å; E129-S133 PolarHBondContact O-N 2.85Å; E129-S133 PolarHBondContact O-OG 3.36Å; E129-Y178 PolarHBondContact OE1-OH 3.14Å
130	M	79.9	Confident	78.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-45.5	175.2	-173.8	-168.8	-71.8	0	0	111.3	F126 V127 D128 A132 S133 I134 L137 I147 V175 Y178 L179	F126-M130 HydrophobicContact CD1-CE 4.44Å; F126-M130 HydrophobicContact CE1-CE 3.52Å; F126-M130 HydrophobicContact CZ-CE 3.96Å; F126-M130 WeakPolarHBondContact O-CB 3.39Å; F126-M130 PolarHBondContact O-N 2.94Å; V127-M130 WeakPolarHBondContact O-CB 3.46Å; V127-M130 PolarHBondContact O-N 3.2Å; D128-M130 VanDerWaalsContact C-N 3.32Å; D128-M130 PolarHBondContact O-N 3.33Å; M130-A132 VanDerWaalsContact C-N 3.27Å; M130-A132 PolarHBondContact O-N 3.24Å; M130-S133 WeakPolarHBondContact CA-OG 3.35Å; M130-S133 PolarHBondContact O-N 3.31Å; M130-S133 VanDerWaalsContact O-N 3.12Å; M130-S133 PolarHBondContact O-OG 3.33Å; M130-I134 PolarHBondContact O-N 3.32Å; M130-L137 HydrophobicContact CG-CD2 4Å; M130-L137 HydrophobicContact SD-CD2 3.74Å; M130-I147 HydrophobicContact SD-CD1 3.62Å; M130-V175 HydrophobicContact CE-CG1 4.36Å; M130-V175 HydrophobicContact SD-CG1 3.85Å; M130-V175 HydrophobicContact SD-CG2 4.3Å; M130-Y178 HydrophobicContact CB-CD1 4.14Å; M130-Y178 HydrophobicContact CB-CE1 3.81Å; M130-Y178 HydrophobicContact CE-CD1 3.68Å; M130-Y178 HydrophobicContact CE-CE1 4.15Å; M130-Y178 HydrophobicContact CG-CD1 3.75Å; M130-Y178 HydrophobicContact CG-CE1 3.96Å; M130-Y178 HydrophobicContact CG-CG 4.43Å; M130-Y178 HydrophobicContact SD-CD1 4.47Å; M130-L179 HydrophobicContact CE-CD1 4.46Å; M130-L179 HydrophobicContact CE-CD2 3.49Å; M130-L179 VanDerWaalsContact CE-CD2 3.49Å; M130-L179 HydrophobicContact CE-CG 3.71Å
131	V	82.5	Confident	78.8	Confident	30 Å²	30	53.3 Å²	53.3	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-35.6	175.5	171.9	0	0	0	0	111.1	V127 D128 I134 P135 L137	V127-V131 HydrophobicContact CG1-CG2 4.47Å; V127-V131 VanDerWaalsContact O-CG2 3.25Å; V127-V131 WeakPolarHBondContact O-CG2 3.41Å; V127-V131 PolarHBondContact O-N 3.3Å; D128-V131 PolarHBondContact O-N 3.37Å; V131-I134 CarbonylContact O-C 3.58Å; V131-I134 VanDerWaalsContact O-C 3.24Å; V131-I134 VanDerWaalsContact O-O 3.14Å; V131-P135 WeakPolarHBondContact O-CA 3.23Å; V131-L137 HydrophobicContact CG2-CB 4.48Å; V131-L137 HydrophobicContact CG2-CD2 3.74Å; V131-L137 HydrophobicContact CG2-CG 4.14Å
132	A	81.5	Confident	78.7	Confident	83 Å²	83	56.9 Å²	56.9	69%	0.686	34%	0.343	S	S	*	.	H	α-helix	trans	-67.3	-37.9	173.3	0	0	0	0	0	112.2	D128 E129 M130	D128-A132 WeakPolarHBondContact O-CB 3.49Å; D128-A132 PolarHBondContact O-N 3.26Å; E129-A132 WeakPolarHBondContact O-CB 3.49Å; E129-A132 PolarHBondContact O-N 2.84Å; M130-A132 VanDerWaalsContact C-N 3.27Å; M130-A132 PolarHBondContact O-N 3.24Å
133	S	76	Confident	78.7	Confident	60 Å²	60	53 Å²	53	42%	0.42	32%	0.316	S	S	.	.	H	α-helix	trans	-75.4	-30.4	178	73.1	0	0	0	0	113.6	E129 M130	E129-S133 WeakPolarHBondContact O-CB 3.27Å; E129-S133 PolarHBondContact O-N 2.85Å; E129-S133 PolarHBondContact O-OG 3.36Å; M130-S133 WeakPolarHBondContact CA-OG 3.35Å; M130-S133 PolarHBondContact O-N 3.31Å; M130-S133 VanDerWaalsContact O-N 3.12Å; M130-S133 PolarHBondContact O-OG 3.33Å
134	I	79	Confident	78.6	Confident	18 Å²	18	54.9 Å²	54.9	9%	0.092	32%	0.318	C	S	.	.			trans	-127.9	84.4	-179.1	-55.5	172.6	0	0	0	107.5	M130 V131 S136 L137 K174 V175	M130-I134 PolarHBondContact O-N 3.32Å; V131-I134 CarbonylContact O-C 3.58Å; V131-I134 VanDerWaalsContact O-C 3.24Å; V131-I134 VanDerWaalsContact O-O 3.14Å; I134-S136 VanDerWaalsContact CG2-OG 3.25Å; I134-S136 WeakPolarHBondContact CG2-OG 3.22Å; I134-S136 PolarHBondContact O-N 3.43Å; I134-S136 VanDerWaalsContact O-N 3.13Å; I134-L137 HydrophobicContact CB-CB 4.44Å; I134-L137 HydrophobicContact CG2-CB 4.27Å; I134-L137 WeakPolarHBondContact O-CB 3.32Å; I134-L137 PolarHBondContact O-N 3.14Å; I134-K174 HydrophobicContact CD1-CB 4.08Å; I134-V175 HydrophobicContact CD1-CG2 3.99Å
135	P	75.1	Confident	78.7	Confident	94 Å²	94	55.4 Å²	55.4	61%	0.61	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-62	-25	-177.5	23.1	-33.4	0	0	0	112.7	V131 L137 S138	V131-P135 WeakPolarHBondContact O-CA 3.23Å; P135-L137 PolarHBondContact O-N 2.92Å; P135-S138 WeakPolarHBondContact O-CB 3.4Å; P135-S138 PolarHBondContact O-N 3.48Å; P135-S138 VanDerWaalsContact O-N 3.1Å; P135-S138 PolarHBondContact O-OG 3.48Å
136	S	74.5	Confident	78.9	Confident	40 Å²	40	48.5 Å²	48.5	28%	0.28	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-66.3	-15.4	174.8	55.8	0	0	0	0	113.8	I134 S138 S139 T171	I134-S136 VanDerWaalsContact CG2-OG 3.25Å; I134-S136 WeakPolarHBondContact CG2-OG 3.22Å; I134-S136 PolarHBondContact O-N 3.43Å; I134-S136 VanDerWaalsContact O-N 3.13Å; S136-S138 VanDerWaalsContact C-N 3.31Å; S136-S139 PolarHBondContact O-N 2.92Å; S136-S139 PolarHBondContact O-OG 3.5Å; S136-T171 VanDerWaalsContact CB-CG2 3.47Å; S136-T171 VanDerWaalsContact OG-CG2 3.3Å; S136-T171 WeakPolarHBondContact OG-CG2 3.38Å
137	L	71.8	Confident	79	Confident	1 Å²	1	48 Å²	48	1%	0.005	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-69.6	-29.7	171.7	-174.2	61.3	0	0	0	111.9	M130 V131 I134 P135 S139 D140 V143 R144 I147 V175	M130-L137 HydrophobicContact CG-CD2 4Å; M130-L137 HydrophobicContact SD-CD2 3.74Å; V131-L137 HydrophobicContact CG2-CB 4.48Å; V131-L137 HydrophobicContact CG2-CD2 3.74Å; V131-L137 HydrophobicContact CG2-CG 4.14Å; I134-L137 HydrophobicContact CB-CB 4.44Å; I134-L137 HydrophobicContact CG2-CB 4.27Å; I134-L137 WeakPolarHBondContact O-CB 3.32Å; I134-L137 PolarHBondContact O-N 3.14Å; P135-L137 PolarHBondContact O-N 2.92Å; L137-S139 VanDerWaalsContact C-N 3.25Å; L137-S139 PolarHBondContact O-N 3.04Å; L137-D140 CarbonylContact O-C 3.6Å; L137-D140 PolarHBondContact O-N 2.65Å; L137-D140 VanDerWaalsContact O-N 3.11Å; L137-V143 HydrophobicContact CD1-CB 3.92Å; L137-V143 HydrophobicContact CD1-CG1 3.58Å; L137-R144 HydrophobicContact CD1-CB 4.45Å; L137-I147 HydrophobicContact CD1-CD1 4.04Å; L137-I147 HydrophobicContact CD2-CD1 3.89Å; L137-V175 HydrophobicContact CD1-CG2 4.01Å; L137-V175 HydrophobicContact CD2-CG2 4.33Å
138	S	72	Confident	79.1	Confident	84 Å²	84	52.2 Å²	52.2	59%	0.587	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.7	178.3	70.3	0	0	0	0	112.7	P135 S136 D140	P135-S138 WeakPolarHBondContact O-CB 3.4Å; P135-S138 PolarHBondContact O-N 3.48Å; P135-S138 VanDerWaalsContact O-N 3.1Å; P135-S138 PolarHBondContact O-OG 3.48Å; S136-S138 VanDerWaalsContact C-N 3.31Å; S138-D140 VanDerWaalsContact C-N 3.33Å
139	S	73.8	Confident	79.2	Confident	55 Å²	55	51.9 Å²	51.9	39%	0.385	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.4	175.3	40.8	0	0	0	0	113.8	S136 L137 P141	S136-S139 PolarHBondContact O-N 2.92Å; S136-S139 PolarHBondContact O-OG 3.5Å; L137-S139 VanDerWaalsContact C-N 3.25Å; L137-S139 PolarHBondContact O-N 3.04Å; S139-P141 WeakPolarHBondContact O-CD 3.39Å
140	D	78.1	Confident	79.2	Confident	11 Å²	11	50.4 Å²	50.4	6%	0.059	29%	0.291	C	S	.	.			trans	-113.5	88.2	-175	-160.8	-29.6	0	0	0	112.1	L137 S138 I142 V143 R144 H169	L137-D140 CarbonylContact O-C 3.6Å; L137-D140 PolarHBondContact O-N 2.65Å; L137-D140 VanDerWaalsContact O-N 3.11Å; S138-D140 VanDerWaalsContact C-N 3.33Å; D140-I142 PolarHBondContact O-N 2.96Å; D140-I142 WeakPolarHBondContact OD1-CB 3.37Å; D140-I142 PolarHBondContact OD1-N 2.67Å; D140-V143 HydrophobicContact CB-CB 4.32Å; D140-V143 HydrophobicContact CB-CG2 4.35Å; D140-V143 PolarHBondContact OD1-N 2.91Å; D140-V143 VanDerWaalsContact OD1-N 3.12Å; D140-V143 WeakPolarHBondContact OD2-CG2 3.47Å; D140-R144 PolarHBondContact O-N 3Å; D140-H169 IonicContact OD1-CE1 3.77Å; D140-H169 IonicContact OD1-ND1 3.48Å; D140-H169 PolarHBondContact OD1-ND1 3.22Å; D140-H169 IonicContact OD2-CE1 3.85Å; D140-H169 IonicContact OD2-CG 3.48Å; D140-H169 IonicContact OD2-ND1 3.3Å; D140-H169 PolarHBondContact OD2-ND1 3.35Å
141	P	76.3	Confident	79.3	Confident	46 Å²	46	53.4 Å²	53.4	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-66.9	-21.8	178.7	28.9	-35.3	0	0	0	112.5	S139 N145	S139-P141 WeakPolarHBondContact O-CD 3.39Å; P141-N145 PolarHBondContact O-N 3.47Å; P141-N145 VanDerWaalsContact O-N 3.09Å; P141-N145 PolarHBondContact O-ND2 3.03Å
142	I	79.8	Confident	79.5	Confident	79 Å²	79	55 Å²	55	41%	0.405	32%	0.318	S	S	.	.	H	α-helix	trans	-72.3	-51.4	-177.6	-58.1	178.9	0	0	0	108.5	D140 R144 N145 V146 W156	D140-I142 PolarHBondContact O-N 2.96Å; D140-I142 WeakPolarHBondContact OD1-CB 3.37Å; D140-I142 PolarHBondContact OD1-N 2.67Å; I142-R144 VanDerWaalsContact C-N 3.28Å; I142-R144 PolarHBondContact O-N 3.17Å; I142-N145 PolarHBondContact O-N 3Å; I142-N145 VanDerWaalsContact O-N 3.14Å; I142-V146 HydrophobicContact CG2-CG2 4.45Å; I142-V146 WeakPolarHBondContact O-CG2 3.29Å; I142-V146 PolarHBondContact O-N 3.17Å; I142-W156 HydrophobicContact CG2-CH2 3.75Å; I142-W156 HydrophobicContact CG2-CZ2 4.42Å
143	V	82.2	Confident	79.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-40.2	176.5	178.2	0	0	0	0	110.9	L137 D140 N145 V146 I147 W156 H169 F172 V175	L137-V143 HydrophobicContact CD1-CB 3.92Å; L137-V143 HydrophobicContact CD1-CG1 3.58Å; D140-V143 HydrophobicContact CB-CB 4.32Å; D140-V143 HydrophobicContact CB-CG2 4.35Å; D140-V143 PolarHBondContact OD1-N 2.91Å; D140-V143 VanDerWaalsContact OD1-N 3.12Å; D140-V143 WeakPolarHBondContact OD2-CG2 3.47Å; V143-N145 VanDerWaalsContact C-N 3.34Å; V143-N145 PolarHBondContact O-N 2.95Å; V143-V146 PolarHBondContact O-N 3.29Å; V143-I147 HydrophobicContact CG1-CD1 4.44Å; V143-I147 VanDerWaalsContact O-CG1 3.3Å; V143-I147 WeakPolarHBondContact O-CG1 3.49Å; V143-I147 PolarHBondContact O-N 3Å; V143-I147 VanDerWaalsContact O-N 3.11Å; V143-W156 HydrophobicContact CG2-CZ3 4.45Å; V143-H169 HydrophobicContact CG2-CB 3.71Å; V143-F172 HydrophobicContact CG1-CD2 4.28Å; V143-F172 HydrophobicContact CG2-CB 4.28Å; V143-V175 HydrophobicContact CG1-CG2 4.11Å
144	R	80.7	Confident	79.9	Confident	98 Å²	98	49.2 Å²	49.2	37%	0.37	27%	0.27	S	S	.	.	H	α-helix	trans	-57.5	-44.5	175.4	-172	178.7	-178.6	174	5.8	112.7	D128 L137 D140 I142 I147 H148	D128-R144 IonicContact OD1-NH2 3.26Å; L137-R144 HydrophobicContact CD1-CB 4.45Å; D140-R144 PolarHBondContact O-N 3Å; I142-R144 VanDerWaalsContact C-N 3.28Å; I142-R144 PolarHBondContact O-N 3.17Å; R144-I147 PolarHBondContact O-N 3.26Å; R144-H148 PolarHBondContact O-CD2 3.05Å; R144-H148 VanDerWaalsContact O-CD2 3.25Å
145	N	81.3	Confident	80	Confident	106 Å²	106	55.9 Å²	55.9	57%	0.567	29%	0.294	S	S	*	.	H	α-helix	trans	-69.6	-37.1	179.4	-69.8	-21	0	0	0	112	P141 I142 V143 I147 H148 D149	P141-N145 PolarHBondContact O-N 3.47Å; P141-N145 VanDerWaalsContact O-N 3.09Å; P141-N145 PolarHBondContact O-ND2 3.03Å; I142-N145 PolarHBondContact O-N 3Å; I142-N145 VanDerWaalsContact O-N 3.14Å; V143-N145 VanDerWaalsContact C-N 3.34Å; V143-N145 PolarHBondContact O-N 2.95Å; N145-I147 VanDerWaalsContact C-N 3.28Å; N145-I147 PolarHBondContact O-N 3.01Å; N145-H148 PolarHBondContact O-N 2.84Å; N145-H148 VanDerWaalsContact O-N 3.16Å; N145-D149 PolarHBondContact O-N 3.48Å
146	V	85.4	Confident	80.4	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-32.7	178.4	176.3	0	0	0	0	111.8	I142 V143 H148 D149 L152 L153 W156	I142-V146 HydrophobicContact CG2-CG2 4.45Å; I142-V146 WeakPolarHBondContact O-CG2 3.29Å; I142-V146 PolarHBondContact O-N 3.17Å; V143-V146 PolarHBondContact O-N 3.29Å; V146-H148 PolarHBondContact O-N 2.89Å; V146-D149 CarbonylContact O-C 3.59Å; V146-D149 PolarHBondContact O-N 3.45Å; V146-L152 HydrophobicContact CB-CD2 4.3Å; V146-L152 HydrophobicContact CG1-CB 4.36Å; V146-L152 HydrophobicContact CG1-CD2 4.22Å; V146-L152 HydrophobicContact CG1-CG 4.06Å; V146-L152 HydrophobicContact CG2-CD2 3.56Å; V146-L152 HydrophobicContact CG2-CG 4.23Å; V146-L153 HydrophobicContact CG1-CB 4.26Å; V146-L153 HydrophobicContact CG1-CD1 4.28Å; V146-W156 HydrophobicContact CB-CE3 4.22Å; V146-W156 HydrophobicContact CB-CH2 4.34Å; V146-W156 HydrophobicContact CB-CZ3 4.02Å; V146-W156 HydrophobicContact CG1-CD2 3.95Å; V146-W156 HydrophobicContact CG1-CE3 3.7Å; V146-W156 HydrophobicContact CG1-CZ3 4.03Å; V146-W156 HydrophobicContact CG2-CD2 4.32Å; V146-W156 HydrophobicContact CG2-CE3 4Å; V146-W156 HydrophobicContact CG2-CH2 3.33Å; V146-W156 HydrophobicContact CG2-CZ2 3.63Å; V146-W156 HydrophobicContact CG2-CZ3 3.51Å
147	I	84	Confident	80.7	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-33.6	175.7	-66.2	160.3	0	0	0	111.6	T121 M130 L137 V143 R144 N145 V175	T121-I147 WeakPolarHBondContact CB-O 3.44Å; T121-I147 HydrophobicContact CG2-CG2 3.57Å; T121-I147 VanDerWaalsContact CG2-O 3.23Å; T121-I147 WeakPolarHBondContact CG2-O 3.19Å; T121-I147 PolarHBondContact OG1-O 3.47Å; M130-I147 HydrophobicContact SD-CD1 3.62Å; L137-I147 HydrophobicContact CD1-CD1 4.04Å; L137-I147 HydrophobicContact CD2-CD1 3.89Å; V143-I147 HydrophobicContact CG1-CD1 4.44Å; V143-I147 VanDerWaalsContact O-CG1 3.3Å; V143-I147 WeakPolarHBondContact O-CG1 3.49Å; V143-I147 PolarHBondContact O-N 3Å; V143-I147 VanDerWaalsContact O-N 3.11Å; R144-I147 PolarHBondContact O-N 3.26Å; N145-I147 VanDerWaalsContact C-N 3.28Å; N145-I147 PolarHBondContact O-N 3.01Å; I147-V175 HydrophobicContact CD1-CG1 3.6Å; I147-V175 HydrophobicContact CG1-CG1 3.7Å
148	H	81.7	Confident	81	Confident	91 Å²	91	53.9 Å²	53.9	42%	0.421	28%	0.276	S	S	.	.	H	α-helix	trans	-78.4	-22.2	177.6	-61.5	-65.6	0	0	0	113.2	T121 R144 N145 V146	T121-H148 PolarHBondContact O-CE1 3Å; T121-H148 PolarHBondContact O-ND1 3.24Å; R144-H148 PolarHBondContact O-CD2 3.05Å; R144-H148 VanDerWaalsContact O-CD2 3.25Å; N145-H148 PolarHBondContact O-N 2.84Å; N145-H148 VanDerWaalsContact O-N 3.16Å; V146-H148 PolarHBondContact O-N 2.89Å
149	D	84.9	Confident	81	Confident	72 Å²	72	56.9 Å²	56.9	39%	0.385	28%	0.278	S	S	.	.			trans	-99.9	88.6	-179.2	-169	-44.1	0	0	0	109.8	N145 V146 P151 L152 L153	N145-D149 PolarHBondContact O-N 3.48Å; V146-D149 CarbonylContact O-C 3.59Å; V146-D149 PolarHBondContact O-N 3.45Å; D149-P151 VanDerWaalsContact C-CD 3.49Å; D149-P151 WeakPolarHBondContact OD1-CD 3.07Å; D149-L152 HydrophobicContact CB-CB 3.94Å; D149-L152 PolarHBondContact O-N 3.11Å; D149-L152 VanDerWaalsContact OD1-CB 3.27Å; D149-L152 WeakPolarHBondContact OD1-CB 3.26Å; D149-L152 PolarHBondContact OD1-N 2.86Å; D149-L153 WeakPolarHBondContact O-CB 3.02Å; D149-L153 PolarHBondContact O-N 2.81Å
150	W	82.8	Confident	80.7	Confident	86 Å²	86	58.1 Å²	58.1	33%	0.326	29%	0.285	S	S	.	.	H	α-helix	trans	-59	-37.5	-178.6	75.4	-92.1	0	0	0	113.5	I114 L153 L154	I114-W150 HydrophobicContact CD1-CZ3 4.23Å; I114-W150 HydrophobicContact CG2-CD2 3.68Å; I114-W150 HydrophobicContact CG2-CE3 3.68Å; I114-W150 HydrophobicContact CG2-CG 4.12Å; I114-W150 HydrophobicContact CG2-CZ3 4.15Å; W150-L153 PolarHBondContact O-N 2.86Å; W150-L154 HydrophobicContact CE3-CD1 3.46Å; W150-L154 VanDerWaalsContact CE3-CD1 3.46Å; W150-L154 HydrophobicContact CE3-CG 4.24Å; W150-L154 HydrophobicContact CZ3-CD1 3.47Å; W150-L154 VanDerWaalsContact CZ3-CD1 3.47Å; W150-L154 WeakPolarHBondContact O-CG 3.42Å; W150-L154 PolarHBondContact O-N 3.48Å
151	P	83.1	Confident	80.5	Confident	63 Å²	63	60.2 Å²	60.2	41%	0.409	30%	0.296	S	S	.	.	H	α-helix	trans	-61.7	-43.5	174.5	-23.7	33.5	0	0	0	112.8	D149 L154 R155	D149-P151 VanDerWaalsContact C-CD 3.49Å; D149-P151 WeakPolarHBondContact OD1-CD 3.07Å; P151-L154 PolarHBondContact O-N 2.83Å; P151-R155 PolarHBondContact O-N 3.4Å
152	L	84.9	Confident	80.6	Confident	64 Å²	64	58.2 Å²	58.2	34%	0.335	28%	0.283	S	S	.	.	H	α-helix	trans	-67.6	-39.6	178.6	-172.3	61.8	0	0	0	111.3	V146 D149 L154 R155 W156	V146-L152 HydrophobicContact CB-CD2 4.3Å; V146-L152 HydrophobicContact CG1-CB 4.36Å; V146-L152 HydrophobicContact CG1-CD2 4.22Å; V146-L152 HydrophobicContact CG1-CG 4.06Å; V146-L152 HydrophobicContact CG2-CD2 3.56Å; V146-L152 HydrophobicContact CG2-CG 4.23Å; D149-L152 HydrophobicContact CB-CB 3.94Å; D149-L152 PolarHBondContact O-N 3.11Å; D149-L152 VanDerWaalsContact OD1-CB 3.27Å; D149-L152 WeakPolarHBondContact OD1-CB 3.26Å; D149-L152 PolarHBondContact OD1-N 2.86Å; L152-L154 VanDerWaalsContact C-N 3.31Å; L152-L154 PolarHBondContact O-N 2.68Å; L152-R155 WeakPolarHBondContact O-CB 3.3Å; L152-R155 PolarHBondContact O-N 3.33Å; L152-R155 VanDerWaalsContact O-N 3.13Å; L152-W156 PolarHBondContact O-N 2.83Å
153	L	84.3	Confident	80.5	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-42.7	174.1	-175.3	64.5	0	0	0	111.8	F98 L117 V146 D149 W150 W156 T157 F172 L176 L179	F98-L153 HydrophobicContact CE2-CD2 4.39Å; F98-L153 HydrophobicContact CZ-CD2 3.93Å; F98-L153 HydrophobicContact CZ-CG 4.17Å; L117-L153 HydrophobicContact CD1-CD2 4.49Å; L117-L153 HydrophobicContact CD2-CD2 4.01Å; V146-L153 HydrophobicContact CG1-CB 4.26Å; V146-L153 HydrophobicContact CG1-CD1 4.28Å; D149-L153 WeakPolarHBondContact O-CB 3.02Å; D149-L153 PolarHBondContact O-N 2.81Å; W150-L153 PolarHBondContact O-N 2.86Å; L153-W156 PolarHBondContact O-N 3.33Å; L153-T157 VanDerWaalsContact O-CG2 3.31Å; L153-T157 WeakPolarHBondContact O-CG2 3.38Å; L153-T157 PolarHBondContact O-N 3.23Å; L153-T157 PolarHBondContact O-OG1 3.47Å; L153-F172 HydrophobicContact CD1-CE2 3.63Å; L153-F172 HydrophobicContact CD1-CZ 4.05Å; L153-L176 HydrophobicContact CD1-CD2 3.68Å; L153-L176 HydrophobicContact CG-CD2 4.4Å; L153-L179 HydrophobicContact CD2-CD1 4.03Å
154	L	82.2	Confident	80.2	Confident	20 Å²	20	64.2 Å²	64.2	11%	0.105	31%	0.305	C	S	.	.	H	α-helix	trans	-67.5	-37.4	174.6	-69.3	179	0	0	0	112.5	F98 V102 F103 V109 W150 P151 L152 W156 T157 C158	F98-L154 HydrophobicContact CE1-CD2 4.39Å; V102-L154 HydrophobicContact CG1-CD2 3.72Å; F103-L154 HydrophobicContact CE2-CD2 3.9Å; F103-L154 HydrophobicContact CZ-CD2 3.85Å; V109-L154 HydrophobicContact CG1-CD1 4.32Å; V109-L154 HydrophobicContact CG1-CD2 4.42Å; V109-L154 HydrophobicContact CG2-CD1 4.19Å; W150-L154 HydrophobicContact CE3-CD1 3.46Å; W150-L154 VanDerWaalsContact CE3-CD1 3.46Å; W150-L154 HydrophobicContact CE3-CG 4.24Å; W150-L154 HydrophobicContact CZ3-CD1 3.47Å; W150-L154 VanDerWaalsContact CZ3-CD1 3.47Å; W150-L154 WeakPolarHBondContact O-CG 3.42Å; W150-L154 PolarHBondContact O-N 3.48Å; P151-L154 PolarHBondContact O-N 2.83Å; L152-L154 VanDerWaalsContact C-N 3.31Å; L152-L154 PolarHBondContact O-N 2.68Å; L154-W156 VanDerWaalsContact C-N 3.29Å; L154-W156 PolarHBondContact O-N 3.5Å; L154-T157 WeakPolarHBondContact CA-OG1 3.19Å; L154-T157 PolarHBondContact O-N 3.11Å; L154-T157 PolarHBondContact O-OG1 2.88Å; L154-C158 PolarHBondContact O-N 2.76Å; L154-C158 PolarHBondContact O-SG 3.29Å; L154-C158 VanDerWaalsContact O-SG 3.35Å
155	R	82.2	Confident	80.1	Confident	158 Å²	158	60.2 Å²	60.2	60%	0.596	29%	0.292	S	S	*	.	H	α-helix	trans	-62.7	-41.2	175.2	-177.8	60.6	62.6	-177.9	0.9	110.9	P151 L152 T157 C158	P151-R155 PolarHBondContact O-N 3.4Å; L152-R155 WeakPolarHBondContact O-CB 3.3Å; L152-R155 PolarHBondContact O-N 3.33Å; L152-R155 VanDerWaalsContact O-N 3.13Å; R155-T157 VanDerWaalsContact C-N 3.25Å; R155-T157 PolarHBondContact O-N 3.28Å; R155-C158 WeakPolarHBondContact O-CB 3.49Å; R155-C158 PolarHBondContact O-N 2.84Å
156	W	82.3	Confident	79.9	Confident	37 Å²	37	55.5 Å²	55.5	14%	0.14	27%	0.267	C	S	.	.	H	α-helix	trans	-72.2	-16.7	-179.6	-73.9	16.7	0	0	0	113.7	I142 V143 V146 L152 L153 L154 V162 V165 F172	I142-W156 HydrophobicContact CG2-CH2 3.75Å; I142-W156 HydrophobicContact CG2-CZ2 4.42Å; V143-W156 HydrophobicContact CG2-CZ3 4.45Å; V146-W156 HydrophobicContact CB-CE3 4.22Å; V146-W156 HydrophobicContact CB-CH2 4.34Å; V146-W156 HydrophobicContact CB-CZ3 4.02Å; V146-W156 HydrophobicContact CG1-CD2 3.95Å; V146-W156 HydrophobicContact CG1-CE3 3.7Å; V146-W156 HydrophobicContact CG1-CZ3 4.03Å; V146-W156 HydrophobicContact CG2-CD2 4.32Å; V146-W156 HydrophobicContact CG2-CE3 4Å; V146-W156 HydrophobicContact CG2-CH2 3.33Å; V146-W156 HydrophobicContact CG2-CZ2 3.63Å; V146-W156 HydrophobicContact CG2-CZ3 3.51Å; L152-W156 PolarHBondContact O-N 2.83Å; L153-W156 PolarHBondContact O-N 3.33Å; L154-W156 VanDerWaalsContact C-N 3.29Å; L154-W156 PolarHBondContact O-N 3.5Å; W156-V162 WeakPolarHBondContact O-CA 3.37Å; W156-V162 WeakPolarHBondContact O-CG2 3.29Å; W156-V165 HydrophobicContact CB-CG2 4.46Å; W156-V165 HydrophobicContact CD2-CG1 3.91Å; W156-V165 HydrophobicContact CD2-CG2 3.89Å; W156-V165 HydrophobicContact CE3-CB 4.49Å; W156-V165 HydrophobicContact CE3-CG1 3.41Å; W156-V165 VanDerWaalsContact CE3-CG1 3.41Å; W156-V165 HydrophobicContact CE3-CG2 4.26Å; W156-V165 HydrophobicContact CG-CG1 4.48Å; W156-V165 HydrophobicContact CG-CG2 3.99Å; W156-V165 HydrophobicContact CH2-CG1 4.38Å; W156-V165 HydrophobicContact CZ3-CG1 3.69Å; W156-F172 HydrophobicContact CB-CE1 3.94Å; W156-F172 HydrophobicContact CB-CE2 4.19Å; W156-F172 HydrophobicContact CB-CZ 3.47Å; W156-F172 VanDerWaalsContact CB-CZ 3.47Å; W156-F172 AromaticContact CE3-CD2 3.79Å; W156-F172 HydrophobicContact CE3-CD2 3.79Å; W156-F172 HydrophobicContact CE3-CE1 4.47Å; W156-F172 AromaticContact CE3-CE2 3.61Å; W156-F172 HydrophobicContact CE3-CE2 3.61Å; W156-F172 HydrophobicContact CE3-CG 4.32Å; W156-F172 AromaticContact CE3-CZ 3.97Å; W156-F172 HydrophobicContact CE3-CZ 3.97Å; W156-F172 HydrophobicContact CG-CZ 4.43Å; W156-F172 HydrophobicContact CZ3-CD2 4.21Å; W156-F172 HydrophobicContact CZ3-CE2 4.41Å
157	T	80.1	Confident	79.4	Confident	8 Å²	8	61.3 Å²	61.3	5%	0.049	30%	0.298	C	S	.	.	H	α-helix	trans	-89.5	-9.7	172.9	59.3	0	0	0	0	113.1	F98 L153 L154 R155 V162 F172 L176	F98-T157 HydrophobicContact CD1-CG2 3.52Å; F98-T157 HydrophobicContact CE1-CG2 3.63Å; F98-T157 HydrophobicContact CG-CG2 4.5Å; L153-T157 VanDerWaalsContact O-CG2 3.31Å; L153-T157 WeakPolarHBondContact O-CG2 3.38Å; L153-T157 PolarHBondContact O-N 3.23Å; L153-T157 PolarHBondContact O-OG1 3.47Å; L154-T157 WeakPolarHBondContact CA-OG1 3.19Å; L154-T157 PolarHBondContact O-N 3.11Å; L154-T157 PolarHBondContact O-OG1 2.88Å; R155-T157 VanDerWaalsContact C-N 3.25Å; R155-T157 PolarHBondContact O-N 3.28Å; T157-V162 WeakPolarHBondContact O-CG2 3.3Å; T157-F172 HydrophobicContact CG2-CZ 4.32Å; T157-L176 HydrophobicContact CG2-CD1 3.72Å; T157-L176 HydrophobicContact CG2-CD2 3.74Å; T157-L176 HydrophobicContact CG2-CG 4.41Å
158	C	78.5	Confident	79.1	Confident	48 Å²	48	65.1 Å²	65.1	32%	0.324	33%	0.325	S	S	.	.	S	Bend	trans	-78.5	139.9	173.8	-69.3	0	0	0	0	112.2	L154 R155 D161 V162	L154-C158 PolarHBondContact O-N 2.76Å; L154-C158 PolarHBondContact O-SG 3.29Å; L154-C158 VanDerWaalsContact O-SG 3.35Å; R155-C158 WeakPolarHBondContact O-CB 3.49Å; R155-C158 PolarHBondContact O-N 2.84Å; C158-D161 PolarHBondContact O-N 2.86Å; C158-D161 VanDerWaalsContact O-N 3.1Å; C158-V162 WeakPolarHBondContact O-CG2 3.38Å; C158-V162 PolarHBondContact O-N 3.24Å
159	K	72.2	Confident	78.9	Confident	146 Å²	146	62.2 Å²	62.2	64%	0.635	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	138.6	169.3	-64	-179.7	178.7	179.8	0	108.8
160	P	67.7	Low	78.3	Confident	82 Å²	82	60.1 Å²	60.1	53%	0.532	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	cis	-96.8	2.7	6.3	37.8	-35.1	0	0	0	115	V162 Y163	P160-V162 VanDerWaalsContact C-N 3.27Å; P160-V162 PolarHBondContact O-N 3.2Å; P160-Y163 PolarHBondContact O-N 3.16Å
161	D	75	Confident	78.2	Confident	54 Å²	54	56.3 Å²	56.3	29%	0.289	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-32.6	-171.7	-66.8	-28.6	0	0	0	112.5	C158 Y163 K164 V165	C158-D161 PolarHBondContact O-N 2.86Å; C158-D161 VanDerWaalsContact O-N 3.1Å; D161-Y163 VanDerWaalsContact C-N 3.26Å; D161-Y163 PolarHBondContact O-N 2.99Å; D161-K164 PolarHBondContact O-N 3.3Å; D161-K164 VanDerWaalsContact O-N 3.16Å; D161-V165 WeakPolarHBondContact O-CB 3.49Å; D161-V165 VanDerWaalsContact O-CG2 3.29Å; D161-V165 WeakPolarHBondContact O-CG2 3.39Å; D161-V165 PolarHBondContact O-N 3.45Å
162	V	77.1	Confident	78.1	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.03	27%	0.269	C	S	.	.	H	α-helix	trans	-46.3	-47.1	174.4	173.8	0	0	0	0	112.8	V91 V95 W156 T157 C158 P160 V165 A166	V91-V162 HydrophobicContact CG1-CG1 3.89Å; V95-V162 HydrophobicContact CG1-CG1 4.4Å; V95-V162 HydrophobicContact CG1-CG2 4.13Å; V95-V162 HydrophobicContact CG2-CG1 3.64Å; W156-V162 WeakPolarHBondContact O-CA 3.37Å; W156-V162 WeakPolarHBondContact O-CG2 3.29Å; T157-V162 WeakPolarHBondContact O-CG2 3.3Å; C158-V162 WeakPolarHBondContact O-CG2 3.38Å; C158-V162 PolarHBondContact O-N 3.24Å; P160-V162 VanDerWaalsContact C-N 3.27Å; P160-V162 PolarHBondContact O-N 3.2Å; V162-V165 PolarHBondContact O-N 2.82Å; V162-A166 VanDerWaalsContact O-CB 3.24Å; V162-A166 WeakPolarHBondContact O-CB 3.43Å; V162-A166 PolarHBondContact O-N 2.9Å
163	Y	77.2	Confident	77.9	Confident	67 Å²	67	50.4 Å²	50.4	26%	0.263	25%	0.253	S	S	.	.	H	α-helix	trans	-70.4	-42.9	-174.9	-63.8	-68.7	0	0	0	111.2	K88 P160 D161 V165 A166 D167	K88-Y163 HydrophobicContact CG-CE1 4.01Å; P160-Y163 PolarHBondContact O-N 3.16Å; D161-Y163 VanDerWaalsContact C-N 3.26Å; D161-Y163 PolarHBondContact O-N 2.99Å; Y163-V165 VanDerWaalsContact C-N 3.3Å; Y163-V165 PolarHBondContact O-N 3.46Å; Y163-A166 PolarHBondContact O-N 3.46Å; Y163-D167 WeakPolarHBondContact O-CB 3.41Å; Y163-D167 PolarHBondContact O-N 2.74Å
164	K	77	Confident	77.7	Confident	137 Å²	137	55.5 Å²	55.5	60%	0.596	28%	0.275	S	S	*	.	H	α-helix	trans	-63.9	-38.6	176.7	-63.7	179	-178.4	172.6	0	111.8	D161 S168	D161-K164 PolarHBondContact O-N 3.3Å; D161-K164 VanDerWaalsContact O-N 3.16Å; K164-S168 WeakPolarHBondContact O-CB 3.49Å; K164-S168 PolarHBondContact O-N 2.99Å; K164-S168 VanDerWaalsContact O-N 3.12Å; K164-S168 PolarHBondContact O-OG 2.88Å
165	V	77.6	Confident	77.9	Confident	15 Å²	15	54.5 Å²	54.5	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-69.4	-44.8	176.6	172.7	0	0	0	0	110.1	W156 D161 V162 Y163 D167 S168 H169 F172	W156-V165 HydrophobicContact CB-CG2 4.46Å; W156-V165 HydrophobicContact CD2-CG1 3.91Å; W156-V165 HydrophobicContact CD2-CG2 3.89Å; W156-V165 HydrophobicContact CE3-CB 4.49Å; W156-V165 HydrophobicContact CE3-CG1 3.41Å; W156-V165 VanDerWaalsContact CE3-CG1 3.41Å; W156-V165 HydrophobicContact CE3-CG2 4.26Å; W156-V165 HydrophobicContact CG-CG1 4.48Å; W156-V165 HydrophobicContact CG-CG2 3.99Å; W156-V165 HydrophobicContact CH2-CG1 4.38Å; W156-V165 HydrophobicContact CZ3-CG1 3.69Å; D161-V165 WeakPolarHBondContact O-CB 3.49Å; D161-V165 VanDerWaalsContact O-CG2 3.29Å; D161-V165 WeakPolarHBondContact O-CG2 3.39Å; D161-V165 PolarHBondContact O-N 3.45Å; V162-V165 PolarHBondContact O-N 2.82Å; Y163-V165 VanDerWaalsContact C-N 3.3Å; Y163-V165 PolarHBondContact O-N 3.46Å; V165-D167 VanDerWaalsContact C-N 3.32Å; V165-D167 PolarHBondContact O-N 2.78Å; V165-S168 CarbonylContact O-C 3.58Å; V165-S168 PolarHBondContact O-N 3.11Å; V165-S168 VanDerWaalsContact O-N 3.14Å; V165-H169 HydrophobicContact CG1-CB 4.47Å; V165-H169 WeakPolarHBondContact O-CA 3.37Å; V165-H169 VanDerWaalsContact O-CB 3.31Å; V165-H169 WeakPolarHBondContact O-CB 3.29Å; V165-H169 PolarHBondContact O-N 3.38Å; V165-F172 HydrophobicContact CG1-CB 4.2Å; V165-F172 HydrophobicContact CG1-CD1 3.66Å; V165-F172 HydrophobicContact CG1-CE1 4.11Å; V165-F172 HydrophobicContact CG1-CG 3.88Å
166	A	77	Confident	77.9	Confident	6 Å²	6	47 Å²	47	5%	0.05	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-37.9	177.8	0	0	0	0	0	112.4	V91 V162 Y163 S168 H169 P173	V91-A166 HydrophobicContact CG1-CB 3.91Å; V91-A166 HydrophobicContact CG2-CB 4.24Å; V162-A166 VanDerWaalsContact O-CB 3.24Å; V162-A166 WeakPolarHBondContact O-CB 3.43Å; V162-A166 PolarHBondContact O-N 2.9Å; Y163-A166 PolarHBondContact O-N 3.46Å; A166-S168 VanDerWaalsContact C-N 3.32Å; A166-H169 CarbonylContact O-C 3.44Å; A166-P173 HydrophobicContact CB-CG 4.2Å
167	D	76.7	Confident	77.9	Confident	126 Å²	126	46 Å²	46	67%	0.674	24%	0.242	S	C	*	.	H	α-helix	trans	-65.5	-36	174.2	-68.8	-22.6	0	0	0	111.9	Y163 V165	Y163-D167 WeakPolarHBondContact O-CB 3.41Å; Y163-D167 PolarHBondContact O-N 2.74Å; V165-D167 VanDerWaalsContact C-N 3.32Å; V165-D167 PolarHBondContact O-N 2.78Å
168	S	76.6	Confident	78	Confident	82 Å²	82	48.1 Å²	48.1	57%	0.573	25%	0.249	S	C	*	.	H	α-helix	trans	-84.1	-30.1	-179.6	-54.8	0	0	0	0	113	K164 V165 A166	K164-S168 WeakPolarHBondContact O-CB 3.49Å; K164-S168 PolarHBondContact O-N 2.99Å; K164-S168 VanDerWaalsContact O-N 3.12Å; K164-S168 PolarHBondContact O-OG 2.88Å; V165-S168 CarbonylContact O-C 3.58Å; V165-S168 PolarHBondContact O-N 3.11Å; V165-S168 VanDerWaalsContact O-N 3.14Å; A166-S168 VanDerWaalsContact C-N 3.32Å
169	H	77	Confident	78.3	Confident	29 Å²	29	45.8 Å²	45.8	13%	0.134	23%	0.234	C	C	.	.			trans	-140.7	80.2	-169.6	-62.6	-67.4	0	0	0	109.8	D140 V143 V165 A166 T171 F172	D140-H169 IonicContact OD1-CE1 3.77Å; D140-H169 IonicContact OD1-ND1 3.48Å; D140-H169 PolarHBondContact OD1-ND1 3.22Å; D140-H169 IonicContact OD2-CE1 3.85Å; D140-H169 IonicContact OD2-CG 3.48Å; D140-H169 IonicContact OD2-ND1 3.3Å; D140-H169 PolarHBondContact OD2-ND1 3.35Å; V143-H169 HydrophobicContact CG2-CB 3.71Å; V165-H169 HydrophobicContact CG1-CB 4.47Å; V165-H169 WeakPolarHBondContact O-CA 3.37Å; V165-H169 VanDerWaalsContact O-CB 3.31Å; V165-H169 WeakPolarHBondContact O-CB 3.29Å; V165-H169 PolarHBondContact O-N 3.38Å; A166-H169 CarbonylContact O-C 3.44Å; H169-T171 PolarHBondContact O-N 3.39Å; H169-F172 HydrophobicContact CB-CB 4.29Å; H169-F172 WeakPolarHBondContact O-CB 3.45Å; H169-F172 PolarHBondContact O-N 3.4Å
170	P	73.7	Confident	78.8	Confident	29 Å²	29	39 Å²	39	19%	0.188	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.9	-177.5	27	-35.8	0	0	0	113.6	S83	S83-P170 WeakPolarHBondContact OG-CG 3.42Å
171	T	79.1	Confident	79.6	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.031	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-22.7	176.1	57	0	0	0	0	112.7	S136 H169 K174 V175	S136-T171 VanDerWaalsContact CB-CG2 3.47Å; S136-T171 VanDerWaalsContact OG-CG2 3.3Å; S136-T171 WeakPolarHBondContact OG-CG2 3.38Å; H169-T171 PolarHBondContact O-N 3.39Å; T171-K174 PolarHBondContact O-N 2.92Å; T171-V175 WeakPolarHBondContact O-CG2 3.28Å; T171-V175 PolarHBondContact O-N 3.46Å
172	F	82.1	Confident	80	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-46.1	-174.7	179.1	-110	0	0	0	114.2	V143 L153 W156 T157 V165 H169 K174 V175 L176	V143-F172 HydrophobicContact CG1-CD2 4.28Å; V143-F172 HydrophobicContact CG2-CB 4.28Å; L153-F172 HydrophobicContact CD1-CE2 3.63Å; L153-F172 HydrophobicContact CD1-CZ 4.05Å; W156-F172 HydrophobicContact CB-CE1 3.94Å; W156-F172 HydrophobicContact CB-CE2 4.19Å; W156-F172 HydrophobicContact CB-CZ 3.47Å; W156-F172 VanDerWaalsContact CB-CZ 3.47Å; W156-F172 AromaticContact CE3-CD2 3.79Å; W156-F172 HydrophobicContact CE3-CD2 3.79Å; W156-F172 HydrophobicContact CE3-CE1 4.47Å; W156-F172 AromaticContact CE3-CE2 3.61Å; W156-F172 HydrophobicContact CE3-CE2 3.61Å; W156-F172 HydrophobicContact CE3-CG 4.32Å; W156-F172 AromaticContact CE3-CZ 3.97Å; W156-F172 HydrophobicContact CE3-CZ 3.97Å; W156-F172 HydrophobicContact CG-CZ 4.43Å; W156-F172 HydrophobicContact CZ3-CD2 4.21Å; W156-F172 HydrophobicContact CZ3-CE2 4.41Å; T157-F172 HydrophobicContact CG2-CZ 4.32Å; V165-F172 HydrophobicContact CG1-CB 4.2Å; V165-F172 HydrophobicContact CG1-CD1 3.66Å; V165-F172 HydrophobicContact CG1-CE1 4.11Å; V165-F172 HydrophobicContact CG1-CG 3.88Å; H169-F172 HydrophobicContact CB-CB 4.29Å; H169-F172 WeakPolarHBondContact O-CB 3.45Å; H169-F172 PolarHBondContact O-N 3.4Å; F172-K174 PolarHBondContact O-N 3.41Å; F172-V175 WeakPolarHBondContact O-CB 3.45Å; F172-V175 PolarHBondContact O-N 2.9Å; F172-L176 HydrophobicContact CD1-CD1 3.98Å; F172-L176 HydrophobicContact CD1-CG 4.43Å; F172-L176 HydrophobicContact CE1-CD1 3.41Å; F172-L176 VanDerWaalsContact CE1-CD1 3.41Å; F172-L176 HydrophobicContact CE1-CD2 4.5Å; F172-L176 HydrophobicContact CE1-CG 4.04Å; F172-L176 HydrophobicContact CE2-CD1 4.37Å; F172-L176 HydrophobicContact CE2-CD2 4.08Å; F172-L176 HydrophobicContact CE2-CG 4.12Å; F172-L176 HydrophobicContact CZ-CD1 3.64Å; F172-L176 HydrophobicContact CZ-CD2 3.87Å; F172-L176 HydrophobicContact CZ-CG 3.86Å; F172-L176 WeakPolarHBondContact O-CG 3.47Å; F172-L176 PolarHBondContact O-N 3.2Å
173	P	80.8	Confident	80.2	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-41.7	179.5	-22.5	34.6	0	0	0	112.9	P86 V91 D94 A166 V175 L176 A177	P86-P173 HydrophobicContact CG-CG 4.37Å; V91-P173 HydrophobicContact CB-CG 4.43Å; V91-P173 HydrophobicContact CG1-CB 4.5Å; V91-P173 HydrophobicContact CG1-CG 4.06Å; V91-P173 HydrophobicContact CG2-CB 4.44Å; V91-P173 HydrophobicContact CG2-CG 3.97Å; D94-P173 HydrophobicContact CB-CB 4.2Å; A166-P173 HydrophobicContact CB-CG 4.2Å; P173-V175 VanDerWaalsContact C-N 3.3Å; P173-V175 PolarHBondContact O-N 3.48Å; P173-L176 WeakPolarHBondContact O-CB 3.29Å; P173-L176 PolarHBondContact O-N 3.28Å; P173-L176 VanDerWaalsContact O-N 3.11Å; P173-A177 PolarHBondContact O-N 3.13Å
174	K	80.6	Confident	80.4	Confident	108 Å²	108	40.9 Å²	40.9	47%	0.47	21%	0.21	S	C	.	.	H	α-helix	trans	-62.4	-38.8	177.3	-64.1	-178.9	180	177.4	0	111.9	I134 T171 F172 A177 Y178	I134-K174 HydrophobicContact CD1-CB 4.08Å; T171-K174 PolarHBondContact O-N 2.92Å; F172-K174 PolarHBondContact O-N 3.41Å; K174-A177 PolarHBondContact O-N 2.99Å; K174-Y178 PolarHBondContact O-N 3.35Å
175	V	84.9	Confident	80.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-44.1	173.8	166.7	0	0	0	0	111	M130 I134 L137 V143 I147 T171 F172 P173 A177 Y178 L179	M130-V175 HydrophobicContact CE-CG1 4.36Å; M130-V175 HydrophobicContact SD-CG1 3.85Å; M130-V175 HydrophobicContact SD-CG2 4.3Å; I134-V175 HydrophobicContact CD1-CG2 3.99Å; L137-V175 HydrophobicContact CD1-CG2 4.01Å; L137-V175 HydrophobicContact CD2-CG2 4.33Å; V143-V175 HydrophobicContact CG1-CG2 4.11Å; I147-V175 HydrophobicContact CD1-CG1 3.6Å; I147-V175 HydrophobicContact CG1-CG1 3.7Å; T171-V175 WeakPolarHBondContact O-CG2 3.28Å; T171-V175 PolarHBondContact O-N 3.46Å; F172-V175 WeakPolarHBondContact O-CB 3.45Å; F172-V175 PolarHBondContact O-N 2.9Å; P173-V175 VanDerWaalsContact C-N 3.3Å; P173-V175 PolarHBondContact O-N 3.48Å; V175-A177 PolarHBondContact O-N 3.27Å; V175-Y178 PolarHBondContact O-N 3.3Å; V175-L179 HydrophobicContact CG1-CD1 4.07Å; V175-L179 HydrophobicContact CG1-CG 4.49Å; V175-L179 WeakPolarHBondContact O-CB 3.4Å; V175-L179 WeakPolarHBondContact O-CG 3.45Å; V175-L179 PolarHBondContact O-N 3.01Å
176	L	82.9	Confident	79.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-43.6	176.3	-70.4	179.1	0	0	0	112.1	V95 F98 L153 T157 F172 P173 Y178 L179 A180	V95-L176 HydrophobicContact CG2-CD1 3.78Å; F98-L176 HydrophobicContact CB-CB 4.19Å; F98-L176 HydrophobicContact CD1-CD2 4.08Å; F98-L176 HydrophobicContact CD2-CD2 3.96Å; F98-L176 HydrophobicContact CE1-CD2 4.25Å; F98-L176 HydrophobicContact CE2-CD2 4.14Å; F98-L176 HydrophobicContact CG-CB 4.43Å; F98-L176 HydrophobicContact CG-CD2 3.92Å; F98-L176 HydrophobicContact CZ-CD2 4.27Å; L153-L176 HydrophobicContact CD1-CD2 3.68Å; L153-L176 HydrophobicContact CG-CD2 4.4Å; T157-L176 HydrophobicContact CG2-CD1 3.72Å; T157-L176 HydrophobicContact CG2-CD2 3.74Å; T157-L176 HydrophobicContact CG2-CG 4.41Å; F172-L176 HydrophobicContact CD1-CD1 3.98Å; F172-L176 HydrophobicContact CD1-CG 4.43Å; F172-L176 HydrophobicContact CE1-CD1 3.41Å; F172-L176 VanDerWaalsContact CE1-CD1 3.41Å; F172-L176 HydrophobicContact CE1-CD2 4.5Å; F172-L176 HydrophobicContact CE1-CG 4.04Å; F172-L176 HydrophobicContact CE2-CD1 4.37Å; F172-L176 HydrophobicContact CE2-CD2 4.08Å; F172-L176 HydrophobicContact CE2-CG 4.12Å; F172-L176 HydrophobicContact CZ-CD1 3.64Å; F172-L176 HydrophobicContact CZ-CD2 3.87Å; F172-L176 HydrophobicContact CZ-CG 3.86Å; F172-L176 WeakPolarHBondContact O-CG 3.47Å; F172-L176 PolarHBondContact O-N 3.2Å; P173-L176 WeakPolarHBondContact O-CB 3.29Å; P173-L176 PolarHBondContact O-N 3.28Å; P173-L176 VanDerWaalsContact O-N 3.11Å; L176-Y178 PolarHBondContact O-N 2.97Å; L176-L179 PolarHBondContact O-N 3.3Å; L176-A180 WeakPolarHBondContact O-CB 3.35Å; L176-A180 PolarHBondContact O-N 3.41Å
177	A	81.8	Confident	79	Confident	16 Å²	16	48 Å²	48	13%	0.132	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-41.6	176	0	0	0	0	0	112.1	D94 P173 K174 V175 A180 N181	D94-A177 HydrophobicContact CB-CB 4.08Å; P173-A177 PolarHBondContact O-N 3.13Å; K174-A177 PolarHBondContact O-N 2.99Å; V175-A177 PolarHBondContact O-N 3.27Å; A177-A180 PolarHBondContact O-N 2.89Å; A177-N181 WeakPolarHBondContact O-CB 3.24Å; A177-N181 PolarHBondContact O-N 3.42Å; A177-N181 PolarHBondContact O-ND2 2.86Å; A177-N181 VanDerWaalsContact O-ND2 3.12Å
178	Y	82.6	Confident	78	Confident	52 Å²	52	45.8 Å²	45.8	20%	0.204	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-43.2	175.2	-174.1	-92.6	0	0	0	111.7	F126 E129 M130 K174 V175 L176 N181 A182	F126-Y178 HydrophobicContact CD2-CE1 4.45Å; F126-Y178 HydrophobicContact CE1-CE1 4.31Å; F126-Y178 HydrophobicContact CE2-CD1 4.35Å; F126-Y178 AromaticContact CE2-CE1 3.47Å; F126-Y178 HydrophobicContact CE2-CE1 3.47Å; F126-Y178 VanDerWaalsContact CE2-CE1 3.47Å; F126-Y178 AromaticContact CZ-CD1 3.86Å; F126-Y178 HydrophobicContact CZ-CD1 3.86Å; F126-Y178 AromaticContact CZ-CE1 3.39Å; F126-Y178 HydrophobicContact CZ-CE1 3.39Å; E129-Y178 PolarHBondContact OE1-OH 3.14Å; M130-Y178 HydrophobicContact CB-CD1 4.14Å; M130-Y178 HydrophobicContact CB-CE1 3.81Å; M130-Y178 HydrophobicContact CE-CD1 3.68Å; M130-Y178 HydrophobicContact CE-CE1 4.15Å; M130-Y178 HydrophobicContact CG-CD1 3.75Å; M130-Y178 HydrophobicContact CG-CE1 3.96Å; M130-Y178 HydrophobicContact CG-CG 4.43Å; M130-Y178 HydrophobicContact SD-CD1 4.47Å; K174-Y178 PolarHBondContact O-N 3.35Å; V175-Y178 PolarHBondContact O-N 3.3Å; L176-Y178 PolarHBondContact O-N 2.97Å; Y178-N181 PolarHBondContact O-N 2.87Å; Y178-A182 WeakPolarHBondContact O-CB 3.07Å; Y178-A182 PolarHBondContact O-N 3.02Å
179	L	84.5	Confident	76.8	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-44.3	174.5	-75.2	173.1	0	0	0	112.3	F98 L117 L120 T121 F126 M130 L153 V175 L176 N181 A182 L183	F98-L179 HydrophobicContact CD2-CB 4.28Å; F98-L179 HydrophobicContact CE2-CB 4.17Å; F98-L179 HydrophobicContact CE2-CD1 4.46Å; L117-L179 HydrophobicContact CD1-CD1 4.43Å; L117-L179 HydrophobicContact CD1-CD2 4.01Å; L120-L179 HydrophobicContact CD2-CD2 4.06Å; T121-L179 HydrophobicContact CG2-CD2 4.16Å; F126-L179 HydrophobicContact CE1-CD2 3.78Å; F126-L179 HydrophobicContact CZ-CD2 4.15Å; M130-L179 HydrophobicContact CE-CD1 4.46Å; M130-L179 HydrophobicContact CE-CD2 3.49Å; M130-L179 VanDerWaalsContact CE-CD2 3.49Å; M130-L179 HydrophobicContact CE-CG 3.71Å; L153-L179 HydrophobicContact CD2-CD1 4.03Å; V175-L179 HydrophobicContact CG1-CD1 4.07Å; V175-L179 HydrophobicContact CG1-CG 4.49Å; V175-L179 WeakPolarHBondContact O-CB 3.4Å; V175-L179 WeakPolarHBondContact O-CG 3.45Å; V175-L179 PolarHBondContact O-N 3.01Å; L176-L179 PolarHBondContact O-N 3.3Å; L179-N181 VanDerWaalsContact C-N 3.32Å; L179-N181 PolarHBondContact O-N 2.84Å; L179-A182 PolarHBondContact O-N 2.9Å; L179-L183 WeakPolarHBondContact O-CB 3.31Å; L179-L183 VanDerWaalsContact O-CG 3.32Å; L179-L183 WeakPolarHBondContact O-CG 3.36Å; L179-L183 PolarHBondContact O-N 3.46Å
180	A	83.3	Confident	75.5	Confident	4 Å²	4	46 Å²	46	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-43.8	177.4	0	0	0	0	0	111.3	A97 F98 V101 L176 A177 L183 K184	A97-A180 HydrophobicContact CB-CB 4.39Å; F98-A180 HydrophobicContact CB-CB 4.32Å; V101-A180 HydrophobicContact CG2-CB 4.48Å; L176-A180 WeakPolarHBondContact O-CB 3.35Å; L176-A180 PolarHBondContact O-N 3.41Å; A177-A180 PolarHBondContact O-N 2.89Å; A180-L183 PolarHBondContact O-N 3.2Å; A180-K184 WeakPolarHBondContact O-CB 3.31Å; A180-K184 PolarHBondContact O-N 3.46Å
181	N	84.8	Confident	74.2	Confident	92 Å²	92	50.5 Å²	50.5	49%	0.492	27%	0.266	S	S	.	.	H	α-helix	trans	-66.9	-40.7	176.3	-75.6	-37.9	0	0	0	112.6	A177 Y178 L179 K184 K185	A177-N181 WeakPolarHBondContact O-CB 3.24Å; A177-N181 PolarHBondContact O-N 3.42Å; A177-N181 PolarHBondContact O-ND2 2.86Å; A177-N181 VanDerWaalsContact O-ND2 3.12Å; Y178-N181 PolarHBondContact O-N 2.87Å; L179-N181 VanDerWaalsContact C-N 3.32Å; L179-N181 PolarHBondContact O-N 2.84Å; N181-K184 PolarHBondContact O-N 3.22Å; N181-K185 WeakPolarHBondContact O-CB 3.39Å; N181-K185 VanDerWaalsContact O-CG 3.29Å; N181-K185 WeakPolarHBondContact O-CG 3.38Å; N181-K185 PolarHBondContact O-N 3.41Å
182	A	82.1	Confident	72.5	Confident	14 Å²	14	52.6 Å²	52.6	12%	0.116	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-42	176	0	0	0	0	0	111.8	L120 F126 Y178 L179 R186	L120-A182 HydrophobicContact CD2-CB 3.84Å; F126-A182 HydrophobicContact CE2-CB 3.72Å; F126-A182 HydrophobicContact CZ-CB 3.64Å; Y178-A182 WeakPolarHBondContact O-CB 3.07Å; Y178-A182 PolarHBondContact O-N 3.02Å; L179-A182 PolarHBondContact O-N 2.9Å; A182-R186 WeakPolarHBondContact O-CB 3.41Å; A182-R186 WeakPolarHBondContact O-CG 3.48Å; A182-R186 PolarHBondContact O-N 2.87Å
183	L	81	Confident	70.7	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-64.6	-44.6	174.1	-73.7	173.1	0	0	0	111.5	V101 V102 E116 L117 L120 L179 A180 R186 T187	V101-L183 HydrophobicContact CG1-CB 3.73Å; V101-L183 HydrophobicContact CG1-CD1 3.95Å; V102-L183 HydrophobicContact CG2-CD1 3.91Å; E116-L183 HydrophobicContact CB-CD2 4.32Å; L117-L183 HydrophobicContact CB-CD1 4.4Å; L117-L183 HydrophobicContact CB-CD2 4.13Å; L117-L183 HydrophobicContact CD1-CD1 4.16Å; L120-L183 HydrophobicContact CD2-CD2 4.4Å; L120-L183 HydrophobicContact CD2-CG 4.47Å; L179-L183 WeakPolarHBondContact O-CB 3.31Å; L179-L183 VanDerWaalsContact O-CG 3.32Å; L179-L183 WeakPolarHBondContact O-CG 3.36Å; L179-L183 PolarHBondContact O-N 3.46Å; A180-L183 PolarHBondContact O-N 3.2Å; L183-R186 PolarHBondContact O-N 3.28Å; L183-T187 WeakPolarHBondContact O-CG2 3.42Å; L183-T187 PolarHBondContact O-N 3.05Å; L183-T187 PolarHBondContact O-OG1 3.4Å
184	K	81.5	Confident	69.2	Low	137 Å²	137	63.1 Å²	63.1	60%	0.596	34%	0.34	S	S	*	.	H	α-helix	trans	-60.6	-49.4	177.7	-171.6	173	-177.6	175.1	0	111.5	A180 N181 R186 T187 S188	A180-K184 WeakPolarHBondContact O-CB 3.31Å; A180-K184 PolarHBondContact O-N 3.46Å; N181-K184 PolarHBondContact O-N 3.22Å; K184-R186 VanDerWaalsContact C-N 3.29Å; K184-R186 PolarHBondContact O-N 3.44Å; K184-T187 WeakPolarHBondContact CA-OG1 3.44Å; K184-T187 PolarHBondContact O-N 2.92Å; K184-T187 VanDerWaalsContact O-N 3.16Å; K184-T187 PolarHBondContact O-OG1 2.83Å; K184-S188 PolarHBondContact O-N 2.95Å; K184-S188 PolarHBondContact O-OG 3.16Å
185	K	79.2	Confident	67.5	Low	148 Å²	148	62.7 Å²	62.7	64%	0.643	34%	0.343	S	S	*	.	H	α-helix	trans	-55.4	-44	175.7	-75.1	175.9	-178.3	-179.3	0	111.5	N181 S188 S189	N181-K185 WeakPolarHBondContact O-CB 3.39Å; N181-K185 VanDerWaalsContact O-CG 3.29Å; N181-K185 WeakPolarHBondContact O-CG 3.38Å; N181-K185 PolarHBondContact O-N 3.41Å; K185-S188 WeakPolarHBondContact CA-OG 3.35Å; K185-S188 PolarHBondContact O-N 3.36Å; K185-S188 PolarHBondContact O-OG 3.49Å; K185-S189 PolarHBondContact O-N 3.25Å; K185-S189 PolarHBondContact O-OG 3.39Å; K185-S189 VanDerWaalsContact O-OG 3.13Å
186	R	64.5	Low	65.6	Low	92 Å²	92	64.1 Å²	64.1	35%	0.347	35%	0.35	S	S	.	.	H	α-helix	trans	-68.7	-38	177.4	-74	-175.9	-179.5	-152.3	2.3	113.1	A182 L183 K184 S189 A190	A182-R186 WeakPolarHBondContact O-CB 3.41Å; A182-R186 WeakPolarHBondContact O-CG 3.48Å; A182-R186 PolarHBondContact O-N 2.87Å; L183-R186 PolarHBondContact O-N 3.28Å; K184-R186 VanDerWaalsContact C-N 3.29Å; K184-R186 PolarHBondContact O-N 3.44Å; R186-S189 CarbonylContact O-C 3.53Å; R186-S189 PolarHBondContact O-N 3.35Å; R186-A190 WeakPolarHBondContact O-CA 3.45Å; R186-A190 WeakPolarHBondContact O-CB 3.32Å; R186-A190 PolarHBondContact O-N 3.26Å
187	T	59.8	Low	64.1	Low	66 Å²	66	68 Å²	68	41%	0.405	37%	0.374	S	S	.	.	H	α-helix	trans	-65.3	-39.1	174.9	53.3	0	0	0	0	112.4	L183 K184 A190 D191	L183-T187 WeakPolarHBondContact O-CG2 3.42Å; L183-T187 PolarHBondContact O-N 3.05Å; L183-T187 PolarHBondContact O-OG1 3.4Å; K184-T187 WeakPolarHBondContact CA-OG1 3.44Å; K184-T187 PolarHBondContact O-N 2.92Å; K184-T187 VanDerWaalsContact O-N 3.16Å; K184-T187 PolarHBondContact O-OG1 2.83Å; T187-A190 PolarHBondContact O-N 2.95Å; T187-D191 PolarHBondContact O-N 3.13Å
188	S	55.2	Low	62.7	Low	81 Å²	81	76.2 Å²	76.2	57%	0.566	40%	0.401	S	S	*	.	H	α-helix	trans	-69.6	-30.6	174.6	42.8	0	0	0	0	113.2	K184 K185	K184-S188 PolarHBondContact O-N 2.95Å; K184-S188 PolarHBondContact O-OG 3.16Å; K185-S188 WeakPolarHBondContact CA-OG 3.35Å; K185-S188 PolarHBondContact O-N 3.36Å; K185-S188 PolarHBondContact O-OG 3.49Å
189	S	52.4	Low	61	Low	85 Å²	85	76.3 Å²	76.3	59%	0.594	41%	0.41	S	S	*	.	H	α-helix	trans	-80.1	-23.6	171.3	-60.1	0	0	0	0	112.8	K185 R186 G192	K185-S189 PolarHBondContact O-N 3.25Å; K185-S189 PolarHBondContact O-OG 3.39Å; K185-S189 VanDerWaalsContact O-OG 3.13Å; R186-S189 CarbonylContact O-C 3.53Å; R186-S189 PolarHBondContact O-N 3.35Å; S189-G192 WeakPolarHBondContact O-CA 3.41Å; S189-G192 PolarHBondContact O-N 3.34Å
190	A	49.6	Very low	59.4	Low	30 Å²	30	81.3 Å²	81.3	25%	0.248	43%	0.433	C	S	.	.	H	α-helix	trans	-78.6	-13.8	-176.7	0	0	0	0	0	114.1	R186 T187 G192 Q193 L194	R186-A190 WeakPolarHBondContact O-CA 3.45Å; R186-A190 WeakPolarHBondContact O-CB 3.32Å; R186-A190 PolarHBondContact O-N 3.26Å; T187-A190 PolarHBondContact O-N 2.95Å; A190-G192 PolarHBondContact O-N 2.9Å; A190-Q193 CarbonylContact O-C 3.6Å; A190-Q193 PolarHBondContact O-N 3.21Å; A190-L194 PolarHBondContact O-N 3.3Å
191	D	45	Very low	58	Low	124 Å²	124	86.2 Å²	86.2	66%	0.663	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.3	160.5	-92.3	-29.2	0	0	0	111.3	T187	T187-D191 PolarHBondContact O-N 3.13Å
192	G	43.3	Very low	56.4	Low	48 Å²	48	91 Å²	91	50%	0.495	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-22.4	167.9	0	0	0	0	0	114.5	S189 A190	S189-G192 WeakPolarHBondContact O-CA 3.41Å; S189-G192 PolarHBondContact O-N 3.34Å; A190-G192 PolarHBondContact O-N 2.9Å
193	Q	44.8	Very low	54.8	Low	114 Å²	114	97 Å²	97	53%	0.533	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-19	-170.3	-134.2	170.4	-1.3	0	0	114.1	A190 N195 D196 V197	A190-Q193 CarbonylContact O-C 3.6Å; A190-Q193 PolarHBondContact O-N 3.21Å; Q193-N195 PolarHBondContact O-N 3.13Å; Q193-D196 HydrophobicContact CB-CB 4.48Å; Q193-D196 HydrophobicContact CG-CB 3.86Å; Q193-D196 WeakPolarHBondContact O-CA 3.22Å; Q193-D196 WeakPolarHBondContact O-CB 3.25Å; Q193-D196 PolarHBondContact O-N 3.27Å; Q193-V197 PolarHBondContact O-N 3.1Å; Q193-V197 VanDerWaalsContact O-N 3.14Å
194	L	49.8	Very low	53.2	Low	110 Å²	110	101.5 Å²	101.5	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-65.8	-28.2	160.6	-70.1	176.3	0	0	0	111.2	A190 D196 R198	A190-L194 PolarHBondContact O-N 3.3Å; L194-D196 PolarHBondContact O-N 3.3Å; L194-R198 WeakPolarHBondContact O-CB 3.44Å; L194-R198 PolarHBondContact O-N 3.42Å
195	N	44.9	Very low	51.7	Low	99 Å²	99	105.3 Å²	105.3	53%	0.529	52%	0.524	S	S	.	.	H	α-helix	trans	-68.3	-22.9	164.6	-82.1	-21.7	0	0	0	113	Q193 S199	Q193-N195 PolarHBondContact O-N 3.13Å; N195-S199 WeakPolarHBondContact O-CB 3.43Å; N195-S199 PolarHBondContact O-N 2.86Å; N195-S199 PolarHBondContact O-OG 3.4Å
196	D	45	Very low	50.2	Low	31 Å²	31	105.1 Å²	105.1	17%	0.166	53%	0.527	C	S	.	.	H	α-helix	trans	-73.9	-45.9	175.6	-153.9	25.6	0	0	0	110.9	Q193 L194 S199 Q200 R275	Q193-D196 HydrophobicContact CB-CB 4.48Å; Q193-D196 HydrophobicContact CG-CB 3.86Å; Q193-D196 WeakPolarHBondContact O-CA 3.22Å; Q193-D196 WeakPolarHBondContact O-CB 3.25Å; Q193-D196 PolarHBondContact O-N 3.27Å; L194-D196 PolarHBondContact O-N 3.3Å; D196-S199 WeakPolarHBondContact CA-OG 3.47Å; D196-S199 PolarHBondContact O-N 3.17Å; D196-S199 PolarHBondContact O-OG 2.84Å; D196-Q200 VanDerWaalsContact O-CB 3.22Å; D196-Q200 WeakPolarHBondContact O-CB 3.49Å; D196-Q200 PolarHBondContact O-N 2.83Å; D196-R275 VanDerWaalsContact CG-NH2 3.33Å; D196-R275 IonicContact OD1-CZ 3.63Å; D196-R275 VanDerWaalsContact OD1-CZ 3.26Å; D196-R275 IonicContact OD1-NH1 3.7Å; D196-R275 PolarHBondContact OD1-NH1 3.35Å; D196-R275 IonicContact OD1-NH2 2.87Å; D196-R275 PolarHBondContact OD1-NH2 3.37Å; D196-R275 IonicContact OD2-CZ 3.55Å; D196-R275 IonicContact OD2-NH1 3.99Å; D196-R275 IonicContact OD2-NH2 3.35Å; D196-R275 PolarHBondContact OD2-NH2 3.39Å
197	V	51.9	Low	49.5	Very low	80 Å²	80	105.4 Å²	105.4	49%	0.485	54%	0.539	S	S	.	.	H	α-helix	trans	-67.5	-38.7	173.6	-176.7	0	0	0	0	111.3	Q193 S199 Q200 I201	Q193-V197 PolarHBondContact O-N 3.1Å; Q193-V197 VanDerWaalsContact O-N 3.14Å; V197-S199 VanDerWaalsContact C-N 3.34Å; V197-S199 PolarHBondContact O-N 3.08Å; V197-Q200 PolarHBondContact O-N 2.98Å; V197-I201 HydrophobicContact CG1-CD1 4.15Å; V197-I201 VanDerWaalsContact O-CG1 3.25Å; V197-I201 WeakPolarHBondContact O-CG1 3.49Å; V197-I201 PolarHBondContact O-N 3.3Å
198	R	51.4	Low	48.8	Very low	190 Å²	190	108.7 Å²	108.7	72%	0.717	55%	0.553	S	S	*	*	H	α-helix	trans	-69.7	-29.4	176.8	-157.9	175	-176.6	174.9	1.5	112.7	L194 R202	L194-R198 WeakPolarHBondContact O-CB 3.44Å; L194-R198 PolarHBondContact O-N 3.42Å; R198-R202 PolarHBondContact O-N 2.86Å
199	S	47.9	Very low	47.9	Very low	54 Å²	54	107.6 Å²	107.6	38%	0.378	55%	0.554	S	S	.	*	H	α-helix	trans	-80.2	-30.4	171.4	57.1	0	0	0	0	112.4	N195 D196 V197 R202 F203	N195-S199 WeakPolarHBondContact O-CB 3.43Å; N195-S199 PolarHBondContact O-N 2.86Å; N195-S199 PolarHBondContact O-OG 3.4Å; D196-S199 WeakPolarHBondContact CA-OG 3.47Å; D196-S199 PolarHBondContact O-N 3.17Å; D196-S199 PolarHBondContact O-OG 2.84Å; V197-S199 VanDerWaalsContact C-N 3.34Å; V197-S199 PolarHBondContact O-N 3.08Å; S199-R202 CarbonylContact O-C 3.56Å; S199-R202 WeakPolarHBondContact O-CA 3.46Å; S199-R202 WeakPolarHBondContact O-CB 3.38Å; S199-R202 PolarHBondContact O-N 2.77Å; S199-R202 VanDerWaalsContact O-N 3.13Å; S199-F203 PolarHBondContact O-N 2.83Å
200	Q	49.1	Very low	47.2	Very low	105 Å²	105	108.6 Å²	108.6	49%	0.491	56%	0.561	S	S	.	*	H	α-helix	trans	-67.6	-42.7	173.8	-156	162.3	15.5	0	0	111.4	D196 V197 R202 F203 E204	D196-Q200 VanDerWaalsContact O-CB 3.22Å; D196-Q200 WeakPolarHBondContact O-CB 3.49Å; D196-Q200 PolarHBondContact O-N 2.83Å; V197-Q200 PolarHBondContact O-N 2.98Å; Q200-R202 PolarHBondContact O-N 3.19Å; Q200-F203 PolarHBondContact O-N 3.12Å; Q200-E204 WeakPolarHBondContact O-CG 3.37Å; Q200-E204 PolarHBondContact O-N 3.49Å
201	I	55	Low	46.5	Very low	106 Å²	106	113.5 Å²	113.5	54%	0.544	58%	0.584	S	S	.	*	H	α-helix	trans	-60.1	-33.3	169.3	-64.4	164.2	0	0	0	111.1	V197 R205	V197-I201 HydrophobicContact CG1-CD1 4.15Å; V197-I201 VanDerWaalsContact O-CG1 3.25Å; V197-I201 WeakPolarHBondContact O-CG1 3.49Å; V197-I201 PolarHBondContact O-N 3.3Å; I201-R205 PolarHBondContact O-N 3.48Å
202	R	50.4	Low	46.3	Very low	194 Å²	194	113.3 Å²	113.3	73%	0.732	59%	0.592	S	S	*	*	H	α-helix	trans	-75	-34.1	178	-140.8	-176.3	-159.7	-166.3	5.4	112.7	R198 S199 Q200 M206	R198-R202 PolarHBondContact O-N 2.86Å; S199-R202 CarbonylContact O-C 3.56Å; S199-R202 WeakPolarHBondContact O-CA 3.46Å; S199-R202 WeakPolarHBondContact O-CB 3.38Å; S199-R202 PolarHBondContact O-N 2.77Å; S199-R202 VanDerWaalsContact O-N 3.13Å; Q200-R202 PolarHBondContact O-N 3.19Å; R202-M206 PolarHBondContact O-N 3.24Å
203	F	48.4	Very low	46	Very low	140 Å²	140	118 Å²	118	61%	0.614	61%	0.605	S	S	*	*	H	α-helix	trans	-72.1	-39.3	175.2	-138.4	-84.5	0	0	0	110.9	S199 Q200 R205 M206 V207	S199-F203 PolarHBondContact O-N 2.83Å; Q200-F203 PolarHBondContact O-N 3.12Å; F203-R205 VanDerWaalsContact C-N 3.27Å; F203-R205 PolarHBondContact O-N 3.11Å; F203-M206 PolarHBondContact O-N 3.21Å; F203-M206 VanDerWaalsContact O-N 3.1Å; F203-V207 HydrophobicContact CD1-CG2 3.67Å; F203-V207 HydrophobicContact CE1-CG2 3.84Å; F203-V207 WeakPolarHBondContact O-CG2 3.41Å; F203-V207 PolarHBondContact O-N 2.99Å
204	E	47.2	Very low	46	Very low	97 Å²	97	119.2 Å²	119.2	45%	0.453	62%	0.621	S	S	.	*	H	α-helix	trans	-57.4	-38.9	173.7	-76.1	-173.1	172.6	0	0	112.1	Q200 M206 V207 L208	Q200-E204 WeakPolarHBondContact O-CG 3.37Å; Q200-E204 PolarHBondContact O-N 3.49Å; E204-M206 VanDerWaalsContact C-N 3.34Å; E204-M206 PolarHBondContact O-N 3.39Å; E204-V207 PolarHBondContact O-N 3.39Å; E204-L208 VanDerWaalsContact O-CB 3.31Å; E204-L208 WeakPolarHBondContact O-CB 3.39Å; E204-L208 WeakPolarHBondContact O-CG 3.39Å; E204-L208 PolarHBondContact O-N 3.14Å
205	R	50.3	Low	45.2	Very low	217 Å²	217	121 Å²	121	82%	0.819	63%	0.631	S	S	*	*	H	α-helix	trans	-71.6	-24.6	177.6	-163.5	174.8	-167.8	151.5	4	114.2	I201 F203	I201-R205 PolarHBondContact O-N 3.48Å; F203-R205 VanDerWaalsContact C-N 3.27Å; F203-R205 PolarHBondContact O-N 3.11Å
206	M	48.4	Very low	44.6	Very low	144 Å²	144	122.6 Å²	122.6	71%	0.709	64%	0.644	S	S	*	*	H	α-helix	trans	-85.7	-28.5	174.3	-81.1	-171.1	-73.2	0	0	112.6	R202 F203 E204	R202-M206 PolarHBondContact O-N 3.24Å; F203-M206 PolarHBondContact O-N 3.21Å; F203-M206 VanDerWaalsContact O-N 3.1Å; E204-M206 VanDerWaalsContact C-N 3.34Å; E204-M206 PolarHBondContact O-N 3.39Å
207	V	49.6	Very low	44	Very low	98 Å²	98	126.3 Å²	126.3	59%	0.594	67%	0.673	S	S	*	*	H	α-helix	trans	-87.4	-28.5	-178.6	171.3	0	0	0	0	112.3	F203 E204 G209	F203-V207 HydrophobicContact CD1-CG2 3.67Å; F203-V207 HydrophobicContact CE1-CG2 3.84Å; F203-V207 WeakPolarHBondContact O-CG2 3.41Å; F203-V207 PolarHBondContact O-N 2.99Å; E204-V207 PolarHBondContact O-N 3.39Å; V207-G209 PolarHBondContact O-N 3.09Å
208	L	45.4	Very low	43.2	Very low	136 Å²	136	128 Å²	128	71%	0.712	69%	0.688	S	S	*	*	S	Bend	trans	-102.2	73	-177.1	-58.2	176.9	0	0	0	112.1	E204	E204-L208 VanDerWaalsContact O-CB 3.31Å; E204-L208 WeakPolarHBondContact O-CB 3.39Å; E204-L208 WeakPolarHBondContact O-CG 3.39Å; E204-L208 PolarHBondContact O-N 3.14Å
209	G	36	Very low	42.5	Very low	57 Å²	57	126.9 Å²	126.9	59%	0.588	70%	0.696	S	S	*	*			trans	88	121.1	155	0	0	0	0	0	116	V207	V207-G209 PolarHBondContact O-N 3.09Å
210	S	37	Very low	41.9	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	71%	0.713	S	S	*	*			cis	48.7	117.9	20.9	-144.2	0	0	0	0	116.1
211	D	36.7	Very low	41.4	Very low	134 Å²	134	133.6 Å²	133.6	72%	0.717	73%	0.731	S	S	*	*			trans	71	94.6	161.5	-59.2	-27.3	0	0	0	118.8
212	S	40.6	Very low	40.4	Very low	119 Å²	119	135.3 Å²	135.3	83%	0.832	74%	0.741	S	S	*	*			trans	-141.6	106.1	136.4	-47.8	0	0	0	0	107.8	T214	S212-T214 PolarHBondContact O-N 3.25Å
213	D	35.9	Very low	40	Very low	146 Å²	146	130.6 Å²	130.6	78%	0.781	74%	0.736	S	S	*	*			trans	-52.2	124.8	171.5	-61.9	-64.6	0	0	0	111.8
214	T	44.6	Very low	39.4	Very low	141 Å²	141	130.1 Å²	130.1	87%	0.865	75%	0.745	S	S	*	*			trans	-135.1	103.9	150	53.1	0	0	0	0	108.8	S212	S212-T214 PolarHBondContact O-N 3.25Å
215	D	32.5	Very low	38.5	Very low	147 Å²	147	128.8 Å²	128.8	79%	0.786	76%	0.757	S	S	*	*			trans	-60.5	162.3	169.2	-88.1	-47.1	0	0	0	113.7
216	V	34	Very low	37.9	Very low	133 Å²	133	124.5 Å²	124.5	81%	0.806	76%	0.76	S	S	*	*			trans	89.4	113.4	155.4	-53.6	0	0	0	0	121.9
217	S	32.2	Very low	37	Very low	109 Å²	109	122.5 Å²	122.5	76%	0.762	77%	0.767	S	S	*	*			trans	93.9	90.7	135.9	-62.4	0	0	0	0	119.7
218	S	33.8	Very low	36.5	Very low	116 Å²	116	126.1 Å²	126.1	81%	0.811	78%	0.782	S	S	*	*				23.7	114.9	116.8	-47.5	0	0	0	0	117.8
219	D	36.6	Very low	35.8	Very low	166 Å²	166	127.6 Å²	127.6	89%	0.888	79%	0.79	S	S	*	*				-151.1	139.8	121.6	-130	-28.4	0	0	0	111.6
220	D	36.4	Very low	35.7	Very low	138 Å²	138	130.2 Å²	130.2	74%	0.738	80%	0.795	S	S	*	*			trans	-68.3	139.6	-175.2	-89.2	-69.2	0	0	0	113
221	N	39	Very low	35.6	Very low	162 Å²	162	130.7 Å²	130.7	87%	0.866	80%	0.795	S	S	*	*				-173.8	107	125.9	-100	-30.7	0	0	0	112.9
222	N	33.3	Very low	35.3	Very low	141 Å²	141	133 Å²	133	75%	0.754	80%	0.802	S	S	*	*			trans	-57.5	175.2	147.4	-157.8	31.9	0	0	0	109.8
223	P	41.8	Very low	35.2	Very low	95 Å²	95	134.9 Å²	134.9	62%	0.617	80%	0.802	S	S	*	*			cis	-130.1	174.6	3.5	32.7	-8.7	0	0	0	113.2
224	T	36.2	Very low	35.1	Very low	131 Å²	131	138.9 Å²	138.9	80%	0.804	81%	0.806	S	S	*	*				177.2	134	60	-25.8	0	0	0	0	109
225	G	28.9	Very low	34.7	Very low	69 Å²	69	138.8 Å²	138.8	71%	0.711	81%	0.805	S	S	*	*			trans	32.5	113.9	148.5	0	0	0	0	0	122.2
226	S	36.7	Very low	34.8	Very low	126 Å²	126	138.8 Å²	138.8	88%	0.881	80%	0.804	S	S	*	*				-176.7	124.3	102.8	-81.7	0	0	0	0	110.7	L228	S226-L228 PolarHBondContact O-N 3.35Å
227	A	30.4	Very low	35	Very low	102 Å²	102	138.3 Å²	138.3	84%	0.843	80%	0.804	S	S	*	*			trans	-63	117.2	175.7	0	0	0	0	0	111.4
228	L	38.6	Very low	35.4	Very low	175 Å²	175	139.2 Å²	139.2	92%	0.916	80%	0.8	S	S	*	*			trans	-145.9	131.9	145.4	-90.7	172.6	0	0	0	108.8	S226 V230	S226-L228 PolarHBondContact O-N 3.35Å; L228-V230 PolarHBondContact O-N 3.28Å
229	N	30.5	Very low	35.8	Very low	166 Å²	166	136.9 Å²	136.9	89%	0.888	78%	0.783	S	S	*	*			trans	-87.3	93.5	-159.2	-164.2	25.3	0	0	0	110
230	V	34.4	Very low	36.4	Very low	113 Å²	113	134.5 Å²	134.5	69%	0.685	78%	0.777	S	S	*	*			trans	-149.3	132.2	167.1	-172.5	0	0	0	0	106.8	L228 Q232	L228-V230 PolarHBondContact O-N 3.28Å; V230-Q232 VanDerWaalsContact C-N 3.3Å; V230-Q232 PolarHBondContact O-N 2.89Å
231	P	34.4	Very low	37.1	Very low	116 Å²	116	136 Å²	136	75%	0.753	78%	0.779	S	S	*	*			trans	-65.7	93.5	-178.2	26.9	-32.5	0	0	0	109	L233	P231-L233 VanDerWaalsContact C-N 3.29Å; P231-L233 PolarHBondContact O-N 2.88Å
232	Q	31.4	Very low	37.2	Very low	181 Å²	181	133.4 Å²	133.4	85%	0.846	77%	0.765	S	S	*	*			trans	-60.8	100.8	163.6	-77.7	-175.9	-51.8	0	0	105.9	V230 R234	V230-Q232 VanDerWaalsContact C-N 3.3Å; V230-Q232 PolarHBondContact O-N 2.89Å; Q232-R234 PolarHBondContact O-N 3.37Å
233	L	37.3	Very low	37.8	Very low	159 Å²	159	128.7 Å²	128.7	83%	0.832	75%	0.746	S	S	*	*			trans	-47.5	110.4	161.3	-85.6	102.5	0	0	0	106.4	P231 T235	P231-L233 VanDerWaalsContact C-N 3.29Å; P231-L233 PolarHBondContact O-N 2.88Å; L233-T235 VanDerWaalsContact C-N 3.29Å; L233-T235 PolarHBondContact O-N 2.72Å
234	R	35.1	Very low	38.2	Very low	231 Å²	231	126.7 Å²	126.7	87%	0.872	74%	0.737	S	S	*	*			trans	-54.1	101.4	168.9	-71.9	-176.9	166.9	167.3	-4.7	106.6	Q232 L236	Q232-R234 PolarHBondContact O-N 3.37Å; R234-L236 PolarHBondContact O-N 3.01Å
235	T	34.7	Very low	38.6	Very low	138 Å²	138	123.1 Å²	123.1	85%	0.847	72%	0.721	S	S	*	*			trans	-57.5	89.2	163	42.8	0	0	0	0	106.6	L233	L233-T235 VanDerWaalsContact C-N 3.29Å; L233-T235 PolarHBondContact O-N 2.72Å
236	L	34.8	Very low	39.7	Very low	147 Å²	147	126.9 Å²	126.9	77%	0.77	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-65.8	139.5	164.1	-83	140	0	0	0	107.8	R234 L238	R234-L236 PolarHBondContact O-N 3.01Å; L236-L238 PolarHBondContact O-N 2.86Å
237	P	38.5	Very low	40.3	Very low	123 Å²	123	127.2 Å²	127.2	80%	0.799	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-66.8	118.2	-164.9	27.4	-33.2	0	0	0	110
238	L	41.4	Very low	41.4	Very low	129 Å²	129	130.1 Å²	130.1	68%	0.675	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-67.7	140.2	165.9	-69.8	161.5	0	0	0	107.9	L236	L236-L238 PolarHBondContact O-N 2.86Å
239	S	42	Very low	41.6	Very low	66 Å²	66	129.5 Å²	129.5	46%	0.462	70%	0.702	S	S	.	*	P	Polyproline II helix	trans	-54.8	141.3	170.3	49.2	0	0	0	0	109.9	E241 L242 A243	S239-E241 PolarHBondContact O-N 3.48Å; S239-L242 PolarHBondContact O-N 3.38Å; S239-A243 PolarHBondContact O-N 3.17Å
240	P	49.7	Very low	42.3	Very low	116 Å²	116	128.6 Å²	128.6	75%	0.753	70%	0.695	S	S	*	*	H	α-helix	trans	-58.7	-27.2	-170.4	20.6	-32.1	0	0	0	113.4	A244	P240-A244 WeakPolarHBondContact O-CB 3.46Å; P240-A244 PolarHBondContact O-N 2.85Å; P240-A244 VanDerWaalsContact O-N 3.13Å
241	E	50.6	Low	42.2	Very low	169 Å²	169	126.2 Å²	126.2	79%	0.79	69%	0.693	S	S	*	*	H	α-helix	trans	-69.5	-37.1	179.4	-160.1	176.6	164.5	0	0	113	S239 A245	S239-E241 PolarHBondContact O-N 3.48Å; E241-A245 PolarHBondContact O-N 3.41Å
242	L	40.8	Very low	42.3	Very low	108 Å²	108	131 Å²	131	57%	0.565	70%	0.696	S	S	*	*	H	α-helix	trans	-80.6	-31.6	177.6	-88.8	166.3	0	0	0	112.7	S239 A245 F246	S239-L242 PolarHBondContact O-N 3.38Å; L242-A245 PolarHBondContact O-N 3.21Å; L242-F246 PolarHBondContact O-N 3.41Å
243	A	45.7	Very low	42.3	Very low	43 Å²	43	133.2 Å²	133.2	36%	0.355	70%	0.696	S	S	.	*	H	α-helix	trans	-65	-43.1	173.5	0	0	0	0	0	111.5	S239 A245 F246 D247	S239-A243 PolarHBondContact O-N 3.17Å; A243-A245 PolarHBondContact O-N 3.39Å; A243-F246 PolarHBondContact O-N 3.37Å; A243-D247 PolarHBondContact O-N 3.16Å
244	A	49.6	Very low	41.9	Very low	53 Å²	53	137.6 Å²	137.6	44%	0.438	70%	0.702	S	S	.	*	H	α-helix	trans	-63.8	-40.1	175.3	0	0	0	0	0	112.3	P240 F246 D247 M248	P240-A244 WeakPolarHBondContact O-CB 3.46Å; P240-A244 PolarHBondContact O-N 2.85Å; P240-A244 VanDerWaalsContact O-N 3.13Å; A244-F246 VanDerWaalsContact C-N 3.31Å; A244-F246 PolarHBondContact O-N 2.87Å; A244-D247 PolarHBondContact O-N 2.9Å; A244-M248 WeakPolarHBondContact O-CB 3.33Å; A244-M248 WeakPolarHBondContact O-CG 3.24Å; A244-M248 PolarHBondContact O-N 3.18Å
245	A	46	Very low	41.7	Very low	55 Å²	55	133.2 Å²	133.2	46%	0.455	70%	0.7	S	S	.	*	H	α-helix	trans	-64.1	-35	175.9	0	0	0	0	0	112.6	E241 L242 A243 M249	E241-A245 PolarHBondContact O-N 3.41Å; L242-A245 PolarHBondContact O-N 3.21Å; A243-A245 PolarHBondContact O-N 3.39Å; A245-M249 WeakPolarHBondContact O-CB 3.47Å; A245-M249 PolarHBondContact O-N 2.89Å; A245-M249 VanDerWaalsContact O-N 3.14Å
246	F	51.2	Low	41.6	Very low	149 Å²	149	132 Å²	132	65%	0.654	70%	0.695	S	S	*	*	H	α-helix	trans	-74.1	-37.5	176.9	-129.9	-88.5	0	0	0	112.7	L242 A243 A244 M249 M250	L242-F246 PolarHBondContact O-N 3.41Å; A243-F246 PolarHBondContact O-N 3.37Å; A244-F246 VanDerWaalsContact C-N 3.31Å; A244-F246 PolarHBondContact O-N 2.87Å; F246-M249 PolarHBondContact O-N 3.29Å; F246-M250 PolarHBondContact O-N 3.46Å
247	D	49.2	Very low	41.4	Very low	132 Å²	132	130.5 Å²	130.5	71%	0.706	70%	0.697	S	S	*	*	H	α-helix	trans	-69.6	-38.5	177.1	-133.2	-31.3	0	0	0	111.5	A243 A244 M249 M250 G251	A243-D247 PolarHBondContact O-N 3.16Å; A244-D247 PolarHBondContact O-N 2.9Å; D247-M249 VanDerWaalsContact C-N 3.35Å; D247-M249 PolarHBondContact O-N 2.81Å; D247-M250 PolarHBondContact O-N 3.11Å; D247-G251 PolarHBondContact O-N 3.35Å
248	M	53	Low	40.9	Very low	163 Å²	163	133.4 Å²	133.4	80%	0.803	70%	0.7	S	S	*	*	H	α-helix	trans	-67	-34.2	173.9	-73.9	-175.3	72.9	0	0	112.8	A244	A244-M248 WeakPolarHBondContact O-CB 3.33Å; A244-M248 WeakPolarHBondContact O-CG 3.24Å; A244-M248 PolarHBondContact O-N 3.18Å
249	M	43.5	Very low	40.3	Very low	163 Å²	163	132.3 Å²	132.3	80%	0.803	70%	0.703	S	S	*	*	H	α-helix	trans	-75	-25.8	179	-161.2	177.1	-152.6	0	0	112.7	A245 F246 D247	A245-M249 WeakPolarHBondContact O-CB 3.47Å; A245-M249 PolarHBondContact O-N 2.89Å; A245-M249 VanDerWaalsContact O-N 3.14Å; F246-M249 PolarHBondContact O-N 3.29Å; D247-M249 VanDerWaalsContact C-N 3.35Å; D247-M249 PolarHBondContact O-N 2.81Å
250	M	44.9	Very low	39.7	Very low	147 Å²	147	135 Å²	135	72%	0.724	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	17	-179.8	-70.1	-69	-79	0	0	113.8	F246 D247 R252	F246-M250 PolarHBondContact O-N 3.46Å; D247-M250 PolarHBondContact O-N 3.11Å; M250-R252 VanDerWaalsContact C-N 3.32Å; M250-R252 PolarHBondContact O-N 3.38Å
251	G	32.7	Very low	38.5	Very low	63 Å²	63	132.5 Å²	132.5	65%	0.649	72%	0.717	S	S	*	*			trans	-64	78.1	173.4	0	0	0	0	0	114.2	D247	D247-G251 PolarHBondContact O-N 3.35Å
252	R	36.7	Very low	37.5	Very low	217 Å²	217	134.1 Å²	134.1	82%	0.819	72%	0.724	S	S	*	*			trans	-154.3	103	154.5	-116.9	175.7	-178.5	-126.2	2.9	113.3	M250	M250-R252 VanDerWaalsContact C-N 3.32Å; M250-R252 PolarHBondContact O-N 3.38Å
253	R	31.2	Very low	37	Very low	226 Å²	226	138.4 Å²	138.4	85%	0.853	74%	0.742	S	S	*	*			trans	44	104.6	139.8	-65.5	-179	176.9	-171.2	-1.8	117.5
254	R	28.9	Very low	36.1	Very low	252 Å²	252	140.2 Å²	140.2	95%	0.951	76%	0.757	S	S	*	*			trans	-128.5	111.3	147	-91.1	-174.4	177.8	177	-0.6	110.5
255	V	31.7	Very low	35.1	Very low	138 Å²	138	145.6 Å²	145.6	84%	0.836	78%	0.778	S	S	*	*			trans	-83.5	137	163.7	-144.2	0	0	0	0	106.6
256	P	31	Very low	34.8	Very low	113 Å²	113	147.7 Å²	147.7	73%	0.734	79%	0.787	S	S	*	*			trans	-90.3	136.4	-170.6	33.6	-32.2	0	0	0	112.3
257	S	31	Very low	33.9	Very low	115 Å²	115	147 Å²	147	80%	0.804	80%	0.795	S	S	*	*			trans	-168.8	99.9	158.8	-72.2	0	0	0	0	106.8
258	Q	27.6	Very low	33.7	Very low	185 Å²	185	145.5 Å²	145.5	86%	0.864	79%	0.792	S	S	*	*				82.3	126.5	95	-84.9	-170.6	16.8	0	0	115.3
259	S	29.5	Very low	32.6	Very low	105 Å²	105	142.4 Å²	142.4	73%	0.734	79%	0.786	S	S	*	*			trans	89.1	122.9	149.9	72.9	0	0	0	0	120.5
260	S	28.8	Very low	31.9	Very low	122 Å²	122	140.7 Å²	140.7	85%	0.853	79%	0.785	S	S	*	*			trans	63.6	113.8	141.8	-48.3	0	0	0	0	116.5
261	G	25	Very low	31.5	Very low	64 Å²	64	138.9 Å²	138.9	66%	0.66	79%	0.787	S	S	*	*				120.3	150.5	61.3	0	0	0	0	0	107
262	E	29.2	Very low	31.5	Very low	204 Å²	204	145.8 Å²	145.8	95%	0.953	80%	0.802	S	S	*	*			trans	77.9	100.6	175.1	-67.8	155	88.8	0	0	117.6
263	Q	29.7	Very low	31.5	Very low	198 Å²	198	140.5 Å²	140.5	93%	0.925	80%	0.799	S	S	*	*			trans	-147	110.2	149.4	-133.7	175	3	0	0	110.8
264	A	27	Very low	31.7	Very low	81 Å²	81	138.7 Å²	138.7	67%	0.669	80%	0.8	S	S	*	*			trans	-98.1	139.4	151.6	0	0	0	0	0	106.9
265	D	30.3	Very low	32.1	Very low	165 Å²	165	135.4 Å²	135.4	88%	0.882	79%	0.787	S	S	*	*				174.5	157.2	127	-93.3	-38.7	0	0	0	113.4
266	P	37.9	Very low	32.7	Very low	99 Å²	99	134 Å²	134	64%	0.643	78%	0.782	S	S	*	*			trans	-128.2	158.6	-170.8	46.1	-30.5	0	0	0	115.9
267	V	32.5	Very low	33.4	Very low	135 Å²	135	136.8 Å²	136.8	82%	0.818	79%	0.789	S	S	*	*			trans	45.1	177.8	149.3	-96.1	0	0	0	0	123.4
268	P	45.3	Very low	34.1	Very low	101 Å²	101	139.7 Å²	139.7	66%	0.656	79%	0.788	S	S	*	*			cis	-140.3	174.4	-40.1	35.2	-16	0	0	0	116.6
269	S	29.2	Very low	35.4	Very low	97 Å²	97	136.2 Å²	136.2	68%	0.678	78%	0.779	S	S	*	*			trans	77.1	141	132.8	54.4	0	0	0	0	126.9
270	T	30.3	Very low	36.7	Very low	127 Å²	127	136.3 Å²	136.3	78%	0.779	78%	0.776	S	S	*	*			trans	107	115.1	134.6	28.8	0	0	0	0	123.4
271	S	35.8	Very low	37.9	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	77%	0.771	S	S	*	*			trans	66.4	123	137.2	49.1	0	0	0	0	123.3
272	E	32.9	Very low	39.3	Very low	208 Å²	208	142.1 Å²	142.1	97%	0.972	77%	0.774	S	S	*	*			trans	-162.6	153.6	148.4	-115.4	177.9	174.4	0	0	114.6
273	S	35.8	Very low	40.8	Very low	106 Å²	106	137.2 Å²	137.2	74%	0.741	75%	0.753	S	S	*	*			trans	-113.2	149.6	-164.1	-103.9	0	0	0	0	113.9
274	Q	35.4	Very low	42.3	Very low	189 Å²	189	133.4 Å²	133.4	88%	0.883	74%	0.736	S	S	*	*			trans	56.6	108.4	146.9	-60.7	-176.8	-4	0	0	120.4
275	R	37.4	Very low	43.5	Very low	182 Å²	182	136.4 Å²	136.4	69%	0.687	74%	0.736	S	S	*	*			trans	-117.6	147.9	172.3	-77.5	175.6	161.3	-164	-9.3	112.1	D196	D196-R275 VanDerWaalsContact CG-NH2 3.33Å; D196-R275 IonicContact OD1-CZ 3.63Å; D196-R275 VanDerWaalsContact OD1-CZ 3.26Å; D196-R275 IonicContact OD1-NH1 3.7Å; D196-R275 PolarHBondContact OD1-NH1 3.35Å; D196-R275 IonicContact OD1-NH2 2.87Å; D196-R275 PolarHBondContact OD1-NH2 3.37Å; D196-R275 IonicContact OD2-CZ 3.55Å; D196-R275 IonicContact OD2-NH1 3.99Å; D196-R275 IonicContact OD2-NH2 3.35Å; D196-R275 PolarHBondContact OD2-NH2 3.39Å
276	P	44.3	Very low	44.5	Very low	110 Å²	110	131.2 Å²	131.2	71%	0.714	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-82.2	148.3	-176.6	32.9	-33.3	0	0	0	113.4	F278	P276-F278 PolarHBondContact O-N 2.87Å
277	L	46.2	Very low	45.5	Very low	170 Å²	170	131 Å²	131	89%	0.89	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-67.5	119.6	-174.4	-75	92.1	0	0	0	113.1
278	F	45.7	Very low	46.6	Very low	177 Å²	177	130.2 Å²	130.2	78%	0.776	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-80.3	117.5	161.1	-79	-95.4	0	0	0	109.1	P276	P276-F278 PolarHBondContact O-N 2.87Å
279	T	54.8	Low	46.9	Very low	112 Å²	112	128.6 Å²	128.6	69%	0.687	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-75.3	132.4	-177.1	2.9	0	0	0	0	112	Q281 M282	T279-Q281 PolarHBondContact O-N 2.7Å; T279-M282 PolarHBondContact O-N 3.14Å; T279-M282 VanDerWaalsContact O-N 3.17Å
280	T	57.8	Low	48	Very low	107 Å²	107	133.7 Å²	133.7	66%	0.656	69%	0.691	S	S	*	*	H	α-helix	trans	-45.9	-25.2	-179.2	-47.9	0	0	0	0	115.7	M282 L283 Q284	T280-M282 PolarHBondContact O-N 3.2Å; T280-L283 WeakPolarHBondContact O-CB 3.4Å; T280-L283 PolarHBondContact O-N 3.42Å; T280-Q284 PolarHBondContact O-N 2.77Å
281	Q	52.4	Low	49.8	Very low	161 Å²	161	132.1 Å²	132.1	75%	0.752	68%	0.681	S	S	*	*	H	α-helix	trans	-65.1	-37.5	179.5	-88.8	-176.9	-30.8	0	0	113.9	T279 L283 Q284 Q285	T279-Q281 PolarHBondContact O-N 2.7Å; Q281-L283 VanDerWaalsContact C-N 3.29Å; Q281-L283 PolarHBondContact O-N 3.12Å; Q281-Q284 PolarHBondContact O-N 3Å; Q281-Q285 PolarHBondContact O-N 2.87Å
282	M	54.8	Low	51.4	Low	146 Å²	146	130.2 Å²	130.2	72%	0.719	67%	0.668	S	S	*	*	H	α-helix	trans	-66.6	-34	177.5	-90.9	-170.8	167.1	0	0	111.9	T279 T280 A286	T279-M282 PolarHBondContact O-N 3.14Å; T279-M282 VanDerWaalsContact O-N 3.17Å; T280-M282 PolarHBondContact O-N 3.2Å; M282-A286 PolarHBondContact O-N 2.95Å
283	L	61.3	Low	53.4	Low	101 Å²	101	124.1 Å²	124.1	53%	0.529	64%	0.639	S	S	.	*	H	α-helix	trans	-64.4	-44.5	176.7	-174.2	78	0	0	0	111	T280 Q281 Q285 A286 I287	T280-L283 WeakPolarHBondContact O-CB 3.4Å; T280-L283 PolarHBondContact O-N 3.42Å; Q281-L283 VanDerWaalsContact C-N 3.29Å; Q281-L283 PolarHBondContact O-N 3.12Å; L283-Q285 VanDerWaalsContact C-N 3.3Å; L283-Q285 PolarHBondContact O-N 3.14Å; L283-A286 PolarHBondContact O-N 3.22Å; L283-I287 HydrophobicContact CD2-CD1 4.44Å; L283-I287 HydrophobicContact CG-CD1 4.04Å; L283-I287 WeakPolarHBondContact O-CG1 3.15Å; L283-I287 PolarHBondContact O-N 3.3Å; L283-I287 VanDerWaalsContact O-N 3.1Å
284	Q	61.6	Low	55.4	Low	118 Å²	118	120.8 Å²	120.8	55%	0.551	62%	0.621	S	S	*	*	H	α-helix	trans	-66.4	-34.9	-176.2	-155.9	162.7	21	0	0	112.1	T280 Q281 I287 Q288	T280-Q284 PolarHBondContact O-N 2.77Å; Q281-Q284 PolarHBondContact O-N 3Å; Q284-I287 PolarHBondContact O-N 2.89Å; Q284-Q288 WeakPolarHBondContact O-CG 3.49Å; Q284-Q288 PolarHBondContact O-N 2.97Å
285	Q	51.7	Low	57.6	Low	145 Å²	145	117.5 Å²	117.5	68%	0.678	61%	0.606	S	S	*	*	H	α-helix	trans	-70.5	-32.9	177.4	-141	173.7	2.4	0	0	112.5	Q281 L283 S289	Q281-Q285 PolarHBondContact O-N 2.87Å; L283-Q285 VanDerWaalsContact C-N 3.3Å; L283-Q285 PolarHBondContact O-N 3.14Å; Q285-S289 PolarHBondContact O-N 3.07Å
286	A	52.3	Low	59.8	Low	55 Å²	55	114.9 Å²	114.9	46%	0.455	60%	0.601	S	S	.	*	H	α-helix	trans	-75.7	-28.5	175.6	0	0	0	0	0	113.5	M282 L283 S289 R290	M282-A286 PolarHBondContact O-N 2.95Å; L283-A286 PolarHBondContact O-N 3.22Å; A286-S289 PolarHBondContact O-OG 2.99Å; A286-R290 PolarHBondContact O-N 3.11Å
287	I	57.1	Low	61.8	Low	95 Å²	95	111.6 Å²	111.6	49%	0.487	58%	0.577	S	S	.	*	H	α-helix	trans	-70.7	-43.9	175	-67.5	166.8	0	0	0	110.2	L283 Q284 S289 R290 T291	L283-I287 HydrophobicContact CD2-CD1 4.44Å; L283-I287 HydrophobicContact CG-CD1 4.04Å; L283-I287 WeakPolarHBondContact O-CG1 3.15Å; L283-I287 PolarHBondContact O-N 3.3Å; L283-I287 VanDerWaalsContact O-N 3.1Å; Q284-I287 PolarHBondContact O-N 2.89Å; I287-S289 VanDerWaalsContact C-N 3.3Å; I287-S289 PolarHBondContact O-N 3.17Å; I287-R290 PolarHBondContact O-N 3Å; I287-T291 PolarHBondContact O-N 3.37Å; I287-T291 VanDerWaalsContact O-N 3.16Å; I287-T291 PolarHBondContact O-OG1 3.01Å
288	Q	56.9	Low	63.6	Low	118 Å²	118	109 Å²	109	55%	0.551	56%	0.561	S	S	*	*	H	α-helix	trans	-62.2	-36.7	-179.7	-71.7	177.5	3	0	0	112.6	Q284 T291 S292	Q284-Q288 WeakPolarHBondContact O-CG 3.49Å; Q284-Q288 PolarHBondContact O-N 2.97Å; Q288-T291 WeakPolarHBondContact CA-OG1 3.28Å; Q288-T291 PolarHBondContact O-N 3.22Å; Q288-T291 PolarHBondContact O-OG1 3.44Å; Q288-S292 PolarHBondContact O-N 3.41Å; Q288-S292 VanDerWaalsContact O-N 3.09Å; Q288-S292 PolarHBondContact O-OG 3.49Å
289	S	52.2	Low	65.6	Low	68 Å²	68	105.1 Å²	105.1	48%	0.476	55%	0.545	S	S	.	.	H	α-helix	trans	-70.6	-29.4	178.2	64.1	0	0	0	0	113.5	Q285 A286 I287 S292 F293	Q285-S289 PolarHBondContact O-N 3.07Å; A286-S289 PolarHBondContact O-OG 2.99Å; I287-S289 VanDerWaalsContact C-N 3.3Å; I287-S289 PolarHBondContact O-N 3.17Å; S289-S292 WeakPolarHBondContact CA-OG 3.38Å; S289-S292 PolarHBondContact O-OG 3.42Å; S289-F293 WeakPolarHBondContact O-CB 3.42Å; S289-F293 PolarHBondContact O-N 2.79Å
290	R	52.1	Low	67	Low	203 Å²	203	100.4 Å²	100.4	77%	0.766	52%	0.517	S	S	*	.	H	α-helix	trans	-72.1	-38	172.5	-82.7	-171.2	171.6	-167.9	-0.1	112.3	A286 I287 G294	A286-R290 PolarHBondContact O-N 3.11Å; I287-R290 PolarHBondContact O-N 3Å; R290-G294 PolarHBondContact O-N 2.79Å; R290-G294 VanDerWaalsContact O-N 3.14Å
291	T	67.1	Low	68.3	Low	94 Å²	94	95.6 Å²	95.6	58%	0.577	49%	0.487	S	S	*	.	H	α-helix	trans	-67.5	-39	177.3	52.1	0	0	0	0	112.4	I287 Q288 G294 H295	I287-T291 PolarHBondContact O-N 3.37Å; I287-T291 VanDerWaalsContact O-N 3.16Å; I287-T291 PolarHBondContact O-OG1 3.01Å; Q288-T291 WeakPolarHBondContact CA-OG1 3.28Å; Q288-T291 PolarHBondContact O-N 3.22Å; Q288-T291 PolarHBondContact O-OG1 3.44Å; T291-G294 PolarHBondContact O-N 3.05Å; T291-H295 PolarHBondContact O-N 3.27Å
292	S	69.5	Low	70	Confident	69 Å²	69	93.2 Å²	93.2	48%	0.483	48%	0.476	S	S	.	.	H	α-helix	trans	-67.5	-40.8	177.3	55.8	0	0	0	0	112	Q288 S289 G294 H295 E296	Q288-S292 PolarHBondContact O-N 3.41Å; Q288-S292 VanDerWaalsContact O-N 3.09Å; Q288-S292 PolarHBondContact O-OG 3.49Å; S289-S292 WeakPolarHBondContact CA-OG 3.38Å; S289-S292 PolarHBondContact O-OG 3.42Å; S292-G294 PolarHBondContact O-N 2.95Å; S292-H295 PolarHBondContact O-N 3.22Å; S292-H295 VanDerWaalsContact O-N 3.16Å; S292-E296 PolarHBondContact O-N 2.93Å
293	F	76	Confident	71.6	Confident	80 Å²	80	92.9 Å²	92.9	35%	0.351	47%	0.467	S	S	.	.	H	α-helix	trans	-62	-41.9	177.1	178.5	-98.1	0	0	0	112.4	S289 H295 E296 L297 Y324	S289-F293 WeakPolarHBondContact O-CB 3.42Å; S289-F293 PolarHBondContact O-N 2.79Å; F293-H295 VanDerWaalsContact C-N 3.27Å; F293-H295 PolarHBondContact O-N 3.12Å; F293-E296 PolarHBondContact O-N 2.57Å; F293-L297 WeakPolarHBondContact O-CB 3.04Å; F293-L297 PolarHBondContact O-N 2.96Å; F293-Y324 HydrophobicContact CE1-CE1 4.47Å; F293-Y324 AromaticContact CE2-CD1 3.97Å; F293-Y324 HydrophobicContact CE2-CD1 3.97Å; F293-Y324 AromaticContact CE2-CD2 3.82Å; F293-Y324 HydrophobicContact CE2-CD2 3.82Å; F293-Y324 HydrophobicContact CE2-CE1 4.11Å; F293-Y324 AromaticContact CE2-CE2 3.94Å; F293-Y324 HydrophobicContact CE2-CE2 3.94Å; F293-Y324 AromaticContact CE2-CG 3.82Å; F293-Y324 HydrophobicContact CE2-CG 3.82Å; F293-Y324 AromaticContact CZ-CD1 3.75Å; F293-Y324 HydrophobicContact CZ-CD1 3.75Å; F293-Y324 HydrophobicContact CZ-CD2 4.05Å; F293-Y324 AromaticContact CZ-CE1 3.46Å; F293-Y324 HydrophobicContact CZ-CE1 3.46Å; F293-Y324 VanDerWaalsContact CZ-CE1 3.46Å; F293-Y324 AromaticContact CZ-CE2 3.77Å; F293-Y324 HydrophobicContact CZ-CE2 3.77Å; F293-Y324 HydrophobicContact CZ-CG 4.04Å; F293-Y324 AromaticContact CZ-CZ 3.45Å; F293-Y324 VanDerWaalsContact CZ-CZ 3.45Å
294	G	77.9	Confident	72.8	Confident	37 Å²	37	88.1 Å²	88.1	38%	0.381	44%	0.442	S	S	.	.	H	α-helix	trans	-60.6	-37.2	174.4	0	0	0	0	0	112.8	R290 T291 S292 Q298	R290-G294 PolarHBondContact O-N 2.79Å; R290-G294 VanDerWaalsContact O-N 3.14Å; T291-G294 PolarHBondContact O-N 3.05Å; S292-G294 PolarHBondContact O-N 2.95Å; G294-Q298 WeakPolarHBondContact O-CB 3.38Å; G294-Q298 PolarHBondContact O-N 2.85Å
295	H	80.8	Confident	74	Confident	120 Å²	120	86 Å²	86	56%	0.556	43%	0.432	S	S	*	.	H	α-helix	trans	-72.4	-38	179.4	-152.7	-71.7	0	0	0	112.7	T291 S292 F293 Q298 Q299	T291-H295 PolarHBondContact O-N 3.27Å; S292-H295 PolarHBondContact O-N 3.22Å; S292-H295 VanDerWaalsContact O-N 3.16Å; F293-H295 VanDerWaalsContact C-N 3.27Å; F293-H295 PolarHBondContact O-N 3.12Å; H295-Q298 PolarHBondContact O-N 2.79Å; H295-Q299 PolarHBondContact CE1-NE2 3.47Å; H295-Q299 VanDerWaalsContact CE1-NE2 3.35Å; H295-Q299 PolarHBondContact ND1-NE2 2.75Å; H295-Q299 VanDerWaalsContact ND1-NE2 3.18Å; H295-Q299 WeakPolarHBondContact O-CG 3.44Å; H295-Q299 PolarHBondContact O-N 3.25Å
296	E	84.3	Confident	75.7	Confident	126 Å²	126	86.7 Å²	86.7	59%	0.589	44%	0.435	S	S	*	.	H	α-helix	trans	-68.5	-40.7	175.7	-170.8	174.2	-171.2	0	0	111.6	S292 F293 Q299 S300	S292-E296 PolarHBondContact O-N 2.93Å; F293-E296 PolarHBondContact O-N 2.57Å; E296-Q299 PolarHBondContact O-N 2.84Å; E296-S300 PolarHBondContact O-N 3.32Å; E296-S300 PolarHBondContact O-OG 3.12Å
297	L	85	Confident	77.2	Confident	41 Å²	41	88.4 Å²	88.4	22%	0.215	43%	0.434	C	S	.	.	H	α-helix	trans	-62.2	-43.7	172.4	-177.1	63.8	0	0	0	111.4	F293 Q299 S300 L301 L319 Y324	F293-L297 WeakPolarHBondContact O-CB 3.04Å; F293-L297 PolarHBondContact O-N 2.96Å; L297-Q299 PolarHBondContact O-N 3.3Å; L297-S300 WeakPolarHBondContact CA-OG 3.23Å; L297-S300 PolarHBondContact O-N 2.82Å; L297-S300 PolarHBondContact O-OG 3.41Å; L297-L301 HydrophobicContact CG-CD1 4.43Å; L297-L301 WeakPolarHBondContact O-CG 3.15Å; L297-L301 PolarHBondContact O-N 3.5Å; L297-L319 HydrophobicContact CD1-CD1 3.8Å; L297-Y324 HydrophobicContact CD1-CD1 4.32Å; L297-Y324 HydrophobicContact CD1-CE1 4.48Å
298	Q	85.1	Confident	78.4	Confident	117 Å²	117	85.8 Å²	85.8	55%	0.547	43%	0.431	S	S	.	.	H	α-helix	trans	-64	-41.2	178.4	-169.4	63.5	28.5	0	0	112	G294 H295 L301 E302	G294-Q298 WeakPolarHBondContact O-CB 3.38Å; G294-Q298 PolarHBondContact O-N 2.85Å; H295-Q298 PolarHBondContact O-N 2.79Å; Q298-L301 PolarHBondContact O-N 2.88Å; Q298-E302 WeakPolarHBondContact O-CB 3.22Å; Q298-E302 PolarHBondContact O-N 3.27Å
299	Q	87.2	Confident	79.8	Confident	94 Å²	94	81.2 Å²	81.2	44%	0.439	41%	0.409	S	S	.	.	H	α-helix	trans	-64.5	-38.6	176.4	-76.9	177.5	1.9	0	0	112.8	H295 E296 L297 E302 R303	H295-Q299 PolarHBondContact CE1-NE2 3.47Å; H295-Q299 VanDerWaalsContact CE1-NE2 3.35Å; H295-Q299 PolarHBondContact ND1-NE2 2.75Å; H295-Q299 VanDerWaalsContact ND1-NE2 3.18Å; H295-Q299 WeakPolarHBondContact O-CG 3.44Å; H295-Q299 PolarHBondContact O-N 3.25Å; E296-Q299 PolarHBondContact O-N 2.84Å; L297-Q299 PolarHBondContact O-N 3.3Å; Q299-E302 PolarHBondContact O-N 3.03Å; Q299-R303 WeakPolarHBondContact O-CG 3.3Å; Q299-R303 PolarHBondContact O-N 3.43Å
300	S	83.9	Confident	81.3	Confident	14 Å²	14	84.2 Å²	84.2	10%	0.098	42%	0.419	C	S	.	.	H	α-helix	trans	-67.5	-39.2	176.4	53.1	0	0	0	0	112	E296 L297 R303 F304	E296-S300 PolarHBondContact O-N 3.32Å; E296-S300 PolarHBondContact O-OG 3.12Å; L297-S300 WeakPolarHBondContact CA-OG 3.23Å; L297-S300 PolarHBondContact O-N 2.82Å; L297-S300 PolarHBondContact O-OG 3.41Å; S300-R303 PolarHBondContact O-N 2.95Å; S300-F304 WeakPolarHBondContact O-CD2 3.4Å; S300-F304 PolarHBondContact O-N 3Å
301	L	86.2	Confident	82.8	Confident	5 Å²	5	78.3 Å²	78.3	3%	0.026	40%	0.403	C	S	.	.	H	α-helix	trans	-64.9	-41	173.6	-68	176.3	0	0	0	112.5	L297 Q298 R303 F304 H305 N315 K316 L319	L297-L301 HydrophobicContact CG-CD1 4.43Å; L297-L301 WeakPolarHBondContact O-CG 3.15Å; L297-L301 PolarHBondContact O-N 3.5Å; Q298-L301 PolarHBondContact O-N 2.88Å; L301-R303 VanDerWaalsContact C-N 3.33Å; L301-R303 PolarHBondContact O-N 2.86Å; L301-F304 WeakPolarHBondContact O-CB 3.25Å; L301-F304 PolarHBondContact O-N 2.97Å; L301-F304 VanDerWaalsContact O-N 3.13Å; L301-H305 PolarHBondContact O-CD2 2.92Å; L301-H305 PolarHBondContact O-N 2.85Å; L301-N315 HydrophobicContact CD2-CB 3.62Å; L301-K316 HydrophobicContact CD1-CG 4.17Å; L301-K316 HydrophobicContact CD2-CG 4.17Å; L301-L319 HydrophobicContact CD2-CD1 4.24Å
302	E	87.7	Confident	83.7	Confident	112 Å²	112	76.4 Å²	76.4	52%	0.523	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-40	176	-168.9	169.2	-157.1	0	0	111.6	Q298 Q299 F304 H305 E306	Q298-E302 WeakPolarHBondContact O-CB 3.22Å; Q298-E302 PolarHBondContact O-N 3.27Å; Q299-E302 PolarHBondContact O-N 3.03Å; E302-F304 VanDerWaalsContact C-N 3.34Å; E302-F304 PolarHBondContact O-N 2.98Å; E302-H305 WeakPolarHBondContact O-CB 3.5Å; E302-H305 PolarHBondContact O-N 2.86Å; E302-H305 VanDerWaalsContact O-N 3.16Å; E302-E306 WeakPolarHBondContact O-CG 3.34Å; E302-E306 PolarHBondContact O-N 3.37Å
303	R	87.1	Confident	84.5	Confident	139 Å²	139	78.1 Å²	78.1	53%	0.525	39%	0.389	S	S	.	.	H	α-helix	trans	-64	-38	172	-72.2	-177.6	-176.9	-167.2	2.9	112.9	Q299 S300 L301 H305 E306 M307 F326	Q299-R303 WeakPolarHBondContact O-CG 3.3Å; Q299-R303 PolarHBondContact O-N 3.43Å; S300-R303 PolarHBondContact O-N 2.95Å; L301-R303 VanDerWaalsContact C-N 3.33Å; L301-R303 PolarHBondContact O-N 2.86Å; R303-H305 VanDerWaalsContact C-N 3.3Å; R303-E306 PolarHBondContact O-N 3.15Å; R303-M307 PolarHBondContact O-N 2.91Å; R303-F326 HydrophobicContact CB-CD2 4.47Å; R303-F326 HydrophobicContact CB-CE2 3.51Å; R303-F326 HydrophobicContact CB-CZ 3.51Å; R303-F326 HydrophobicContact CG-CZ 4.4Å
304	F	86.9	Confident	84.9	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-61.6	-41.5	172.5	-82.1	-57.4	0	0	0	111.2	S300 L301 E302 M307 G308 F309 N315 L319 F326 A329 L330 I333	S300-F304 WeakPolarHBondContact O-CD2 3.4Å; S300-F304 PolarHBondContact O-N 3Å; L301-F304 WeakPolarHBondContact O-CB 3.25Å; L301-F304 PolarHBondContact O-N 2.97Å; L301-F304 VanDerWaalsContact O-N 3.13Å; E302-F304 VanDerWaalsContact C-N 3.34Å; E302-F304 PolarHBondContact O-N 2.98Å; F304-M307 HydrophobicContact CD1-CE 4.16Å; F304-M307 PolarHBondContact O-N 2.94Å; F304-G308 PolarHBondContact O-N 2.93Å; F304-F309 CarbonylContact C-O 3.55Å; F304-F309 HydrophobicContact CB-CB 4.02Å; F304-F309 HydrophobicContact CD1-CB 4.12Å; F304-F309 AromaticContact CD1-CD2 3.86Å; F304-F309 HydrophobicContact CD1-CD2 3.86Å; F304-F309 HydrophobicContact CD1-CG 4.22Å; F304-F309 HydrophobicContact CG-CB 4.48Å; F304-F309 WeakPolarHBondContact O-CA 3.43Å; F304-F309 WeakPolarHBondContact O-CB 3.43Å; F304-F309 PolarHBondContact O-N 2.97Å; F304-N315 WeakPolarHBondContact CB-ND2 3.18Å; F304-N315 HydrophobicContact CD2-CB 4.04Å; F304-N315 HydrophobicContact CE2-CB 4.49Å; F304-N315 HydrophobicContact CG-CB 4.37Å; F304-L319 HydrophobicContact CD2-CD1 4.36Å; F304-L319 HydrophobicContact CE2-CD1 3.87Å; F304-L319 HydrophobicContact CE2-CD2 4.01Å; F304-L319 HydrophobicContact CE2-CG 3.87Å; F304-F326 HydrophobicContact CD1-CE2 4.09Å; F304-F326 HydrophobicContact CD2-CD2 4.14Å; F304-F326 AromaticContact CD2-CE2 3.92Å; F304-F326 HydrophobicContact CD2-CE2 3.92Å; F304-F326 HydrophobicContact CE1-CD2 4.36Å; F304-F326 AromaticContact CE1-CE2 3.97Å; F304-F326 HydrophobicContact CE1-CE2 3.97Å; F304-F326 AromaticContact CE2-CD2 3.66Å; F304-F326 HydrophobicContact CE2-CD2 3.66Å; F304-F326 AromaticContact CE2-CE2 3.82Å; F304-F326 HydrophobicContact CE2-CE2 3.82Å; F304-F326 HydrophobicContact CG-CE2 4.04Å; F304-F326 AromaticContact CZ-CD2 3.77Å; F304-F326 HydrophobicContact CZ-CD2 3.77Å; F304-F326 AromaticContact CZ-CE2 3.84Å; F304-F326 HydrophobicContact CZ-CE2 3.84Å; F304-A329 HydrophobicContact CZ-CB 3.91Å; F304-L330 HydrophobicContact CD1-CD1 4.36Å; F304-L330 HydrophobicContact CE1-CB 3.99Å; F304-L330 HydrophobicContact CE1-CD1 3.9Å; F304-L330 HydrophobicContact CZ-CB 4.43Å; F304-I333 HydrophobicContact CD1-CD1 3.88Å; F304-I333 HydrophobicContact CE1-CD1 3.32Å; F304-I333 HydrophobicContact CE2-CD1 4.49Å; F304-I333 HydrophobicContact CZ-CD1 3.69Å
305	H	87	Confident	85.2	Confident	75 Å²	75	75 Å²	75	35%	0.347	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-44	175.2	-70.2	-175.9	0	0	0	112.3	L301 E302 R303 M307 G308 F309 D312	L301-H305 PolarHBondContact O-CD2 2.92Å; L301-H305 PolarHBondContact O-N 2.85Å; E302-H305 WeakPolarHBondContact O-CB 3.5Å; E302-H305 PolarHBondContact O-N 2.86Å; E302-H305 VanDerWaalsContact O-N 3.16Å; R303-H305 VanDerWaalsContact C-N 3.3Å; H305-M307 PolarHBondContact O-N 3.35Å; H305-G308 PolarHBondContact O-N 3.33Å; H305-F309 PolarHBondContact CD2-O 2.65Å; H305-D312 IonicContact CD2-OD1 3.7Å; H305-D312 IonicContact CE1-OD1 3.37Å; H305-D312 PolarHBondContact CE1-OD1 3.42Å; H305-D312 IonicContact CE1-OD2 3.64Å; H305-D312 IonicContact NE2-OD1 2.66Å; H305-D312 PolarHBondContact NE2-OD1 3.3Å; H305-D312 IonicContact NE2-OD2 3.59Å
306	E	87.3	Confident	85.5	Confident	159 Å²	159	72.9 Å²	72.9	74%	0.743	36%	0.355	S	S	*	.	H	α-helix	trans	-58.9	-31.5	176.7	-73.6	-178.7	169.9	0	0	112.8	E302 R303	E302-E306 WeakPolarHBondContact O-CG 3.34Å; E302-E306 PolarHBondContact O-N 3.37Å; R303-E306 PolarHBondContact O-N 3.15Å
307	M	83.9	Confident	85.6	Confident	90 Å²	90	75.6 Å²	75.6	44%	0.443	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.6	176.4	-68.2	-173.7	-60.4	0	0	114.2	R303 F304 H305 F309 F326 L330	R303-M307 PolarHBondContact O-N 2.91Å; F304-M307 HydrophobicContact CD1-CE 4.16Å; F304-M307 PolarHBondContact O-N 2.94Å; H305-M307 PolarHBondContact O-N 3.35Å; M307-F309 HydrophobicContact CB-CD2 3.89Å; M307-F309 HydrophobicContact CB-CE2 3.98Å; M307-F309 HydrophobicContact CE-CD2 4.36Å; M307-F309 HydrophobicContact CE-CE2 4.38Å; M307-F326 HydrophobicContact CE-CE1 4.21Å; M307-F326 HydrophobicContact CE-CE2 4.08Å; M307-F326 HydrophobicContact CE-CZ 3.38Å; M307-L330 HydrophobicContact CE-CD1 3.48Å; M307-L330 VanDerWaalsContact CE-CD1 3.48Å; M307-L330 HydrophobicContact CE-CD2 3.78Å; M307-L330 HydrophobicContact CE-CG 4.22Å; M307-L330 HydrophobicContact SD-CD1 4.17Å; M307-L330 HydrophobicContact SD-CD2 3.92Å
308	G	83.6	Confident	85.6	Confident	41 Å²	41	74.1 Å²	74.1	42%	0.423	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	9.7	178.2	0	0	0	0	0	115.5	F304 H305 I310	F304-G308 PolarHBondContact O-N 2.93Å; H305-G308 PolarHBondContact O-N 3.33Å; G308-I310 PolarHBondContact O-N 3.16Å
309	F	84.4	Confident	85.7	Confident	21 Å²	21	68.5 Å²	68.5	9%	0.092	33%	0.326	C	S	.	.			trans	-90.3	81.6	172.2	-57.4	-74.3	0	0	0	110.1	F304 H305 M307 D311 N315 L330 I333 I334	F304-F309 CarbonylContact C-O 3.55Å; F304-F309 HydrophobicContact CB-CB 4.02Å; F304-F309 HydrophobicContact CD1-CB 4.12Å; F304-F309 AromaticContact CD1-CD2 3.86Å; F304-F309 HydrophobicContact CD1-CD2 3.86Å; F304-F309 HydrophobicContact CD1-CG 4.22Å; F304-F309 HydrophobicContact CG-CB 4.48Å; F304-F309 WeakPolarHBondContact O-CA 3.43Å; F304-F309 WeakPolarHBondContact O-CB 3.43Å; F304-F309 PolarHBondContact O-N 2.97Å; H305-F309 PolarHBondContact CD2-O 2.65Å; M307-F309 HydrophobicContact CB-CD2 3.89Å; M307-F309 HydrophobicContact CB-CE2 3.98Å; M307-F309 HydrophobicContact CE-CD2 4.36Å; M307-F309 HydrophobicContact CE-CE2 4.38Å; F309-D311 VanDerWaalsContact C-N 3.31Å; F309-D311 PolarHBondContact O-N 3.16Å; F309-N315 PolarHBondContact O-ND2 2.96Å; F309-L330 HydrophobicContact CD2-CD1 4.11Å; F309-L330 HydrophobicContact CE2-CD1 3.41Å; F309-L330 VanDerWaalsContact CE2-CD1 3.41Å; F309-L330 HydrophobicContact CZ-CD1 4.02Å; F309-I333 HydrophobicContact CD1-CG2 3.39Å; F309-I333 HydrophobicContact CE1-CB 4.41Å; F309-I333 HydrophobicContact CE1-CG2 3.23Å; F309-I333 HydrophobicContact CG-CG2 4.24Å; F309-I333 HydrophobicContact CZ-CG2 3.96Å; F309-I334 HydrophobicContact CZ-CG1 4.1Å
310	I	84.2	Confident	85.5	Confident	131 Å²	131	66.3 Å²	66.3	67%	0.672	32%	0.323	S	S	*	.			trans	-78.8	-14.1	-174	-56	167	0	0	0	112.5	G308 D312	G308-I310 PolarHBondContact O-N 3.16Å; I310-D312 PolarHBondContact O-N 2.96Å
311	D	85	Confident	85.6	Confident	80 Å²	80	72.3 Å²	72.3	43%	0.428	35%	0.35	S	S	.	.			trans	-79	90	-178.6	-165	-26.2	0	0	0	111.7	F309 E313 E314 N315	F309-D311 VanDerWaalsContact C-N 3.31Å; F309-D311 PolarHBondContact O-N 3.16Å; D311-E313 PolarHBondContact O-N 2.85Å; D311-E313 PolarHBondContact OD1-N 2.88Å; D311-E314 HydrophobicContact CB-CB 3.99Å; D311-E314 PolarHBondContact O-N 3.24Å; D311-E314 PolarHBondContact OD1-N 3.03Å; D311-N315 WeakPolarHBondContact O-CB 3.35Å; D311-N315 PolarHBondContact O-N 2.68Å; D311-N315 PolarHBondContact O-ND2 2.71Å; D311-N315 VanDerWaalsContact O-ND2 3.13Å; D311-N315 PolarHBondContact O-OD1 3.48Å
312	D	84.7	Confident	85.5	Confident	54 Å²	54	73 Å²	73	29%	0.289	36%	0.355	S	S	.	.	H	α-helix	trans	-58.1	-32.3	177	-78.3	-26.3	0	0	0	113.7	H305 I310 K316	H305-D312 IonicContact CD2-OD1 3.7Å; H305-D312 IonicContact CE1-OD1 3.37Å; H305-D312 PolarHBondContact CE1-OD1 3.42Å; H305-D312 IonicContact CE1-OD2 3.64Å; H305-D312 IonicContact NE2-OD1 2.66Å; H305-D312 PolarHBondContact NE2-OD1 3.3Å; H305-D312 IonicContact NE2-OD2 3.59Å; I310-D312 PolarHBondContact O-N 2.96Å; D312-K316 VanDerWaalsContact O-CB 3.3Å; D312-K316 WeakPolarHBondContact O-CB 3.47Å; D312-K316 WeakPolarHBondContact O-CD 3.41Å; D312-K316 WeakPolarHBondContact O-CG 3.41Å; D312-K316 PolarHBondContact O-N 3.5Å
313	E	86.3	Confident	85.3	Confident	105 Å²	105	74.3 Å²	74.3	49%	0.491	37%	0.366	S	S	.	.	H	α-helix	trans	-76	-39.2	-177.7	-70.2	-59.4	122.3	0	0	111.1	D311 K316 R317	D311-E313 PolarHBondContact O-N 2.85Å; D311-E313 PolarHBondContact OD1-N 2.88Å; E313-K316 IonicContact OE1-NZ 2.88Å; E313-K316 PolarHBondContact OE1-NZ 3.2Å; E313-R317 VanDerWaalsContact O-CG 3.29Å; E313-R317 WeakPolarHBondContact O-CG 3.49Å; E313-R317 PolarHBondContact O-N 2.85Å
314	E	83.9	Confident	85	Confident	50 Å²	50	72.9 Å²	72.9	23%	0.234	36%	0.361	C	S	.	.	H	α-helix	trans	-64.5	-49.5	170.4	-178	170	-146.1	0	0	111.1	D311 K316 R317 I318	D311-E314 HydrophobicContact CB-CB 3.99Å; D311-E314 PolarHBondContact O-N 3.24Å; D311-E314 PolarHBondContact OD1-N 3.03Å; E314-K316 VanDerWaalsContact C-N 3.34Å; E314-K316 PolarHBondContact O-N 2.85Å; E314-R317 PolarHBondContact O-N 2.67Å; E314-R317 VanDerWaalsContact O-N 3.14Å; E314-I318 HydrophobicContact CG-CD1 3.63Å; E314-I318 HydrophobicContact CG-CG1 4.43Å; E314-I318 WeakPolarHBondContact O-CG1 3.29Å; E314-I318 PolarHBondContact O-N 2.75Å
315	N	85.7	Confident	85	Confident	0 Å²	0	76 Å²	76	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-58.4	-43.5	-179.1	-65.9	-21.6	0	0	0	112.1	L301 F304 F309 D311 I318 L319 I333	L301-N315 HydrophobicContact CD2-CB 3.62Å; F304-N315 WeakPolarHBondContact CB-ND2 3.18Å; F304-N315 HydrophobicContact CD2-CB 4.04Å; F304-N315 HydrophobicContact CE2-CB 4.49Å; F304-N315 HydrophobicContact CG-CB 4.37Å; F309-N315 PolarHBondContact O-ND2 2.96Å; D311-N315 WeakPolarHBondContact O-CB 3.35Å; D311-N315 PolarHBondContact O-N 2.68Å; D311-N315 PolarHBondContact O-ND2 2.71Å; D311-N315 VanDerWaalsContact O-ND2 3.13Å; D311-N315 PolarHBondContact O-OD1 3.48Å; N315-I318 PolarHBondContact O-N 3.11Å; N315-L319 WeakPolarHBondContact O-CB 3.45Å; N315-L319 WeakPolarHBondContact O-CG 3.23Å; N315-L319 PolarHBondContact O-N 3.24Å; N315-I333 WeakPolarHBondContact OD1-CD1 3.44Å
316	K	86.5	Confident	84.9	Confident	76 Å²	76	74 Å²	74	33%	0.33	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-41.4	176.6	-75.9	169.8	-157.3	162.2	0	112.6	L301 D312 E313 E314 I318 A320	L301-K316 HydrophobicContact CD1-CG 4.17Å; L301-K316 HydrophobicContact CD2-CG 4.17Å; D312-K316 VanDerWaalsContact O-CB 3.3Å; D312-K316 WeakPolarHBondContact O-CB 3.47Å; D312-K316 WeakPolarHBondContact O-CD 3.41Å; D312-K316 WeakPolarHBondContact O-CG 3.41Å; D312-K316 PolarHBondContact O-N 3.5Å; E313-K316 IonicContact OE1-NZ 2.88Å; E313-K316 PolarHBondContact OE1-NZ 3.2Å; E314-K316 VanDerWaalsContact C-N 3.34Å; E314-K316 PolarHBondContact O-N 2.85Å; K316-I318 VanDerWaalsContact C-N 3.32Å; K316-A320 WeakPolarHBondContact O-CB 3.47Å; K316-A320 PolarHBondContact O-N 3.13Å
317	R	85.5	Confident	84.9	Confident	184 Å²	184	71.9 Å²	71.9	69%	0.694	36%	0.362	S	S	*	.	H	α-helix	trans	-63.4	-42.6	178.3	-74.4	174.9	-174.7	-167.6	3.9	111.1	E313 E314 A320 Q321	E313-R317 VanDerWaalsContact O-CG 3.29Å; E313-R317 WeakPolarHBondContact O-CG 3.49Å; E313-R317 PolarHBondContact O-N 2.85Å; E314-R317 PolarHBondContact O-N 2.67Å; E314-R317 VanDerWaalsContact O-N 3.14Å; R317-A320 PolarHBondContact O-N 2.97Å; R317-Q321 WeakPolarHBondContact O-CB 3.38Å; R317-Q321 PolarHBondContact O-N 2.69Å
318	I	85.2	Confident	85	Confident	9 Å²	9	75.3 Å²	75.3	5%	0.046	37%	0.37	C	S	.	.	H	α-helix	trans	-70.4	-44.1	-179	-69.3	178	0	0	0	110.5	E314 N315 K316 A320 Q321 C322 A329 M332 I333	E314-I318 HydrophobicContact CG-CD1 3.63Å; E314-I318 HydrophobicContact CG-CG1 4.43Å; E314-I318 WeakPolarHBondContact O-CG1 3.29Å; E314-I318 PolarHBondContact O-N 2.75Å; N315-I318 PolarHBondContact O-N 3.11Å; K316-I318 VanDerWaalsContact C-N 3.32Å; I318-A320 VanDerWaalsContact C-N 3.32Å; I318-A320 PolarHBondContact O-N 3.35Å; I318-Q321 WeakPolarHBondContact O-CB 3.36Å; I318-Q321 PolarHBondContact O-N 2.66Å; I318-Q321 VanDerWaalsContact O-N 3.12Å; I318-C322 WeakPolarHBondContact O-CB 3.48Å; I318-C322 PolarHBondContact O-N 3.1Å; I318-A329 HydrophobicContact CG2-CB 3.64Å; I318-A329 WeakPolarHBondContact CG2-O 3.3Å; I318-M332 HydrophobicContact CB-CE 3.6Å; I318-M332 HydrophobicContact CD1-CE 4.44Å; I318-M332 HydrophobicContact CG1-CE 3.66Å; I318-M332 HydrophobicContact CG2-CB 4.29Å; I318-M332 HydrophobicContact CG2-CE 3.15Å; I318-I333 HydrophobicContact CB-CD1 4.48Å; I318-I333 HydrophobicContact CB-CG1 4.24Å; I318-I333 HydrophobicContact CD1-CB 4.37Å; I318-I333 HydrophobicContact CD1-CD1 4.22Å; I318-I333 HydrophobicContact CD1-CG1 3.28Å; I318-I333 HydrophobicContact CG1-CG1 4.32Å; I318-I333 HydrophobicContact CG2-CD1 3.96Å; I318-I333 HydrophobicContact CG2-CG1 3.68Å
319	L	87.1	Confident	85.1	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-56.8	-45.8	170.9	-79	168.5	0	0	0	111.5	L297 L301 F304 N315 Q321 C322 N323 Y324 A329	L297-L319 HydrophobicContact CD1-CD1 3.8Å; L301-L319 HydrophobicContact CD2-CD1 4.24Å; F304-L319 HydrophobicContact CD2-CD1 4.36Å; F304-L319 HydrophobicContact CE2-CD1 3.87Å; F304-L319 HydrophobicContact CE2-CD2 4.01Å; F304-L319 HydrophobicContact CE2-CG 3.87Å; N315-L319 WeakPolarHBondContact O-CB 3.45Å; N315-L319 WeakPolarHBondContact O-CG 3.23Å; N315-L319 PolarHBondContact O-N 3.24Å; L319-Q321 VanDerWaalsContact C-N 3.27Å; L319-Q321 PolarHBondContact O-N 3.28Å; L319-C322 CarbonylContact O-C 3.53Å; L319-C322 PolarHBondContact O-N 2.79Å; L319-N323 PolarHBondContact O-N 2.63Å; L319-Y324 HydrophobicContact CB-CD1 4.27Å; L319-Y324 WeakPolarHBondContact O-CA 3.32Å; L319-Y324 PolarHBondContact O-N 3.31Å; L319-A329 HydrophobicContact CD2-CB 3.7Å; L319-A329 HydrophobicContact CG-CB 4.08Å
320	A	84.2	Confident	85.2	Confident	47 Å²	47	73.8 Å²	73.8	39%	0.388	35%	0.353	S	S	.	.	H	α-helix	trans	-61.9	-36	177.3	0	0	0	0	0	112.4	K316 R317 I318	K316-A320 WeakPolarHBondContact O-CB 3.47Å; K316-A320 PolarHBondContact O-N 3.13Å; R317-A320 PolarHBondContact O-N 2.97Å; I318-A320 VanDerWaalsContact C-N 3.32Å; I318-A320 PolarHBondContact O-N 3.35Å
321	Q	86	Confident	85.4	Confident	140 Å²	140	74.1 Å²	74.1	65%	0.654	35%	0.351	S	S	*	.	H	α-helix	trans	-70.9	-34.2	176.3	-173.3	171.3	5	0	0	112.4	R317 I318 L319 N323 M332	R317-Q321 WeakPolarHBondContact O-CB 3.38Å; R317-Q321 PolarHBondContact O-N 2.69Å; I318-Q321 WeakPolarHBondContact O-CB 3.36Å; I318-Q321 PolarHBondContact O-N 2.66Å; I318-Q321 VanDerWaalsContact O-N 3.12Å; L319-Q321 VanDerWaalsContact C-N 3.27Å; L319-Q321 PolarHBondContact O-N 3.28Å; Q321-N323 VanDerWaalsContact C-N 3.32Å; Q321-N323 PolarHBondContact O-N 3.23Å; Q321-M332 HydrophobicContact CB-CE 4.1Å; Q321-M332 HydrophobicContact CG-CE 4.21Å; Q321-M332 HydrophobicContact CG-SD 4.42Å
322	C	84.4	Confident	85.5	Confident	19 Å²	19	72.3 Å²	72.3	13%	0.128	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	13	178.8	-66.9	0	0	0	0	114	I318 L319 Y324 D325 R328 A329	I318-C322 WeakPolarHBondContact O-CB 3.48Å; I318-C322 PolarHBondContact O-N 3.1Å; L319-C322 CarbonylContact O-C 3.53Å; L319-C322 PolarHBondContact O-N 2.79Å; C322-Y324 VanDerWaalsContact C-N 3.28Å; C322-Y324 PolarHBondContact O-N 3.43Å; C322-D325 WeakPolarHBondContact O-CB 3.48Å; C322-D325 PolarHBondContact O-N 2.78Å; C322-R328 HydrophobicContact CB-CB 4.08Å; C322-A329 HydrophobicContact CB-CB 4.14Å
323	N	83.5	Confident	85.6	Confident	140 Å²	140	69.8 Å²	69.8	75%	0.749	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	36.8	-174.8	-60.9	-49.8	0	0	0	114	L319 Q321 D325	L319-N323 PolarHBondContact O-N 2.63Å; Q321-N323 VanDerWaalsContact C-N 3.32Å; Q321-N323 PolarHBondContact O-N 3.23Å; N323-D325 PolarHBondContact O-N 3.29Å
324	Y	81.1	Confident	85.6	Confident	110 Å²	110	68 Å²	68	43%	0.431	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	20.4	179.2	-51.5	-79.7	0	0	0	114.9	F293 L297 L319 C322	F293-Y324 HydrophobicContact CE1-CE1 4.47Å; F293-Y324 AromaticContact CE2-CD1 3.97Å; F293-Y324 HydrophobicContact CE2-CD1 3.97Å; F293-Y324 AromaticContact CE2-CD2 3.82Å; F293-Y324 HydrophobicContact CE2-CD2 3.82Å; F293-Y324 HydrophobicContact CE2-CE1 4.11Å; F293-Y324 AromaticContact CE2-CE2 3.94Å; F293-Y324 HydrophobicContact CE2-CE2 3.94Å; F293-Y324 AromaticContact CE2-CG 3.82Å; F293-Y324 HydrophobicContact CE2-CG 3.82Å; F293-Y324 AromaticContact CZ-CD1 3.75Å; F293-Y324 HydrophobicContact CZ-CD1 3.75Å; F293-Y324 HydrophobicContact CZ-CD2 4.05Å; F293-Y324 AromaticContact CZ-CE1 3.46Å; F293-Y324 HydrophobicContact CZ-CE1 3.46Å; F293-Y324 VanDerWaalsContact CZ-CE1 3.46Å; F293-Y324 AromaticContact CZ-CE2 3.77Å; F293-Y324 HydrophobicContact CZ-CE2 3.77Å; F293-Y324 HydrophobicContact CZ-CG 4.04Å; F293-Y324 AromaticContact CZ-CZ 3.45Å; F293-Y324 VanDerWaalsContact CZ-CZ 3.45Å; L297-Y324 HydrophobicContact CD1-CD1 4.32Å; L297-Y324 HydrophobicContact CD1-CE1 4.48Å; L319-Y324 HydrophobicContact CB-CD1 4.27Å; L319-Y324 WeakPolarHBondContact O-CA 3.32Å; L319-Y324 PolarHBondContact O-N 3.31Å; C322-Y324 VanDerWaalsContact C-N 3.28Å; C322-Y324 PolarHBondContact O-N 3.43Å
325	D	86.7	Confident	85.7	Confident	66 Å²	66	70.7 Å²	70.7	35%	0.353	33%	0.333	S	S	.	.			trans	-83.2	113.4	170.6	-166.1	-11.1	0	0	0	109.9	C322 N323 R328 A329	C322-D325 WeakPolarHBondContact O-CB 3.48Å; C322-D325 PolarHBondContact O-N 2.78Å; N323-D325 PolarHBondContact O-N 3.29Å; D325-R328 HydrophobicContact CB-CB 4.29Å; D325-A329 VanDerWaalsContact O-CB 3.27Å; D325-A329 WeakPolarHBondContact O-CB 3.33Å; D325-A329 PolarHBondContact O-N 3.34Å
326	F	83.5	Confident	85.7	Confident	31 Å²	31	77.3 Å²	77.3	14%	0.136	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-43.8	-176.2	173.5	-97.8	0	0	0	112.3	R303 F304 M307 R328 A329 L330	R303-F326 HydrophobicContact CB-CD2 4.47Å; R303-F326 HydrophobicContact CB-CE2 3.51Å; R303-F326 HydrophobicContact CB-CZ 3.51Å; R303-F326 HydrophobicContact CG-CZ 4.4Å; F304-F326 HydrophobicContact CD1-CE2 4.09Å; F304-F326 HydrophobicContact CD2-CD2 4.14Å; F304-F326 AromaticContact CD2-CE2 3.92Å; F304-F326 HydrophobicContact CD2-CE2 3.92Å; F304-F326 HydrophobicContact CE1-CD2 4.36Å; F304-F326 AromaticContact CE1-CE2 3.97Å; F304-F326 HydrophobicContact CE1-CE2 3.97Å; F304-F326 AromaticContact CE2-CD2 3.66Å; F304-F326 HydrophobicContact CE2-CD2 3.66Å; F304-F326 AromaticContact CE2-CE2 3.82Å; F304-F326 HydrophobicContact CE2-CE2 3.82Å; F304-F326 HydrophobicContact CG-CE2 4.04Å; F304-F326 AromaticContact CZ-CD2 3.77Å; F304-F326 HydrophobicContact CZ-CD2 3.77Å; F304-F326 AromaticContact CZ-CE2 3.84Å; F304-F326 HydrophobicContact CZ-CE2 3.84Å; M307-F326 HydrophobicContact CE-CE1 4.21Å; M307-F326 HydrophobicContact CE-CE2 4.08Å; M307-F326 HydrophobicContact CE-CZ 3.38Å; F326-R328 PolarHBondContact O-N 3.17Å; F326-A329 PolarHBondContact O-N 3.35Å; F326-L330 HydrophobicContact CE1-CD2 4.45Å; F326-L330 WeakPolarHBondContact O-CB 3.37Å; F326-L330 PolarHBondContact O-N 2.83Å
327	D	87.7	Confident	85.3	Confident	115 Å²	115	78.7 Å²	78.7	62%	0.615	36%	0.361	S	S	*	.	H	α-helix	trans	-66.5	-41.4	-174.2	-67.2	-38.7	0	0	0	111.2	L330 E331	D327-L330 PolarHBondContact O-N 2.93Å; D327-E331 PolarHBondContact O-N 2.91Å; D327-E331 VanDerWaalsContact O-N 3.09Å
328	R	85.7	Confident	85.2	Confident	162 Å²	162	76 Å²	76	61%	0.611	36%	0.356	S	S	*	.	H	α-helix	trans	-70	-38.5	175.2	-78.2	-177.6	157.6	176.1	-2.6	113.1	C322 D325 F326 L330 E331 M332	C322-R328 HydrophobicContact CB-CB 4.08Å; D325-R328 HydrophobicContact CB-CB 4.29Å; F326-R328 PolarHBondContact O-N 3.17Å; R328-L330 VanDerWaalsContact C-N 3.3Å; R328-E331 PolarHBondContact O-N 3.15Å; R328-M332 WeakPolarHBondContact O-CB 3.18Å; R328-M332 PolarHBondContact O-N 3.17Å
329	A	85.9	Confident	85	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-41.3	176.4	0	0	0	0	0	110.8	F304 I318 L319 C322 D325 F326 M332 I333	F304-A329 HydrophobicContact CZ-CB 3.91Å; I318-A329 HydrophobicContact CG2-CB 3.64Å; I318-A329 WeakPolarHBondContact CG2-O 3.3Å; L319-A329 HydrophobicContact CD2-CB 3.7Å; L319-A329 HydrophobicContact CG-CB 4.08Å; C322-A329 HydrophobicContact CB-CB 4.14Å; D325-A329 VanDerWaalsContact O-CB 3.27Å; D325-A329 WeakPolarHBondContact O-CB 3.33Å; D325-A329 PolarHBondContact O-N 3.34Å; F326-A329 PolarHBondContact O-N 3.35Å; A329-M332 PolarHBondContact O-N 2.79Å; A329-I333 VanDerWaalsContact O-CG1 3.31Å; A329-I333 WeakPolarHBondContact O-CG1 3.22Å; A329-I333 PolarHBondContact O-N 2.73Å
330	L	86.4	Confident	84.3	Confident	30 Å²	30	85.8 Å²	85.8	16%	0.157	41%	0.406	C	S	.	.	H	α-helix	trans	-61.6	-48.5	175.1	179.9	63.2	0	0	0	112.4	F304 M307 F309 F326 D327 R328 M332 I333 I334	F304-L330 HydrophobicContact CD1-CD1 4.36Å; F304-L330 HydrophobicContact CE1-CB 3.99Å; F304-L330 HydrophobicContact CE1-CD1 3.9Å; F304-L330 HydrophobicContact CZ-CB 4.43Å; M307-L330 HydrophobicContact CE-CD1 3.48Å; M307-L330 VanDerWaalsContact CE-CD1 3.48Å; M307-L330 HydrophobicContact CE-CD2 3.78Å; M307-L330 HydrophobicContact CE-CG 4.22Å; M307-L330 HydrophobicContact SD-CD1 4.17Å; M307-L330 HydrophobicContact SD-CD2 3.92Å; F309-L330 HydrophobicContact CD2-CD1 4.11Å; F309-L330 HydrophobicContact CE2-CD1 3.41Å; F309-L330 VanDerWaalsContact CE2-CD1 3.41Å; F309-L330 HydrophobicContact CZ-CD1 4.02Å; F326-L330 HydrophobicContact CE1-CD2 4.45Å; F326-L330 WeakPolarHBondContact O-CB 3.37Å; F326-L330 PolarHBondContact O-N 2.83Å; D327-L330 PolarHBondContact O-N 2.93Å; R328-L330 VanDerWaalsContact C-N 3.3Å; L330-M332 VanDerWaalsContact C-N 3.26Å; L330-M332 PolarHBondContact O-N 3Å; L330-I333 PolarHBondContact O-N 3.33Å; L330-I334 HydrophobicContact CD1-CD1 4.03Å; L330-I334 HydrophobicContact CD1-CG1 4.32Å; L330-I334 HydrophobicContact CG-CD1 3.94Å; L330-I334 WeakPolarHBondContact O-CG1 3.4Å; L330-I334 PolarHBondContact O-N 2.68Å
331	E	88.6	Confident	83.5	Confident	138 Å²	138	89.4 Å²	89.4	65%	0.645	42%	0.418	S	S	*	.	H	α-helix	trans	-57.2	-42.4	176.7	-172.4	175.5	-158.4	0	0	111.3	D327 R328 I334 Q335	D327-E331 PolarHBondContact O-N 2.91Å; D327-E331 VanDerWaalsContact O-N 3.09Å; R328-E331 PolarHBondContact O-N 3.15Å; E331-I334 PolarHBondContact O-N 2.73Å; E331-Q335 WeakPolarHBondContact O-CB 3.42Å; E331-Q335 PolarHBondContact O-N 3.41Å
332	M	87	Confident	82.4	Confident	43 Å²	43	89.6 Å²	89.6	21%	0.212	42%	0.424	C	S	.	.	H	α-helix	trans	-67.8	-37.3	178	-167.9	173.8	62.7	0	0	112.8	I318 Q321 R328 A329 L330 R336	I318-M332 HydrophobicContact CB-CE 3.6Å; I318-M332 HydrophobicContact CD1-CE 4.44Å; I318-M332 HydrophobicContact CG1-CE 3.66Å; I318-M332 HydrophobicContact CG2-CB 4.29Å; I318-M332 HydrophobicContact CG2-CE 3.15Å; Q321-M332 HydrophobicContact CB-CE 4.1Å; Q321-M332 HydrophobicContact CG-CE 4.21Å; Q321-M332 HydrophobicContact CG-SD 4.42Å; R328-M332 WeakPolarHBondContact O-CB 3.18Å; R328-M332 PolarHBondContact O-N 3.17Å; A329-M332 PolarHBondContact O-N 2.79Å; L330-M332 VanDerWaalsContact C-N 3.26Å; L330-M332 PolarHBondContact O-N 3Å; M332-R336 VanDerWaalsContact O-CB 3.25Å; M332-R336 WeakPolarHBondContact O-CB 3.38Å; M332-R336 PolarHBondContact O-N 3.4Å
333	I	86.2	Confident	80.8	Confident	0 Å²	0	97.7 Å²	97.7	0%	0	46%	0.457	C	S	.	.	H	α-helix	trans	-64.2	-46.8	174.5	-70.2	158.7	0	0	0	110.5	F304 F309 N315 I318 A329 L330 R336 R337	F304-I333 HydrophobicContact CD1-CD1 3.88Å; F304-I333 HydrophobicContact CE1-CD1 3.32Å; F304-I333 HydrophobicContact CE2-CD1 4.49Å; F304-I333 HydrophobicContact CZ-CD1 3.69Å; F309-I333 HydrophobicContact CD1-CG2 3.39Å; F309-I333 HydrophobicContact CE1-CB 4.41Å; F309-I333 HydrophobicContact CE1-CG2 3.23Å; F309-I333 HydrophobicContact CG-CG2 4.24Å; F309-I333 HydrophobicContact CZ-CG2 3.96Å; N315-I333 WeakPolarHBondContact OD1-CD1 3.44Å; I318-I333 HydrophobicContact CB-CD1 4.48Å; I318-I333 HydrophobicContact CB-CG1 4.24Å; I318-I333 HydrophobicContact CD1-CB 4.37Å; I318-I333 HydrophobicContact CD1-CD1 4.22Å; I318-I333 HydrophobicContact CD1-CG1 3.28Å; I318-I333 HydrophobicContact CG1-CG1 4.32Å; I318-I333 HydrophobicContact CG2-CD1 3.96Å; I318-I333 HydrophobicContact CG2-CG1 3.68Å; A329-I333 VanDerWaalsContact O-CG1 3.31Å; A329-I333 WeakPolarHBondContact O-CG1 3.22Å; A329-I333 PolarHBondContact O-N 2.73Å; L330-I333 PolarHBondContact O-N 3.33Å; I333-R336 PolarHBondContact O-N 2.92Å; I333-R337 PolarHBondContact O-N 2.83Å
334	I	86.5	Confident	78.8	Confident	69 Å²	69	99 Å²	99	35%	0.354	48%	0.477	S	S	.	.	H	α-helix	trans	-60.6	-50.3	179.6	-68	168.5	0	0	0	109.5	F309 L330 E331 R336 R337 E338	F309-I334 HydrophobicContact CZ-CG1 4.1Å; L330-I334 HydrophobicContact CD1-CD1 4.03Å; L330-I334 HydrophobicContact CD1-CG1 4.32Å; L330-I334 HydrophobicContact CG-CD1 3.94Å; L330-I334 WeakPolarHBondContact O-CG1 3.4Å; L330-I334 PolarHBondContact O-N 2.68Å; E331-I334 PolarHBondContact O-N 2.73Å; I334-R336 VanDerWaalsContact C-N 3.29Å; I334-R336 PolarHBondContact O-N 3.23Å; I334-R337 PolarHBondContact O-N 3.01Å; I334-R337 VanDerWaalsContact O-N 3.1Å; I334-E338 HydrophobicContact CG2-CG 4.24Å; I334-E338 WeakPolarHBondContact O-CG 3.38Å; I334-E338 PolarHBondContact O-N 3.49Å
335	Q	87.2	Confident	78.7	Confident	106 Å²	106	98.4 Å²	98.4	50%	0.495	48%	0.48	S	S	.	.	H	α-helix	trans	-57.4	-43.1	178.3	-173.3	-177.8	-3.9	0	0	111.7	E331 R337 E338 E339	E331-Q335 WeakPolarHBondContact O-CB 3.42Å; E331-Q335 PolarHBondContact O-N 3.41Å; Q335-R337 VanDerWaalsContact C-N 3.32Å; Q335-R337 PolarHBondContact O-N 3.25Å; Q335-E338 PolarHBondContact O-N 2.69Å; Q335-E339 PolarHBondContact NE2-OE1 3.33Å; Q335-E339 WeakPolarHBondContact O-CB 3.43Å; Q335-E339 VanDerWaalsContact O-CG 3.29Å; Q335-E339 WeakPolarHBondContact O-CG 3.36Å; Q335-E339 PolarHBondContact O-N 3.29Å
336	R	83.9	Confident	78.3	Confident	139 Å²	139	100.1 Å²	100.1	53%	0.525	49%	0.486	S	S	.	.	H	α-helix	trans	-66.7	-32.7	179.5	-164.9	173.2	-173.5	83	3.4	112.7	M332 I333 I334 N340	M332-R336 VanDerWaalsContact O-CB 3.25Å; M332-R336 WeakPolarHBondContact O-CB 3.38Å; M332-R336 PolarHBondContact O-N 3.4Å; I333-R336 PolarHBondContact O-N 2.92Å; I334-R336 VanDerWaalsContact C-N 3.29Å; I334-R336 PolarHBondContact O-N 3.23Å; R336-N340 PolarHBondContact O-N 3.23Å; R336-N340 PolarHBondContact O-ND2 3.44Å
337	R	79.5	Confident	78	Confident	104 Å²	104	103.9 Å²	103.9	39%	0.392	51%	0.506	S	S	.	.	H	α-helix	trans	-75.2	-42.1	173.2	-74.5	-165.9	-179.7	-169.2	-1.6	112.2	I333 I334 Q335 E339 N340 D341	I333-R337 PolarHBondContact O-N 2.83Å; I334-R337 PolarHBondContact O-N 3.01Å; I334-R337 VanDerWaalsContact O-N 3.1Å; Q335-R337 VanDerWaalsContact C-N 3.32Å; Q335-R337 PolarHBondContact O-N 3.25Å; R337-E339 VanDerWaalsContact C-N 3.31Å; R337-E339 PolarHBondContact O-N 2.71Å; R337-N340 PolarHBondContact O-N 3.32Å; R337-N340 VanDerWaalsContact O-N 3.13Å; R337-D341 PolarHBondContact O-N 3.19Å
338	E	82.4	Confident	77.4	Confident	127 Å²	127	103.3 Å²	103.3	59%	0.593	50%	0.499	S	S	*	.	H	α-helix	trans	-60.2	-41.1	174.7	-72.9	-177	170.6	0	0	111.7	I334 Q335 N340 D341 N342	I334-E338 HydrophobicContact CG2-CG 4.24Å; I334-E338 WeakPolarHBondContact O-CG 3.38Å; I334-E338 PolarHBondContact O-N 3.49Å; Q335-E338 PolarHBondContact O-N 2.69Å; E338-N340 VanDerWaalsContact C-N 3.3Å; E338-N340 PolarHBondContact O-N 2.93Å; E338-D341 PolarHBondContact O-N 3.14Å; E338-N342 WeakPolarHBondContact O-CB 3.48Å; E338-N342 PolarHBondContact O-N 3.24Å; E338-N342 VanDerWaalsContact O-N 3.07Å
339	E	81.2	Confident	76.9	Confident	107 Å²	107	99.6 Å²	99.6	50%	0.5	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-35.2	175	-75.8	174.5	-170.5	0	0	112.6	Q335 R337	Q335-E339 PolarHBondContact NE2-OE1 3.33Å; Q335-E339 WeakPolarHBondContact O-CB 3.43Å; Q335-E339 VanDerWaalsContact O-CG 3.29Å; Q335-E339 WeakPolarHBondContact O-CG 3.36Å; Q335-E339 PolarHBondContact O-N 3.29Å; R337-E339 VanDerWaalsContact C-N 3.31Å; R337-E339 PolarHBondContact O-N 2.71Å
340	N	73.3	Confident	76.3	Confident	108 Å²	108	106.3 Å²	106.3	58%	0.578	53%	0.525	S	S	*	.	H	α-helix	trans	-77.9	-39.1	177.2	-79.4	-18.5	0	0	0	112.7	R336 R337 E338 N342 F343	R336-N340 PolarHBondContact O-N 3.23Å; R336-N340 PolarHBondContact O-ND2 3.44Å; R337-N340 PolarHBondContact O-N 3.32Å; R337-N340 VanDerWaalsContact O-N 3.13Å; E338-N340 VanDerWaalsContact C-N 3.3Å; E338-N340 PolarHBondContact O-N 2.93Å; N340-N342 VanDerWaalsContact C-N 3.33Å; N340-F343 PolarHBondContact O-N 3.41Å
341	D	67.6	Low	75.6	Confident	123 Å²	123	111.7 Å²	111.7	66%	0.658	55%	0.551	S	S	*	*	H	α-helix	trans	-70.3	-29.6	179.5	-81.9	-10.3	0	0	0	112	R337 E338 F343 S344	R337-D341 PolarHBondContact O-N 3.19Å; E338-D341 PolarHBondContact O-N 3.14Å; D341-F343 PolarHBondContact O-N 3.06Å; D341-F343 VanDerWaalsContact O-N 3.14Å; D341-S344 PolarHBondContact O-N 3.04Å
342	N	62.4	Low	74.6	Confident	144 Å²	144	109.7 Å²	109.7	77%	0.77	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-3.4	175.6	-141.4	18.5	0	0	0	113.3	E338 N340	E338-N342 WeakPolarHBondContact O-CB 3.48Å; E338-N342 PolarHBondContact O-N 3.24Å; E338-N342 VanDerWaalsContact O-N 3.07Å; N340-N342 VanDerWaalsContact C-N 3.33Å
343	F	50.6	Low	73.6	Confident	189 Å²	189	115.3 Å²	115.3	83%	0.829	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	9.4	178.4	-96.6	-79.8	0	0	0	114.6	N340 D341	N340-F343 PolarHBondContact O-N 3.41Å; D341-F343 PolarHBondContact O-N 3.06Å; D341-F343 VanDerWaalsContact O-N 3.14Å
344	S	42.2	Very low	72.4	Confident	167 Å²	167	125.7 Å²	125.7	100%	1.168	62%	0.624	S	S	*	*			trans	-102.1	0	159.6	-73.1	0	0	0	0	110.8	D341	D341-S344 PolarHBondContact O-N 3.04Å

Retrieved 344 of 344 residues in 57.5 ms (Link to these results)

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