A0A5K4E8S2_SCHMA Loading...

ZZ-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4E8S2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 202 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	50.1	Low	190 Å²	190	116.1 Å²	116.1	94%	0.936	57%	0.574	S	S	*	*				0	104.3	0	-74.9	178.3	176.3	0	0	107.1	Y3	M1-Y3 HydrophobicContact CB-CD2 4.29Å; M1-Y3 HydrophobicContact CB-CE2 3.92Å; M1-Y3 PolarHBondContact O-N 3.49Å
2	I	39.5	Very low	51	Low	148 Å²	148	108.8 Å²	108.8	76%	0.759	54%	0.538	S	S	*	.			trans	-77.1	104.3	171.3	-58.1	171.1	0	0	0	104.1	D4	I2-D4 WeakPolarHBondContact CG2-OD1 3.48Å; I2-D4 PolarHBondContact O-N 3.12Å
3	Y	47.7	Very low	52.2	Low	169 Å²	169	101.7 Å²	101.7	66%	0.663	50%	0.502	S	S	*	.			trans	-79.7	80	170.3	-74.7	-86.5	0	0	0	106.2	M1 R5	M1-Y3 HydrophobicContact CB-CD2 4.29Å; M1-Y3 HydrophobicContact CB-CE2 3.92Å; M1-Y3 PolarHBondContact O-N 3.49Å; Y3-R5 PolarHBondContact O-N 3.14Å; Y3-R5 VanDerWaalsContact O-N 3.08Å
4	D	48.5	Very low	53.3	Low	138 Å²	138	98.4 Å²	98.4	74%	0.738	50%	0.499	S	S	*	.			trans	-61.3	110.1	169.6	-90.3	-21.8	0	0	0	107.4	I2	I2-D4 WeakPolarHBondContact CG2-OD1 3.48Å; I2-D4 PolarHBondContact O-N 3.12Å
5	R	52.7	Low	54.3	Low	60 Å²	60	92 Å²	92	23%	0.226	47%	0.467	C	S	.	.			trans	-72	144	165.8	-64.4	174.7	75.2	144.1	-1.8	107.5	Y3 D7 N8 T9 E35	Y3-R5 PolarHBondContact O-N 3.14Å; Y3-R5 VanDerWaalsContact O-N 3.08Å; R5-D7 WeakPolarHBondContact CB-OD1 3.3Å; R5-D7 VanDerWaalsContact CD-OD1 3.22Å; R5-D7 WeakPolarHBondContact CD-OD1 3.39Å; R5-D7 IonicContact CZ-OD1 2.74Å; R5-D7 IonicContact CZ-OD2 3.82Å; R5-D7 VanDerWaalsContact CZ-OD2 3.3Å; R5-D7 VanDerWaalsContact NE-CG 3.34Å; R5-D7 IonicContact NE-OD1 3.3Å; R5-D7 PolarHBondContact NE-OD1 3Å; R5-D7 IonicContact NE-OD2 3.05Å; R5-D7 PolarHBondContact NE-OD2 2.69Å; R5-D7 IonicContact NH2-OD2 2.9Å; R5-D7 PolarHBondContact NH2-OD2 3.26Å; R5-D7 PolarHBondContact O-N 2.86Å; R5-D7 VanDerWaalsContact O-N 3.07Å; R5-N8 PolarHBondContact O-N 2.95Å; R5-T9 WeakPolarHBondContact CD-O 3.28Å; R5-E35 IonicContact NH2-OE1 2.88Å
6	E	53.5	Low	55	Low	209 Å²	209	91.6 Å²	91.6	98%	0.977	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.4	170	-66.1	180	168.4	0	0	112.4
7	D	59.2	Low	55.5	Low	82 Å²	82	90.8 Å²	90.8	44%	0.439	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	2.7	-177.2	66.4	23.7	0	0	0	114.7	R5 T9	R5-D7 WeakPolarHBondContact CB-OD1 3.3Å; R5-D7 VanDerWaalsContact CD-OD1 3.22Å; R5-D7 WeakPolarHBondContact CD-OD1 3.39Å; R5-D7 IonicContact CZ-OD1 2.74Å; R5-D7 IonicContact CZ-OD2 3.82Å; R5-D7 VanDerWaalsContact CZ-OD2 3.3Å; R5-D7 VanDerWaalsContact NE-CG 3.34Å; R5-D7 IonicContact NE-OD1 3.3Å; R5-D7 PolarHBondContact NE-OD1 3Å; R5-D7 IonicContact NE-OD2 3.05Å; R5-D7 PolarHBondContact NE-OD2 2.69Å; R5-D7 IonicContact NH2-OD2 2.9Å; R5-D7 PolarHBondContact NH2-OD2 3.26Å; R5-D7 PolarHBondContact O-N 2.86Å; R5-D7 VanDerWaalsContact O-N 3.07Å; D7-T9 PolarHBondContact O-N 3.33Å; D7-T9 PolarHBondContact O-OG1 3.22Å; D7-T9 VanDerWaalsContact OD1-CB 3.23Å; D7-T9 WeakPolarHBondContact OD1-CB 3.49Å; D7-T9 PolarHBondContact OD1-N 3.08Å; D7-T9 PolarHBondContact OD1-OG1 3.47Å
8	N	54.4	Low	56	Low	143 Å²	143	88.6 Å²	88.6	77%	0.765	46%	0.462	S	S	*	.			trans	54.2	16.6	-176.2	-67.2	-29.9	0	0	0	115.6	R5	R5-N8 PolarHBondContact O-N 2.95Å
9	T	51.8	Low	56.2	Low	47 Å²	47	92.1 Å²	92.1	29%	0.288	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-80.7	122.5	-177.7	-46.3	0	0	0	0	110	R5 D7 L11 P117	R5-T9 WeakPolarHBondContact CD-O 3.28Å; D7-T9 PolarHBondContact O-N 3.33Å; D7-T9 PolarHBondContact O-OG1 3.22Å; D7-T9 VanDerWaalsContact OD1-CB 3.23Å; D7-T9 WeakPolarHBondContact OD1-CB 3.49Å; D7-T9 PolarHBondContact OD1-N 3.08Å; D7-T9 PolarHBondContact OD1-OG1 3.47Å; T9-L11 PolarHBondContact O-N 3.38Å; T9-P117 HydrophobicContact CG2-CB 4.33Å; T9-P117 HydrophobicContact CG2-CG 4.1Å
10	P	53.9	Low	56.3	Low	35 Å²	35	93.4 Å²	93.4	23%	0.227	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-64	138.4	-177.9	26.3	-34.2	0	0	0	110.9	A114 P117	P10-A114 HydrophobicContact CB-CB 3.99Å; P10-A114 HydrophobicContact CG-CB 4.28Å; P10-P117 VanDerWaalsContact CD-CB 3.45Å; P10-P117 HydrophobicContact CG-CB 3.62Å; P10-P117 HydrophobicContact CG-CG 3.41Å; P10-P117 VanDerWaalsContact CG-CG 3.41Å
11	L	58	Low	56.4	Low	56 Å²	56	96.7 Å²	96.7	29%	0.293	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-68.2	136.1	173	-70.7	172	0	0	0	109.7	T9 F13	T9-L11 PolarHBondContact O-N 3.38Å; L11-F13 HydrophobicContact CB-CD2 4.45Å; L11-F13 HydrophobicContact CB-CE2 3.68Å; L11-F13 HydrophobicContact CB-CZ 3.87Å; L11-F13 HydrophobicContact CD1-CZ 4.14Å
12	L	60.9	Low	57.8	Low	28 Å²	28	92.4 Å²	92.4	15%	0.147	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-99.6	131	174	-65.6	157.7	0	0	0	109.3	G31 L108 T110 F116 L121	L12-G31 VanDerWaalsContact O-CA 3.28Å; L12-G31 WeakPolarHBondContact O-CA 3.46Å; L12-L108 HydrophobicContact CB-CD2 4.43Å; L12-T110 HydrophobicContact CD2-CG2 3.92Å; L12-F116 HydrophobicContact CD2-CD1 3.82Å; L12-F116 HydrophobicContact CD2-CE1 3.68Å; L12-L121 HydrophobicContact CD1-CD1 3.56Å; L12-L121 HydrophobicContact CD1-CD2 3.21Å; L12-L121 HydrophobicContact CD1-CG 3.86Å; L12-L121 HydrophobicContact CD2-CD1 3.6Å; L12-L121 HydrophobicContact CD2-CD2 4Å; L12-L121 HydrophobicContact CD2-CG 4.42Å; L12-L121 HydrophobicContact CG-CD1 4.06Å; L12-L121 HydrophobicContact CG-CD2 4.18Å
13	F	65.9	Low	58.8	Low	17 Å²	17	90.7 Å²	90.7	8%	0.075	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.8	178.1	-66.7	-78.4	0	0	0	107.7	L11 Y29 L108 I109 R111	L11-F13 HydrophobicContact CB-CD2 4.45Å; L11-F13 HydrophobicContact CB-CE2 3.68Å; L11-F13 HydrophobicContact CB-CZ 3.87Å; L11-F13 HydrophobicContact CD1-CZ 4.14Å; F13-Y29 HydrophobicContact CB-CD2 4.4Å; F13-Y29 HydrophobicContact CB-CG 4.19Å; F13-Y29 WeakPolarHBondContact CD1-O 3.48Å; F13-L108 CarbonylContact O-C 3.58Å; F13-L108 WeakPolarHBondContact O-CA 3.42Å; F13-I109 HydrophobicContact CB-CB 3.94Å; F13-I109 PolarHBondContact N-O 3.35Å; F13-I109 VanDerWaalsContact N-O 3.12Å; F13-I109 PolarHBondContact O-N 2.85Å; F13-R111 HydrophobicContact CD2-CG 4.28Å; F13-R111 HydrophobicContact CE2-CG 3.88Å
14	A	67.5	Low	59.4	Low	55 Å²	55	82.9 Å²	82.9	46%	0.455	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129	175.8	0	0	0	0	0	109.5	Y29 M107	A14-Y29 VanDerWaalsContact O-CD1 3.29Å; A14-Y29 WeakPolarHBondContact O-CD1 3.23Å; A14-M107 WeakPolarHBondContact CA-O 3.48Å
15	A	68.8	Low	59.8	Low	3 Å²	3	81.5 Å²	81.5	3%	0.025	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.8	169.2	0	0	0	0	0	109.6	Y29 F97 M107 I109	A15-Y29 VanDerWaalsContact CA-CE1 3.47Å; A15-Y29 HydrophobicContact CB-CD1 3.85Å; A15-Y29 HydrophobicContact CB-CE1 3.26Å; A15-F97 HydrophobicContact CB-CE2 4.35Å; A15-F97 HydrophobicContact CB-CZ 4.04Å; A15-M107 HydrophobicContact CB-CB 4.18Å; A15-M107 PolarHBondContact N-O 3.49Å; A15-M107 PolarHBondContact O-N 3.2Å; A15-I109 HydrophobicContact CB-CD1 3.98Å
16	P	64.8	Low	59.9	Low	85 Å²	85	80.6 Å²	80.6	55%	0.552	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-64	155	169.6	28.7	-33.1	0	0	0	110.3	L18	P16-L18 HydrophobicContact CG-CD2 4.25Å; P16-L18 PolarHBondContact O-N 3.36Å
17	V	64.4	Low	59.9	Low	78 Å²	78	75 Å²	75	47%	0.473	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-65.2	121.2	168.2	179	0	0	0	0	106.9	E104	V17-E104 WeakPolarHBondContact CG2-O 3.46Å
18	L	63.7	Low	59.5	Low	52 Å²	52	79.6 Å²	79.6	27%	0.272	44%	0.439	S	S	.	.			trans	-105.2	149.3	174.9	-62.3	-174.7	0	0	0	108.7	P16 E22 K24	P16-L18 HydrophobicContact CG-CD2 4.25Å; P16-L18 PolarHBondContact O-N 3.36Å; L18-E22 HydrophobicContact CB-CB 4.46Å; L18-E22 HydrophobicContact CD1-CB 4.49Å; L18-K24 HydrophobicContact CD1-CG 3.81Å; L18-K24 HydrophobicContact CG-CG 4.46Å
19	H	60.6	Low	59.7	Low	154 Å²	154	74.6 Å²	74.6	71%	0.713	41%	0.409	S	S	*	.			trans	-57.7	144.2	172.1	-63.7	-74.5	0	0	0	110.5	N21 E22	H19-N21 PolarHBondContact O-N 3.45Å; H19-E22 PolarHBondContact O-N 3Å
20	L	59.1	Low	59.8	Low	118 Å²	118	75.4 Å²	75.4	62%	0.618	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-23.3	-173.1	-76.2	159.8	0	0	0	114.5	E22 N100 S103	L20-E22 VanDerWaalsContact C-N 3.35Å; L20-N100 PolarHBondContact O-ND2 3.12Å; L20-S103 VanDerWaalsContact CD2-OG 3.25Å; L20-S103 WeakPolarHBondContact CD2-OG 3.27Å
21	N	58	Low	59.9	Low	164 Å²	164	75.9 Å²	75.9	88%	0.877	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.5	-178	-66.8	-11.9	0	0	0	114.1	H19	H19-N21 PolarHBondContact O-N 3.45Å
22	E	61.8	Low	59.7	Low	99 Å²	99	76.6 Å²	76.6	46%	0.463	45%	0.447	S	S	.	.	S	Bend	trans	-101.9	139	-179.6	-63.7	-172.3	164	0	0	112.2	L18 H19 L20 K24 N100	L18-E22 HydrophobicContact CB-CB 4.46Å; L18-E22 HydrophobicContact CD1-CB 4.49Å; H19-E22 PolarHBondContact O-N 3Å; L20-E22 VanDerWaalsContact C-N 3.35Å; E22-K24 PolarHBondContact O-N 2.99Å; E22-N100 PolarHBondContact O-ND2 3.2Å
23	T	59.3	Low	59.5	Low	112 Å²	112	82.5 Å²	82.5	69%	0.687	47%	0.467	S	S	*	.			trans	-81	114.6	175.1	54.5	0	0	0	0	110.2	L25	T23-L25 PolarHBondContact O-N 2.91Å
24	K	60.5	Low	59	Low	5 Å²	5	84 Å²	84	2%	0.022	48%	0.479	C	S	.	.			trans	-63.8	121.4	174.8	-66.5	-175.8	-177.5	-161.4	0	110.6	L18 E22 F97 N100 S103	L18-K24 HydrophobicContact CD1-CG 3.81Å; L18-K24 HydrophobicContact CG-CG 4.46Å; E22-K24 PolarHBondContact O-N 2.99Å; K24-F97 HydrophobicContact CB-CD1 4.22Å; K24-F97 HydrophobicContact CB-CE1 3.51Å; K24-F97 HydrophobicContact CB-CZ 3.93Å; K24-F97 HydrophobicContact CD-CD2 4.4Å; K24-F97 HydrophobicContact CD-CE1 3.85Å; K24-F97 HydrophobicContact CD-CE2 3.7Å; K24-F97 HydrophobicContact CD-CZ 3.4Å; K24-F97 VanDerWaalsContact CD-CZ 3.4Å; K24-F97 HydrophobicContact CG-CE1 4.24Å; K24-F97 HydrophobicContact CG-CZ 4.17Å; K24-N100 WeakPolarHBondContact CG-OD1 3.27Å; K24-S103 PolarHBondContact NZ-O 3.18Å
25	L	58.3	Low	58.5	Low	110 Å²	110	85.7 Å²	85.7	58%	0.576	48%	0.477	S	S	*	.			trans	-87.5	124.8	171.7	-70.6	174	0	0	0	109.2	T23 S27 Y29	T23-L25 PolarHBondContact O-N 2.91Å; L25-S27 PolarHBondContact O-N 3.1Å; L25-Y29 PolarHBondContact O-OH 2.91Å; L25-Y29 VanDerWaalsContact O-OH 3.08Å
26	P	54.4	Low	58.3	Low	41 Å²	41	90.7 Å²	90.7	27%	0.266	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-5.2	-179.2	27.9	-34.1	0	0	0	113.6	Y29 F82	P26-Y29 VanDerWaalsContact C-CE2 3.49Å; P26-Y29 WeakPolarHBondContact O-CE2 3.22Å; P26-F82 HydrophobicContact CB-CZ 4.09Å
27	S	53	Low	58.2	Low	90 Å²	90	88.6 Å²	88.6	63%	0.629	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-5.3	-164.6	-43.4	0	0	0	0	114.8	L25	L25-S27 PolarHBondContact O-N 3.1Å
28	F	51.1	Low	58.3	Low	180 Å²	180	88.6 Å²	88.6	79%	0.789	49%	0.489	S	S	*	.			trans	-120.6	87.8	-173.4	-106.2	-90.7	0	0	0	111.3
29	Y	57.6	Low	58.4	Low	38 Å²	38	89.3 Å²	89.3	15%	0.149	50%	0.499	C	S	.	.			trans	-135.4	131.7	174	-57.9	-65.6	0	0	0	110.1	F13 A14 A15 L25 P26 F82 F97 I109	F13-Y29 HydrophobicContact CB-CD2 4.4Å; F13-Y29 HydrophobicContact CB-CG 4.19Å; F13-Y29 WeakPolarHBondContact CD1-O 3.48Å; A14-Y29 VanDerWaalsContact O-CD1 3.29Å; A14-Y29 WeakPolarHBondContact O-CD1 3.23Å; A15-Y29 VanDerWaalsContact CA-CE1 3.47Å; A15-Y29 HydrophobicContact CB-CD1 3.85Å; A15-Y29 HydrophobicContact CB-CE1 3.26Å; L25-Y29 PolarHBondContact O-OH 2.91Å; L25-Y29 VanDerWaalsContact O-OH 3.08Å; P26-Y29 VanDerWaalsContact C-CE2 3.49Å; P26-Y29 WeakPolarHBondContact O-CE2 3.22Å; Y29-F82 HydrophobicContact CE2-CE1 4.3Å; Y29-F97 WeakPolarHBondContact OH-CE1 3.12Å; Y29-F97 WeakPolarHBondContact OH-CZ 3.45Å; Y29-I109 HydrophobicContact CD1-CD1 3.89Å; Y29-I109 HydrophobicContact CD2-CD1 3.35Å; Y29-I109 HydrophobicContact CE1-CD1 3.66Å; Y29-I109 HydrophobicContact CE2-CD1 3.06Å; Y29-I109 HydrophobicContact CG-CD1 3.75Å
30	G	54.1	Low	58.4	Low	64 Å²	64	87 Å²	87	66%	0.66	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-74.3	124	166.3	0	0	0	0	0	109
31	G	56.2	Low	58.4	Low	45 Å²	45	83.7 Å²	83.7	46%	0.464	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-92.1	132.1	167.3	0	0	0	0	0	109.6	L12	L12-G31 VanDerWaalsContact O-CA 3.28Å; L12-G31 WeakPolarHBondContact O-CA 3.46Å
32	C	55.1	Low	58.5	Low	71 Å²	71	81.3 Å²	81.3	48%	0.48	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-99.3	143.6	163.5	66.3	0	0	0	0	108.8	N36	C32-N36 HydrophobicContact CB-CB 4.41Å
33	R	56.4	Low	58.5	Low	151 Å²	151	80.9 Å²	80.9	57%	0.57	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-68.7	148.5	170.9	-58.1	-172.5	177.6	-177.7	-5.4	108.7	E35 N36 L37	R33-E35 VanDerWaalsContact CB-OE2 3.23Å; R33-E35 WeakPolarHBondContact CB-OE2 3.31Å; R33-E35 WeakPolarHBondContact CD-OE2 3.27Å; R33-E35 PolarHBondContact O-N 3.21Å; R33-E35 VanDerWaalsContact O-N 3.15Å; R33-N36 HydrophobicContact CB-CB 4.36Å; R33-N36 WeakPolarHBondContact O-CA 3.46Å; R33-N36 WeakPolarHBondContact O-CB 3.5Å; R33-N36 PolarHBondContact O-N 2.89Å; R33-L37 PolarHBondContact O-N 3.24Å
34	P	53.6	Low	58.4	Low	50 Å²	50	83.2 Å²	83.2	33%	0.325	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-51.5	-36.1	170.8	-26.9	34.6	0	0	0	112.4	N36 L37	P34-N36 PolarHBondContact O-N 3.27Å; P34-L37 WeakPolarHBondContact O-CB 3.28Å; P34-L37 WeakPolarHBondContact O-CG 3.43Å; P34-L37 PolarHBondContact O-N 3.3Å
35	E	58	Low	58.2	Low	89 Å²	89	83.6 Å²	83.6	42%	0.416	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-65.7	-21.5	175.1	-40	87.1	-116.7	0	0	113.4	R5 R33 R42	R5-E35 IonicContact NH2-OE1 2.88Å; R33-E35 VanDerWaalsContact CB-OE2 3.23Å; R33-E35 WeakPolarHBondContact CB-OE2 3.31Å; R33-E35 WeakPolarHBondContact CD-OE2 3.27Å; R33-E35 PolarHBondContact O-N 3.21Å; R33-E35 VanDerWaalsContact O-N 3.15Å; E35-R42 PolarHBondContact O-NH1 3.06Å
36	N	64.1	Low	58.1	Low	108 Å²	108	82.9 Å²	82.9	58%	0.578	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-91	-0.7	178.5	-60.9	-13.9	0	0	0	112.6	C32 R33 P34	C32-N36 HydrophobicContact CB-CB 4.41Å; R33-N36 HydrophobicContact CB-CB 4.36Å; R33-N36 WeakPolarHBondContact O-CA 3.46Å; R33-N36 WeakPolarHBondContact O-CB 3.5Å; R33-N36 PolarHBondContact O-N 2.89Å; P34-N36 PolarHBondContact O-N 3.27Å
37	L	62.6	Low	58.2	Low	42 Å²	42	89.1 Å²	89.1	22%	0.22	47%	0.472	C	S	.	.	S	Bend	trans	-65.7	144.5	173.2	-68.6	169.8	0	0	0	110.2	R33 P34 F41 R42	R33-L37 PolarHBondContact O-N 3.24Å; P34-L37 WeakPolarHBondContact O-CB 3.28Å; P34-L37 WeakPolarHBondContact O-CG 3.43Å; P34-L37 PolarHBondContact O-N 3.3Å; L37-F41 HydrophobicContact CB-CD1 4.19Å; L37-F41 HydrophobicContact CD1-CD1 3.96Å; L37-F41 HydrophobicContact CD1-CE1 3.95Å; L37-F41 HydrophobicContact CG-CD1 4.46Å; L37-R42 HydrophobicContact CB-CG 3.92Å
38	P	67.7	Low	58	Low	78 Å²	78	86.5 Å²	86.5	51%	0.506	46%	0.456	S	S	.	.			trans	-48.5	140	175.2	-29.5	36.9	0	0	0	112.5	D40 F41 R42	P38-D40 VanDerWaalsContact C-N 3.31Å; P38-D40 WeakPolarHBondContact CB-OD1 3.39Å; P38-D40 PolarHBondContact O-N 2.84Å; P38-F41 HydrophobicContact CB-CB 4.22Å; P38-F41 WeakPolarHBondContact O-CA 3.36Å; P38-F41 WeakPolarHBondContact O-CB 3.44Å; P38-F41 PolarHBondContact O-N 3.18Å; P38-R42 PolarHBondContact O-N 2.95Å
39	S	64.9	Low	57.6	Low	66 Å²	66	83 Å²	83	46%	0.462	45%	0.449	S	S	.	.	H	α-helix	trans	-63.5	-37.4	-172.3	52.7	0	0	0	0	112.8	F41 R42 E43	S39-F41 VanDerWaalsContact C-N 3.31Å; S39-F41 PolarHBondContact O-N 2.66Å; S39-R42 PolarHBondContact O-N 3.46Å; S39-E43 WeakPolarHBondContact O-CB 3.47Å; S39-E43 VanDerWaalsContact O-CG 3.26Å; S39-E43 WeakPolarHBondContact O-CG 3.18Å; S39-E43 PolarHBondContact O-N 3.32Å
40	D	60.7	Low	57.1	Low	106 Å²	106	84.7 Å²	84.7	57%	0.567	46%	0.457	S	S	*	.	H	α-helix	trans	-58.8	-41.8	172.2	62.5	-48.8	0	0	0	111.7	P38 E43 R44	P38-D40 VanDerWaalsContact C-N 3.31Å; P38-D40 WeakPolarHBondContact CB-OD1 3.39Å; P38-D40 PolarHBondContact O-N 2.84Å; D40-E43 PolarHBondContact O-N 3.18Å; D40-R44 WeakPolarHBondContact O-CB 3.44Å; D40-R44 PolarHBondContact O-N 3.21Å
41	F	59.1	Low	56.4	Low	48 Å²	48	88.5 Å²	88.5	21%	0.211	46%	0.462	C	S	.	.	H	α-helix	trans	-64.9	-48.5	175	-174.6	-88.3	0	0	0	111.3	L37 P38 S39 E43 R44 A45 V124 V127	L37-F41 HydrophobicContact CB-CD1 4.19Å; L37-F41 HydrophobicContact CD1-CD1 3.96Å; L37-F41 HydrophobicContact CD1-CE1 3.95Å; L37-F41 HydrophobicContact CG-CD1 4.46Å; P38-F41 HydrophobicContact CB-CB 4.22Å; P38-F41 WeakPolarHBondContact O-CA 3.36Å; P38-F41 WeakPolarHBondContact O-CB 3.44Å; P38-F41 PolarHBondContact O-N 3.18Å; S39-F41 VanDerWaalsContact C-N 3.31Å; S39-F41 PolarHBondContact O-N 2.66Å; F41-E43 VanDerWaalsContact C-N 3.28Å; F41-E43 PolarHBondContact O-N 2.96Å; F41-R44 PolarHBondContact O-N 3.29Å; F41-A45 HydrophobicContact CE1-CB 4.47Å; F41-A45 WeakPolarHBondContact O-CB 3.38Å; F41-A45 PolarHBondContact O-N 3.37Å; F41-V124 HydrophobicContact CE1-CG2 3.72Å; F41-V124 HydrophobicContact CZ-CB 4.04Å; F41-V124 HydrophobicContact CZ-CG1 4.01Å; F41-V124 HydrophobicContact CZ-CG2 3.41Å; F41-V124 VanDerWaalsContact CZ-CG2 3.41Å; F41-V127 HydrophobicContact CE2-CG1 4.44Å
42	R	60.2	Low	55.6	Low	114 Å²	114	92.1 Å²	92.1	43%	0.43	47%	0.465	S	S	.	.	H	α-helix	trans	-60.3	-41.2	177.2	-64.3	-173.7	-49.1	-145.5	0	111.3	E35 L37 P38 S39 A45 S46	E35-R42 PolarHBondContact O-NH1 3.06Å; L37-R42 HydrophobicContact CB-CG 3.92Å; P38-R42 PolarHBondContact O-N 2.95Å; S39-R42 PolarHBondContact O-N 3.46Å; R42-A45 PolarHBondContact O-N 2.94Å; R42-S46 VanDerWaalsContact O-CB 3.28Å; R42-S46 WeakPolarHBondContact O-CB 3.42Å; R42-S46 PolarHBondContact O-N 3.47Å; R42-S46 PolarHBondContact O-OG 3.02Å
43	E	62	Low	54.9	Low	90 Å²	90	98.3 Å²	98.3	42%	0.421	49%	0.487	S	S	.	.	H	α-helix	trans	-64.5	-45.8	176.3	-79	177.3	-157	0	0	111.5	S39 D40 F41 S46 R47	S39-E43 WeakPolarHBondContact O-CB 3.47Å; S39-E43 VanDerWaalsContact O-CG 3.26Å; S39-E43 WeakPolarHBondContact O-CG 3.18Å; S39-E43 PolarHBondContact O-N 3.32Å; D40-E43 PolarHBondContact O-N 3.18Å; F41-E43 VanDerWaalsContact C-N 3.28Å; F41-E43 PolarHBondContact O-N 2.96Å; E43-S46 VanDerWaalsContact CA-OG 3.31Å; E43-S46 WeakPolarHBondContact CA-OG 3.14Å; E43-S46 CarbonylContact O-C 3.6Å; E43-S46 PolarHBondContact O-N 3.37Å; E43-S46 PolarHBondContact O-OG 3.45Å; E43-R47 VanDerWaalsContact O-CB 3.24Å; E43-R47 WeakPolarHBondContact O-CB 3.32Å; E43-R47 VanDerWaalsContact O-CG 3.29Å; E43-R47 WeakPolarHBondContact O-CG 3.49Å; E43-R47 PolarHBondContact O-N 3.11Å; E43-R47 IonicContact OE2-CZ 3.73Å; E43-R47 IonicContact OE2-NH2 2.71Å; E43-R47 PolarHBondContact OE2-NH2 3.41Å
44	R	56.9	Low	54.1	Low	161 Å²	161	94.4 Å²	94.4	61%	0.608	48%	0.477	S	S	*	.	H	α-helix	trans	-62.9	-43.1	176.5	-175.2	175.9	-82.3	173	-5.6	111.4	D40 F41 S46 R47 A48	D40-R44 WeakPolarHBondContact O-CB 3.44Å; D40-R44 PolarHBondContact O-N 3.21Å; F41-R44 PolarHBondContact O-N 3.29Å; R44-S46 VanDerWaalsContact C-N 3.32Å; R44-S46 PolarHBondContact O-N 3.27Å; R44-R47 CarbonylContact O-C 3.55Å; R44-R47 PolarHBondContact O-N 2.92Å; R44-A48 PolarHBondContact O-N 3.12Å
45	A	57.3	Low	53.5	Low	14 Å²	14	96.2 Å²	96.2	12%	0.116	48%	0.484	C	S	.	.	H	α-helix	trans	-63.7	-35.6	174.2	0	0	0	0	0	112.5	F41 R42 A48	F41-A45 HydrophobicContact CE1-CB 4.47Å; F41-A45 WeakPolarHBondContact O-CB 3.38Å; F41-A45 PolarHBondContact O-N 3.37Å; R42-A45 PolarHBondContact O-N 2.94Å; A45-A48 WeakPolarHBondContact O-CB 3.25Å
46	S	55.5	Low	52.6	Low	95 Å²	95	97.5 Å²	97.5	66%	0.664	49%	0.486	S	S	*	.	H	α-helix	trans	-75.4	-31	175.4	71.6	0	0	0	0	113.5	R42 E43 R44	R42-S46 VanDerWaalsContact O-CB 3.28Å; R42-S46 WeakPolarHBondContact O-CB 3.42Å; R42-S46 PolarHBondContact O-N 3.47Å; R42-S46 PolarHBondContact O-OG 3.02Å; E43-S46 VanDerWaalsContact CA-OG 3.31Å; E43-S46 WeakPolarHBondContact CA-OG 3.14Å; E43-S46 CarbonylContact O-C 3.6Å; E43-S46 PolarHBondContact O-N 3.37Å; E43-S46 PolarHBondContact O-OG 3.45Å; R44-S46 VanDerWaalsContact C-N 3.32Å; R44-S46 PolarHBondContact O-N 3.27Å
47	R	55.5	Low	51.4	Low	171 Å²	171	101 Å²	101	65%	0.645	50%	0.496	S	S	*	.	H	α-helix	trans	-83	-14.1	175.9	-77.2	-173.1	-102.3	176.3	-9.2	112.6	E43 R44 V49	E43-R47 VanDerWaalsContact O-CB 3.24Å; E43-R47 WeakPolarHBondContact O-CB 3.32Å; E43-R47 VanDerWaalsContact O-CG 3.29Å; E43-R47 WeakPolarHBondContact O-CG 3.49Å; E43-R47 PolarHBondContact O-N 3.11Å; E43-R47 IonicContact OE2-CZ 3.73Å; E43-R47 IonicContact OE2-NH2 2.71Å; E43-R47 PolarHBondContact OE2-NH2 3.41Å; R44-R47 CarbonylContact O-C 3.55Å; R44-R47 PolarHBondContact O-N 2.92Å; R47-V49 PolarHBondContact O-N 3.05Å
48	A	49.4	Very low	50.3	Low	35 Å²	35	106.3 Å²	106.3	29%	0.289	52%	0.52	S	S	.	.			trans	-60.4	94.2	166.3	0	0	0	0	0	106.7	R44 A45 F50	R44-A48 PolarHBondContact O-N 3.12Å; A45-A48 WeakPolarHBondContact O-CB 3.25Å; A48-F50 VanDerWaalsContact C-N 3.28Å; A48-F50 WeakPolarHBondContact O-CD2 3.29Å; A48-F50 PolarHBondContact O-N 3.3Å
49	V	42.8	Very low	49.1	Very low	106 Å²	106	106 Å²	106	64%	0.642	52%	0.517	S	S	*	.			trans	-66.5	100	170.4	-171	0	0	0	0	104.4	R47 N51	R47-V49 PolarHBondContact O-N 3.05Å; V49-N51 WeakPolarHBondContact CG1-OD1 3.48Å; V49-N51 PolarHBondContact O-N 3.35Å
50	F	47.1	Very low	48.1	Very low	74 Å²	74	110.3 Å²	110.3	33%	0.325	53%	0.53	S	S	.	.			trans	-60.5	93.4	160.6	-59.5	-82.2	0	0	0	104.6	A48 K52 I54 P119 A123	A48-F50 VanDerWaalsContact C-N 3.28Å; A48-F50 WeakPolarHBondContact O-CD2 3.29Å; A48-F50 PolarHBondContact O-N 3.3Å; F50-K52 PolarHBondContact O-N 3.38Å; F50-I54 HydrophobicContact CB-CD1 4.16Å; F50-I54 HydrophobicContact CD1-CD1 3.94Å; F50-I54 HydrophobicContact CG-CD1 4.49Å; F50-P119 HydrophobicContact CE1-CB 4.44Å; F50-P119 HydrophobicContact CE2-CB 4.44Å; F50-P119 HydrophobicContact CZ-CB 3.98Å; F50-A123 HydrophobicContact CE1-CB 3.99Å; F50-A123 HydrophobicContact CZ-CB 3.66Å
51	N	38.7	Very low	47.3	Very low	144 Å²	144	111.3 Å²	111.3	77%	0.77	54%	0.535	S	S	*	.	S	Bend	trans	-69.7	26.1	-166.9	-97.6	-24	0	0	0	114.1	V49	V49-N51 WeakPolarHBondContact CG1-OD1 3.48Å; V49-N51 PolarHBondContact O-N 3.35Å
52	K	40.4	Very low	46.5	Very low	122 Å²	122	112.9 Å²	112.9	53%	0.53	55%	0.55	S	S	.	.	S	Bend	trans	-163.4	145.7	173.5	-100.2	167.8	179.8	-166.3	0	105.6	F50 I54 E60	F50-K52 PolarHBondContact O-N 3.38Å; K52-I54 PolarHBondContact O-N 2.95Å; K52-E60 IonicContact NZ-OE1 2.86Å; K52-E60 PolarHBondContact NZ-OE1 3.11Å; K52-E60 IonicContact NZ-OE2 3.94Å; K52-E60 PolarHBondContact NZ-OE2 3.15Å
53	E	40.3	Very low	45.8	Very low	200 Å²	200	110.6 Å²	110.6	94%	0.935	55%	0.548	S	S	*	.			trans	-54.2	95.5	151.8	-72.9	176.6	156.2	0	0	105.9	D55	E53-D55 VanDerWaalsContact C-N 3.29Å; E53-D55 PolarHBondContact O-N 2.6Å
54	I	40.5	Very low	45.1	Very low	69 Å²	69	109.7 Å²	109.7	35%	0.354	55%	0.546	S	S	.	.			trans	-72.3	96.9	176.7	-60	174.4	0	0	0	104.4	F50 K52 Y56	F50-I54 HydrophobicContact CB-CD1 4.16Å; F50-I54 HydrophobicContact CD1-CD1 3.94Å; F50-I54 HydrophobicContact CG-CD1 4.49Å; K52-I54 PolarHBondContact O-N 2.95Å; I54-Y56 HydrophobicContact CG2-CD1 4.36Å; I54-Y56 HydrophobicContact CG2-CE1 4.26Å; I54-Y56 WeakPolarHBondContact O-CD2 3.41Å; I54-Y56 WeakPolarHBondContact O-CE2 3.33Å; I54-Y56 PolarHBondContact O-N 3.01Å
55	D	39.6	Very low	44.8	Very low	88 Å²	88	104.9 Å²	104.9	47%	0.471	53%	0.531	S	S	.	.			trans	-64.1	104.5	164.1	-171.8	-4.8	0	0	0	106.8	E53 K57 E58	E53-D55 VanDerWaalsContact C-N 3.29Å; E53-D55 PolarHBondContact O-N 2.6Å; D55-K57 PolarHBondContact O-N 3.35Å; D55-K57 WeakPolarHBondContact OD1-CB 3.44Å; D55-K57 VanDerWaalsContact OD1-CG 3.31Å; D55-K57 WeakPolarHBondContact OD1-CG 3.25Å; D55-K57 PolarHBondContact OD1-N 2.86Å; D55-E58 CarbonylContact O-C 3.23Å; D55-E58 PolarHBondContact O-N 3.27Å
56	Y	39	Very low	44.8	Very low	117 Å²	117	110 Å²	110	46%	0.459	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.8	-8.6	177.2	-60.1	-80	0	0	0	112.8	I54 P119	I54-Y56 HydrophobicContact CG2-CD1 4.36Å; I54-Y56 HydrophobicContact CG2-CE1 4.26Å; I54-Y56 WeakPolarHBondContact O-CD2 3.41Å; I54-Y56 WeakPolarHBondContact O-CE2 3.33Å; I54-Y56 PolarHBondContact O-N 3.01Å; Y56-P119 WeakPolarHBondContact OH-CB 3.06Å; Y56-P119 WeakPolarHBondContact OH-CG 3.34Å
57	K	38.6	Very low	45.1	Very low	182 Å²	182	107.5 Å²	107.5	79%	0.791	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.4	171.4	-59.4	178.2	177.5	179.3	0	113.5	D55	D55-K57 PolarHBondContact O-N 3.35Å; D55-K57 WeakPolarHBondContact OD1-CB 3.44Å; D55-K57 VanDerWaalsContact OD1-CG 3.31Å; D55-K57 WeakPolarHBondContact OD1-CG 3.25Å; D55-K57 PolarHBondContact OD1-N 2.86Å
58	E	40.7	Very low	46	Very low	153 Å²	153	101.6 Å²	101.6	72%	0.715	51%	0.512	S	S	*	.	S	Bend	trans	-137.5	76.2	-178.6	-71.6	-169.5	168.9	0	0	111.6	D55 E60	D55-E58 CarbonylContact O-C 3.23Å; D55-E58 PolarHBondContact O-N 3.27Å; E58-E60 PolarHBondContact O-N 3.48Å; E58-E60 VanDerWaalsContact O-N 3.16Å
59	P	41.4	Very low	47.6	Very low	70 Å²	70	99.9 Å²	99.9	46%	0.455	50%	0.499	S	S	.	.			trans	-71.8	111.3	177.4	29.6	-33.1	0	0	0	110.7	L61	P59-L61 WeakPolarHBondContact CB-O 3.19Å; P59-L61 PolarHBondContact O-N 3.38Å
60	E	44.4	Very low	49.6	Very low	158 Å²	158	98.3 Å²	98.3	74%	0.738	49%	0.487	S	S	*	.	S	Bend	trans	-65	0.6	173.8	-74.3	-170.5	-173.8	0	0	114.2	K52 E58	K52-E60 IonicContact NZ-OE1 2.86Å; K52-E60 PolarHBondContact NZ-OE1 3.11Å; K52-E60 IonicContact NZ-OE2 3.94Å; K52-E60 PolarHBondContact NZ-OE2 3.15Å; E58-E60 PolarHBondContact O-N 3.48Å; E58-E60 VanDerWaalsContact O-N 3.16Å
61	L	44.9	Very low	51.4	Low	127 Å²	127	98.9 Å²	98.9	67%	0.665	49%	0.492	S	S	*	.	S	Bend	trans	-140.9	130.9	169.3	-77.1	158.5	0	0	0	105.9	P59 V63	P59-L61 WeakPolarHBondContact CB-O 3.19Å; P59-L61 PolarHBondContact O-N 3.38Å; L61-V63 PolarHBondContact O-N 2.88Å
62	P	42.3	Very low	53.7	Low	81 Å²	81	94.4 Å²	94.4	53%	0.526	47%	0.472	S	S	.	.			trans	-70.9	86.2	178.4	30.2	-31.6	0	0	0	107.8	I64	P62-I64 HydrophobicContact CB-CG1 4.28Å; P62-I64 PolarHBondContact O-N 2.93Å
63	V	45	Very low	55.7	Low	65 Å²	65	94.3 Å²	94.3	39%	0.394	48%	0.477	S	S	.	.			trans	-65	96.3	150.9	-174.7	0	0	0	0	102.3	L61 I65	L61-V63 PolarHBondContact O-N 2.88Å; V63-I65 HydrophobicContact CB-CG1 4.36Å; V63-I65 HydrophobicContact CG1-CG1 3.93Å; V63-I65 WeakPolarHBondContact O-CG1 3.44Å; V63-I65 PolarHBondContact O-N 3.27Å
64	I	46.4	Very low	57.8	Low	72 Å²	72	89.5 Å²	89.5	37%	0.369	45%	0.453	S	S	.	.			trans	-65.3	89	173.4	-60.2	174	0	0	0	104.8	P62 E66	P62-I64 HydrophobicContact CB-CG1 4.28Å; P62-I64 PolarHBondContact O-N 2.93Å; I64-E66 HydrophobicContact CG2-CB 3.67Å; I64-E66 HydrophobicContact CG2-CG 3.93Å
65	I	51.8	Low	59.4	Low	60 Å²	60	91.4 Å²	91.4	31%	0.308	46%	0.464	S	S	.	.			trans	-74.6	-11.5	169.6	-58.6	163	0	0	0	108.8	V63 L67 E115	V63-I65 HydrophobicContact CB-CG1 4.36Å; V63-I65 HydrophobicContact CG1-CG1 3.93Å; V63-I65 WeakPolarHBondContact O-CG1 3.44Å; V63-I65 PolarHBondContact O-N 3.27Å; I65-L67 PolarHBondContact O-N 2.82Å; I65-E115 HydrophobicContact CG2-CG 4.19Å
66	E	55.7	Low	60.9	Low	120 Å²	120	94 Å²	94	56%	0.561	48%	0.477	S	S	*	.	S	Bend	trans	-52.5	128.9	177.7	-52.2	-173.7	161.8	0	0	109.5	I64 I68	I64-E66 HydrophobicContact CG2-CB 3.67Å; I64-E66 HydrophobicContact CG2-CG 3.93Å; E66-I68 HydrophobicContact CB-CD1 4.01Å; E66-I68 HydrophobicContact CB-CG1 3.81Å; E66-I68 PolarHBondContact O-N 2.95Å; E66-I68 WeakPolarHBondContact OE2-CD1 3.27Å
67	L	63.2	Low	62.7	Low	43 Å²	43	89.2 Å²	89.2	23%	0.225	46%	0.459	C	S	.	.			trans	-70.6	54.2	177.7	-63.2	169.8	0	0	0	109.5	I65 N75 W77 R81 N113	I65-L67 PolarHBondContact O-N 2.82Å; L67-N75 CarbonylContact O-C 3.51Å; L67-N75 VanDerWaalsContact O-C 3.23Å; L67-N75 WeakPolarHBondContact O-CA 3.28Å; L67-N75 VanDerWaalsContact O-O 3.09Å; L67-W77 VanDerWaalsContact C-CH2 3.48Å; L67-W77 VanDerWaalsContact O-CH2 3.22Å; L67-W77 WeakPolarHBondContact O-CH2 3.22Å; L67-W77 WeakPolarHBondContact O-CZ3 3.15Å; L67-R81 HydrophobicContact CD2-CG 4.33Å; L67-R81 VanDerWaalsContact CD2-NH1 3.29Å; L67-N113 HydrophobicContact CD1-CB 4.08Å; L67-N113 HydrophobicContact CD2-CB 4.35Å
68	I	74.3	Confident	64.5	Low	47 Å²	47	86.3 Å²	86.3	24%	0.241	46%	0.46	C	S	.	.			trans	-107.8	124.4	-179.7	-53.2	-174.5	0	0	0	108.5	E66 N70 K74 N75	E66-I68 HydrophobicContact CB-CD1 4.01Å; E66-I68 HydrophobicContact CB-CG1 3.81Å; E66-I68 PolarHBondContact O-N 2.95Å; E66-I68 WeakPolarHBondContact OE2-CD1 3.27Å; I68-N70 PolarHBondContact O-N 3.45Å; I68-K74 CarbonylContact C-O 3.52Å; I68-K74 VanDerWaalsContact CA-O 3.31Å; I68-K74 WeakPolarHBondContact CA-O 3.44Å; I68-N75 HydrophobicContact CD1-CB 4.37Å; I68-N75 HydrophobicContact CG1-CB 3.76Å
69	C	83.3	Confident	66.2	Low	0 Å²	0	80.2 Å²	80.2	0%	0	44%	0.439	C	S	.	.			trans	-74.1	120.8	175.4	174.9	0	0	0	0	109.1	I71 C72 N73 K74 W77 V91 C93	C69-I71 PolarHBondContact O-N 3.2Å; C69-C72 VanDerWaalsContact CB-SG 3.53Å; C69-C72 PolarHBondContact O-N 3.19Å; C69-N73 WeakPolarHBondContact O-CA 3.49Å; C69-N73 PolarHBondContact O-N 2.94Å; C69-K74 PolarHBondContact N-O 3.18Å; C69-W77 HydrophobicContact CB-CE3 4.36Å; C69-W77 HydrophobicContact CB-CH2 4Å; C69-W77 HydrophobicContact CB-CZ3 3.74Å; C69-V91 CarbonylContact C-O 3.53Å; C69-V91 VanDerWaalsContact CA-O 3.28Å; C69-V91 WeakPolarHBondContact CA-O 3.49Å; C69-C93 HydrophobicContact CB-CB 4.01Å; C69-C93 PolarHBondContact SG-N 3.49Å; C69-C93 VanDerWaalsContact SG-N 3.45Å
70	N	83.3	Confident	67.9	Low	73 Å²	73	78.4 Å²	78.4	39%	0.39	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.4	-177.4	-67.6	69.5	0	0	0	114.8	I68 R89 V90 V91	I68-N70 PolarHBondContact O-N 3.45Å; N70-R89 VanDerWaalsContact CG-O 3.26Å; N70-R89 PolarHBondContact ND2-O 2.93Å; N70-R89 PolarHBondContact OD1-O 3.3Å; N70-V90 WeakPolarHBondContact OD1-CA 3.5Å; N70-V91 PolarHBondContact N-O 2.9Å; N70-V91 PolarHBondContact OD1-N 3.31Å; N70-V91 PolarHBondContact OD1-O 3.33Å
71	I	85.2	Confident	69.6	Low	86 Å²	86	71.1 Å²	71.1	44%	0.441	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-47	-176.7	-54.8	-61.9	0	0	0	111.4	C69 L92 C96 H101	C69-I71 PolarHBondContact O-N 3.2Å; I71-L92 HydrophobicContact CD1-CD2 4.47Å; I71-L92 HydrophobicContact CG1-CD2 3.51Å; I71-C96 HydrophobicContact CB-CB 4.21Å; I71-C96 HydrophobicContact CG1-CB 4.4Å; I71-H101 HydrophobicContact CD1-CB 4.27Å; I71-H101 HydrophobicContact CG1-CB 3.95Å
72	C	87	Confident	71.3	Confident	50 Å²	50	65 Å²	65	34%	0.338	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-3.8	-174.8	69.1	0	0	0	0	114.4	C69 K74	C69-C72 VanDerWaalsContact CB-SG 3.53Å; C69-C72 PolarHBondContact O-N 3.19Å; C72-K74 HydrophobicContact CB-CG 4.47Å; C72-K74 PolarHBondContact O-N 3.07Å; C72-K74 VanDerWaalsContact SG-CG 3.57Å
73	N	83.6	Confident	73	Confident	120 Å²	120	61.2 Å²	61.2	64%	0.642	33%	0.334	S	S	*	.			trans	53.2	15.7	-177.3	-61.5	-36.4	0	0	0	115.2	C69	C69-N73 WeakPolarHBondContact O-CA 3.49Å; C69-N73 PolarHBondContact O-N 2.94Å
74	K	82.8	Confident	74.5	Confident	98 Å²	98	58.1 Å²	58.1	43%	0.426	32%	0.315	S	S	.	.			trans	-61.2	140.1	166.4	-69.7	-179.2	-175.8	179.1	0	107.6	I68 C69 C72 W77 D95	I68-K74 CarbonylContact C-O 3.52Å; I68-K74 VanDerWaalsContact CA-O 3.31Å; I68-K74 WeakPolarHBondContact CA-O 3.44Å; C69-K74 PolarHBondContact N-O 3.18Å; C72-K74 HydrophobicContact CB-CG 4.47Å; C72-K74 PolarHBondContact O-N 3.07Å; C72-K74 VanDerWaalsContact SG-CG 3.57Å; K74-W77 HydrophobicContact CB-CE3 4.01Å; K74-W77 WeakPolarHBondContact O-CZ3 3.37Å; K74-D95 IonicContact NZ-OD2 2.99Å; K74-D95 PolarHBondContact NZ-OD2 3.27Å
75	N	74.9	Confident	75.8	Confident	110 Å²	110	55.6 Å²	55.6	59%	0.588	30%	0.303	S	S	*	.	S	Bend	trans	-118.2	-4.7	179.5	65.3	-7.4	0	0	0	114.2	L67 I68	L67-N75 CarbonylContact O-C 3.51Å; L67-N75 VanDerWaalsContact O-C 3.23Å; L67-N75 WeakPolarHBondContact O-CA 3.28Å; L67-N75 VanDerWaalsContact O-O 3.09Å; I68-N75 HydrophobicContact CD1-CB 4.37Å; I68-N75 HydrophobicContact CG1-CB 3.76Å
76	N	71.1	Confident	76.6	Confident	141 Å²	141	54.5 Å²	54.5	75%	0.754	30%	0.298	S	S	*	.	S	Bend	trans	-149.5	70.4	-175.6	-170.5	17.2	0	0	0	109.5
77	W	77.8	Confident	77.3	Confident	17 Å²	17	50.4 Å²	50.4	6%	0.064	28%	0.282	C	S	.	.			trans	-94.4	158.6	172	60.8	87.1	0	0	0	109.8	L67 C69 K74 D80 R81 V91 C93 P94 N113	L67-W77 VanDerWaalsContact C-CH2 3.48Å; L67-W77 VanDerWaalsContact O-CH2 3.22Å; L67-W77 WeakPolarHBondContact O-CH2 3.22Å; L67-W77 WeakPolarHBondContact O-CZ3 3.15Å; C69-W77 HydrophobicContact CB-CE3 4.36Å; C69-W77 HydrophobicContact CB-CH2 4Å; C69-W77 HydrophobicContact CB-CZ3 3.74Å; K74-W77 HydrophobicContact CB-CE3 4.01Å; K74-W77 WeakPolarHBondContact O-CZ3 3.37Å; W77-D80 PolarHBondContact NE1-O 2.99Å; W77-R81 HydrophobicContact CZ2-CG 4.38Å; W77-V91 HydrophobicContact CH2-CG1 3.96Å; W77-V91 HydrophobicContact CZ2-CG1 4.16Å; W77-C93 HydrophobicContact CB-CB 4.41Å; W77-C93 HydrophobicContact CD2-CB 3.45Å; W77-C93 VanDerWaalsContact CD2-CB 3.45Å; W77-C93 HydrophobicContact CE3-CB 3.89Å; W77-C93 HydrophobicContact CG-CB 3.7Å; W77-C93 HydrophobicContact CH2-CB 4.46Å; W77-C93 HydrophobicContact CZ2-CB 4.09Å; W77-C93 HydrophobicContact CZ3-CB 4.36Å; W77-P94 VanDerWaalsContact CD1-CD 3.41Å; W77-N113 PolarHBondContact NE1-OD1 3.22Å; W77-N113 PolarHBondContact O-ND2 3.3Å
78	C	74.8	Confident	77.3	Confident	121 Å²	121	51.5 Å²	51.5	82%	0.818	29%	0.292	S	S	*	.	S	Bend	trans	-90.6	145	170.7	-61	0	0	0	0	110.3
79	G	76.4	Confident	77.1	Confident	26 Å²	26	56.5 Å²	56.5	27%	0.268	31%	0.307	S	S	.	.	S	Bend	trans	109.5	-146.3	171.4	0	0	0	0	0	113.5	D112 N113	G79-D112 CarbonylContact O-C 3.54Å; G79-D112 WeakPolarHBondContact O-CA 3.46Å; G79-D112 PolarHBondContact O-N 3.34Å; G79-N113 PolarHBondContact O-N 3.34Å; G79-N113 PolarHBondContact O-OD1 3.37Å
80	D	78.6	Confident	76.7	Confident	31 Å²	31	57.8 Å²	57.8	17%	0.166	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-79.7	145	-171.9	-59.4	-28.8	0	0	0	111.9	W77 F82 P94 I109 T110 R111	W77-D80 PolarHBondContact NE1-O 2.99Å; D80-F82 HydrophobicContact CB-CE2 3.7Å; D80-F82 HydrophobicContact CB-CZ 3.85Å; D80-P94 WeakPolarHBondContact O-CD 3.47Å; D80-P94 WeakPolarHBondContact O-CG 3.24Å; D80-I109 HydrophobicContact CB-CG2 3.77Å; D80-T110 CarbonylContact C-O 3.48Å; D80-T110 WeakPolarHBondContact CA-O 3.28Å; D80-R111 WeakPolarHBondContact OD1-CA 3.43Å; D80-R111 WeakPolarHBondContact OD1-CG 3.36Å
81	R	79.7	Confident	76.5	Confident	5 Å²	5	54.5 Å²	54.5	2%	0.019	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.7	170.7	174.6	-179.4	108.5	169.5	6.8	108.9	L67 W77 T83 V91 I109 T110	L67-R81 HydrophobicContact CD2-CG 4.33Å; L67-R81 VanDerWaalsContact CD2-NH1 3.29Å; W77-R81 HydrophobicContact CZ2-CG 4.38Å; R81-T83 PolarHBondContact NE-OG1 3.01Å; R81-V91 HydrophobicContact CG-CG1 3.71Å; R81-I109 VanDerWaalsContact O-CA 3.26Å; R81-I109 WeakPolarHBondContact O-CA 3.33Å; R81-T110 WeakPolarHBondContact CB-OG1 3.38Å; R81-T110 PolarHBondContact N-O 2.8Å; R81-T110 PolarHBondContact O-N 3.44Å
82	F	80	Confident	76.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125	177.6	-57.4	-100.1	0	0	0	107.6	P26 Y29 D80 V91 L92 P94 F97 L108 I109	P26-F82 HydrophobicContact CB-CZ 4.09Å; Y29-F82 HydrophobicContact CE2-CE1 4.3Å; D80-F82 HydrophobicContact CB-CE2 3.7Å; D80-F82 HydrophobicContact CB-CZ 3.85Å; F82-V91 CarbonylContact O-C 3.58Å; F82-V91 WeakPolarHBondContact O-CA 3.31Å; F82-L92 HydrophobicContact CB-CB 4.13Å; F82-L92 PolarHBondContact N-O 3.13Å; F82-L92 VanDerWaalsContact N-O 3.07Å; F82-L92 PolarHBondContact O-N 3.4Å; F82-P94 HydrophobicContact CE2-CB 4.07Å; F82-P94 HydrophobicContact CE2-CG 4.02Å; F82-F97 HydrophobicContact CB-CB 4.35Å; F82-F97 HydrophobicContact CB-CD2 4.01Å; F82-F97 HydrophobicContact CB-CG 4.31Å; F82-F97 HydrophobicContact CD1-CB 4.01Å; F82-F97 AromaticContact CD1-CD1 3.58Å; F82-F97 HydrophobicContact CD1-CD1 3.58Å; F82-F97 AromaticContact CD1-CD2 3.34Å; F82-F97 HydrophobicContact CD1-CD2 3.34Å; F82-F97 AromaticContact CD1-CE1 3.79Å; F82-F97 HydrophobicContact CD1-CE1 3.79Å; F82-F97 AromaticContact CD1-CE2 3.55Å; F82-F97 HydrophobicContact CD1-CE2 3.55Å; F82-F97 AromaticContact CD1-CG 3.33Å; F82-F97 HydrophobicContact CD1-CG 3.33Å; F82-F97 AromaticContact CD1-CZ 3.74Å; F82-F97 HydrophobicContact CD1-CZ 3.74Å; F82-F97 HydrophobicContact CD2-CB 3.86Å; F82-F97 HydrophobicContact CD2-CG 4.1Å; F82-F97 HydrophobicContact CE1-CB 4.32Å; F82-F97 AromaticContact CE1-CD1 3.31Å; F82-F97 HydrophobicContact CE1-CD1 3.31Å; F82-F97 AromaticContact CE1-CD2 4Å; F82-F97 HydrophobicContact CE1-CD2 4Å; F82-F97 AromaticContact CE1-CE1 3.42Å; F82-F97 HydrophobicContact CE1-CE1 3.42Å; F82-F97 VanDerWaalsContact CE1-CE1 3.42Å; F82-F97 HydrophobicContact CE1-CE2 4.08Å; F82-F97 AromaticContact CE1-CG 3.6Å; F82-F97 HydrophobicContact CE1-CG 3.6Å; F82-F97 AromaticContact CE1-CZ 3.78Å; F82-F97 HydrophobicContact CE1-CZ 3.78Å; F82-F97 HydrophobicContact CE2-CB 4.21Å; F82-F97 HydrophobicContact CE2-CD1 4.35Å; F82-F97 HydrophobicContact CE2-CG 4.34Å; F82-F97 HydrophobicContact CG-CB 3.8Å; F82-F97 HydrophobicContact CG-CD1 4.23Å; F82-F97 AromaticContact CG-CD2 3.74Å; F82-F97 HydrophobicContact CG-CD2 3.74Å; F82-F97 HydrophobicContact CG-CE2 4.36Å; F82-F97 AromaticContact CG-CG 3.64Å; F82-F97 HydrophobicContact CG-CG 3.64Å; F82-F97 HydrophobicContact CZ-CB 4.44Å; F82-F97 AromaticContact CZ-CD1 3.76Å; F82-F97 HydrophobicContact CZ-CD1 3.76Å; F82-F97 HydrophobicContact CZ-CE1 4.21Å; F82-F97 HydrophobicContact CZ-CG 4.12Å; F82-L108 CarbonylContact C-O 3.55Å; F82-L108 WeakPolarHBondContact CA-O 2.98Å; F82-I109 HydrophobicContact CD1-CB 4.45Å; F82-I109 HydrophobicContact CD1-CD1 3.53Å; F82-I109 HydrophobicContact CD1-CG1 3.46Å; F82-I109 VanDerWaalsContact CD1-CG1 3.46Å; F82-I109 HydrophobicContact CD1-CG2 4.28Å; F82-I109 HydrophobicContact CE1-CD1 3.39Å; F82-I109 HydrophobicContact CE1-CG1 3.77Å; F82-I109 HydrophobicContact CE1-CG2 4.07Å; F82-I109 HydrophobicContact CG-CG1 4.28Å; F82-I109 HydrophobicContact CZ-CD1 4.49Å; F82-I109 HydrophobicContact CZ-CG2 4.34Å
83	T	77.6	Confident	76.4	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.5	179.5	-49.8	0	0	0	0	109.7	R81 V85 V90 V91 M107 L108 F116	R81-T83 PolarHBondContact NE-OG1 3.01Å; T83-V85 PolarHBondContact O-N 3.39Å; T83-V90 WeakPolarHBondContact CA-O 3.26Å; T83-V90 WeakPolarHBondContact CG2-O 3.32Å; T83-V91 HydrophobicContact CG2-CG2 3.94Å; T83-M107 CarbonylContact O-C 3.5Å; T83-M107 WeakPolarHBondContact O-CA 3.42Å; T83-L108 PolarHBondContact N-O 2.84Å; T83-L108 PolarHBondContact O-N 2.79Å; T83-F116 HydrophobicContact CG2-CE2 3.67Å; T83-F116 HydrophobicContact CG2-CZ 4.21Å
84	C	78	Confident	76.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	138.4	178.4	-172.5	0	0	0	0	110.8	I86 C87 V90 H102 H105 M107 K125	C84-I86 PolarHBondContact SG-N 3.36Å; C84-C87 HydrophobicContact CB-CB 3.9Å; C84-C87 WeakPolarHBondContact CB-O 3.32Å; C84-C87 PolarHBondContact SG-N 3.43Å; C84-V90 HydrophobicContact CB-CB 3.93Å; C84-V90 HydrophobicContact CB-CG1 4.4Å; C84-V90 PolarHBondContact N-O 2.93Å; C84-H102 WeakPolarHBondContact CB-NE2 3.48Å; C84-H102 PolarHBondContact SG-NE2 3.34Å; C84-H105 WeakPolarHBondContact SG-CB 3.39Å; C84-M107 WeakPolarHBondContact CA-SD 3.46Å; C84-M107 HydrophobicContact CB-CE 3.52Å; C84-M107 HydrophobicContact CB-SD 3.81Å; C84-M107 PolarHBondContact N-SD 2.84Å; C84-M107 VanDerWaalsContact N-SD 3.45Å; C84-M107 VanDerWaalsContact SG-CE 3.51Å; C84-K125 WeakPolarHBondContact O-CE 2.95Å
85	V	73.3	Confident	76.6	Confident	19 Å²	19	43.4 Å²	43.4	12%	0.115	24%	0.242	C	C	.	.	S	Bend	trans	-74.8	-39.2	173.9	-175.3	0	0	0	0	110.4	T83 P106 L108 V124 K125 A128	T83-V85 PolarHBondContact O-N 3.39Å; V85-P106 HydrophobicContact CB-CG 4.21Å; V85-P106 HydrophobicContact CG2-CB 4.38Å; V85-P106 HydrophobicContact CG2-CG 4.45Å; V85-P106 VanDerWaalsContact CG2-O 3.32Å; V85-P106 WeakPolarHBondContact CG2-O 3.32Å; V85-P106 PolarHBondContact N-O 3.09Å; V85-L108 HydrophobicContact CG2-CB 4.38Å; V85-L108 HydrophobicContact CG2-CD1 3.94Å; V85-L108 HydrophobicContact CG2-CG 3.63Å; V85-V124 HydrophobicContact CG1-CG1 4.07Å; V85-K125 WeakPolarHBondContact O-CA 3.34Å; V85-A128 HydrophobicContact CG1-CB 3.45Å; V85-A128 VanDerWaalsContact CG1-CB 3.45Å
86	I	68.5	Low	77.2	Confident	38 Å²	38	38.4 Å²	38.4	20%	0.195	22%	0.216	C	C	.	.	S	Bend	trans	-84.7	-44.1	-176.1	-59.2	177.4	0	0	0	111.3	C84 P88 H105 P106	C84-I86 PolarHBondContact SG-N 3.36Å; I86-P88 VanDerWaalsContact O-CD 3.28Å; I86-P88 WeakPolarHBondContact O-CD 3.35Å; I86-H105 HydrophobicContact CB-CB 4.4Å; I86-H105 HydrophobicContact CD1-CB 4.07Å; I86-H105 HydrophobicContact CG1-CB 4.44Å; I86-P106 HydrophobicContact CD1-CG 4.37Å; I86-P106 HydrophobicContact CG1-CG 4.48Å
87	C	70.5	Confident	77.9	Confident	34 Å²	34	31.9 Å²	31.9	23%	0.23	18%	0.181	C	C	.	.			trans	-95.4	105.2	-177.4	-60.6	0	0	0	0	110.6	C84 R89 V90 H102 H105	C84-C87 HydrophobicContact CB-CB 3.9Å; C84-C87 WeakPolarHBondContact CB-O 3.32Å; C84-C87 PolarHBondContact SG-N 3.43Å; C87-R89 PolarHBondContact O-N 2.99Å; C87-R89 VanDerWaalsContact O-N 3.08Å; C87-V90 HydrophobicContact CB-CB 3.99Å; C87-V90 HydrophobicContact CB-CG2 3.57Å; C87-V90 PolarHBondContact O-N 3.37Å; C87-V90 VanDerWaalsContact O-N 3.15Å; C87-H102 PolarHBondContact SG-CE1 3.48Å; C87-H105 PolarHBondContact SG-CE1 3.49Å; C87-H105 PolarHBondContact SG-ND1 2.76Å
88	P	63.4	Low	78.1	Confident	66 Å²	66	37.7 Å²	37.7	43%	0.429	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.5	-170	22.9	-33.8	0	0	0	113.6	I86 K125	I86-P88 VanDerWaalsContact O-CD 3.28Å; I86-P88 WeakPolarHBondContact O-CD 3.35Å; P88-K125 PolarHBondContact O-NZ 2.96Å
89	R	68.5	Low	78.6	Confident	152 Å²	152	39 Å²	39	57%	0.574	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-6.9	-176.9	-65.9	-177.8	176	168.4	-0.3	114.5	N70 C87	N70-R89 VanDerWaalsContact CG-O 3.26Å; N70-R89 PolarHBondContact ND2-O 2.93Å; N70-R89 PolarHBondContact OD1-O 3.3Å; C87-R89 PolarHBondContact O-N 2.99Å; C87-R89 VanDerWaalsContact O-N 3.08Å
90	V	75.3	Confident	78.7	Confident	27 Å²	27	39.4 Å²	39.4	16%	0.164	19%	0.194	C	C	.	.			trans	-93.5	110.1	-174.1	-179	0	0	0	0	110.7	N70 T83 C84 C87 L92 H102	N70-V90 WeakPolarHBondContact OD1-CA 3.5Å; T83-V90 WeakPolarHBondContact CA-O 3.26Å; T83-V90 WeakPolarHBondContact CG2-O 3.32Å; C84-V90 HydrophobicContact CB-CB 3.93Å; C84-V90 HydrophobicContact CB-CG1 4.4Å; C84-V90 PolarHBondContact N-O 2.93Å; C87-V90 HydrophobicContact CB-CB 3.99Å; C87-V90 HydrophobicContact CB-CG2 3.57Å; C87-V90 PolarHBondContact O-N 3.37Å; C87-V90 VanDerWaalsContact O-N 3.15Å; V90-L92 HydrophobicContact CG1-CD2 4.26Å; V90-L92 HydrophobicContact CG1-CG 4.2Å; V90-H102 HydrophobicContact CG1-CB 4.38Å; V90-H102 VanDerWaalsContact CG1-CD2 3.45Å; V90-H102 WeakPolarHBondContact CG1-CD2 3.49Å
91	V	80	Confident	78.9	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.024	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.8	170.5	-176.3	0	0	0	0	108.3	C69 N70 W77 R81 F82 T83	C69-V91 CarbonylContact C-O 3.53Å; C69-V91 VanDerWaalsContact CA-O 3.28Å; C69-V91 WeakPolarHBondContact CA-O 3.49Å; N70-V91 PolarHBondContact N-O 2.9Å; N70-V91 PolarHBondContact OD1-N 3.31Å; N70-V91 PolarHBondContact OD1-O 3.33Å; W77-V91 HydrophobicContact CH2-CG1 3.96Å; W77-V91 HydrophobicContact CZ2-CG1 4.16Å; R81-V91 HydrophobicContact CG-CG1 3.71Å; F82-V91 CarbonylContact O-C 3.58Å; F82-V91 WeakPolarHBondContact O-CA 3.31Å; T83-V91 HydrophobicContact CG2-CG2 3.94Å
92	L	83.4	Confident	79	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.1	179.3	-57	175.6	0	0	0	110.4	I71 F82 V90 C96 F97 H101 H102	I71-L92 HydrophobicContact CD1-CD2 4.47Å; I71-L92 HydrophobicContact CG1-CD2 3.51Å; F82-L92 HydrophobicContact CB-CB 4.13Å; F82-L92 PolarHBondContact N-O 3.13Å; F82-L92 VanDerWaalsContact N-O 3.07Å; F82-L92 PolarHBondContact O-N 3.4Å; V90-L92 HydrophobicContact CG1-CD2 4.26Å; V90-L92 HydrophobicContact CG1-CG 4.2Å; L92-C96 HydrophobicContact CB-CB 4.4Å; L92-C96 HydrophobicContact CD2-CB 4.21Å; L92-F97 HydrophobicContact CB-CB 4.34Å; L92-H101 WeakPolarHBondContact CD1-O 3.45Å; L92-H102 HydrophobicContact CD1-CB 4.12Å
93	C	86.9	Confident	78.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.			trans	-80.4	165.5	165.8	71.5	0	0	0	0	110.5	C69 W77 D95 C96 F97	C69-C93 HydrophobicContact CB-CB 4.01Å; C69-C93 PolarHBondContact SG-N 3.49Å; C69-C93 VanDerWaalsContact SG-N 3.45Å; W77-C93 HydrophobicContact CB-CB 4.41Å; W77-C93 HydrophobicContact CD2-CB 3.45Å; W77-C93 VanDerWaalsContact CD2-CB 3.45Å; W77-C93 HydrophobicContact CE3-CB 3.89Å; W77-C93 HydrophobicContact CG-CB 3.7Å; W77-C93 HydrophobicContact CH2-CB 4.46Å; W77-C93 HydrophobicContact CZ2-CB 4.09Å; W77-C93 HydrophobicContact CZ3-CB 4.36Å; C93-D95 PolarHBondContact O-N 3.42Å; C93-C96 PolarHBondContact O-N 3.13Å; C93-C96 VanDerWaalsContact O-N 3.1Å; C93-F97 WeakPolarHBondContact O-CB 3.29Å; C93-F97 PolarHBondContact O-N 3.46Å
94	P	84.3	Confident	78.8	Confident	33 Å²	33	50.2 Å²	50.2	21%	0.214	25%	0.245	C	C	.	.	H	α-helix	trans	-55.1	-38.6	-180	-23.9	31.3	0	0	0	113.4	W77 D80 F82 K98	W77-P94 VanDerWaalsContact CD1-CD 3.41Å; D80-P94 WeakPolarHBondContact O-CD 3.47Å; D80-P94 WeakPolarHBondContact O-CG 3.24Å; F82-P94 HydrophobicContact CE2-CB 4.07Å; F82-P94 HydrophobicContact CE2-CG 4.02Å; P94-K98 VanDerWaalsContact O-CB 3.25Å; P94-K98 WeakPolarHBondContact O-CB 3.07Å; P94-K98 PolarHBondContact O-N 3.48Å
95	D	86.1	Confident	78.7	Confident	87 Å²	87	52.4 Å²	52.4	47%	0.465	26%	0.255	S	S	.	.	H	α-helix	trans	-63	-44	179.2	-62.7	-30.7	0	0	0	111.8	K74 C93 K99	K74-D95 IonicContact NZ-OD2 2.99Å; K74-D95 PolarHBondContact NZ-OD2 3.27Å; C93-D95 PolarHBondContact O-N 3.42Å; D95-K99 WeakPolarHBondContact O-CG 3.08Å; D95-K99 PolarHBondContact O-N 3.19Å
96	C	87.6	Confident	78.8	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-75.8	-38.1	-177.1	-67.3	0	0	0	0	111.2	I71 L92 C93 K99 H101	I71-C96 HydrophobicContact CB-CB 4.21Å; I71-C96 HydrophobicContact CG1-CB 4.4Å; L92-C96 HydrophobicContact CB-CB 4.4Å; L92-C96 HydrophobicContact CD2-CB 4.21Å; C93-C96 PolarHBondContact O-N 3.13Å; C93-C96 VanDerWaalsContact O-N 3.1Å; C96-K99 PolarHBondContact O-N 3.48Å; C96-H101 WeakPolarHBondContact O-CB 3.45Å; C96-H101 PolarHBondContact O-CD2 3.43Å; C96-H101 VanDerWaalsContact O-CD2 3.25Å; C96-H101 PolarHBondContact O-N 2.91Å
97	F	84.4	Confident	79.3	Confident	3 Å²	3	51.9 Å²	51.9	1%	0.013	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-43.2	174.1	177.8	-95.4	0	0	0	111.9	A15 K24 Y29 F82 L92 C93 K99 N100 M107	A15-F97 HydrophobicContact CB-CE2 4.35Å; A15-F97 HydrophobicContact CB-CZ 4.04Å; K24-F97 HydrophobicContact CB-CD1 4.22Å; K24-F97 HydrophobicContact CB-CE1 3.51Å; K24-F97 HydrophobicContact CB-CZ 3.93Å; K24-F97 HydrophobicContact CD-CD2 4.4Å; K24-F97 HydrophobicContact CD-CE1 3.85Å; K24-F97 HydrophobicContact CD-CE2 3.7Å; K24-F97 HydrophobicContact CD-CZ 3.4Å; K24-F97 VanDerWaalsContact CD-CZ 3.4Å; K24-F97 HydrophobicContact CG-CE1 4.24Å; K24-F97 HydrophobicContact CG-CZ 4.17Å; Y29-F97 WeakPolarHBondContact OH-CE1 3.12Å; Y29-F97 WeakPolarHBondContact OH-CZ 3.45Å; F82-F97 HydrophobicContact CB-CB 4.35Å; F82-F97 HydrophobicContact CB-CD2 4.01Å; F82-F97 HydrophobicContact CB-CG 4.31Å; F82-F97 HydrophobicContact CD1-CB 4.01Å; F82-F97 AromaticContact CD1-CD1 3.58Å; F82-F97 HydrophobicContact CD1-CD1 3.58Å; F82-F97 AromaticContact CD1-CD2 3.34Å; F82-F97 HydrophobicContact CD1-CD2 3.34Å; F82-F97 AromaticContact CD1-CE1 3.79Å; F82-F97 HydrophobicContact CD1-CE1 3.79Å; F82-F97 AromaticContact CD1-CE2 3.55Å; F82-F97 HydrophobicContact CD1-CE2 3.55Å; F82-F97 AromaticContact CD1-CG 3.33Å; F82-F97 HydrophobicContact CD1-CG 3.33Å; F82-F97 AromaticContact CD1-CZ 3.74Å; F82-F97 HydrophobicContact CD1-CZ 3.74Å; F82-F97 HydrophobicContact CD2-CB 3.86Å; F82-F97 HydrophobicContact CD2-CG 4.1Å; F82-F97 HydrophobicContact CE1-CB 4.32Å; F82-F97 AromaticContact CE1-CD1 3.31Å; F82-F97 HydrophobicContact CE1-CD1 3.31Å; F82-F97 AromaticContact CE1-CD2 4Å; F82-F97 HydrophobicContact CE1-CD2 4Å; F82-F97 AromaticContact CE1-CE1 3.42Å; F82-F97 HydrophobicContact CE1-CE1 3.42Å; F82-F97 VanDerWaalsContact CE1-CE1 3.42Å; F82-F97 HydrophobicContact CE1-CE2 4.08Å; F82-F97 AromaticContact CE1-CG 3.6Å; F82-F97 HydrophobicContact CE1-CG 3.6Å; F82-F97 AromaticContact CE1-CZ 3.78Å; F82-F97 HydrophobicContact CE1-CZ 3.78Å; F82-F97 HydrophobicContact CE2-CB 4.21Å; F82-F97 HydrophobicContact CE2-CD1 4.35Å; F82-F97 HydrophobicContact CE2-CG 4.34Å; F82-F97 HydrophobicContact CG-CB 3.8Å; F82-F97 HydrophobicContact CG-CD1 4.23Å; F82-F97 AromaticContact CG-CD2 3.74Å; F82-F97 HydrophobicContact CG-CD2 3.74Å; F82-F97 HydrophobicContact CG-CE2 4.36Å; F82-F97 AromaticContact CG-CG 3.64Å; F82-F97 HydrophobicContact CG-CG 3.64Å; F82-F97 HydrophobicContact CZ-CB 4.44Å; F82-F97 AromaticContact CZ-CD1 3.76Å; F82-F97 HydrophobicContact CZ-CD1 3.76Å; F82-F97 HydrophobicContact CZ-CE1 4.21Å; F82-F97 HydrophobicContact CZ-CG 4.12Å; L92-F97 HydrophobicContact CB-CB 4.34Å; C93-F97 WeakPolarHBondContact O-CB 3.29Å; C93-F97 PolarHBondContact O-N 3.46Å; F97-K99 PolarHBondContact O-N 3.03Å; F97-N100 PolarHBondContact O-N 3.25Å; F97-M107 HydrophobicContact CD2-CG 4.2Å; F97-M107 HydrophobicContact CE2-CB 4.27Å; F97-M107 HydrophobicContact CE2-CG 3.82Å
98	K	83.8	Confident	79.5	Confident	139 Å²	139	51 Å²	51	60%	0.604	25%	0.247	S	C	*	.	H	α-helix	trans	-63.9	-26.8	177.4	-173	176.6	180	-178.7	0	113.4	P94 N100	P94-K98 VanDerWaalsContact O-CB 3.25Å; P94-K98 WeakPolarHBondContact O-CB 3.07Å; P94-K98 PolarHBondContact O-N 3.48Å; K98-N100 PolarHBondContact O-N 3Å
99	K	83.8	Confident	80.3	Confident	148 Å²	148	48 Å²	48	64%	0.643	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	9.7	175	-72.3	176.6	-178.3	-176.7	0	113.6	D95 C96 F97 H101	D95-K99 WeakPolarHBondContact O-CG 3.08Å; D95-K99 PolarHBondContact O-N 3.19Å; C96-K99 PolarHBondContact O-N 3.48Å; F97-K99 PolarHBondContact O-N 3.03Å; K99-H101 PolarHBondContact O-N 3.42Å
100	N	79.9	Confident	80.4	Confident	35 Å²	35	40.7 Å²	40.7	19%	0.187	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	28.3	-177.7	-67.9	-23.1	0	0	0	113.6	L20 E22 K24 F97 K98 H102	L20-N100 PolarHBondContact O-ND2 3.12Å; E22-N100 PolarHBondContact O-ND2 3.2Å; K24-N100 WeakPolarHBondContact CG-OD1 3.27Å; F97-N100 PolarHBondContact O-N 3.25Å; K98-N100 PolarHBondContact O-N 3Å; N100-H102 PolarHBondContact O-N 3.3Å
101	H	82	Confident	80.2	Confident	70 Å²	70	44.4 Å²	44.4	32%	0.324	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	128.4	168.1	-64.9	-59.1	0	0	0	109.1	I71 L92 C96 K99	I71-H101 HydrophobicContact CD1-CB 4.27Å; I71-H101 HydrophobicContact CG1-CB 3.95Å; L92-H101 WeakPolarHBondContact CD1-O 3.45Å; C96-H101 WeakPolarHBondContact O-CB 3.45Å; C96-H101 PolarHBondContact O-CD2 3.43Å; C96-H101 VanDerWaalsContact O-CD2 3.25Å; C96-H101 PolarHBondContact O-N 2.91Å; K99-H101 PolarHBondContact O-N 3.42Å
102	H	81.4	Confident	79.7	Confident	48 Å²	48	50.6 Å²	50.6	22%	0.222	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	49.6	-179.6	-160.2	57.5	0	0	0	113.2	C84 C87 V90 L92 N100 H105 M107	C84-H102 WeakPolarHBondContact CB-NE2 3.48Å; C84-H102 PolarHBondContact SG-NE2 3.34Å; C87-H102 PolarHBondContact SG-CE1 3.48Å; V90-H102 HydrophobicContact CG1-CB 4.38Å; V90-H102 VanDerWaalsContact CG1-CD2 3.45Å; V90-H102 WeakPolarHBondContact CG1-CD2 3.49Å; L92-H102 HydrophobicContact CD1-CB 4.12Å; N100-H102 PolarHBondContact O-N 3.3Å; H102-H105 AromaticContact CE1-CE1 3.9Å; H102-H105 AromaticContact CE1-CG 3.95Å; H102-H105 AromaticContact CE1-ND1 3.19Å; H102-H105 PolarHBondContact CE1-ND1 2.95Å; H102-H105 AromaticContact NE2-ND1 3.42Å; H102-H105 PolarHBondContact NE2-ND1 3.38Å; H102-M107 WeakPolarHBondContact CD2-CE 3.44Å
103	S	78.5	Confident	78.8	Confident	6 Å²	6	52.1 Å²	52.1	4%	0.042	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-19.9	-178.2	48.6	0	0	0	0	114.6	L20 K24 H105	L20-S103 VanDerWaalsContact CD2-OG 3.25Å; L20-S103 WeakPolarHBondContact CD2-OG 3.27Å; K24-S103 PolarHBondContact NZ-O 3.18Å; S103-H105 VanDerWaalsContact C-N 3.25Å; S103-H105 PolarHBondContact O-N 3.11Å
104	E	75.1	Confident	77.8	Confident	140 Å²	140	53.6 Å²	53.6	65%	0.654	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.2	-174.3	-67.3	162.5	-168.6	0	0	113.4	V17	V17-E104 WeakPolarHBondContact CG2-O 3.46Å
105	H	77.1	Confident	76.7	Confident	45 Å²	45	57.5 Å²	57.5	21%	0.208	28%	0.28	C	S	.	.	S	Bend	trans	-113.1	149.9	-175.5	-63.7	165.7	0	0	0	112.3	C84 I86 C87 H102 S103 M107	C84-H105 WeakPolarHBondContact SG-CB 3.39Å; I86-H105 HydrophobicContact CB-CB 4.4Å; I86-H105 HydrophobicContact CD1-CB 4.07Å; I86-H105 HydrophobicContact CG1-CB 4.44Å; C87-H105 PolarHBondContact SG-CE1 3.49Å; C87-H105 PolarHBondContact SG-ND1 2.76Å; H102-H105 AromaticContact CE1-CE1 3.9Å; H102-H105 AromaticContact CE1-CG 3.95Å; H102-H105 AromaticContact CE1-ND1 3.19Å; H102-H105 PolarHBondContact CE1-ND1 2.95Å; H102-H105 AromaticContact NE2-ND1 3.42Å; H102-H105 PolarHBondContact NE2-ND1 3.38Å; S103-H105 VanDerWaalsContact C-N 3.25Å; S103-H105 PolarHBondContact O-N 3.11Å; H105-M107 HydrophobicContact CB-CE 3.8Å; H105-M107 WeakPolarHBondContact O-CE 3.47Å
106	P	75	Confident	75.6	Confident	45 Å²	45	54.6 Å²	54.6	29%	0.292	26%	0.263	S	S	.	.			trans	-65.5	139.5	171.8	25.4	-30.9	0	0	0	110.4	V85 I86	V85-P106 HydrophobicContact CB-CG 4.21Å; V85-P106 HydrophobicContact CG2-CB 4.38Å; V85-P106 HydrophobicContact CG2-CG 4.45Å; V85-P106 VanDerWaalsContact CG2-O 3.32Å; V85-P106 WeakPolarHBondContact CG2-O 3.32Å; V85-P106 PolarHBondContact N-O 3.09Å; I86-P106 HydrophobicContact CD1-CG 4.37Å; I86-P106 HydrophobicContact CG1-CG 4.48Å
107	M	78.2	Confident	73.9	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.9	178.5	-59	-68.8	119.6	0	0	110.3	A14 A15 T83 C84 F97 H102 H105	A14-M107 WeakPolarHBondContact CA-O 3.48Å; A15-M107 HydrophobicContact CB-CB 4.18Å; A15-M107 PolarHBondContact N-O 3.49Å; A15-M107 PolarHBondContact O-N 3.2Å; T83-M107 CarbonylContact O-C 3.5Å; T83-M107 WeakPolarHBondContact O-CA 3.42Å; C84-M107 WeakPolarHBondContact CA-SD 3.46Å; C84-M107 HydrophobicContact CB-CE 3.52Å; C84-M107 HydrophobicContact CB-SD 3.81Å; C84-M107 PolarHBondContact N-SD 2.84Å; C84-M107 VanDerWaalsContact N-SD 3.45Å; C84-M107 VanDerWaalsContact SG-CE 3.51Å; F97-M107 HydrophobicContact CD2-CG 4.2Å; F97-M107 HydrophobicContact CE2-CB 4.27Å; F97-M107 HydrophobicContact CE2-CG 3.82Å; H102-M107 WeakPolarHBondContact CD2-CE 3.44Å; H105-M107 HydrophobicContact CB-CE 3.8Å; H105-M107 WeakPolarHBondContact O-CE 3.47Å
108	L	76.1	Confident	72.5	Confident	17 Å²	17	58.6 Å²	58.6	9%	0.089	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	140	161.3	-77.8	165.3	0	0	0	109.7	L12 F13 F82 T83 V85 F116 L121	L12-L108 HydrophobicContact CB-CD2 4.43Å; F13-L108 CarbonylContact O-C 3.58Å; F13-L108 WeakPolarHBondContact O-CA 3.42Å; F82-L108 CarbonylContact C-O 3.55Å; F82-L108 WeakPolarHBondContact CA-O 2.98Å; T83-L108 PolarHBondContact N-O 2.84Å; T83-L108 PolarHBondContact O-N 2.79Å; V85-L108 HydrophobicContact CG2-CB 4.38Å; V85-L108 HydrophobicContact CG2-CD1 3.94Å; V85-L108 HydrophobicContact CG2-CG 3.63Å; L108-F116 HydrophobicContact CB-CE1 3.83Å; L108-F116 HydrophobicContact CB-CZ 3.64Å; L108-F116 HydrophobicContact CD1-CE1 4.13Å; L108-F116 HydrophobicContact CD1-CZ 4.07Å; L108-L121 HydrophobicContact CD1-CD2 4.14Å
109	I	78.2	Confident	71	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.3	-175.2	-52.5	169	0	0	0	108.8	F13 A15 Y29 D80 R81 F82	F13-I109 HydrophobicContact CB-CB 3.94Å; F13-I109 PolarHBondContact N-O 3.35Å; F13-I109 VanDerWaalsContact N-O 3.12Å; F13-I109 PolarHBondContact O-N 2.85Å; A15-I109 HydrophobicContact CB-CD1 3.98Å; Y29-I109 HydrophobicContact CD1-CD1 3.89Å; Y29-I109 HydrophobicContact CD2-CD1 3.35Å; Y29-I109 HydrophobicContact CE1-CD1 3.66Å; Y29-I109 HydrophobicContact CE2-CD1 3.06Å; Y29-I109 HydrophobicContact CG-CD1 3.75Å; D80-I109 HydrophobicContact CB-CG2 3.77Å; R81-I109 VanDerWaalsContact O-CA 3.26Å; R81-I109 WeakPolarHBondContact O-CA 3.33Å; F82-I109 HydrophobicContact CD1-CB 4.45Å; F82-I109 HydrophobicContact CD1-CD1 3.53Å; F82-I109 HydrophobicContact CD1-CG1 3.46Å; F82-I109 VanDerWaalsContact CD1-CG1 3.46Å; F82-I109 HydrophobicContact CD1-CG2 4.28Å; F82-I109 HydrophobicContact CE1-CD1 3.39Å; F82-I109 HydrophobicContact CE1-CG1 3.77Å; F82-I109 HydrophobicContact CE1-CG2 4.07Å; F82-I109 HydrophobicContact CG-CG1 4.28Å; F82-I109 HydrophobicContact CZ-CD1 4.49Å; F82-I109 HydrophobicContact CZ-CG2 4.34Å
110	T	71.3	Confident	69.5	Low	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.5	170.4	54	0	0	0	0	109	L12 D80 R81 A114 F116	L12-T110 HydrophobicContact CD2-CG2 3.92Å; D80-T110 CarbonylContact C-O 3.48Å; D80-T110 WeakPolarHBondContact CA-O 3.28Å; R81-T110 WeakPolarHBondContact CB-OG1 3.38Å; R81-T110 PolarHBondContact N-O 2.8Å; R81-T110 PolarHBondContact O-N 3.44Å; T110-A114 WeakPolarHBondContact CB-O 3.42Å; T110-A114 PolarHBondContact OG1-O 3.45Å; T110-F116 HydrophobicContact CG2-CD1 3.78Å; T110-F116 HydrophobicContact CG2-CE1 3.73Å
111	R	71.9	Confident	68.6	Low	105 Å²	105	48.7 Å²	48.7	40%	0.396	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-80.2	154.5	178.4	-64.8	-166.6	175	173.7	0.6	111	F13 D80 N113 A114	F13-R111 HydrophobicContact CD2-CG 4.28Å; F13-R111 HydrophobicContact CE2-CG 3.88Å; D80-R111 WeakPolarHBondContact OD1-CA 3.43Å; D80-R111 WeakPolarHBondContact OD1-CG 3.36Å; R111-N113 PolarHBondContact O-N 3.4Å; R111-N113 VanDerWaalsContact O-N 3.15Å; R111-A114 VanDerWaalsContact O-CB 3.29Å; R111-A114 WeakPolarHBondContact O-CB 3.47Å; R111-A114 PolarHBondContact O-N 2.84Å
112	D	69.6	Low	67.5	Low	134 Å²	134	47.1 Å²	47.1	72%	0.717	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	54.1	35.7	173.5	-56.5	-46.3	0	0	0	113.7	G79 A114	G79-D112 CarbonylContact O-C 3.54Å; G79-D112 WeakPolarHBondContact O-CA 3.46Å; G79-D112 PolarHBondContact O-N 3.34Å; D112-A114 PolarHBondContact O-N 3.25Å; D112-A114 VanDerWaalsContact O-N 3.09Å
113	N	64.5	Low	66.4	Low	31 Å²	31	45 Å²	45	17%	0.166	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	51.4	25.8	-173.6	-52.9	-59.7	0	0	0	115.1	L67 W77 G79 R111 E115	L67-N113 HydrophobicContact CD1-CB 4.08Å; L67-N113 HydrophobicContact CD2-CB 4.35Å; W77-N113 PolarHBondContact NE1-OD1 3.22Å; W77-N113 PolarHBondContact O-ND2 3.3Å; G79-N113 PolarHBondContact O-N 3.34Å; G79-N113 PolarHBondContact O-OD1 3.37Å; R111-N113 PolarHBondContact O-N 3.4Å; R111-N113 VanDerWaalsContact O-N 3.15Å; N113-E115 PolarHBondContact O-N 2.84Å
114	A	64.4	Low	65.6	Low	32 Å²	32	45.7 Å²	45.7	26%	0.264	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-55.6	132.2	175.1	0	0	0	0	0	109.4	P10 T110 R111 D112	P10-A114 HydrophobicContact CB-CB 3.99Å; P10-A114 HydrophobicContact CG-CB 4.28Å; T110-A114 WeakPolarHBondContact CB-O 3.42Å; T110-A114 PolarHBondContact OG1-O 3.45Å; R111-A114 VanDerWaalsContact O-CB 3.29Å; R111-A114 WeakPolarHBondContact O-CB 3.47Å; R111-A114 PolarHBondContact O-N 2.84Å; D112-A114 PolarHBondContact O-N 3.25Å; D112-A114 VanDerWaalsContact O-N 3.09Å
115	E	61.3	Low	64.9	Low	115 Å²	115	39.8 Å²	39.8	54%	0.537	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-63.8	162.6	170.1	-68.5	-178	-173	0	0	110.1	I65 N113 P117	I65-E115 HydrophobicContact CG2-CG 4.19Å; N113-E115 PolarHBondContact O-N 2.84Å; E115-P117 VanDerWaalsContact O-CD 3.26Å; E115-P117 WeakPolarHBondContact O-CD 3.28Å; E115-P117 VanDerWaalsContact O-N 3.13Å
116	F	63.3	Low	64	Low	26 Å²	26	42.2 Å²	42.2	11%	0.114	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-66.6	117.6	174.6	-80.4	-50.2	0	0	0	108.6	L12 T83 L108 T110 C118 L121	L12-F116 HydrophobicContact CD2-CD1 3.82Å; L12-F116 HydrophobicContact CD2-CE1 3.68Å; T83-F116 HydrophobicContact CG2-CE2 3.67Å; T83-F116 HydrophobicContact CG2-CZ 4.21Å; L108-F116 HydrophobicContact CB-CE1 3.83Å; L108-F116 HydrophobicContact CB-CZ 3.64Å; L108-F116 HydrophobicContact CD1-CE1 4.13Å; L108-F116 HydrophobicContact CD1-CZ 4.07Å; T110-F116 HydrophobicContact CG2-CD1 3.78Å; T110-F116 HydrophobicContact CG2-CE1 3.73Å; F116-C118 PolarHBondContact O-N 3.46Å; F116-L121 HydrophobicContact CB-CB 4.12Å; F116-L121 HydrophobicContact CB-CD1 3.92Å; F116-L121 HydrophobicContact CD1-CB 4.04Å; F116-L121 HydrophobicContact CD1-CD1 3.4Å; F116-L121 HydrophobicContact CD1-CG 4.21Å; F116-L121 HydrophobicContact CE1-CD1 4.23Å; F116-L121 HydrophobicContact CG-CB 4.05Å; F116-L121 HydrophobicContact CG-CD1 3.97Å
117	P	52.3	Low	63.3	Low	58 Å²	58	41.2 Å²	41.2	38%	0.377	22%	0.221	S	C	.	.			trans	-75.4	-12.3	-165.8	32.6	-43.2	0	0	0	113.7	T9 P10 E115 L121	T9-P117 HydrophobicContact CG2-CB 4.33Å; T9-P117 HydrophobicContact CG2-CG 4.1Å; P10-P117 VanDerWaalsContact CD-CB 3.45Å; P10-P117 HydrophobicContact CG-CB 3.62Å; P10-P117 HydrophobicContact CG-CG 3.41Å; P10-P117 VanDerWaalsContact CG-CG 3.41Å; E115-P117 VanDerWaalsContact O-CD 3.26Å; E115-P117 WeakPolarHBondContact O-CD 3.28Å; E115-P117 VanDerWaalsContact O-N 3.13Å; P117-L121 HydrophobicContact CG-CD1 4.12Å
118	C	54.2	Low	62.4	Low	35 Å²	35	42 Å²	42	24%	0.236	23%	0.228	C	C	.	.	S	Bend	trans	-147.4	150.1	-167.4	68.6	0	0	0	0	115	F116 V120 L121	F116-C118 PolarHBondContact O-N 3.46Å; C118-V120 PolarHBondContact O-N 3.49Å; C118-V120 VanDerWaalsContact O-N 3.08Å; C118-L121 PolarHBondContact O-N 3.06Å
119	P	53	Low	61.5	Low	47 Å²	47	44 Å²	44	31%	0.305	24%	0.243	S	C	.	.	H	α-helix	trans	-56.2	-26.9	177.5	-23.2	34.1	0	0	0	112.8	F50 Y56 L121 Q122 A123	F50-P119 HydrophobicContact CE1-CB 4.44Å; F50-P119 HydrophobicContact CE2-CB 4.44Å; F50-P119 HydrophobicContact CZ-CB 3.98Å; Y56-P119 WeakPolarHBondContact OH-CB 3.06Å; Y56-P119 WeakPolarHBondContact OH-CG 3.34Å; P119-L121 PolarHBondContact O-N 3.36Å; P119-Q122 WeakPolarHBondContact O-CB 3.47Å; P119-Q122 PolarHBondContact O-N 3.3Å; P119-A123 PolarHBondContact O-N 2.8Å
120	V	52.4	Low	60.4	Low	59 Å²	59	49.8 Å²	49.8	36%	0.358	27%	0.274	S	S	.	.	H	α-helix	trans	-56.8	-36.9	176.7	-178.4	0	0	0	0	111.2	C118 A123 V124	C118-V120 PolarHBondContact O-N 3.49Å; C118-V120 VanDerWaalsContact O-N 3.08Å; V120-A123 CarbonylContact O-C 3.56Å; V120-A123 WeakPolarHBondContact O-CB 3.25Å; V120-A123 PolarHBondContact O-N 2.96Å; V120-V124 HydrophobicContact CG1-CG2 4.22Å; V120-V124 WeakPolarHBondContact O-CG2 2.96Å; V120-V124 PolarHBondContact O-N 2.85Å
121	L	60.3	Low	59.6	Low	7 Å²	7	54 Å²	54	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-79.3	-28.5	-178	-63.2	162.9	0	0	0	113	L12 L108 F116 P117 C118 P119 V124 K125	L12-L121 HydrophobicContact CD1-CD1 3.56Å; L12-L121 HydrophobicContact CD1-CD2 3.21Å; L12-L121 HydrophobicContact CD1-CG 3.86Å; L12-L121 HydrophobicContact CD2-CD1 3.6Å; L12-L121 HydrophobicContact CD2-CD2 4Å; L12-L121 HydrophobicContact CD2-CG 4.42Å; L12-L121 HydrophobicContact CG-CD1 4.06Å; L12-L121 HydrophobicContact CG-CD2 4.18Å; L108-L121 HydrophobicContact CD1-CD2 4.14Å; F116-L121 HydrophobicContact CB-CB 4.12Å; F116-L121 HydrophobicContact CB-CD1 3.92Å; F116-L121 HydrophobicContact CD1-CB 4.04Å; F116-L121 HydrophobicContact CD1-CD1 3.4Å; F116-L121 HydrophobicContact CD1-CG 4.21Å; F116-L121 HydrophobicContact CE1-CD1 4.23Å; F116-L121 HydrophobicContact CG-CB 4.05Å; F116-L121 HydrophobicContact CG-CD1 3.97Å; P117-L121 HydrophobicContact CG-CD1 4.12Å; C118-L121 PolarHBondContact O-N 3.06Å; P119-L121 PolarHBondContact O-N 3.36Å; L121-V124 HydrophobicContact CD2-CG2 4.37Å; L121-K125 WeakPolarHBondContact O-CG 3.44Å; L121-K125 PolarHBondContact O-N 3.45Å
122	Q	59.2	Low	58.5	Low	38 Å²	38	55.8 Å²	55.8	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-67.6	-41.8	167.6	-59.6	179.9	1.3	0	0	109.9	P119 K125 I126	P119-Q122 WeakPolarHBondContact O-CB 3.47Å; P119-Q122 PolarHBondContact O-N 3.3Å; Q122-K125 WeakPolarHBondContact O-CB 3.32Å; Q122-K125 PolarHBondContact O-N 2.78Å; Q122-I126 WeakPolarHBondContact O-CG1 3.28Å; Q122-I126 PolarHBondContact O-N 2.78Å
123	A	57.7	Low	57.7	Low	2 Å²	2	54.5 Å²	54.5	2%	0.017	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-39.2	172.3	0	0	0	0	0	112.9	F50 P119 V120 K125 I126 V127	F50-A123 HydrophobicContact CE1-CB 3.99Å; F50-A123 HydrophobicContact CZ-CB 3.66Å; P119-A123 PolarHBondContact O-N 2.8Å; V120-A123 CarbonylContact O-C 3.56Å; V120-A123 WeakPolarHBondContact O-CB 3.25Å; V120-A123 PolarHBondContact O-N 2.96Å; A123-K125 VanDerWaalsContact C-N 3.27Å; A123-K125 PolarHBondContact O-N 2.72Å; A123-I126 PolarHBondContact O-N 2.71Å; A123-V127 WeakPolarHBondContact O-CB 3.44Å; A123-V127 VanDerWaalsContact O-CG2 3.28Å; A123-V127 WeakPolarHBondContact O-CG2 3.29Å; A123-V127 PolarHBondContact O-N 3.25Å
124	V	62.6	Low	56.7	Low	21 Å²	21	61.5 Å²	61.5	13%	0.127	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-44	174.7	175.9	0	0	0	0	109.5	F41 V85 V120 L121 V127 A128	F41-V124 HydrophobicContact CE1-CG2 3.72Å; F41-V124 HydrophobicContact CZ-CB 4.04Å; F41-V124 HydrophobicContact CZ-CG1 4.01Å; F41-V124 HydrophobicContact CZ-CG2 3.41Å; F41-V124 VanDerWaalsContact CZ-CG2 3.41Å; V85-V124 HydrophobicContact CG1-CG1 4.07Å; V120-V124 HydrophobicContact CG1-CG2 4.22Å; V120-V124 WeakPolarHBondContact O-CG2 2.96Å; V120-V124 PolarHBondContact O-N 2.85Å; L121-V124 HydrophobicContact CD2-CG2 4.37Å; V124-V127 PolarHBondContact O-N 3.26Å; V124-A128 WeakPolarHBondContact O-CB 3.26Å; V124-A128 PolarHBondContact O-N 3.26Å
125	K	61	Low	55.5	Low	17 Å²	17	65.9 Å²	65.9	7%	0.074	36%	0.363	C	S	.	.	H	α-helix	trans	-60	-46.2	175.3	-79.4	-178.4	162.4	-163.9	0	112.4	C84 V85 P88 L121 Q122 A123 A128 S129	C84-K125 WeakPolarHBondContact O-CE 2.95Å; V85-K125 WeakPolarHBondContact O-CA 3.34Å; P88-K125 PolarHBondContact O-NZ 2.96Å; L121-K125 WeakPolarHBondContact O-CG 3.44Å; L121-K125 PolarHBondContact O-N 3.45Å; Q122-K125 WeakPolarHBondContact O-CB 3.32Å; Q122-K125 PolarHBondContact O-N 2.78Å; A123-K125 VanDerWaalsContact C-N 3.27Å; A123-K125 PolarHBondContact O-N 2.72Å; K125-A128 PolarHBondContact O-N 3.22Å; K125-S129 WeakPolarHBondContact O-CB 3.5Å; K125-S129 PolarHBondContact O-N 3.06Å; K125-S129 PolarHBondContact O-OG 3.31Å; K125-S129 VanDerWaalsContact O-OG 3.11Å
126	I	57.1	Low	54.4	Low	96 Å²	96	65.2 Å²	65.2	49%	0.492	37%	0.371	S	S	.	.	H	α-helix	trans	-62.9	-48	178.6	-66.8	160.8	0	0	0	110.6	Q122 A123 A128 S129 D130	Q122-I126 WeakPolarHBondContact O-CG1 3.28Å; Q122-I126 PolarHBondContact O-N 2.78Å; A123-I126 PolarHBondContact O-N 2.71Å; I126-A128 VanDerWaalsContact C-N 3.34Å; I126-A128 PolarHBondContact O-N 3.35Å; I126-S129 PolarHBondContact O-N 3.28Å; I126-S129 PolarHBondContact O-OG 3.45Å; I126-D130 PolarHBondContact O-N 3.15Å
127	V	59.8	Low	53.2	Low	24 Å²	24	69.3 Å²	69.3	15%	0.145	40%	0.398	C	S	.	.	H	α-helix	trans	-66.1	-38.1	-179	172.9	0	0	0	0	111.3	F41 A123 V124 D130	F41-V127 HydrophobicContact CE2-CG1 4.44Å; A123-V127 WeakPolarHBondContact O-CB 3.44Å; A123-V127 VanDerWaalsContact O-CG2 3.28Å; A123-V127 WeakPolarHBondContact O-CG2 3.29Å; A123-V127 PolarHBondContact O-N 3.25Å; V124-V127 PolarHBondContact O-N 3.26Å; V127-D130 PolarHBondContact O-N 3.47Å
128	A	61.2	Low	52.3	Low	18 Å²	18	74 Å²	74	15%	0.149	42%	0.42	C	S	.	.	H	α-helix	trans	-75.3	-30	179.7	0	0	0	0	0	113	V85 V124 K125 I126 D130 V131	V85-A128 HydrophobicContact CG1-CB 3.45Å; V85-A128 VanDerWaalsContact CG1-CB 3.45Å; V124-A128 WeakPolarHBondContact O-CB 3.26Å; V124-A128 PolarHBondContact O-N 3.26Å; K125-A128 PolarHBondContact O-N 3.22Å; I126-A128 VanDerWaalsContact C-N 3.34Å; I126-A128 PolarHBondContact O-N 3.35Å; A128-D130 PolarHBondContact O-N 2.88Å; A128-V131 PolarHBondContact O-N 2.77Å
129	S	56.8	Low	51.7	Low	57 Å²	57	80.7 Å²	80.7	40%	0.399	45%	0.448	S	S	.	.	H	α-helix	trans	-66	-22.9	171.1	55.8	0	0	0	0	112.8	K125 I126 V131	K125-S129 WeakPolarHBondContact O-CB 3.5Å; K125-S129 PolarHBondContact O-N 3.06Å; K125-S129 PolarHBondContact O-OG 3.31Å; K125-S129 VanDerWaalsContact O-OG 3.11Å; I126-S129 PolarHBondContact O-N 3.28Å; I126-S129 PolarHBondContact O-OG 3.45Å; S129-V131 VanDerWaalsContact C-N 3.34Å
130	D	54.2	Low	51	Low	123 Å²	123	86.5 Å²	86.5	66%	0.658	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-6.9	176	-67.7	-15	0	0	0	113.2	I126 V127 A128 I132	I126-D130 PolarHBondContact O-N 3.15Å; V127-D130 PolarHBondContact O-N 3.47Å; A128-D130 PolarHBondContact O-N 2.88Å; D130-I132 PolarHBondContact O-N 3.01Å
131	V	54.9	Low	50.4	Low	89 Å²	89	91.5 Å²	91.5	54%	0.539	50%	0.495	S	S	.	.			trans	-84.7	100.3	176.5	-177.3	0	0	0	0	108.8	A128 S129 V133	A128-V131 PolarHBondContact O-N 2.77Å; S129-V131 VanDerWaalsContact C-N 3.34Å; V131-V133 PolarHBondContact O-N 3.47Å
132	I	49.5	Very low	49.7	Very low	143 Å²	143	99.6 Å²	99.6	73%	0.733	53%	0.533	S	S	*	.			trans	-65.8	115.3	166.2	-56.7	174.6	0	0	0	106.8	D130 E134	D130-I132 PolarHBondContact O-N 3.01Å; I132-E134 PolarHBondContact O-N 3.08Å; I132-E134 VanDerWaalsContact O-N 3.11Å
133	V	51.1	Low	49	Very low	106 Å²	106	105.9 Å²	105.9	64%	0.642	56%	0.562	S	S	*	*			trans	-69.8	105.6	169.5	-179.8	0	0	0	0	106.4	V131 D135	V131-V133 PolarHBondContact O-N 3.47Å; V133-D135 VanDerWaalsContact C-N 3.3Å; V133-D135 PolarHBondContact O-N 2.9Å
134	E	44.2	Very low	48.3	Very low	179 Å²	179	111.6 Å²	111.6	84%	0.836	60%	0.602	S	S	*	*			trans	-65	99	161.3	-67.1	-175.3	173	0	0	106.2	I132 S136	I132-E134 PolarHBondContact O-N 3.08Å; I132-E134 VanDerWaalsContact O-N 3.11Å; E134-S136 VanDerWaalsContact C-N 3.35Å; E134-S136 PolarHBondContact O-N 3.17Å
135	D	38.8	Very low	47.3	Very low	124 Å²	124	117.9 Å²	117.9	66%	0.663	64%	0.635	S	S	*	*			trans	-66.3	96.1	174.3	-168.3	22.1	0	0	0	107.8	V133 T137	V133-D135 VanDerWaalsContact C-N 3.3Å; V133-D135 PolarHBondContact O-N 2.9Å; D135-T137 PolarHBondContact O-N 3.01Å
136	S	39.1	Very low	46.7	Very low	101 Å²	101	124.6 Å²	124.6	71%	0.706	67%	0.671	S	S	*	*			trans	-69	80	169.6	59.9	0	0	0	0	108.5	E134 D138	E134-S136 VanDerWaalsContact C-N 3.35Å; E134-S136 PolarHBondContact O-N 3.17Å; S136-D138 PolarHBondContact O-N 3.41Å; S136-D138 VanDerWaalsContact O-N 3.12Å
137	T	37	Very low	46.2	Very low	111 Å²	111	124.6 Å²	124.6	68%	0.681	68%	0.679	S	S	*	*			trans	-78.5	74.9	162.9	35.3	0	0	0	0	108.3	D135	D135-T137 PolarHBondContact O-N 3.01Å
138	D	34.3	Very low	45.8	Very low	156 Å²	156	131.1 Å²	131.1	83%	0.834	71%	0.714	S	S	*	*			trans	-106.9	67.9	163.2	-72.6	-36.4	0	0	0	108.2	S136	S136-D138 PolarHBondContact O-N 3.41Å; S136-D138 VanDerWaalsContact O-N 3.12Å
139	E	42	Very low	45.1	Very low	177 Å²	177	135.3 Å²	135.3	83%	0.827	74%	0.739	S	S	*	*			trans	-107	113.2	160.1	-73.8	-165	169.1	0	0	108.4
140	E	38.8	Very low	44.6	Very low	169 Å²	169	144 Å²	144	79%	0.79	76%	0.763	S	S	*	*			trans	71	109.4	152.2	-53	-177.2	172.8	0	0	117.8
141	D	39.1	Very low	43.8	Very low	164 Å²	164	143.8 Å²	143.8	88%	0.877	77%	0.766	S	S	*	*				-176	125	115.9	-92.8	-30.4	0	0	0	113.8	Q143	D141-Q143 PolarHBondContact O-N 3.18Å
142	E	44.9	Very low	43	Very low	176 Å²	176	144.3 Å²	144.3	82%	0.822	77%	0.774	S	S	*	*			trans	-63.8	123.3	162	-79.2	-178.5	110.5	0	0	110.6
143	Q	44.1	Very low	42.4	Very low	171 Å²	171	143.1 Å²	143.1	80%	0.799	78%	0.779	S	S	*	*				61.6	97.1	127	-142.8	166	22.4	0	0	118.2	D141	D141-Q143 PolarHBondContact O-N 3.18Å
144	S	43.6	Very low	41.7	Very low	122 Å²	122	143.6 Å²	143.6	85%	0.853	79%	0.786	S	S	*	*				-176.9	137.8	126.9	41.6	0	0	0	0	113.4
145	D	42.8	Very low	41.4	Very low	153 Å²	153	141.1 Å²	141.1	82%	0.818	78%	0.784	S	S	*	*			trans	-54.9	142.2	178.7	-69.5	-62.4	0	0	0	114.6
146	L	48.3	Very low	41.4	Very low	158 Å²	158	142.1 Å²	142.1	83%	0.827	79%	0.794	S	S	*	*				169.5	109.4	117.1	-91.1	152.6	0	0	0	112.8
147	S	46.7	Very low	41.5	Very low	95 Å²	95	142.1 Å²	142.1	66%	0.664	79%	0.79	S	S	*	*			trans	54.1	104	137.5	53	0	0	0	0	121.5
148	D	50.2	Low	42.3	Very low	162 Å²	162	140.3 Å²	140.3	87%	0.866	78%	0.776	S	S	*	*				69.7	152.6	117.3	-88	-11.7	0	0	0	122.5
149	P	47.2	Very low	43.4	Very low	105 Å²	105	139.8 Å²	139.8	68%	0.682	77%	0.774	S	S	*	*				-119.1	156.8	-121.1	40.3	-31.2	0	0	0	113.1
150	R	45.1	Very low	44.4	Very low	240 Å²	240	134.8 Å²	134.8	91%	0.906	76%	0.758	S	S	*	*			trans	179.9	128.5	150.9	-109.3	164	-170.8	-154.4	2.9	114.2
151	T	39	Very low	45.8	Very low	118 Å²	118	129.8 Å²	129.8	72%	0.724	74%	0.737	S	S	*	*			trans	88.9	107.4	141	-27.8	0	0	0	0	118.7
152	S	38.3	Very low	47.4	Very low	101 Å²	101	126 Å²	126	71%	0.706	72%	0.716	S	S	*	*			trans	70.9	124.5	134.5	-60	0	0	0	0	122.2
153	S	35.3	Very low	49.2	Very low	118 Å²	118	119.7 Å²	119.7	83%	0.825	69%	0.688	S	S	*	*			trans	59.8	103.2	134.9	-68.5	0	0	0	0	118.6
154	S	37	Very low	50.9	Low	115 Å²	115	116.9 Å²	116.9	80%	0.804	68%	0.675	S	S	*	*				-179.4	111.8	124.9	50.3	0	0	0	0	108.5
155	T	38.2	Very low	52.9	Low	128 Å²	128	117.4 Å²	117.4	79%	0.785	66%	0.662	S	S	*	*			trans	-136.5	112.2	161.3	-1.1	0	0	0	0	108.8	T157	T155-T157 PolarHBondContact O-N 3.03Å; T155-T157 VanDerWaalsContact O-N 3.14Å
156	T	39	Very low	54.8	Low	144 Å²	144	110.6 Å²	110.6	88%	0.883	63%	0.626	S	S	*	*			trans	-56.1	102.1	172.8	44.9	0	0	0	0	109.7
157	T	40.3	Very low	56.6	Low	101 Å²	101	103.7 Å²	103.7	62%	0.62	59%	0.589	S	S	*	*			trans	-126.6	119.4	169.9	58	0	0	0	0	108.9	T155	T155-T157 PolarHBondContact O-N 3.03Å; T155-T157 VanDerWaalsContact O-N 3.14Å
158	N	53.6	Low	58.4	Low	73 Å²	73	103.8 Å²	103.8	39%	0.39	58%	0.583	S	S	.	*			trans	86.3	81.1	139.2	-54.6	-17	0	0	0	118.4	S160 D161 D162	N158-S160 PolarHBondContact O-N 3.06Å; N158-D161 HydrophobicContact CB-CB 3.4Å; N158-D161 PolarHBondContact ND2-OD2 3.4Å; N158-D161 PolarHBondContact O-N 3.3Å; N158-D162 PolarHBondContact O-N 3.47Å
159	D	58	Low	60.2	Low	146 Å²	146	97.5 Å²	97.5	78%	0.781	55%	0.553	S	S	*	*	H	α-helix	trans	-53.9	-32.5	157.7	-74.6	-9.4	0	0	0	111.5	I163	D159-I163 WeakPolarHBondContact O-CD1 3.28Å; D159-I163 VanDerWaalsContact O-CG1 3.28Å; D159-I163 WeakPolarHBondContact O-CG1 3.36Å; D159-I163 PolarHBondContact O-N 3.29Å
160	S	62.7	Low	62.1	Low	71 Å²	71	92.5 Å²	92.5	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-71.3	-42.5	176.3	-167.6	0	0	0	0	112.6	N158 D162 I163 H164	N158-S160 PolarHBondContact O-N 3.06Å; S160-D162 VanDerWaalsContact C-N 3.28Å; S160-D162 PolarHBondContact O-N 2.9Å; S160-I163 PolarHBondContact O-N 2.79Å; S160-H164 PolarHBondContact O-CD2 2.85Å; S160-H164 PolarHBondContact O-N 2.73Å; S160-H164 VanDerWaalsContact O-N 3.07Å
161	D	67.8	Low	64	Low	65 Å²	65	85.4 Å²	85.4	35%	0.348	49%	0.494	S	S	.	.	H	α-helix	trans	-69.1	-32.9	177.3	-70.5	4	0	0	0	110.9	N158 I163 H164 K165	N158-D161 HydrophobicContact CB-CB 3.4Å; N158-D161 PolarHBondContact ND2-OD2 3.4Å; N158-D161 PolarHBondContact O-N 3.3Å; D161-I163 VanDerWaalsContact C-N 3.29Å; D161-H164 PolarHBondContact O-N 3.46Å; D161-K165 VanDerWaalsContact O-CB 3.31Å; D161-K165 WeakPolarHBondContact O-CB 3.41Å; D161-K165 VanDerWaalsContact O-CG 3.23Å; D161-K165 WeakPolarHBondContact O-CG 3.41Å; D161-K165 PolarHBondContact O-N 3.17Å
162	D	74.4	Confident	66.4	Low	83 Å²	83	88.2 Å²	88.2	44%	0.444	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-39	176.5	-159.1	38.5	0	0	0	110.7	N158 S160 T166	N158-D162 PolarHBondContact O-N 3.47Å; S160-D162 VanDerWaalsContact C-N 3.28Å; S160-D162 PolarHBondContact O-N 2.9Å; D162-T166 VanDerWaalsContact O-CB 3.27Å; D162-T166 WeakPolarHBondContact O-CB 3.47Å; D162-T166 PolarHBondContact O-N 3.31Å; D162-T166 PolarHBondContact O-OG1 2.96Å
163	I	80.8	Confident	68.7	Low	44 Å²	44	87.6 Å²	87.6	23%	0.226	49%	0.486	C	S	.	.	H	α-helix	trans	-62.8	-49	172.7	-66	163.9	0	0	0	111.1	D159 S160 D161 T166 I167 V186 I187	D159-I163 WeakPolarHBondContact O-CD1 3.28Å; D159-I163 VanDerWaalsContact O-CG1 3.28Å; D159-I163 WeakPolarHBondContact O-CG1 3.36Å; D159-I163 PolarHBondContact O-N 3.29Å; S160-I163 PolarHBondContact O-N 2.79Å; D161-I163 VanDerWaalsContact C-N 3.29Å; I163-T166 PolarHBondContact O-N 3.44Å; I163-I167 HydrophobicContact CG2-CD1 3.7Å; I163-I167 HydrophobicContact CG2-CG1 4.44Å; I163-I167 VanDerWaalsContact O-CG1 3.29Å; I163-I167 WeakPolarHBondContact O-CG1 3.32Å; I163-I167 PolarHBondContact O-N 3.1Å; I163-V186 HydrophobicContact CB-CG1 4.24Å; I163-V186 HydrophobicContact CG1-CG1 3.91Å; I163-V186 HydrophobicContact CG2-CG1 4.16Å; I163-I187 HydrophobicContact CD1-CG1 4.3Å
164	H	80.7	Confident	71.1	Confident	112 Å²	112	84.4 Å²	84.4	52%	0.519	47%	0.471	S	S	.	.	H	α-helix	trans	-63.1	-46.1	-179.3	-79.3	-70.3	0	0	0	112.3	S160 D161 T166 I167 D168	S160-H164 PolarHBondContact O-CD2 2.85Å; S160-H164 PolarHBondContact O-N 2.73Å; S160-H164 VanDerWaalsContact O-N 3.07Å; D161-H164 PolarHBondContact O-N 3.46Å; H164-T166 VanDerWaalsContact C-N 3.29Å; H164-T166 PolarHBondContact O-N 3.28Å; H164-I167 PolarHBondContact O-N 3.2Å; H164-D168 PolarHBondContact O-N 2.68Å
165	K	85.2	Confident	73.5	Confident	134 Å²	134	80.5 Å²	80.5	58%	0.583	44%	0.439	S	S	*	.	H	α-helix	trans	-59.3	-40.4	175.2	-73.7	171.1	-175.8	169.1	0	112	D161 D168 A169	D161-K165 VanDerWaalsContact O-CB 3.31Å; D161-K165 WeakPolarHBondContact O-CB 3.41Å; D161-K165 VanDerWaalsContact O-CG 3.23Å; D161-K165 WeakPolarHBondContact O-CG 3.41Å; D161-K165 PolarHBondContact O-N 3.17Å; K165-D168 PolarHBondContact O-N 3.24Å; K165-A169 WeakPolarHBondContact O-CB 3.47Å; K165-A169 PolarHBondContact O-N 2.83Å
166	T	83.6	Confident	75.7	Confident	10 Å²	10	83.7 Å²	83.7	6%	0.061	44%	0.443	C	S	.	.	H	α-helix	trans	-66.8	-40.7	177.8	-55.6	0	0	0	0	111.3	D162 I163 H164 A169 L170 V186 L193 I196	D162-T166 VanDerWaalsContact O-CB 3.27Å; D162-T166 WeakPolarHBondContact O-CB 3.47Å; D162-T166 PolarHBondContact O-N 3.31Å; D162-T166 PolarHBondContact O-OG1 2.96Å; I163-T166 PolarHBondContact O-N 3.44Å; H164-T166 VanDerWaalsContact C-N 3.29Å; H164-T166 PolarHBondContact O-N 3.28Å; T166-A169 PolarHBondContact O-N 2.93Å; T166-L170 HydrophobicContact CG2-CD1 4.33Å; T166-L170 WeakPolarHBondContact O-CD1 3.23Å; T166-L170 VanDerWaalsContact O-CG 3.28Å; T166-L170 WeakPolarHBondContact O-CG 3.34Å; T166-L170 PolarHBondContact O-N 2.9Å; T166-V186 HydrophobicContact CG2-CG1 4.17Å; T166-V186 HydrophobicContact CG2-CG2 3.75Å; T166-L193 HydrophobicContact CG2-CD1 3.73Å; T166-I196 HydrophobicContact CG2-CD1 4.02Å
167	I	85	Confident	77.7	Confident	12 Å²	12	79.3 Å²	79.3	6%	0.062	41%	0.412	C	S	.	.	H	α-helix	trans	-65.9	-42.5	176.8	-69	167.4	0	0	0	111.3	I163 H164 A169 L170 R171 L182 V183 V186	I163-I167 HydrophobicContact CG2-CD1 3.7Å; I163-I167 HydrophobicContact CG2-CG1 4.44Å; I163-I167 VanDerWaalsContact O-CG1 3.29Å; I163-I167 WeakPolarHBondContact O-CG1 3.32Å; I163-I167 PolarHBondContact O-N 3.1Å; H164-I167 PolarHBondContact O-N 3.2Å; I167-A169 VanDerWaalsContact C-N 3.35Å; I167-L170 WeakPolarHBondContact O-CB 3.19Å; I167-L170 PolarHBondContact O-N 3.04Å; I167-R171 WeakPolarHBondContact O-CG 3.37Å; I167-R171 PolarHBondContact O-N 3.45Å; I167-L182 HydrophobicContact CG1-CB 4.43Å; I167-V183 HydrophobicContact CD1-CG2 3.43Å; I167-V183 VanDerWaalsContact CD1-CG2 3.43Å; I167-V186 HydrophobicContact CG1-CG2 4.26Å
168	D	85.9	Confident	79.8	Confident	98 Å²	98	81.5 Å²	81.5	52%	0.524	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-43.2	177.5	-71.4	-21.8	0	0	0	111.1	H164 K165 L170 R171 E172	H164-D168 PolarHBondContact O-N 2.68Å; K165-D168 PolarHBondContact O-N 3.24Å; D168-L170 VanDerWaalsContact C-N 3.32Å; D168-L170 PolarHBondContact O-N 3.08Å; D168-R171 WeakPolarHBondContact O-CB 3.47Å; D168-R171 PolarHBondContact O-N 3.04Å; D168-R171 VanDerWaalsContact O-N 3.12Å; D168-E172 PolarHBondContact O-N 3.34Å
169	A	87.2	Confident	81.1	Confident	29 Å²	29	81.6 Å²	81.6	24%	0.24	42%	0.416	C	S	.	.	H	α-helix	trans	-59.6	-39.7	173.3	0	0	0	0	0	112.6	K165 T166 I167 E172 M173 L193	K165-A169 WeakPolarHBondContact O-CB 3.47Å; K165-A169 PolarHBondContact O-N 2.83Å; T166-A169 PolarHBondContact O-N 2.93Å; I167-A169 VanDerWaalsContact C-N 3.35Å; A169-E172 PolarHBondContact O-N 3.07Å; A169-M173 WeakPolarHBondContact O-CE 3.08Å; A169-M173 WeakPolarHBondContact O-CG 3.31Å; A169-M173 PolarHBondContact O-N 2.99Å; A169-L193 HydrophobicContact CB-CD1 4Å; A169-L193 HydrophobicContact CB-CD2 4.26Å
170	L	86.1	Confident	82.1	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-64.7	-38.8	175.4	-68.6	162.1	0	0	0	111.7	T166 I167 D168 M173 G174 F175 L182 V186 L193 I196 V197 L200	T166-L170 HydrophobicContact CG2-CD1 4.33Å; T166-L170 WeakPolarHBondContact O-CD1 3.23Å; T166-L170 VanDerWaalsContact O-CG 3.28Å; T166-L170 WeakPolarHBondContact O-CG 3.34Å; T166-L170 PolarHBondContact O-N 2.9Å; I167-L170 WeakPolarHBondContact O-CB 3.19Å; I167-L170 PolarHBondContact O-N 3.04Å; D168-L170 VanDerWaalsContact C-N 3.32Å; D168-L170 PolarHBondContact O-N 3.08Å; L170-M173 HydrophobicContact CD2-CE 3.74Å; L170-M173 HydrophobicContact CG-CE 4.28Å; L170-M173 PolarHBondContact O-N 2.93Å; L170-G174 PolarHBondContact O-N 3Å; L170-F175 HydrophobicContact CB-CB 4.44Å; L170-F175 HydrophobicContact CB-CD2 4.41Å; L170-F175 HydrophobicContact CD2-CD2 3.96Å; L170-F175 HydrophobicContact CD2-CE2 4.33Å; L170-F175 WeakPolarHBondContact O-CB 3.14Å; L170-F175 WeakPolarHBondContact O-CD2 3.2Å; L170-F175 PolarHBondContact O-N 2.77Å; L170-F175 VanDerWaalsContact O-N 3.13Å; L170-L182 HydrophobicContact CB-CD1 4.45Å; L170-L182 HydrophobicContact CD1-CD2 4.19Å; L170-V186 HydrophobicContact CD1-CG2 4.15Å; L170-L193 HydrophobicContact CD2-CD1 3.91Å; L170-L193 HydrophobicContact CG-CD1 3.82Å; L170-I196 HydrophobicContact CD1-CG2 3.81Å; L170-I196 HydrophobicContact CD2-CB 4.5Å; L170-I196 HydrophobicContact CD2-CG2 3.77Å; L170-I196 HydrophobicContact CG-CG2 4.48Å; L170-V197 HydrophobicContact CD2-CG2 4.06Å; L170-L200 HydrophobicContact CD2-CD1 4.03Å
171	R	86.4	Confident	83	Confident	92 Å²	92	78.3 Å²	78.3	35%	0.347	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-41.9	175.2	-68	-64.2	-173.4	-151.7	-0.5	112	I167 D168 M173 G174 F175 Q177 T179	I167-R171 WeakPolarHBondContact O-CG 3.37Å; I167-R171 PolarHBondContact O-N 3.45Å; D168-R171 WeakPolarHBondContact O-CB 3.47Å; D168-R171 PolarHBondContact O-N 3.04Å; D168-R171 VanDerWaalsContact O-N 3.12Å; R171-M173 VanDerWaalsContact C-N 3.27Å; R171-M173 PolarHBondContact O-N 2.75Å; R171-G174 PolarHBondContact O-N 2.76Å; R171-F175 PolarHBondContact NH1-O 3.34Å; R171-Q177 VanDerWaalsContact CZ-O 3.27Å; R171-Q177 PolarHBondContact NH1-O 2.94Å; R171-Q177 PolarHBondContact NH2-O 2.68Å; R171-T179 PolarHBondContact NH2-OG1 3.25Å; R171-T179 VanDerWaalsContact NH2-OG1 3.09Å
172	E	88.8	Confident	83.6	Confident	176 Å²	176	75.2 Å²	75.2	82%	0.822	38%	0.378	S	S	*	.	H	α-helix	trans	-62.2	-34.3	175.2	-72.7	-174	170	0	0	112.4	D168 A169 G174	D168-E172 PolarHBondContact O-N 3.34Å; A169-E172 PolarHBondContact O-N 3.07Å; E172-G174 PolarHBondContact O-N 2.76Å
173	M	85.9	Confident	84	Confident	89 Å²	89	73.3 Å²	73.3	44%	0.438	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-3.6	173.4	-70.6	-174	-69.2	0	0	114.2	A169 L170 R171 F175 L193 V197	A169-M173 WeakPolarHBondContact O-CE 3.08Å; A169-M173 WeakPolarHBondContact O-CG 3.31Å; A169-M173 PolarHBondContact O-N 2.99Å; L170-M173 HydrophobicContact CD2-CE 3.74Å; L170-M173 HydrophobicContact CG-CE 4.28Å; L170-M173 PolarHBondContact O-N 2.93Å; R171-M173 VanDerWaalsContact C-N 3.27Å; R171-M173 PolarHBondContact O-N 2.75Å; M173-F175 HydrophobicContact CB-CD2 3.83Å; M173-F175 HydrophobicContact CB-CE2 3.88Å; M173-F175 HydrophobicContact CE-CD2 4.46Å; M173-F175 HydrophobicContact CE-CE2 4.29Å; M173-L193 HydrophobicContact CE-CD1 3.72Å; M173-L193 HydrophobicContact CE-CD2 3.84Å; M173-L193 HydrophobicContact CE-CG 3.84Å; M173-V197 HydrophobicContact CE-CG2 3.43Å; M173-V197 VanDerWaalsContact CE-CG2 3.43Å; M173-V197 HydrophobicContact SD-CG2 3.82Å
174	G	86.2	Confident	84.1	Confident	50 Å²	50	77.9 Å²	77.9	52%	0.515	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	11.2	174.7	0	0	0	0	0	115.3	L170 R171 E172 K176	L170-G174 PolarHBondContact O-N 3Å; R171-G174 PolarHBondContact O-N 2.76Å; E172-G174 PolarHBondContact O-N 2.76Å; G174-K176 PolarHBondContact O-N 2.77Å
175	F	87	Confident	84.1	Confident	33 Å²	33	74 Å²	74	15%	0.145	37%	0.373	C	S	.	.			trans	-71.5	117.4	176.1	-71.9	-71.3	0	0	0	111	L170 R171 M173 V197 L200	L170-F175 HydrophobicContact CB-CB 4.44Å; L170-F175 HydrophobicContact CB-CD2 4.41Å; L170-F175 HydrophobicContact CD2-CD2 3.96Å; L170-F175 HydrophobicContact CD2-CE2 4.33Å; L170-F175 WeakPolarHBondContact O-CB 3.14Å; L170-F175 WeakPolarHBondContact O-CD2 3.2Å; L170-F175 PolarHBondContact O-N 2.77Å; L170-F175 VanDerWaalsContact O-N 3.13Å; R171-F175 PolarHBondContact NH1-O 3.34Å; M173-F175 HydrophobicContact CB-CD2 3.83Å; M173-F175 HydrophobicContact CB-CE2 3.88Å; M173-F175 HydrophobicContact CE-CD2 4.46Å; M173-F175 HydrophobicContact CE-CE2 4.29Å; F175-V197 HydrophobicContact CE2-CB 4.47Å; F175-V197 HydrophobicContact CE2-CG1 4.26Å; F175-V197 HydrophobicContact CE2-CG2 3.91Å; F175-V197 HydrophobicContact CZ-CB 4.45Å; F175-V197 HydrophobicContact CZ-CG1 4.04Å; F175-V197 HydrophobicContact CZ-CG2 4.37Å; F175-L200 HydrophobicContact CB-CD1 4.44Å; F175-L200 HydrophobicContact CD1-CB 3.65Å; F175-L200 HydrophobicContact CD1-CD1 3.8Å; F175-L200 HydrophobicContact CD1-CG 4.33Å; F175-L200 HydrophobicContact CD2-CD1 4.44Å; F175-L200 HydrophobicContact CE1-CB 3.32Å; F175-L200 HydrophobicContact CE1-CD1 4.15Å; F175-L200 HydrophobicContact CE1-CG 4.39Å; F175-L200 HydrophobicContact CG-CD1 3.96Å; F175-L200 HydrophobicContact CZ-CB 4.02Å
176	K	84.2	Confident	84.1	Confident	196 Å²	196	67.8 Å²	67.8	85%	0.852	35%	0.346	S	S	*	.			trans	-101.1	11.4	-175.2	-64.9	-175.8	-177.6	178.9	0	114.2	G174	G174-K176 PolarHBondContact O-N 2.77Å
177	Q	81	Confident	84	Confident	52 Å²	52	72.3 Å²	72.3	24%	0.243	37%	0.369	C	S	.	.	S	Bend	trans	-60.2	161.5	178.1	-70.5	78.8	0.1	0	0	111.7	R171 L182 L200	R171-Q177 VanDerWaalsContact CZ-O 3.27Å; R171-Q177 PolarHBondContact NH1-O 2.94Å; R171-Q177 PolarHBondContact NH2-O 2.68Å; Q177-L182 HydrophobicContact CB-CD2 3.94Å; Q177-L182 HydrophobicContact CB-CG 4.14Å; Q177-L200 HydrophobicContact CG-CD2 3.92Å
178	K	84.3	Confident	83.9	Confident	146 Å²	146	79.1 Å²	79.1	64%	0.635	40%	0.398	S	S	*	.			trans	-65.1	141.7	176.3	-68.9	-178.8	178.9	180	0	109.6	S180 E181 L182	K178-S180 PolarHBondContact O-N 3Å; K178-E181 HydrophobicContact CB-CG 4.22Å; K178-E181 PolarHBondContact N-OE2 3.12Å; K178-E181 WeakPolarHBondContact O-CB 3.46Å; K178-E181 PolarHBondContact O-N 3.18Å; K178-L182 PolarHBondContact O-N 3.08Å
179	T	81.3	Confident	83.7	Confident	75 Å²	75	76.1 Å²	76.1	46%	0.46	38%	0.381	S	S	.	.	H	α-helix	trans	-58.1	-33.4	-178.8	-53.6	0	0	0	0	111.8	R171 E181 L182 V183	R171-T179 PolarHBondContact NH2-OG1 3.25Å; R171-T179 VanDerWaalsContact NH2-OG1 3.09Å; T179-E181 PolarHBondContact O-N 3.03Å; T179-L182 PolarHBondContact O-N 3.16Å; T179-V183 HydrophobicContact CG2-CG2 4.32Å; T179-V183 WeakPolarHBondContact O-CG2 3.37Å; T179-V183 PolarHBondContact O-N 2.74Å
180	S	79	Confident	83.3	Confident	59 Å²	59	85.8 Å²	85.8	41%	0.413	41%	0.411	S	S	.	.	H	α-helix	trans	-60.1	-42.8	174	55.7	0	0	0	0	113.3	K178 V183 E184	K178-S180 PolarHBondContact O-N 3Å; S180-V183 PolarHBondContact O-N 2.9Å; S180-E184 WeakPolarHBondContact O-CG 2.85Å; S180-E184 PolarHBondContact O-N 3.28Å
181	E	81.7	Confident	82.6	Confident	89 Å²	89	86.6 Å²	86.6	42%	0.416	42%	0.42	S	S	.	.	H	α-helix	trans	-67.2	-40.2	178.7	-66.6	166.9	-177.5	0	0	110.7	K178 T179 E184 L185	K178-E181 HydrophobicContact CB-CG 4.22Å; K178-E181 PolarHBondContact N-OE2 3.12Å; K178-E181 WeakPolarHBondContact O-CB 3.46Å; K178-E181 PolarHBondContact O-N 3.18Å; T179-E181 PolarHBondContact O-N 3.03Å; E181-E184 PolarHBondContact O-N 3.15Å; E181-L185 WeakPolarHBondContact O-CB 3.22Å; E181-L185 WeakPolarHBondContact O-CG 3.48Å; E181-L185 PolarHBondContact O-N 2.76Å
182	L	82	Confident	82.3	Confident	0 Å²	0	86 Å²	86	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-65.6	-43.9	176	-62.9	-178.7	0	0	0	111.4	I167 L170 Q177 K178 T179 E184 L185 V186 L200	I167-L182 HydrophobicContact CG1-CB 4.43Å; L170-L182 HydrophobicContact CB-CD1 4.45Å; L170-L182 HydrophobicContact CD1-CD2 4.19Å; Q177-L182 HydrophobicContact CB-CD2 3.94Å; Q177-L182 HydrophobicContact CB-CG 4.14Å; K178-L182 PolarHBondContact O-N 3.08Å; T179-L182 PolarHBondContact O-N 3.16Å; L182-E184 PolarHBondContact O-N 2.76Å; L182-L185 PolarHBondContact O-N 3.05Å; L182-V186 WeakPolarHBondContact O-CB 3.44Å; L182-V186 WeakPolarHBondContact O-CG2 3.49Å; L182-V186 PolarHBondContact O-N 2.89Å; L182-L200 HydrophobicContact CD2-CD1 3.62Å; L182-L200 HydrophobicContact CD2-CD2 4.38Å
183	V	82.1	Confident	82	Confident	44 Å²	44	80.5 Å²	80.5	27%	0.267	40%	0.4	S	S	.	.	H	α-helix	trans	-60.1	-46.6	176.5	171.6	0	0	0	0	110.8	I167 T179 S180 L185 V186 I187	I167-V183 HydrophobicContact CD1-CG2 3.43Å; I167-V183 VanDerWaalsContact CD1-CG2 3.43Å; T179-V183 HydrophobicContact CG2-CG2 4.32Å; T179-V183 WeakPolarHBondContact O-CG2 3.37Å; T179-V183 PolarHBondContact O-N 2.74Å; S180-V183 PolarHBondContact O-N 2.9Å; V183-L185 VanDerWaalsContact C-N 3.32Å; V183-L185 PolarHBondContact O-N 2.79Å; V183-V186 PolarHBondContact O-N 3.21Å; V183-I187 HydrophobicContact CG1-CD1 3.67Å; V183-I187 HydrophobicContact CG1-CG1 4.37Å; V183-I187 WeakPolarHBondContact O-CB 3.2Å; V183-I187 VanDerWaalsContact O-CG1 3.27Å; V183-I187 WeakPolarHBondContact O-CG1 3.47Å; V183-I187 PolarHBondContact O-N 3.01Å
184	E	82.2	Confident	81.8	Confident	139 Å²	139	81.9 Å²	81.9	65%	0.65	41%	0.405	S	S	*	.	H	α-helix	trans	-59.9	-42	176.9	-77.1	-178	-173	0	0	112.1	S180 E181 L182 K188	S180-E184 WeakPolarHBondContact O-CG 2.85Å; S180-E184 PolarHBondContact O-N 3.28Å; E181-E184 PolarHBondContact O-N 3.15Å; L182-E184 PolarHBondContact O-N 2.76Å; E184-K188 WeakPolarHBondContact O-CB 3.26Å; E184-K188 PolarHBondContact O-N 2.74Å
185	L	81.8	Confident	81.7	Confident	32 Å²	32	81.4 Å²	81.4	17%	0.168	39%	0.392	C	S	.	.	H	α-helix	trans	-64.6	-44.4	175.3	-84.7	159.6	0	0	0	112.3	E181 L182 V183 I187 K188 E189 I196 K199 L200	E181-L185 WeakPolarHBondContact O-CB 3.22Å; E181-L185 WeakPolarHBondContact O-CG 3.48Å; E181-L185 PolarHBondContact O-N 2.76Å; L182-L185 PolarHBondContact O-N 3.05Å; V183-L185 VanDerWaalsContact C-N 3.32Å; V183-L185 PolarHBondContact O-N 2.79Å; L185-I187 PolarHBondContact O-N 2.78Å; L185-K188 PolarHBondContact O-N 2.96Å; L185-E189 WeakPolarHBondContact O-CB 3.38Å; L185-E189 WeakPolarHBondContact O-CG 3.11Å; L185-E189 PolarHBondContact O-N 3.23Å; L185-I196 HydrophobicContact CB-CG2 4.27Å; L185-K199 HydrophobicContact CD2-CB 4.35Å; L185-K199 HydrophobicContact CD2-CD 4.22Å; L185-L200 HydrophobicContact CD1-CD2 3.53Å; L185-L200 HydrophobicContact CD1-CG 4.12Å
186	V	84.7	Confident	81.6	Confident	2 Å²	2	79.8 Å²	79.8	1%	0.012	39%	0.385	C	S	.	.	H	α-helix	trans	-62.8	-43.5	179.2	174.1	0	0	0	0	110.9	I163 T166 I167 L170 L182 V183 R190 G191 I196	I163-V186 HydrophobicContact CB-CG1 4.24Å; I163-V186 HydrophobicContact CG1-CG1 3.91Å; I163-V186 HydrophobicContact CG2-CG1 4.16Å; T166-V186 HydrophobicContact CG2-CG1 4.17Å; T166-V186 HydrophobicContact CG2-CG2 3.75Å; I167-V186 HydrophobicContact CG1-CG2 4.26Å; L170-V186 HydrophobicContact CD1-CG2 4.15Å; L182-V186 WeakPolarHBondContact O-CB 3.44Å; L182-V186 WeakPolarHBondContact O-CG2 3.49Å; L182-V186 PolarHBondContact O-N 2.89Å; V183-V186 PolarHBondContact O-N 3.21Å; V186-R190 WeakPolarHBondContact O-CA 3.11Å; V186-R190 PolarHBondContact O-N 3Å; V186-G191 PolarHBondContact O-N 2.88Å; V186-I196 HydrophobicContact CB-CD1 4.29Å; V186-I196 HydrophobicContact CG2-CD1 3.79Å
187	I	81	Confident	81.6	Confident	105 Å²	105	72 Å²	72	54%	0.538	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-45.5	175.7	-67	168.5	0	0	0	110.3	I163 V183 L185 R190	I163-I187 HydrophobicContact CD1-CG1 4.3Å; V183-I187 HydrophobicContact CG1-CD1 3.67Å; V183-I187 HydrophobicContact CG1-CG1 4.37Å; V183-I187 WeakPolarHBondContact O-CB 3.2Å; V183-I187 VanDerWaalsContact O-CG1 3.27Å; V183-I187 WeakPolarHBondContact O-CG1 3.47Å; V183-I187 PolarHBondContact O-N 3.01Å; L185-I187 PolarHBondContact O-N 2.78Å; I187-R190 PolarHBondContact O-N 2.74Å
188	K	83.4	Confident	81.9	Confident	155 Å²	155	74.3 Å²	74.3	67%	0.674	36%	0.364	S	S	*	.	H	α-helix	trans	-64.8	-41	-177.8	-172.3	-179.7	-179.8	175.7	0	112.6	E184 L185	E184-K188 WeakPolarHBondContact O-CB 3.26Å; E184-K188 PolarHBondContact O-N 2.74Å; L185-K188 PolarHBondContact O-N 2.96Å
189	E	82.6	Confident	81.9	Confident	35 Å²	35	71.8 Å²	71.8	16%	0.164	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	9.3	-179.4	-52.8	-49.2	132.1	0	0	113.3	L185 G191 N192 T195 I196 K199	L185-E189 WeakPolarHBondContact O-CB 3.38Å; L185-E189 WeakPolarHBondContact O-CG 3.11Å; L185-E189 PolarHBondContact O-N 3.23Å; E189-G191 VanDerWaalsContact C-N 3.33Å; E189-G191 PolarHBondContact O-N 2.66Å; E189-N192 VanDerWaalsContact O-CB 3.3Å; E189-N192 WeakPolarHBondContact O-CB 3.11Å; E189-N192 PolarHBondContact O-N 2.83Å; E189-N192 VanDerWaalsContact O-N 3.08Å; E189-T195 HydrophobicContact CG-CG2 4.3Å; E189-T195 WeakPolarHBondContact OE2-CG2 3.38Å; E189-I196 HydrophobicContact CB-CD1 4.3Å; E189-I196 HydrophobicContact CB-CG1 3.76Å; E189-I196 HydrophobicContact CG-CG1 3.84Å; E189-K199 HydrophobicContact CG-CD 4.48Å; E189-K199 IonicContact OE1-NZ 2.6Å; E189-K199 PolarHBondContact OE1-NZ 3.46Å; E189-K199 IonicContact OE2-NZ 2.95Å; E189-K199 PolarHBondContact OE2-NZ 3.07Å
190	R	77.3	Confident	82	Confident	232 Å²	232	69.5 Å²	69.5	88%	0.875	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	45.2	178.6	-56.3	-177.7	177.2	-166.7	-2.4	113.5	V186 I187 N192	V186-R190 WeakPolarHBondContact O-CA 3.11Å; V186-R190 PolarHBondContact O-N 3Å; I187-R190 PolarHBondContact O-N 2.74Å; R190-N192 PolarHBondContact O-N 3.22Å
191	G	71.8	Confident	82	Confident	18 Å²	18	70.3 Å²	70.3	19%	0.186	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	5.6	179.5	0	0	0	0	0	115.3	V186 E189 L193	V186-G191 PolarHBondContact O-N 2.88Å; E189-G191 VanDerWaalsContact C-N 3.33Å; E189-G191 PolarHBondContact O-N 2.66Å; G191-L193 PolarHBondContact O-N 2.89Å
192	N	80.9	Confident	81.6	Confident	80 Å²	80	75.2 Å²	75.2	43%	0.428	38%	0.378	S	S	.	.			trans	-73.8	92.7	178.6	-169.4	-27.1	0	0	0	111.8	E189 R190 Q194 T195 I196	E189-N192 VanDerWaalsContact O-CB 3.3Å; E189-N192 WeakPolarHBondContact O-CB 3.11Å; E189-N192 PolarHBondContact O-N 2.83Å; E189-N192 VanDerWaalsContact O-N 3.08Å; R190-N192 PolarHBondContact O-N 3.22Å; N192-Q194 VanDerWaalsContact C-N 3.26Å; N192-Q194 PolarHBondContact O-N 3.41Å; N192-Q194 PolarHBondContact OD1-N 2.93Å; N192-T195 VanDerWaalsContact CG-OG1 3.31Å; N192-T195 PolarHBondContact ND2-OG1 2.95Å; N192-T195 PolarHBondContact O-N 3.25Å; N192-T195 PolarHBondContact OD1-N 2.86Å; N192-T195 PolarHBondContact OD1-OG1 2.65Å; N192-I196 WeakPolarHBondContact O-CD1 3.29Å; N192-I196 VanDerWaalsContact O-CG1 3.27Å; N192-I196 WeakPolarHBondContact O-CG1 3.41Å; N192-I196 PolarHBondContact O-N 3.02Å; N192-I196 VanDerWaalsContact O-N 3.1Å
193	L	81.8	Confident	81.6	Confident	60 Å²	60	79 Å²	79	31%	0.314	40%	0.397	S	S	.	.	H	α-helix	trans	-52.2	-41.1	-178.9	-166.4	76.9	0	0	0	112.9	T166 A169 L170 M173 G191 T195 I196 V197	T166-L193 HydrophobicContact CG2-CD1 3.73Å; A169-L193 HydrophobicContact CB-CD1 4Å; A169-L193 HydrophobicContact CB-CD2 4.26Å; L170-L193 HydrophobicContact CD2-CD1 3.91Å; L170-L193 HydrophobicContact CG-CD1 3.82Å; M173-L193 HydrophobicContact CE-CD1 3.72Å; M173-L193 HydrophobicContact CE-CD2 3.84Å; M173-L193 HydrophobicContact CE-CG 3.84Å; G191-L193 PolarHBondContact O-N 2.89Å; L193-T195 PolarHBondContact O-N 3.3Å; L193-I196 PolarHBondContact O-N 3.27Å; L193-V197 HydrophobicContact CG-CG2 4.4Å; L193-V197 WeakPolarHBondContact O-CB 3.22Å; L193-V197 VanDerWaalsContact O-CG2 3.22Å; L193-V197 WeakPolarHBondContact O-CG2 3.05Å; L193-V197 PolarHBondContact O-N 3.21Å
194	Q	81.2	Confident	81.6	Confident	118 Å²	118	80.8 Å²	80.8	55%	0.551	40%	0.403	S	S	*	.	H	α-helix	trans	-63.2	-46.5	-177.7	-177.3	63.5	22.5	0	0	111.4	N192 I196 V197 E198	N192-Q194 VanDerWaalsContact C-N 3.26Å; N192-Q194 PolarHBondContact O-N 3.41Å; N192-Q194 PolarHBondContact OD1-N 2.93Å; Q194-I196 VanDerWaalsContact C-N 3.3Å; Q194-I196 PolarHBondContact O-N 3.15Å; Q194-V197 PolarHBondContact O-N 3.09Å; Q194-E198 PolarHBondContact NE2-OE1 3Å; Q194-E198 WeakPolarHBondContact O-CG 2.99Å; Q194-E198 PolarHBondContact O-N 2.95Å
195	T	83.8	Confident	81.5	Confident	39 Å²	39	77.6 Å²	77.6	24%	0.239	39%	0.39	C	S	.	.	H	α-helix	trans	-67.4	-34.1	178.9	-48.5	0	0	0	0	111.7	E189 N192 L193 K199	E189-T195 HydrophobicContact CG-CG2 4.3Å; E189-T195 WeakPolarHBondContact OE2-CG2 3.38Å; N192-T195 VanDerWaalsContact CG-OG1 3.31Å; N192-T195 PolarHBondContact ND2-OG1 2.95Å; N192-T195 PolarHBondContact O-N 3.25Å; N192-T195 PolarHBondContact OD1-N 2.86Å; N192-T195 PolarHBondContact OD1-OG1 2.65Å; L193-T195 PolarHBondContact O-N 3.3Å; T195-K199 WeakPolarHBondContact O-CG 3.23Å; T195-K199 PolarHBondContact O-N 2.99Å; T195-K199 VanDerWaalsContact O-N 3.11Å
196	I	84.9	Confident	81.5	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-67	-46.5	175.8	-62	161.9	0	0	0	110.3	T166 L170 L185 V186 E189 N192 L193 Q194 E198 K199 L200	T166-I196 HydrophobicContact CG2-CD1 4.02Å; L170-I196 HydrophobicContact CD1-CG2 3.81Å; L170-I196 HydrophobicContact CD2-CB 4.5Å; L170-I196 HydrophobicContact CD2-CG2 3.77Å; L170-I196 HydrophobicContact CG-CG2 4.48Å; L185-I196 HydrophobicContact CB-CG2 4.27Å; V186-I196 HydrophobicContact CB-CD1 4.29Å; V186-I196 HydrophobicContact CG2-CD1 3.79Å; E189-I196 HydrophobicContact CB-CD1 4.3Å; E189-I196 HydrophobicContact CB-CG1 3.76Å; E189-I196 HydrophobicContact CG-CG1 3.84Å; N192-I196 WeakPolarHBondContact O-CD1 3.29Å; N192-I196 VanDerWaalsContact O-CG1 3.27Å; N192-I196 WeakPolarHBondContact O-CG1 3.41Å; N192-I196 PolarHBondContact O-N 3.02Å; N192-I196 VanDerWaalsContact O-N 3.1Å; L193-I196 PolarHBondContact O-N 3.27Å; Q194-I196 VanDerWaalsContact C-N 3.3Å; Q194-I196 PolarHBondContact O-N 3.15Å; I196-E198 VanDerWaalsContact C-N 3.34Å; I196-E198 PolarHBondContact O-N 3.08Å; I196-K199 PolarHBondContact O-N 2.88Å; I196-K199 VanDerWaalsContact O-N 3.15Å; I196-L200 HydrophobicContact CG2-CD1 3.76Å; I196-L200 HydrophobicContact CG2-CG 4.27Å; I196-L200 WeakPolarHBondContact O-CB 3.31Å; I196-L200 VanDerWaalsContact O-CG 3.32Å; I196-L200 WeakPolarHBondContact O-CG 3.2Å; I196-L200 PolarHBondContact O-N 3.03Å
197	V	85.8	Confident	81.3	Confident	33 Å²	33	85.2 Å²	85.2	20%	0.2	43%	0.427	C	S	.	.	H	α-helix	trans	-59.9	-43.9	177.2	170	0	0	0	0	111.1	L170 M173 F175 L193 Q194 K199 L200 A201	L170-V197 HydrophobicContact CD2-CG2 4.06Å; M173-V197 HydrophobicContact CE-CG2 3.43Å; M173-V197 VanDerWaalsContact CE-CG2 3.43Å; M173-V197 HydrophobicContact SD-CG2 3.82Å; F175-V197 HydrophobicContact CE2-CB 4.47Å; F175-V197 HydrophobicContact CE2-CG1 4.26Å; F175-V197 HydrophobicContact CE2-CG2 3.91Å; F175-V197 HydrophobicContact CZ-CB 4.45Å; F175-V197 HydrophobicContact CZ-CG1 4.04Å; F175-V197 HydrophobicContact CZ-CG2 4.37Å; L193-V197 HydrophobicContact CG-CG2 4.4Å; L193-V197 WeakPolarHBondContact O-CB 3.22Å; L193-V197 VanDerWaalsContact O-CG2 3.22Å; L193-V197 WeakPolarHBondContact O-CG2 3.05Å; L193-V197 PolarHBondContact O-N 3.21Å; Q194-V197 PolarHBondContact O-N 3.09Å; V197-K199 VanDerWaalsContact C-N 3.29Å; V197-K199 PolarHBondContact O-N 2.89Å; V197-L200 PolarHBondContact O-N 2.9Å; V197-A201 VanDerWaalsContact O-CB 3.25Å; V197-A201 WeakPolarHBondContact O-CB 3.5Å; V197-A201 PolarHBondContact O-N 3.18Å
198	E	86.1	Confident	81.3	Confident	99 Å²	99	83.9 Å²	83.9	46%	0.463	42%	0.42	S	S	.	.	H	α-helix	trans	-62.3	-34.3	176.2	-74.9	171.3	-166.7	0	0	113	Q194 I196 N202	Q194-E198 PolarHBondContact NE2-OE1 3Å; Q194-E198 WeakPolarHBondContact O-CG 2.99Å; Q194-E198 PolarHBondContact O-N 2.95Å; I196-E198 VanDerWaalsContact C-N 3.34Å; I196-E198 PolarHBondContact O-N 3.08Å; E198-N202 PolarHBondContact O-ND2 3.07Å
199	K	84.2	Confident	81.2	Confident	93 Å²	93	78.8 Å²	78.8	40%	0.404	40%	0.402	S	S	.	.	H	α-helix	trans	-77.5	-26.1	175.9	-75	-178.1	-177.4	179.5	0	113.6	L185 E189 T195 I196 V197	L185-K199 HydrophobicContact CD2-CB 4.35Å; L185-K199 HydrophobicContact CD2-CD 4.22Å; E189-K199 HydrophobicContact CG-CD 4.48Å; E189-K199 IonicContact OE1-NZ 2.6Å; E189-K199 PolarHBondContact OE1-NZ 3.46Å; E189-K199 IonicContact OE2-NZ 2.95Å; E189-K199 PolarHBondContact OE2-NZ 3.07Å; T195-K199 WeakPolarHBondContact O-CG 3.23Å; T195-K199 PolarHBondContact O-N 2.99Å; T195-K199 VanDerWaalsContact O-N 3.11Å; I196-K199 PolarHBondContact O-N 2.88Å; I196-K199 VanDerWaalsContact O-N 3.15Å; V197-K199 VanDerWaalsContact C-N 3.29Å; V197-K199 PolarHBondContact O-N 2.89Å
200	L	83.4	Confident	81.1	Confident	28 Å²	28	82.2 Å²	82.2	15%	0.147	42%	0.42	C	S	.	.	H	α-helix	trans	-89.4	-20.1	178.5	-69.1	176.3	0	0	0	113.2	L170 F175 Q177 L182 L185 I196 V197	L170-L200 HydrophobicContact CD2-CD1 4.03Å; F175-L200 HydrophobicContact CB-CD1 4.44Å; F175-L200 HydrophobicContact CD1-CB 3.65Å; F175-L200 HydrophobicContact CD1-CD1 3.8Å; F175-L200 HydrophobicContact CD1-CG 4.33Å; F175-L200 HydrophobicContact CD2-CD1 4.44Å; F175-L200 HydrophobicContact CE1-CB 3.32Å; F175-L200 HydrophobicContact CE1-CD1 4.15Å; F175-L200 HydrophobicContact CE1-CG 4.39Å; F175-L200 HydrophobicContact CG-CD1 3.96Å; F175-L200 HydrophobicContact CZ-CB 4.02Å; Q177-L200 HydrophobicContact CG-CD2 3.92Å; L182-L200 HydrophobicContact CD2-CD1 3.62Å; L182-L200 HydrophobicContact CD2-CD2 4.38Å; L185-L200 HydrophobicContact CD1-CD2 3.53Å; L185-L200 HydrophobicContact CD1-CG 4.12Å; I196-L200 HydrophobicContact CG2-CD1 3.76Å; I196-L200 HydrophobicContact CG2-CG 4.27Å; I196-L200 WeakPolarHBondContact O-CB 3.31Å; I196-L200 VanDerWaalsContact O-CG 3.32Å; I196-L200 WeakPolarHBondContact O-CG 3.2Å; I196-L200 PolarHBondContact O-N 3.03Å; V197-L200 PolarHBondContact O-N 2.9Å
201	A	80.3	Confident	81.4	Confident	75 Å²	75	69.7 Å²	69.7	62%	0.62	38%	0.382	S	S	*	.	H	α-helix	trans	-88.4	-15.9	178.2	0	0	0	0	0	114	V197	V197-A201 VanDerWaalsContact O-CB 3.25Å; V197-A201 WeakPolarHBondContact O-CB 3.5Å; V197-A201 PolarHBondContact O-N 3.18Å
202	N	72.8	Confident	82.3	Confident	193 Å²	193	74.4 Å²	74.4	100%	1.032	40%	0.4	S	S	*	.			trans	-98.3	0	174.5	-72.5	-45.3	0	0	0	111.3	E198	E198-N202 PolarHBondContact O-ND2 3.07Å

Retrieved 202 of 202 residues in 101.9 ms (Link to these results)

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