A0A5K4FB56_SCHMA Loading...

Peptidase_M13 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB56, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 220 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	30.3	Very low	35.8	Very low	228 Å²	228	157.4 Å²	157.4	100%	1.123	81%	0.812	S	S	*	*				0	87.2	0	-171.5	169.6	67.7	0	0	106.6
2	I	33.9	Very low	36.2	Very low	155 Å²	155	157.3 Å²	157.3	80%	0.795	81%	0.814	S	S	*	*			trans	-104.8	108.7	175.6	-61.8	173.5	0	0	0	103.9	E4	I2-E4 HydrophobicContact CG2-CG 4.19Å
3	L	29.9	Very low	36.4	Very low	144 Å²	144	157.1 Å²	157.1	75%	0.754	82%	0.815	S	S	*	*			trans	-90.2	96.7	167	-84.9	158.6	0	0	0	105.9	E5	L3-E5 PolarHBondContact O-N 2.92Å
4	E	34.4	Very low	37.8	Very low	173 Å²	173	152.9 Å²	152.9	81%	0.808	81%	0.805	S	S	*	*			trans	-72	97.9	158.2	-77.8	178.3	165.5	0	0	106.9	I2 T6	I2-E4 HydrophobicContact CG2-CG 4.19Å; E4-T6 PolarHBondContact O-N 3.33Å
5	E	38.2	Very low	40	Very low	167 Å²	167	154.6 Å²	154.6	78%	0.78	81%	0.807	S	S	*	*			trans	-80.4	101.8	167.2	-76.2	-175	169	0	0	108.7	L3 I7	L3-E5 PolarHBondContact O-N 2.92Å; E5-I7 PolarHBondContact O-N 3.26Å
6	T	35	Very low	42.3	Very low	114 Å²	114	148.3 Å²	148.3	70%	0.699	78%	0.777	S	S	*	*			trans	-56.3	112.3	163.8	45.7	0	0	0	0	109.8	E4 Q8	E4-T6 PolarHBondContact O-N 3.33Å; T6-Q8 PolarHBondContact O-N 2.82Å
7	I	42	Very low	44.9	Very low	155 Å²	155	141.4 Å²	141.4	80%	0.795	74%	0.744	S	S	*	*			trans	-68.9	99.6	167.2	-65.2	175.7	0	0	0	107.5	E5 N9	E5-I7 PolarHBondContact O-N 3.26Å; I7-N9 PolarHBondContact O-N 2.89Å
8	Q	39.3	Very low	47.3	Very low	159 Å²	159	138.9 Å²	138.9	74%	0.743	73%	0.732	S	S	*	*			trans	-63.1	115.9	168.5	-115.7	136.8	-45.8	0	0	109.6	T6 N10	T6-Q8 PolarHBondContact O-N 2.82Å; Q8-N10 VanDerWaalsContact C-N 3.32Å; Q8-N10 PolarHBondContact O-N 3.18Å
9	N	36.7	Very low	49.6	Very low	153 Å²	153	132.4 Å²	132.4	82%	0.818	70%	0.696	S	S	*	*			trans	-60.9	89.6	166.9	-87.3	-24.2	0	0	0	110.1	I7 T11	I7-N9 PolarHBondContact O-N 2.89Å; N9-T11 PolarHBondContact O-N 3.49Å
10	N	38	Very low	51.7	Low	158 Å²	158	125.8 Å²	125.8	85%	0.845	66%	0.662	S	S	*	*			trans	-78.7	99.4	164.1	-99.3	-19.2	0	0	0	109	Q8 N12	Q8-N10 VanDerWaalsContact C-N 3.32Å; Q8-N10 PolarHBondContact O-N 3.18Å; N10-N12 PolarHBondContact O-N 2.94Å
11	T	36.4	Very low	53.4	Low	125 Å²	125	124.6 Å²	124.6	77%	0.767	66%	0.655	S	S	*	*			trans	-67.1	104.4	165.1	25.9	0	0	0	0	109.2	N9	N9-T11 PolarHBondContact O-N 3.49Å
12	N	40.2	Very low	56	Low	156 Å²	156	115.2 Å²	115.2	83%	0.834	61%	0.609	S	S	*	*			trans	-173.4	117.1	152	-88.4	-28.8	0	0	0	111.1	N10	N10-N12 PolarHBondContact O-N 2.94Å
13	N	38.7	Very low	58.5	Low	155 Å²	155	109.6 Å²	109.6	83%	0.829	58%	0.579	S	S	*	*	S	Bend	trans	75	122	164.7	-72.4	-22.5	0	0	0	120.8
14	S	55.7	Low	61	Low	98 Å²	98	104.6 Å²	104.6	69%	0.685	55%	0.551	S	S	*	*	S	Bend	trans	74.9	117.8	-178.3	77.9	0	0	0	0	114.5	V16	S14-V16 VanDerWaalsContact C-N 3.3Å; S14-V16 PolarHBondContact O-N 3.46Å
15	H	71.2	Confident	63.4	Low	179 Å²	179	99.9 Å²	99.9	83%	0.829	53%	0.528	S	S	*	.			trans	-65.5	90.8	175	-173.8	-64.2	0	0	0	108.3	S17	H15-S17 PolarHBondContact O-N 3.35Å
16	V	76.7	Confident	65.8	Low	54 Å²	54	93 Å²	93	33%	0.327	50%	0.498	S	S	.	.			trans	-57	124.7	177.1	-180	0	0	0	0	107.8	S14 N18 C20 P206	S14-V16 VanDerWaalsContact C-N 3.3Å; S14-V16 PolarHBondContact O-N 3.46Å; V16-N18 PolarHBondContact O-N 3.14Å; V16-C20 HydrophobicContact CG1-CB 3.81Å; V16-P206 HydrophobicContact CG1-CG 4.1Å; V16-P206 HydrophobicContact CG2-CG 3.96Å
17	S	86.4	Confident	68.2	Low	31 Å²	31	89.1 Å²	89.1	22%	0.217	48%	0.478	C	S	.	.			trans	-59.2	136.1	178.5	178.7	0	0	0	0	109.6	H15 H19 C20 Y203	H15-S17 PolarHBondContact O-N 3.35Å; S17-H19 PolarHBondContact O-N 3.04Å; S17-H19 VanDerWaalsContact O-N 3.11Å; S17-H19 WeakPolarHBondContact OG-CB 3.33Å; S17-H19 PolarHBondContact OG-N 3.44Å; S17-H19 PolarHBondContact OG-ND1 3.07Å; S17-C20 WeakPolarHBondContact O-CB 3.34Å; S17-C20 PolarHBondContact O-N 2.91Å; S17-Y203 WeakPolarHBondContact CB-O 3.21Å
18	N	89.2	Confident	70.3	Confident	97 Å²	97	82.2 Å²	82.2	52%	0.519	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-58	-26.8	176.6	-71.7	-13.9	0	0	0	111.8	V16 C20 I21 D22 T26	V16-N18 PolarHBondContact O-N 3.14Å; N18-C20 PolarHBondContact O-N 3.4Å; N18-C20 VanDerWaalsContact O-N 3.07Å; N18-I21 PolarHBondContact O-N 3.4Å; N18-D22 PolarHBondContact O-N 3.01Å; N18-T26 HydrophobicContact CB-CG2 4.11Å; N18-T26 WeakPolarHBondContact CB-OG1 3.4Å; N18-T26 PolarHBondContact O-OG1 3.41Å
19	H	89.8	Confident	72.6	Confident	14 Å²	14	75.8 Å²	75.8	7%	0.065	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-56	-23.1	171.1	-63.9	92.4	0	0	0	113.7	S17 F23 T26 E30 Y203 M211	S17-H19 PolarHBondContact O-N 3.04Å; S17-H19 VanDerWaalsContact O-N 3.11Å; S17-H19 WeakPolarHBondContact OG-CB 3.33Å; S17-H19 PolarHBondContact OG-N 3.44Å; S17-H19 PolarHBondContact OG-ND1 3.07Å; H19-F23 AromaticContact CD2-CD2 3.96Å; H19-T26 WeakPolarHBondContact CE1-CG2 3.47Å; H19-T26 PolarHBondContact N-OG1 3.1Å; H19-T26 WeakPolarHBondContact NE2-CG2 3.31Å; H19-E30 IonicContact CE1-OE1 2.81Å; H19-E30 PolarHBondContact CE1-OE1 3.41Å; H19-E30 IonicContact NE2-OE1 3.47Å; H19-E30 PolarHBondContact NE2-OE1 2.83Å; H19-E30 IonicContact NE2-OE2 3.59Å; H19-Y203 HydrophobicContact CB-CD1 3.61Å; H19-Y203 HydrophobicContact CB-CE1 4.23Å; H19-Y203 HydrophobicContact CB-CG 3.97Å; H19-Y203 AromaticContact CD2-CD1 3.63Å; H19-Y203 AromaticContact CD2-CE1 3.35Å; H19-Y203 WeakPolarHBondContact CD2-CE1 3.42Å; H19-Y203 AromaticContact CE1-CE1 3.99Å; H19-Y203 AromaticContact CG-CD1 3.38Å; H19-Y203 AromaticContact CG-CE1 3.64Å; H19-Y203 AromaticContact ND1-CD1 3.73Å; H19-Y203 AromaticContact NE2-CE1 3.59Å; H19-M211 WeakPolarHBondContact O-CG 3.41Å
20	C	91.3	Very high	75	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-88.1	-16.3	-179.5	-52.1	0	0	0	0	113.2	V16 S17 N18 C205 P210 M211	V16-C20 HydrophobicContact CG1-CB 3.81Å; S17-C20 WeakPolarHBondContact O-CB 3.34Å; S17-C20 PolarHBondContact O-N 2.91Å; N18-C20 PolarHBondContact O-N 3.4Å; N18-C20 VanDerWaalsContact O-N 3.07Å; C20-C205 WeakPolarHBondContact CA-SG 3.43Å; C20-C205 HydrophobicContact CB-CB 3.68Å; C20-C205 WeakPolarHBondContact CB-SG 3.45Å; C20-C205 WeakPolarHBondContact SG-CA 3.25Å; C20-C205 WeakPolarHBondContact SG-CB 3.2Å; C20-C205 CovalentContact SG-SG 2.04Å; C20-C205 PolarHBondContact SG-SG 2.95Å; C20-P210 VanDerWaalsContact O-CD 3.3Å; C20-P210 WeakPolarHBondContact O-CD 3.27Å; C20-M211 PolarHBondContact O-N 2.86Å; C20-M211 VanDerWaalsContact O-N 3.09Å
21	I	88.8	Confident	77	Confident	101 Å²	101	70.1 Å²	70.1	52%	0.518	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-56.8	177.6	-58.9	169.8	0	0	0	108.8	N18	N18-I21 PolarHBondContact O-N 3.4Å
22	D	85	Confident	79.1	Confident	32 Å²	32	65.6 Å²	65.6	17%	0.171	35%	0.348	C	S	.	.			trans	-144.5	96.4	177.6	-166	-36.6	0	0	0	109.2	N18 Y24 E25 T26 R178	N18-D22 PolarHBondContact O-N 3.01Å; D22-Y24 VanDerWaalsContact C-N 3.27Å; D22-Y24 PolarHBondContact O-N 3.2Å; D22-Y24 PolarHBondContact OD1-N 2.46Å; D22-Y24 VanDerWaalsContact OD1-N 3.08Å; D22-E25 HydrophobicContact CB-CB 4.01Å; D22-E25 PolarHBondContact OD1-N 3.29Å; D22-T26 WeakPolarHBondContact O-CB 3.1Å; D22-T26 PolarHBondContact O-N 2.88Å; D22-T26 VanDerWaalsContact O-N 3.15Å; D22-T26 PolarHBondContact O-OG1 3.1Å; D22-R178 IonicContact OD2-CZ 3.09Å; D22-R178 IonicContact OD2-NE 2.84Å; D22-R178 PolarHBondContact OD2-NE 2.84Å; D22-R178 IonicContact OD2-NH2 2.71Å; D22-R178 PolarHBondContact OD2-NH2 3.39Å
23	F	86.3	Confident	81.1	Confident	37 Å²	37	66.4 Å²	66.4	16%	0.162	35%	0.345	C	S	.	.	H	α-helix	trans	-59.2	-39.8	179	170.1	-103.5	0	0	0	111.9	H19 T26 A27 L193 F199 Y203 M211	H19-F23 AromaticContact CD2-CD2 3.96Å; F23-T26 PolarHBondContact O-N 3.07Å; F23-A27 HydrophobicContact CZ-CB 4.33Å; F23-A27 VanDerWaalsContact O-CB 3.23Å; F23-A27 WeakPolarHBondContact O-CB 3.38Å; F23-A27 PolarHBondContact O-N 3.29Å; F23-L193 HydrophobicContact CD1-CD1 3.57Å; F23-L193 HydrophobicContact CE1-CD1 3.68Å; F23-L193 HydrophobicContact CG-CD1 4.2Å; F23-L193 HydrophobicContact CZ-CD1 4.4Å; F23-F199 HydrophobicContact CB-CZ 4.26Å; F23-F199 AromaticContact CD2-CE2 3.64Å; F23-F199 HydrophobicContact CD2-CE2 3.64Å; F23-F199 AromaticContact CD2-CZ 3.79Å; F23-F199 HydrophobicContact CD2-CZ 3.79Å; F23-F199 AromaticContact CE2-CE2 3.88Å; F23-F199 HydrophobicContact CE2-CE2 3.88Å; F23-F199 HydrophobicContact CE2-CZ 4.48Å; F23-F199 HydrophobicContact CG-CE2 4.18Å; F23-F199 HydrophobicContact CG-CZ 4.13Å; F23-Y203 HydrophobicContact CE2-CE2 4.35Å; F23-M211 HydrophobicContact CB-CE 3.76Å; F23-M211 HydrophobicContact CB-CG 4.35Å; F23-M211 HydrophobicContact CB-SD 4.25Å; F23-M211 HydrophobicContact CG-CE 4.46Å
24	Y	82.1	Confident	83.1	Confident	38 Å²	38	64.5 Å²	64.5	15%	0.149	34%	0.335	C	S	.	.	H	α-helix	trans	-75.1	-42.5	-172.4	-63.5	-72.2	0	0	0	112	D22 T26 A27 C28 L181 V189 T190	D22-Y24 VanDerWaalsContact C-N 3.27Å; D22-Y24 PolarHBondContact O-N 3.2Å; D22-Y24 PolarHBondContact OD1-N 2.46Å; D22-Y24 VanDerWaalsContact OD1-N 3.08Å; Y24-T26 VanDerWaalsContact C-N 3.28Å; Y24-T26 PolarHBondContact O-N 3.33Å; Y24-A27 PolarHBondContact O-N 3.44Å; Y24-C28 WeakPolarHBondContact O-CB 3.37Å; Y24-C28 PolarHBondContact O-N 3.22Å; Y24-L181 HydrophobicContact CD1-CD1 3.38Å; Y24-L181 HydrophobicContact CD2-CD1 4.17Å; Y24-L181 HydrophobicContact CE1-CD1 3.16Å; Y24-L181 HydrophobicContact CE1-CD2 4.42Å; Y24-L181 HydrophobicContact CE1-CG 4.32Å; Y24-L181 HydrophobicContact CE2-CB 4.35Å; Y24-L181 HydrophobicContact CE2-CD1 3.99Å; Y24-L181 HydrophobicContact CG-CD1 3.88Å; Y24-L181 VanDerWaalsContact CZ-CD1 3.47Å; Y24-V189 WeakPolarHBondContact OH-CB 3.45Å; Y24-V189 WeakPolarHBondContact OH-CG1 3.43Å; Y24-T190 HydrophobicContact CE2-CG2 4.33Å; Y24-T190 VanDerWaalsContact CE2-OG1 3.26Å; Y24-T190 WeakPolarHBondContact CE2-OG1 3.43Å; Y24-T190 PolarHBondContact OH-N 2.91Å; Y24-T190 PolarHBondContact OH-OG1 3.26Å
25	E	84.4	Confident	84	Confident	74 Å²	74	61.8 Å²	61.8	35%	0.346	31%	0.312	S	S	.	.	H	α-helix	trans	-61.7	-42.4	174	-176.2	56.5	-149.5	0	0	110.6	D22 C28 G29 R171	D22-E25 HydrophobicContact CB-CB 4.01Å; D22-E25 PolarHBondContact OD1-N 3.29Å; E25-C28 PolarHBondContact O-N 3.28Å; E25-G29 PolarHBondContact O-N 3.28Å; E25-R171 IonicContact OE1-NH1 3.07Å; E25-R171 PolarHBondContact OE1-NH1 2.81Å
26	T	88.2	Confident	84.1	Confident	24 Å²	24	57.7 Å²	57.7	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-46.7	177.8	-50	0	0	0	0	111.2	N18 H19 D22 F23 Y24 C28 G29 E30	N18-T26 HydrophobicContact CB-CG2 4.11Å; N18-T26 WeakPolarHBondContact CB-OG1 3.4Å; N18-T26 PolarHBondContact O-OG1 3.41Å; H19-T26 WeakPolarHBondContact CE1-CG2 3.47Å; H19-T26 PolarHBondContact N-OG1 3.1Å; H19-T26 WeakPolarHBondContact NE2-CG2 3.31Å; D22-T26 WeakPolarHBondContact O-CB 3.1Å; D22-T26 PolarHBondContact O-N 2.88Å; D22-T26 VanDerWaalsContact O-N 3.15Å; D22-T26 PolarHBondContact O-OG1 3.1Å; F23-T26 PolarHBondContact O-N 3.07Å; Y24-T26 VanDerWaalsContact C-N 3.28Å; Y24-T26 PolarHBondContact O-N 3.33Å; T26-C28 VanDerWaalsContact C-N 3.34Å; T26-C28 PolarHBondContact O-N 2.86Å; T26-G29 PolarHBondContact O-N 3.02Å; T26-E30 WeakPolarHBondContact O-CG 3.36Å; T26-E30 PolarHBondContact O-N 3.48Å
27	A	86.8	Confident	83.8	Confident	32 Å²	32	56.9 Å²	56.9	26%	0.264	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-39.2	178.1	0	0	0	0	0	112.4	F23 Y24 E30 W31	F23-A27 HydrophobicContact CZ-CB 4.33Å; F23-A27 VanDerWaalsContact O-CB 3.23Å; F23-A27 WeakPolarHBondContact O-CB 3.38Å; F23-A27 PolarHBondContact O-N 3.29Å; Y24-A27 PolarHBondContact O-N 3.44Å; A27-E30 PolarHBondContact O-N 2.8Å; A27-W31 WeakPolarHBondContact O-CB 3.34Å; A27-W31 PolarHBondContact O-N 3.24Å
28	C	85.5	Confident	82.9	Confident	9 Å²	9	58.7 Å²	58.7	6%	0.061	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-46	173.9	178.8	0	0	0	0	111.4	Y24 E25 T26 E30 W31 E32 C174	Y24-C28 WeakPolarHBondContact O-CB 3.37Å; Y24-C28 PolarHBondContact O-N 3.22Å; E25-C28 PolarHBondContact O-N 3.28Å; T26-C28 VanDerWaalsContact C-N 3.34Å; T26-C28 PolarHBondContact O-N 2.86Å; C28-E30 PolarHBondContact O-N 2.87Å; C28-W31 WeakPolarHBondContact O-CB 3.42Å; C28-W31 PolarHBondContact O-N 2.78Å; C28-E32 PolarHBondContact O-N 2.95Å; C28-C174 HydrophobicContact CB-CB 3.7Å; C28-C174 WeakPolarHBondContact CB-SG 3.39Å; C28-C174 WeakPolarHBondContact SG-CB 3.48Å; C28-C174 CovalentContact SG-SG 2.02Å; C28-C174 PolarHBondContact SG-SG 2.88Å
29	G	86.2	Confident	81.8	Confident	24 Å²	24	59.8 Å²	59.8	25%	0.247	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-40.6	177.7	0	0	0	0	0	113.3	E25 T26 E32 K33	E25-G29 PolarHBondContact O-N 3.28Å; T26-G29 PolarHBondContact O-N 3.02Å; G29-E32 PolarHBondContact O-N 2.72Å; G29-K33 WeakPolarHBondContact O-CB 3.49Å; G29-K33 PolarHBondContact O-N 3.12Å
30	E	87.3	Confident	80.6	Confident	89 Å²	89	64.7 Å²	64.7	42%	0.416	34%	0.339	S	S	.	.	H	α-helix	trans	-66.2	-39.4	174.3	-71.7	-169.6	162	0	0	112.2	H19 T26 A27 C28 K33 N34	H19-E30 IonicContact CE1-OE1 2.81Å; H19-E30 PolarHBondContact CE1-OE1 3.41Å; H19-E30 IonicContact NE2-OE1 3.47Å; H19-E30 PolarHBondContact NE2-OE1 2.83Å; H19-E30 IonicContact NE2-OE2 3.59Å; T26-E30 WeakPolarHBondContact O-CG 3.36Å; T26-E30 PolarHBondContact O-N 3.48Å; A27-E30 PolarHBondContact O-N 2.8Å; C28-E30 PolarHBondContact O-N 2.87Å; E30-K33 PolarHBondContact O-N 2.93Å; E30-N34 WeakPolarHBondContact O-CB 3.07Å; E30-N34 PolarHBondContact O-N 3.29Å; E30-N34 PolarHBondContact O-ND2 3.38Å; E30-N34 VanDerWaalsContact O-ND2 3.16Å
31	W	81.2	Confident	79	Confident	103 Å²	103	70.8 Å²	70.8	39%	0.39	37%	0.371	S	S	.	.	H	α-helix	trans	-60.9	-46.5	175.2	-171.8	94.1	0	0	0	111	A27 C28 K33 N34 N35 I164 L170	A27-W31 WeakPolarHBondContact O-CB 3.34Å; A27-W31 PolarHBondContact O-N 3.24Å; C28-W31 WeakPolarHBondContact O-CB 3.42Å; C28-W31 PolarHBondContact O-N 2.78Å; W31-K33 VanDerWaalsContact C-N 3.35Å; W31-K33 PolarHBondContact O-N 2.98Å; W31-N34 PolarHBondContact O-N 3.5Å; W31-N35 HydrophobicContact CD2-CB 4.26Å; W31-N35 HydrophobicContact CE3-CB 4.23Å; W31-N35 HydrophobicContact CH2-CB 4.06Å; W31-N35 HydrophobicContact CZ2-CB 4.11Å; W31-N35 HydrophobicContact CZ3-CB 4.12Å; W31-N35 VanDerWaalsContact O-CB 3.29Å; W31-N35 WeakPolarHBondContact O-CB 3.37Å; W31-N35 PolarHBondContact O-N 2.93Å; W31-N35 PolarHBondContact O-ND2 3.36Å; W31-I164 HydrophobicContact CH2-CD1 3.33Å; W31-I164 HydrophobicContact CZ2-CD1 4.08Å; W31-I164 HydrophobicContact CZ3-CD1 3.82Å; W31-L170 HydrophobicContact CE3-CD1 3.66Å; W31-L170 HydrophobicContact CE3-CD2 3.75Å; W31-L170 HydrophobicContact CE3-CG 4.36Å; W31-L170 HydrophobicContact CH2-CD1 4.39Å; W31-L170 HydrophobicContact CZ3-CD1 3.53Å; W31-L170 HydrophobicContact CZ3-CD2 3.65Å; W31-L170 HydrophobicContact CZ3-CG 4.21Å
32	E	79.8	Confident	77.7	Confident	30 Å²	30	67 Å²	67	14%	0.14	36%	0.356	C	S	.	.	H	α-helix	trans	-60.3	-44.1	177.3	-170.1	-174.9	144.1	0	0	111.8	C28 G29 N34 N35 R167 L170 R171	C28-E32 PolarHBondContact O-N 2.95Å; G29-E32 PolarHBondContact O-N 2.72Å; E32-N34 VanDerWaalsContact C-N 3.33Å; E32-N34 PolarHBondContact O-N 2.93Å; E32-N35 CarbonylContact O-C 3.6Å; E32-N35 PolarHBondContact O-N 2.94Å; E32-R167 IonicContact OE1-CZ 3.79Å; E32-R167 IonicContact OE1-NE 3.08Å; E32-R167 PolarHBondContact OE1-NE 3.4Å; E32-R167 IonicContact OE1-NH2 3.97Å; E32-R167 PolarHBondContact OE1-NH2 2.95Å; E32-L170 HydrophobicContact CB-CD2 3.8Å; E32-L170 HydrophobicContact CG-CD2 3.74Å; E32-R171 IonicContact OE2-CZ 2.76Å; E32-R171 IonicContact OE2-NE 2.68Å; E32-R171 PolarHBondContact OE2-NE 3.38Å; E32-R171 IonicContact OE2-NH2 2.65Å; E32-R171 PolarHBondContact OE2-NH2 3.42Å
33	K	82.5	Confident	76.5	Confident	174 Å²	174	68 Å²	68	76%	0.757	37%	0.365	S	S	*	.	H	α-helix	trans	-62.5	-38.8	177.9	-178.2	179.4	176.2	-175.8	0	112.7	G29 E30 W31	G29-K33 WeakPolarHBondContact O-CB 3.49Å; G29-K33 PolarHBondContact O-N 3.12Å; E30-K33 PolarHBondContact O-N 2.93Å; W31-K33 VanDerWaalsContact C-N 3.35Å; W31-K33 PolarHBondContact O-N 2.98Å
34	N	80.9	Confident	75.5	Confident	115 Å²	115	67.5 Å²	67.5	62%	0.615	36%	0.364	S	S	*	.	H	α-helix	trans	-86.9	-11.6	-178.1	-67.2	-32	0	0	0	113.3	E30 W31 E32 P36	E30-N34 WeakPolarHBondContact O-CB 3.07Å; E30-N34 PolarHBondContact O-N 3.29Å; E30-N34 PolarHBondContact O-ND2 3.38Å; E30-N34 VanDerWaalsContact O-ND2 3.16Å; W31-N34 PolarHBondContact O-N 3.5Å; E32-N34 VanDerWaalsContact C-N 3.33Å; E32-N34 PolarHBondContact O-N 2.93Å; N34-P36 VanDerWaalsContact C-CD 3.46Å
35	N	73.8	Confident	74.8	Confident	40 Å²	40	66.1 Å²	66.1	21%	0.214	36%	0.359	C	S	.	.	S	Bend	trans	-128.9	61.5	-179.5	-60.6	-85.7	0	0	0	110.6	W31 E32 L37	W31-N35 HydrophobicContact CD2-CB 4.26Å; W31-N35 HydrophobicContact CE3-CB 4.23Å; W31-N35 HydrophobicContact CH2-CB 4.06Å; W31-N35 HydrophobicContact CZ2-CB 4.11Å; W31-N35 HydrophobicContact CZ3-CB 4.12Å; W31-N35 VanDerWaalsContact O-CB 3.29Å; W31-N35 WeakPolarHBondContact O-CB 3.37Å; W31-N35 PolarHBondContact O-N 2.93Å; W31-N35 PolarHBondContact O-ND2 3.36Å; E32-N35 CarbonylContact O-C 3.6Å; E32-N35 PolarHBondContact O-N 2.94Å; N35-L37 PolarHBondContact O-N 3.37Å
36	P	74.1	Confident	73.8	Confident	93 Å²	93	67.8 Å²	67.8	60%	0.604	37%	0.374	S	S	*	.			trans	-56.5	132.8	-179.6	24.7	-34	0	0	0	110.4	N34	N34-P36 VanDerWaalsContact C-CD 3.46Å
37	L	70.1	Confident	72.7	Confident	38 Å²	38	69 Å²	69	20%	0.199	38%	0.38	C	S	.	.			trans	-73	141.4	172.5	-64.2	175.9	0	0	0	108.8	N35 N39 I164 R167	N35-L37 PolarHBondContact O-N 3.37Å; L37-N39 VanDerWaalsContact C-N 3.26Å; L37-N39 PolarHBondContact O-N 3.31Å; L37-I164 HydrophobicContact CD1-CG2 4.43Å; L37-R167 HydrophobicContact CD1-CB 4.31Å
38	P	66.8	Low	71.7	Confident	68 Å²	68	71.6 Å²	71.6	44%	0.442	39%	0.387	S	S	.	.	S	Bend	trans	-58	-37.4	-177.5	-24.2	32.2	0	0	0	113.6	A42 L44	P38-A42 HydrophobicContact CB-CB 4.2Å; P38-A42 HydrophobicContact CG-CB 4.3Å; P38-L44 HydrophobicContact CG-CD2 4.35Å
39	N	67.2	Low	70.8	Confident	121 Å²	121	74.7 Å²	74.7	65%	0.647	40%	0.397	S	S	*	.	S	Bend	trans	-149.9	162.2	173.5	-68.8	-42.2	0	0	0	108.2	L37 D41 A42	L37-N39 VanDerWaalsContact C-N 3.26Å; L37-N39 PolarHBondContact O-N 3.31Å; N39-D41 PolarHBondContact O-N 3.39Å; N39-D41 VanDerWaalsContact O-N 3.14Å; N39-A42 HydrophobicContact CB-CB 4.18Å; N39-A42 WeakPolarHBondContact O-CB 3.41Å; N39-A42 PolarHBondContact O-N 3.2Å
40	D	64	Low	69.9	Low	117 Å²	117	79.1 Å²	79.1	63%	0.626	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.6	-177.1	-74.3	-33.3	0	0	0	113.8
41	D	57.6	Low	69	Low	127 Å²	127	75.5 Å²	75.5	68%	0.679	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	6.4	179.9	-59.3	-40.7	0	0	0	114.1	N39 E165	N39-D41 PolarHBondContact O-N 3.39Å; N39-D41 VanDerWaalsContact O-N 3.14Å; D41-E165 CarbonylContact C-O 3.49Å
42	A	61.4	Low	68.4	Low	23 Å²	23	74.7 Å²	74.7	19%	0.19	40%	0.401	C	S	.	.			trans	-90.3	120.4	-172.4	0	0	0	0	0	112.3	P38 N39 E165	P38-A42 HydrophobicContact CB-CB 4.2Å; P38-A42 HydrophobicContact CG-CB 4.3Å; N39-A42 HydrophobicContact CB-CB 4.18Å; N39-A42 WeakPolarHBondContact O-CB 3.41Å; N39-A42 PolarHBondContact O-N 3.2Å; A42-E165 CarbonylContact C-O 3.59Å
43	S	61.3	Low	67.7	Low	52 Å²	52	78.1 Å²	78.1	36%	0.364	42%	0.42	S	S	.	.			trans	-81.4	125.4	167.8	80.1	0	0	0	0	111.4	I163 I164 E165	S43-I163 VanDerWaalsContact CB-CG2 3.49Å; S43-I164 WeakPolarHBondContact CA-O 3.23Å; S43-E165 PolarHBondContact N-O 3.29Å
44	L	64.7	Low	67	Low	27 Å²	27	71.8 Å²	71.8	14%	0.141	40%	0.396	C	S	.	.			trans	-135	104.5	177.2	-165.2	74.1	0	0	0	111.8	P38 Q48 R49 M52	P38-L44 HydrophobicContact CG-CD2 4.35Å; L44-Q48 HydrophobicContact CD1-CB 3.52Å; L44-Q48 HydrophobicContact CG-CB 4.34Å; L44-R49 HydrophobicContact CD2-CB 3.94Å; L44-R49 HydrophobicContact CD2-CG 4.31Å; L44-R49 HydrophobicContact CG-CB 4.24Å; L44-M52 HydrophobicContact CD1-SD 3.46Å; L44-M52 WeakPolarHBondContact CD1-SD 3.42Å; L44-M52 HydrophobicContact CD2-SD 4.3Å
45	T	66	Low	66.3	Low	8 Å²	8	68 Å²	68	5%	0.049	38%	0.375	C	S	.	.			trans	-73.3	158.6	169.9	63	0	0	0	0	111.1	L47 Q48 R49 L160 I163	T45-L47 PolarHBondContact O-N 2.85Å; T45-Q48 PolarHBondContact O-N 3.44Å; T45-Q48 VanDerWaalsContact O-N 3.13Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.34Å; T45-Q48 PolarHBondContact OG1-N 3.18Å; T45-Q48 PolarHBondContact OG1-OE1 3.05Å; T45-R49 PolarHBondContact O-N 3.13Å; T45-L160 HydrophobicContact CG2-CB 4.16Å; T45-L160 HydrophobicContact CG2-CD1 4.16Å; T45-I163 HydrophobicContact CG2-CB 4.39Å; T45-I163 HydrophobicContact CG2-CG1 3.6Å
46	T	64.3	Low	65.9	Low	109 Å²	109	70.3 Å²	70.3	67%	0.669	39%	0.388	S	S	*	.	H	α-helix	trans	-54.1	-35.6	171.1	-52.6	0	0	0	0	112.2	M50	T46-M50 WeakPolarHBondContact O-CB 3.41Å; T46-M50 PolarHBondContact O-N 3.43Å
47	L	64.8	Low	65.5	Low	49 Å²	49	70.1 Å²	70.1	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-71.4	-41.1	177.8	-66.8	-178.4	0	0	0	112.3	T45 M50 G51 L145 L149 L160	T45-L47 PolarHBondContact O-N 2.85Å; L47-M50 WeakPolarHBondContact O-CB 3.23Å; L47-M50 PolarHBondContact O-N 2.8Å; L47-G51 PolarHBondContact O-N 3.47Å; L47-L145 HydrophobicContact CD1-CD2 4.34Å; L47-L145 HydrophobicContact CD2-CD2 4.12Å; L47-L149 HydrophobicContact CD1-CD1 4.28Å; L47-L160 HydrophobicContact CB-CD1 4.36Å; L47-L160 HydrophobicContact CD1-CD1 3.63Å; L47-L160 HydrophobicContact CD1-CD2 3.72Å; L47-L160 HydrophobicContact CD1-CG 4.32Å; L47-L160 HydrophobicContact CG-CD1 4.32Å
48	Q	66.6	Low	65.3	Low	88 Å²	88	69.8 Å²	69.8	41%	0.411	37%	0.373	S	S	.	.	H	α-helix	trans	-63.4	-42.3	173	-74.5	163	-50.8	0	0	111.1	L44 T45 M50 G51 M52	L44-Q48 HydrophobicContact CD1-CB 3.52Å; L44-Q48 HydrophobicContact CG-CB 4.34Å; T45-Q48 PolarHBondContact O-N 3.44Å; T45-Q48 VanDerWaalsContact O-N 3.13Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.34Å; T45-Q48 PolarHBondContact OG1-N 3.18Å; T45-Q48 PolarHBondContact OG1-OE1 3.05Å; Q48-M50 VanDerWaalsContact C-N 3.32Å; Q48-M50 PolarHBondContact O-N 2.92Å; Q48-G51 PolarHBondContact O-N 3.31Å; Q48-M52 WeakPolarHBondContact O-CG 3.33Å; Q48-M52 PolarHBondContact O-N 3.42Å
49	R	66.4	Low	65.1	Low	74 Å²	74	70.3 Å²	70.3	28%	0.279	37%	0.366	S	S	.	.	H	α-helix	trans	-60.4	-42	174.5	-174	-179.1	-66.4	-106.6	-6.8	111.6	L44 T45 M52 N53	L44-R49 HydrophobicContact CD2-CB 3.94Å; L44-R49 HydrophobicContact CD2-CG 4.31Å; L44-R49 HydrophobicContact CG-CB 4.24Å; T45-R49 PolarHBondContact O-N 3.13Å; R49-M52 PolarHBondContact O-N 2.75Å; R49-N53 WeakPolarHBondContact O-CB 3.49Å; R49-N53 VanDerWaalsContact O-CG 3.27Å; R49-N53 PolarHBondContact O-N 3.48Å; R49-N53 PolarHBondContact O-ND2 2.65Å
50	M	67.2	Low	65	Low	116 Å²	116	71.3 Å²	71.3	57%	0.571	37%	0.365	S	S	*	.	H	α-helix	trans	-60.8	-48	173.9	-178.4	-179.4	173.6	0	0	110.9	T46 L47 Q48 N53 V54	T46-M50 WeakPolarHBondContact O-CB 3.41Å; T46-M50 PolarHBondContact O-N 3.43Å; L47-M50 WeakPolarHBondContact O-CB 3.23Å; L47-M50 PolarHBondContact O-N 2.8Å; Q48-M50 VanDerWaalsContact C-N 3.32Å; Q48-M50 PolarHBondContact O-N 2.92Å; M50-N53 PolarHBondContact O-N 2.82Å; M50-V54 VanDerWaalsContact O-CG2 3.32Å; M50-V54 WeakPolarHBondContact O-CG2 3.23Å; M50-V54 PolarHBondContact O-N 3.46Å
51	G	68.5	Low	64.9	Low	14 Å²	14	66.3 Å²	66.3	14%	0.144	34%	0.338	C	S	.	.	H	α-helix	trans	-54.1	-53.5	174.2	0	0	0	0	0	111.9	L47 Q48 N53 V54 D55	L47-G51 PolarHBondContact O-N 3.47Å; Q48-G51 PolarHBondContact O-N 3.31Å; G51-N53 VanDerWaalsContact C-N 3.32Å; G51-N53 PolarHBondContact O-N 2.76Å; G51-V54 CarbonylContact O-C 3.4Å; G51-V54 PolarHBondContact O-N 3.06Å; G51-V54 VanDerWaalsContact O-N 3.08Å; G51-D55 PolarHBondContact O-N 3.39Å
52	M	68.1	Low	65.1	Low	86 Å²	86	61.9 Å²	61.9	42%	0.424	31%	0.314	S	S	.	.	H	α-helix	trans	-57.6	-40.2	177.7	-69.3	174.4	73	0	0	113.2	L44 Q48 R49 V54 D55 N56	L44-M52 HydrophobicContact CD1-SD 3.46Å; L44-M52 WeakPolarHBondContact CD1-SD 3.42Å; L44-M52 HydrophobicContact CD2-SD 4.3Å; Q48-M52 WeakPolarHBondContact O-CG 3.33Å; Q48-M52 PolarHBondContact O-N 3.42Å; R49-M52 PolarHBondContact O-N 2.75Å; M52-V54 VanDerWaalsContact C-N 3.34Å; M52-D55 PolarHBondContact O-N 3.05Å; M52-N56 VanDerWaalsContact O-CB 3.27Å; M52-N56 WeakPolarHBondContact O-CB 3.39Å; M52-N56 PolarHBondContact O-N 3.07Å; M52-N56 PolarHBondContact O-ND2 2.94Å
53	N	66.3	Low	65.3	Low	101 Å²	101	64.3 Å²	64.3	54%	0.54	33%	0.326	S	S	.	.	H	α-helix	trans	-65.4	-40	177.4	-76.7	-16.5	0	0	0	111.8	R49 M50 G51 Y57	R49-N53 WeakPolarHBondContact O-CB 3.49Å; R49-N53 VanDerWaalsContact O-CG 3.27Å; R49-N53 PolarHBondContact O-N 3.48Å; R49-N53 PolarHBondContact O-ND2 2.65Å; M50-N53 PolarHBondContact O-N 2.82Å; G51-N53 VanDerWaalsContact C-N 3.32Å; G51-N53 PolarHBondContact O-N 2.76Å; N53-Y57 PolarHBondContact O-N 3.06Å; N53-Y57 VanDerWaalsContact O-N 3.13Å
54	V	68	Low	65.5	Low	41 Å²	41	64.3 Å²	64.3	25%	0.248	32%	0.32	C	S	.	.	H	α-helix	trans	-68.1	-45.2	175.9	176.8	0	0	0	0	110.1	M50 G51 M52 N56 Y57 F58 W141	M50-V54 VanDerWaalsContact O-CG2 3.32Å; M50-V54 WeakPolarHBondContact O-CG2 3.23Å; M50-V54 PolarHBondContact O-N 3.46Å; G51-V54 CarbonylContact O-C 3.4Å; G51-V54 PolarHBondContact O-N 3.06Å; G51-V54 VanDerWaalsContact O-N 3.08Å; M52-V54 VanDerWaalsContact C-N 3.34Å; V54-N56 PolarHBondContact O-N 3.29Å; V54-Y57 WeakPolarHBondContact O-CA 3.31Å; V54-Y57 VanDerWaalsContact O-CB 3.29Å; V54-Y57 WeakPolarHBondContact O-CB 3.49Å; V54-Y57 PolarHBondContact O-N 3.06Å; V54-F58 HydrophobicContact CG1-CD2 3.62Å; V54-F58 HydrophobicContact CG1-CE2 3.46Å; V54-F58 VanDerWaalsContact CG1-CE2 3.46Å; V54-F58 VanDerWaalsContact O-CD2 3.27Å; V54-F58 WeakPolarHBondContact O-CD2 3.18Å; V54-F58 PolarHBondContact O-N 3.01Å; V54-W141 HydrophobicContact CB-CZ2 4.18Å; V54-W141 HydrophobicContact CG1-CH2 3.85Å; V54-W141 HydrophobicContact CG1-CZ2 3.21Å
55	D	65.8	Low	65.2	Low	35 Å²	35	65.8 Å²	65.8	19%	0.187	33%	0.328	C	S	.	.	H	α-helix	trans	-60.6	-44.5	177.6	-64	-6.2	0	0	0	111.2	G51 M52 Y57 F58 W59 I139 W141	G51-D55 PolarHBondContact O-N 3.39Å; M52-D55 PolarHBondContact O-N 3.05Å; D55-Y57 PolarHBondContact O-N 3.14Å; D55-F58 PolarHBondContact O-N 2.87Å; D55-W59 WeakPolarHBondContact O-CB 2.98Å; D55-W59 PolarHBondContact O-N 2.91Å; D55-I139 WeakPolarHBondContact OD1-CB 3.44Å; D55-W141 PolarHBondContact OD1-NE1 2.64Å; D55-W141 VanDerWaalsContact OD1-NE1 3.07Å
56	N	65.2	Low	65.1	Low	90 Å²	90	71.9 Å²	71.9	48%	0.481	36%	0.356	S	S	.	.	H	α-helix	trans	-59.1	-35.8	173.9	-79.5	-29.2	0	0	0	112.5	M52 V54 K60	M52-N56 VanDerWaalsContact O-CB 3.27Å; M52-N56 WeakPolarHBondContact O-CB 3.39Å; M52-N56 PolarHBondContact O-N 3.07Å; M52-N56 PolarHBondContact O-ND2 2.94Å; V54-N56 PolarHBondContact O-N 3.29Å; N56-K60 WeakPolarHBondContact O-CG 3.27Å; N56-K60 PolarHBondContact O-N 3.42Å
57	Y	65.5	Low	65.2	Low	89 Å²	89	71.5 Å²	71.5	35%	0.349	35%	0.353	S	S	.	.	H	α-helix	trans	-68.1	-48	175	-175.1	-94.2	0	0	0	111	N53 V54 D55 W59 K60 I61 Y80 F81	N53-Y57 PolarHBondContact O-N 3.06Å; N53-Y57 VanDerWaalsContact O-N 3.13Å; V54-Y57 WeakPolarHBondContact O-CA 3.31Å; V54-Y57 VanDerWaalsContact O-CB 3.29Å; V54-Y57 WeakPolarHBondContact O-CB 3.49Å; V54-Y57 PolarHBondContact O-N 3.06Å; D55-Y57 PolarHBondContact O-N 3.14Å; Y57-W59 VanDerWaalsContact C-N 3.29Å; Y57-W59 PolarHBondContact O-N 3.32Å; Y57-K60 WeakPolarHBondContact O-CB 3.27Å; Y57-K60 PolarHBondContact O-N 3.4Å; Y57-I61 HydrophobicContact CD1-CD1 3.94Å; Y57-I61 HydrophobicContact CE1-CD1 3.66Å; Y57-I61 HydrophobicContact CE1-CG1 4.48Å; Y57-I61 WeakPolarHBondContact O-CG1 3.28Å; Y57-I61 PolarHBondContact O-N 2.85Å; Y57-Y80 AromaticContact CZ-CD1 3.93Å; Y57-Y80 WeakPolarHBondContact OH-CD1 3.37Å; Y57-Y80 PolarHBondContact OH-O 2.91Å; Y57-F81 HydrophobicContact CD1-CE1 4.05Å; Y57-F81 AromaticContact CD1-CZ 3.85Å; Y57-F81 HydrophobicContact CD1-CZ 3.85Å; Y57-F81 HydrophobicContact CE1-CD1 4.4Å; Y57-F81 AromaticContact CE1-CE1 3.68Å; Y57-F81 HydrophobicContact CE1-CE1 3.68Å; Y57-F81 HydrophobicContact CE1-CE2 4.24Å; Y57-F81 AromaticContact CE1-CZ 3.59Å; Y57-F81 HydrophobicContact CE1-CZ 3.59Å
58	F	65	Low	65.1	Low	30 Å²	30	72.5 Å²	72.5	13%	0.132	36%	0.357	C	S	.	.	H	α-helix	trans	-60.4	-38.1	174.4	-82.3	-77.3	0	0	0	112.6	V54 D55 K60 I61 I62 F81 W84 I139 W141	V54-F58 HydrophobicContact CG1-CD2 3.62Å; V54-F58 HydrophobicContact CG1-CE2 3.46Å; V54-F58 VanDerWaalsContact CG1-CE2 3.46Å; V54-F58 VanDerWaalsContact O-CD2 3.27Å; V54-F58 WeakPolarHBondContact O-CD2 3.18Å; V54-F58 PolarHBondContact O-N 3.01Å; D55-F58 PolarHBondContact O-N 2.87Å; F58-K60 VanDerWaalsContact C-N 3.34Å; F58-K60 PolarHBondContact O-N 3.03Å; F58-I61 WeakPolarHBondContact O-CA 3.47Å; F58-I61 WeakPolarHBondContact O-CB 3.29Å; F58-I61 PolarHBondContact O-N 3.36Å; F58-I61 VanDerWaalsContact O-N 3.1Å; F58-I62 WeakPolarHBondContact O-CG1 3.46Å; F58-I62 PolarHBondContact O-N 3.28Å; F58-F81 HydrophobicContact CD1-CE2 4.32Å; F58-F81 AromaticContact CD1-CZ 3.9Å; F58-F81 HydrophobicContact CD1-CZ 3.9Å; F58-F81 HydrophobicContact CE1-CE1 4.26Å; F58-F81 AromaticContact CE1-CE2 3.77Å; F58-F81 HydrophobicContact CE1-CE2 3.77Å; F58-F81 AromaticContact CE1-CZ 3.34Å; F58-F81 HydrophobicContact CE1-CZ 3.34Å; F58-F81 HydrophobicContact CE2-CE1 4.42Å; F58-F81 HydrophobicContact CE2-CZ 4.09Å; F58-F81 HydrophobicContact CG-CZ 4.48Å; F58-F81 AromaticContact CZ-CE1 3.93Å; F58-F81 HydrophobicContact CZ-CE1 3.93Å; F58-F81 HydrophobicContact CZ-CE2 4.27Å; F58-F81 AromaticContact CZ-CZ 3.45Å; F58-F81 HydrophobicContact CZ-CZ 3.45Å; F58-F81 VanDerWaalsContact CZ-CZ 3.45Å; F58-W84 HydrophobicContact CZ-CZ2 4.41Å; F58-I139 HydrophobicContact CB-CD1 3.56Å; F58-I139 HydrophobicContact CD1-CD1 4.01Å; F58-I139 HydrophobicContact CD2-CD1 3.14Å; F58-I139 HydrophobicContact CE1-CD1 4.5Å; F58-I139 HydrophobicContact CE2-CD1 3.74Å; F58-I139 HydrophobicContact CG-CD1 3.3Å; F58-I139 HydrophobicContact CZ-CD1 4.38Å; F58-W141 HydrophobicContact CE2-CH2 4.18Å; F58-W141 AromaticContact CE2-CZ2 3.92Å; F58-W141 HydrophobicContact CE2-CZ2 3.92Å
59	W	63.6	Low	64.7	Low	80 Å²	80	77.2 Å²	77.2	30%	0.303	38%	0.378	S	S	.	.	H	α-helix	trans	-60.2	-41.6	176	-90.4	118.3	0	0	0	113	D55 Y57 I61 I62 V63 A136 V137	D55-W59 WeakPolarHBondContact O-CB 2.98Å; D55-W59 PolarHBondContact O-N 2.91Å; Y57-W59 VanDerWaalsContact C-N 3.29Å; Y57-W59 PolarHBondContact O-N 3.32Å; W59-I61 VanDerWaalsContact C-N 3.27Å; W59-I61 PolarHBondContact O-N 3.27Å; W59-I62 HydrophobicContact CE3-CB 4.23Å; W59-I62 HydrophobicContact CE3-CD1 4.33Å; W59-I62 HydrophobicContact CE3-CG2 4.21Å; W59-I62 HydrophobicContact CZ3-CG2 4.01Å; W59-I62 PolarHBondContact O-N 2.78Å; W59-V63 VanDerWaalsContact O-CG2 3.31Å; W59-V63 WeakPolarHBondContact O-CG2 3.42Å; W59-V63 PolarHBondContact O-N 2.98Å; W59-A136 HydrophobicContact CH2-CB 4.28Å; W59-A136 HydrophobicContact CZ2-CB 3.78Å; W59-V137 HydrophobicContact CH2-CB 4.11Å; W59-V137 HydrophobicContact CH2-CG2 4.28Å; W59-V137 HydrophobicContact CZ2-CB 4.06Å; W59-V137 WeakPolarHBondContact CZ2-O 3.21Å; W59-V137 PolarHBondContact NE1-O 2.87Å
60	K	64.2	Low	64.4	Low	142 Å²	142	79.6 Å²	79.6	62%	0.617	40%	0.401	S	S	*	.	H	α-helix	trans	-59.3	-42.2	173.4	-71.1	172.2	-178.9	180	0	111.3	N56 Y57 F58 E64	N56-K60 WeakPolarHBondContact O-CG 3.27Å; N56-K60 PolarHBondContact O-N 3.42Å; Y57-K60 WeakPolarHBondContact O-CB 3.27Å; Y57-K60 PolarHBondContact O-N 3.4Å; F58-K60 VanDerWaalsContact C-N 3.34Å; F58-K60 PolarHBondContact O-N 3.03Å; K60-E64 WeakPolarHBondContact O-CG 3.34Å; K60-E64 PolarHBondContact O-N 2.96Å; K60-E64 VanDerWaalsContact O-N 3.1Å
61	I	62.8	Low	64.2	Low	11 Å²	11	78.3 Å²	78.3	6%	0.056	39%	0.39	C	S	.	.	H	α-helix	trans	-63.2	-50.5	176.7	-56.9	175.9	0	0	0	110.1	Y57 F58 W59 V63 E64 I65 L76 Y80 F81	Y57-I61 HydrophobicContact CD1-CD1 3.94Å; Y57-I61 HydrophobicContact CE1-CD1 3.66Å; Y57-I61 HydrophobicContact CE1-CG1 4.48Å; Y57-I61 WeakPolarHBondContact O-CG1 3.28Å; Y57-I61 PolarHBondContact O-N 2.85Å; F58-I61 WeakPolarHBondContact O-CA 3.47Å; F58-I61 WeakPolarHBondContact O-CB 3.29Å; F58-I61 PolarHBondContact O-N 3.36Å; F58-I61 VanDerWaalsContact O-N 3.1Å; W59-I61 VanDerWaalsContact C-N 3.27Å; W59-I61 PolarHBondContact O-N 3.27Å; I61-V63 VanDerWaalsContact C-N 3.35Å; I61-V63 PolarHBondContact O-N 3.49Å; I61-E64 WeakPolarHBondContact O-CA 3.31Å; I61-E64 WeakPolarHBondContact O-CB 3.46Å; I61-E64 PolarHBondContact O-N 3.29Å; I61-I65 HydrophobicContact CG2-CD1 4.25Å; I61-I65 HydrophobicContact CG2-CG1 4.28Å; I61-I65 WeakPolarHBondContact O-CG1 3.36Å; I61-I65 PolarHBondContact O-N 3.46Å; I61-L76 HydrophobicContact CG2-CB 4.37Å; I61-Y80 HydrophobicContact CB-CD2 4.26Å; I61-Y80 VanDerWaalsContact CD1-CB 3.48Å; I61-Y80 HydrophobicContact CD1-CD1 4.27Å; I61-Y80 HydrophobicContact CD1-CD2 3.83Å; I61-Y80 HydrophobicContact CD1-CG 3.57Å; I61-Y80 HydrophobicContact CG1-CD1 4.11Å; I61-Y80 HydrophobicContact CG1-CD2 3.55Å; I61-Y80 HydrophobicContact CG1-CE2 4.02Å; I61-Y80 HydrophobicContact CG1-CG 3.63Å; I61-Y80 HydrophobicContact CG2-CD2 3.92Å; I61-Y80 HydrophobicContact CG2-CE2 4.34Å; I61-F81 HydrophobicContact CD1-CD2 4.25Å; I61-F81 HydrophobicContact CD1-CE2 3.28Å; I61-F81 HydrophobicContact CD1-CZ 3.64Å
62	I	62.5	Low	63.9	Low	35 Å²	35	81.2 Å²	81.2	18%	0.179	41%	0.408	C	S	.	.	H	α-helix	trans	-56.6	-46.8	-179.1	-69.2	164.4	0	0	0	111.3	F58 W59 E64 I65 Q66 V137	F58-I62 WeakPolarHBondContact O-CG1 3.46Å; F58-I62 PolarHBondContact O-N 3.28Å; W59-I62 HydrophobicContact CE3-CB 4.23Å; W59-I62 HydrophobicContact CE3-CD1 4.33Å; W59-I62 HydrophobicContact CE3-CG2 4.21Å; W59-I62 HydrophobicContact CZ3-CG2 4.01Å; W59-I62 PolarHBondContact O-N 2.78Å; I62-E64 VanDerWaalsContact C-N 3.29Å; I62-E64 PolarHBondContact O-N 3.08Å; I62-I65 WeakPolarHBondContact O-CB 3.33Å; I62-I65 PolarHBondContact O-N 2.83Å; I62-I65 VanDerWaalsContact O-N 3.14Å; I62-Q66 WeakPolarHBondContact O-CG 3.41Å; I62-Q66 PolarHBondContact O-N 2.91Å; I62-V137 HydrophobicContact CD1-CB 3.77Å; I62-V137 HydrophobicContact CD1-CG1 3.88Å; I62-V137 HydrophobicContact CD1-CG2 3.91Å
63	V	65	Low	63.4	Low	73 Å²	73	80.2 Å²	80.2	44%	0.442	41%	0.409	S	S	.	.	H	α-helix	trans	-61.3	-38.5	177	170.8	0	0	0	0	111.2	W59 I61 Q66 T67	W59-V63 VanDerWaalsContact O-CG2 3.31Å; W59-V63 WeakPolarHBondContact O-CG2 3.42Å; W59-V63 PolarHBondContact O-N 2.98Å; I61-V63 VanDerWaalsContact C-N 3.35Å; I61-V63 PolarHBondContact O-N 3.49Å; V63-Q66 PolarHBondContact O-N 3.26Å; V63-T67 WeakPolarHBondContact O-CG2 3.2Å; V63-T67 PolarHBondContact O-N 3.43Å; V63-T67 PolarHBondContact O-OG1 2.99Å
64	E	64.6	Low	63.2	Low	53 Å²	53	78.8 Å²	78.8	25%	0.248	40%	0.399	C	S	.	.	H	α-helix	trans	-66.9	-38.4	173.7	-74.2	-177.7	-162.9	0	0	113.1	K60 I61 I62 Q66 T67 Q68 Y80	K60-E64 WeakPolarHBondContact O-CG 3.34Å; K60-E64 PolarHBondContact O-N 2.96Å; K60-E64 VanDerWaalsContact O-N 3.1Å; I61-E64 WeakPolarHBondContact O-CA 3.31Å; I61-E64 WeakPolarHBondContact O-CB 3.46Å; I61-E64 PolarHBondContact O-N 3.29Å; I62-E64 VanDerWaalsContact C-N 3.29Å; I62-E64 PolarHBondContact O-N 3.08Å; E64-Q66 VanDerWaalsContact C-N 3.3Å; E64-Q66 PolarHBondContact O-N 3.02Å; E64-T67 WeakPolarHBondContact CA-OG1 3.36Å; E64-T67 PolarHBondContact O-N 3.19Å; E64-T67 PolarHBondContact O-OG1 2.79Å; E64-Q68 WeakPolarHBondContact O-CB 3.4Å; E64-Q68 PolarHBondContact O-N 3.03Å; E64-Y80 PolarHBondContact OE1-OH 3.33Å; E64-Y80 WeakPolarHBondContact OE2-CE2 3.46Å; E64-Y80 PolarHBondContact OE2-OH 3.31Å
65	I	59.9	Low	63	Low	57 Å²	57	80.9 Å²	80.9	29%	0.292	41%	0.406	S	S	.	.	H	α-helix	trans	-59.8	-45	174.1	-42.4	-159	0	0	0	110.1	I61 I62 T67 Q68 L76	I61-I65 HydrophobicContact CG2-CD1 4.25Å; I61-I65 HydrophobicContact CG2-CG1 4.28Å; I61-I65 WeakPolarHBondContact O-CG1 3.36Å; I61-I65 PolarHBondContact O-N 3.46Å; I62-I65 WeakPolarHBondContact O-CB 3.33Å; I62-I65 PolarHBondContact O-N 2.83Å; I62-I65 VanDerWaalsContact O-N 3.14Å; I65-T67 VanDerWaalsContact C-N 3.32Å; I65-T67 PolarHBondContact O-N 2.87Å; I65-Q68 PolarHBondContact O-N 3.44Å; I65-L76 HydrophobicContact CB-CD1 4Å; I65-L76 HydrophobicContact CD1-CD1 3.63Å; I65-L76 HydrophobicContact CG1-CD1 3.43Å; I65-L76 VanDerWaalsContact CG1-CD1 3.43Å; I65-L76 HydrophobicContact CG2-CD1 3.92Å
66	Q	63.2	Low	62.8	Low	137 Å²	137	79.3 Å²	79.3	64%	0.64	40%	0.397	S	S	*	.	H	α-helix	trans	-68.1	-32.5	-177.4	-72.2	179.1	-21.7	0	0	112.6	I62 V63 E64	I62-Q66 WeakPolarHBondContact O-CG 3.41Å; I62-Q66 PolarHBondContact O-N 2.91Å; V63-Q66 PolarHBondContact O-N 3.26Å; E64-Q66 VanDerWaalsContact C-N 3.3Å; E64-Q66 PolarHBondContact O-N 3.02Å
67	T	66.7	Low	62.5	Low	100 Å²	100	76.4 Å²	76.4	61%	0.613	38%	0.381	S	S	*	.	H	α-helix	trans	-87	-21.3	-179.8	52.7	0	0	0	0	113.3	V63 E64 I65	V63-T67 WeakPolarHBondContact O-CG2 3.2Å; V63-T67 PolarHBondContact O-N 3.43Å; V63-T67 PolarHBondContact O-OG1 2.99Å; E64-T67 WeakPolarHBondContact CA-OG1 3.36Å; E64-T67 PolarHBondContact O-N 3.19Å; E64-T67 PolarHBondContact O-OG1 2.79Å; I65-T67 VanDerWaalsContact C-N 3.32Å; I65-T67 PolarHBondContact O-N 2.87Å
68	Q	62.1	Low	62.4	Low	70 Å²	70	75.2 Å²	75.2	33%	0.327	38%	0.381	S	S	.	.			trans	-118.7	90.2	-177.3	-60.8	-180	-4.1	0	0	111	E64 I65 V70 Y71	E64-Q68 WeakPolarHBondContact O-CB 3.4Å; E64-Q68 PolarHBondContact O-N 3.03Å; I65-Q68 PolarHBondContact O-N 3.44Å; Q68-V70 PolarHBondContact O-N 3.12Å; Q68-Y71 HydrophobicContact CB-CD2 3.95Å; Q68-Y71 HydrophobicContact CB-CE2 4.31Å; Q68-Y71 VanDerWaalsContact OE1-CD2 3.23Å
69	H	59	Low	62.2	Low	188 Å²	188	80.3 Å²	80.3	87%	0.87	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	5.9	174.9	-80.3	-61.8	0	0	0	115.6
70	V	59.7	Low	61.9	Low	123 Å²	123	79 Å²	79	75%	0.745	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-17.9	-166.8	-173.8	0	0	0	0	112.6	Q68	Q68-V70 PolarHBondContact O-N 3.12Å
71	Y	61.6	Low	61.4	Low	90 Å²	90	75.2 Å²	75.2	35%	0.353	38%	0.378	S	S	.	.			trans	-107	130.6	-174.4	-61.1	-64	0	0	0	112.5	Q68 H75	Q68-Y71 HydrophobicContact CB-CD2 3.95Å; Q68-Y71 HydrophobicContact CB-CE2 4.31Å; Q68-Y71 VanDerWaalsContact OE1-CD2 3.23Å; Y71-H75 HydrophobicContact CD1-CB 4.47Å; Y71-H75 AromaticContact CD1-CD2 3.1Å; Y71-H75 WeakPolarHBondContact CD1-CD2 3.46Å; Y71-H75 AromaticContact CD1-CG 3.86Å; Y71-H75 AromaticContact CD1-NE2 3.58Å; Y71-H75 AromaticContact CE1-CD2 3.62Å; Y71-H75 AromaticContact CE1-NE2 3.56Å; Y71-H75 AromaticContact CG-CD2 3.74Å
72	S	62.7	Low	61.2	Low	74 Å²	74	77 Å²	77	52%	0.517	40%	0.399	S	S	.	.			trans	-66.7	149.6	168.1	68.4	0	0	0	0	109.8	H74 H75 L76	S72-H74 PolarHBondContact O-N 3.07Å; S72-H75 WeakPolarHBondContact O-CB 3.48Å; S72-H75 PolarHBondContact O-N 2.76Å; S72-H75 PolarHBondContact OG-N 2.96Å; S72-L76 PolarHBondContact O-N 2.65Å
73	C	58.9	Low	60.9	Low	66 Å²	66	75.9 Å²	75.9	45%	0.446	40%	0.397	S	S	.	.	H	α-helix	trans	-51.9	-33.5	174.1	-68	0	0	0	0	112.3	L76 I77	C73-L76 PolarHBondContact O-N 2.86Å; C73-I77 VanDerWaalsContact O-CG1 3.28Å; C73-I77 WeakPolarHBondContact O-CG1 3.38Å; C73-I77 PolarHBondContact O-N 3.19Å
74	H	60.3	Low	60.6	Low	70 Å²	70	75.3 Å²	75.3	32%	0.324	39%	0.387	S	S	.	.	H	α-helix	trans	-59.2	-46.2	174	-171.8	-64.5	0	0	0	112	S72 L76 I77 D78	S72-H74 PolarHBondContact O-N 3.07Å; H74-L76 VanDerWaalsContact C-N 3.27Å; H74-L76 PolarHBondContact O-N 2.57Å; H74-I77 PolarHBondContact O-N 3.21Å; H74-D78 IonicContact CE1-OD1 2.94Å; H74-D78 IonicContact CE1-OD2 2.75Å; H74-D78 PolarHBondContact CE1-OD2 2.84Å; H74-D78 IonicContact ND1-OD1 2.93Å; H74-D78 IonicContact ND1-OD2 2.6Å; H74-D78 PolarHBondContact ND1-OD2 3.22Å; H74-D78 WeakPolarHBondContact O-CB 3.46Å; H74-D78 PolarHBondContact O-N 2.87Å
75	H	64.8	Low	60	Low	86 Å²	86	79 Å²	79	40%	0.398	40%	0.404	S	S	.	.	H	α-helix	trans	-62.6	-36.7	179.4	-170.7	76.5	0	0	0	112.1	Y71 S72 R79	Y71-H75 HydrophobicContact CD1-CB 4.47Å; Y71-H75 AromaticContact CD1-CD2 3.1Å; Y71-H75 WeakPolarHBondContact CD1-CD2 3.46Å; Y71-H75 AromaticContact CD1-CG 3.86Å; Y71-H75 AromaticContact CD1-NE2 3.58Å; Y71-H75 AromaticContact CE1-CD2 3.62Å; Y71-H75 AromaticContact CE1-NE2 3.56Å; Y71-H75 AromaticContact CG-CD2 3.74Å; S72-H75 WeakPolarHBondContact O-CB 3.48Å; S72-H75 PolarHBondContact O-N 2.76Å; S72-H75 PolarHBondContact OG-N 2.96Å; H75-R79 VanDerWaalsContact O-CB 3.23Å; H75-R79 WeakPolarHBondContact O-CB 3.49Å; H75-R79 PolarHBondContact O-N 3.09Å
76	L	62.1	Low	59.5	Low	1 Å²	1	82 Å²	82	1%	0.005	42%	0.42	C	S	.	.	H	α-helix	trans	-74	-41.2	179.7	-67.4	156.2	0	0	0	111.6	I61 I65 S72 C73 H74 D78 R79 Y80	I61-L76 HydrophobicContact CG2-CB 4.37Å; I65-L76 HydrophobicContact CB-CD1 4Å; I65-L76 HydrophobicContact CD1-CD1 3.63Å; I65-L76 HydrophobicContact CG1-CD1 3.43Å; I65-L76 VanDerWaalsContact CG1-CD1 3.43Å; I65-L76 HydrophobicContact CG2-CD1 3.92Å; S72-L76 PolarHBondContact O-N 2.65Å; C73-L76 PolarHBondContact O-N 2.86Å; H74-L76 VanDerWaalsContact C-N 3.27Å; H74-L76 PolarHBondContact O-N 2.57Å; L76-D78 VanDerWaalsContact C-N 3.33Å; L76-D78 PolarHBondContact O-N 3.28Å; L76-R79 PolarHBondContact O-N 3.41Å; L76-Y80 HydrophobicContact CD2-CE2 4.32Å; L76-Y80 WeakPolarHBondContact O-CB 3.15Å; L76-Y80 VanDerWaalsContact O-CD2 3.31Å; L76-Y80 WeakPolarHBondContact O-CD2 3.31Å; L76-Y80 PolarHBondContact O-N 3.16Å
77	I	57.6	Low	58.7	Low	29 Å²	29	82.9 Å²	82.9	15%	0.149	43%	0.428	C	S	.	.	H	α-helix	trans	-61.8	-43.9	173.9	-69.5	167.6	0	0	0	110.6	C73 H74 F81 W84 T110 L114	C73-I77 VanDerWaalsContact O-CG1 3.28Å; C73-I77 WeakPolarHBondContact O-CG1 3.38Å; C73-I77 PolarHBondContact O-N 3.19Å; H74-I77 PolarHBondContact O-N 3.21Å; I77-F81 HydrophobicContact CG2-CD2 4.5Å; I77-F81 WeakPolarHBondContact O-CA 3.45Å; I77-F81 WeakPolarHBondContact O-CB 3.44Å; I77-F81 PolarHBondContact O-N 3.27Å; I77-W84 VanDerWaalsContact CG2-CD1 3.44Å; I77-T110 HydrophobicContact CB-CG2 4.36Å; I77-T110 HydrophobicContact CD1-CG2 4.07Å; I77-T110 HydrophobicContact CG2-CG2 3.7Å; I77-L114 HydrophobicContact CD1-CD1 3.87Å
78	D	63.3	Low	57.6	Low	64 Å²	64	83 Å²	83	34%	0.342	43%	0.43	S	S	.	.	H	α-helix	trans	-62.5	-43.1	175.8	-76.4	-13.7	0	0	0	112.1	H74 L76 G82 G83	H74-D78 IonicContact CE1-OD1 2.94Å; H74-D78 IonicContact CE1-OD2 2.75Å; H74-D78 PolarHBondContact CE1-OD2 2.84Å; H74-D78 IonicContact ND1-OD1 2.93Å; H74-D78 IonicContact ND1-OD2 2.6Å; H74-D78 PolarHBondContact ND1-OD2 3.22Å; H74-D78 WeakPolarHBondContact O-CB 3.46Å; H74-D78 PolarHBondContact O-N 2.87Å; L76-D78 VanDerWaalsContact C-N 3.33Å; L76-D78 PolarHBondContact O-N 3.28Å; D78-G82 CarbonylContact O-C 3.28Å; D78-G82 WeakPolarHBondContact O-CA 3.2Å; D78-G82 PolarHBondContact O-N 2.99Å; D78-G83 WeakPolarHBondContact OD1-CA 3.38Å
79	R	62.3	Low	56.4	Low	137 Å²	137	83.3 Å²	83.3	52%	0.517	44%	0.44	S	S	.	.	H	α-helix	trans	-63.8	-44.2	-179	179.2	176.1	-179.7	159.5	-1.7	112.5	H75 L76	H75-R79 VanDerWaalsContact O-CB 3.23Å; H75-R79 WeakPolarHBondContact O-CB 3.49Å; H75-R79 PolarHBondContact O-N 3.09Å; L76-R79 PolarHBondContact O-N 3.41Å
80	Y	55.9	Low	55.4	Low	53 Å²	53	83.4 Å²	83.4	21%	0.208	45%	0.446	C	S	.	.	H	α-helix	trans	-90.8	-38.9	-172.7	-77.4	-65.9	0	0	0	113.4	Y57 I61 E64 L76	Y57-Y80 AromaticContact CZ-CD1 3.93Å; Y57-Y80 WeakPolarHBondContact OH-CD1 3.37Å; Y57-Y80 PolarHBondContact OH-O 2.91Å; I61-Y80 HydrophobicContact CB-CD2 4.26Å; I61-Y80 VanDerWaalsContact CD1-CB 3.48Å; I61-Y80 HydrophobicContact CD1-CD1 4.27Å; I61-Y80 HydrophobicContact CD1-CD2 3.83Å; I61-Y80 HydrophobicContact CD1-CG 3.57Å; I61-Y80 HydrophobicContact CG1-CD1 4.11Å; I61-Y80 HydrophobicContact CG1-CD2 3.55Å; I61-Y80 HydrophobicContact CG1-CE2 4.02Å; I61-Y80 HydrophobicContact CG1-CG 3.63Å; I61-Y80 HydrophobicContact CG2-CD2 3.92Å; I61-Y80 HydrophobicContact CG2-CE2 4.34Å; E64-Y80 PolarHBondContact OE1-OH 3.33Å; E64-Y80 WeakPolarHBondContact OE2-CE2 3.46Å; E64-Y80 PolarHBondContact OE2-OH 3.31Å; L76-Y80 HydrophobicContact CD2-CE2 4.32Å; L76-Y80 WeakPolarHBondContact O-CB 3.15Å; L76-Y80 VanDerWaalsContact O-CD2 3.31Å; L76-Y80 WeakPolarHBondContact O-CD2 3.31Å; L76-Y80 PolarHBondContact O-N 3.16Å
81	F	55.2	Low	54.4	Low	62 Å²	62	81.4 Å²	81.4	27%	0.272	44%	0.438	S	S	.	.	H	α-helix	trans	-106.2	1.9	-175.1	-60.2	-82.6	0	0	0	113.3	Y57 F58 I61 I77 G83	Y57-F81 HydrophobicContact CD1-CE1 4.05Å; Y57-F81 AromaticContact CD1-CZ 3.85Å; Y57-F81 HydrophobicContact CD1-CZ 3.85Å; Y57-F81 HydrophobicContact CE1-CD1 4.4Å; Y57-F81 AromaticContact CE1-CE1 3.68Å; Y57-F81 HydrophobicContact CE1-CE1 3.68Å; Y57-F81 HydrophobicContact CE1-CE2 4.24Å; Y57-F81 AromaticContact CE1-CZ 3.59Å; Y57-F81 HydrophobicContact CE1-CZ 3.59Å; F58-F81 HydrophobicContact CD1-CE2 4.32Å; F58-F81 AromaticContact CD1-CZ 3.9Å; F58-F81 HydrophobicContact CD1-CZ 3.9Å; F58-F81 HydrophobicContact CE1-CE1 4.26Å; F58-F81 AromaticContact CE1-CE2 3.77Å; F58-F81 HydrophobicContact CE1-CE2 3.77Å; F58-F81 AromaticContact CE1-CZ 3.34Å; F58-F81 HydrophobicContact CE1-CZ 3.34Å; F58-F81 HydrophobicContact CE2-CE1 4.42Å; F58-F81 HydrophobicContact CE2-CZ 4.09Å; F58-F81 HydrophobicContact CG-CZ 4.48Å; F58-F81 AromaticContact CZ-CE1 3.93Å; F58-F81 HydrophobicContact CZ-CE1 3.93Å; F58-F81 HydrophobicContact CZ-CE2 4.27Å; F58-F81 AromaticContact CZ-CZ 3.45Å; F58-F81 HydrophobicContact CZ-CZ 3.45Å; F58-F81 VanDerWaalsContact CZ-CZ 3.45Å; I61-F81 HydrophobicContact CD1-CD2 4.25Å; I61-F81 HydrophobicContact CD1-CE2 3.28Å; I61-F81 HydrophobicContact CD1-CZ 3.64Å; I77-F81 HydrophobicContact CG2-CD2 4.5Å; I77-F81 WeakPolarHBondContact O-CA 3.45Å; I77-F81 WeakPolarHBondContact O-CB 3.44Å; I77-F81 PolarHBondContact O-N 3.27Å; F81-G83 PolarHBondContact O-N 3.42Å; F81-G83 VanDerWaalsContact O-O 3.07Å
82	G	58	Low	53.4	Low	48 Å²	48	81.8 Å²	81.8	50%	0.495	45%	0.449	S	S	.	.	S	Bend	trans	70	10.1	-174	0	0	0	0	0	113.6	D78	D78-G82 CarbonylContact O-C 3.28Å; D78-G82 WeakPolarHBondContact O-CA 3.2Å; D78-G82 PolarHBondContact O-N 2.99Å
83	G	56.9	Low	52.1	Low	13 Å²	13	86.6 Å²	86.6	13%	0.134	47%	0.469	C	S	.	.			trans	77.8	146	-160.3	0	0	0	0	0	110.1	D78 F81 E85	D78-G83 WeakPolarHBondContact OD1-CA 3.38Å; F81-G83 PolarHBondContact O-N 3.42Å; F81-G83 VanDerWaalsContact O-O 3.07Å; G83-E85 PolarHBondContact O-N 3.49Å
84	W	58	Low	51.3	Low	61 Å²	61	88.8 Å²	88.8	23%	0.231	48%	0.475	C	S	.	.			trans	-77.1	80.3	174.1	-59	75.7	0	0	0	108.8	F58 I77 G108 L109 T110 L125 F126	F58-W84 HydrophobicContact CZ-CZ2 4.41Å; I77-W84 VanDerWaalsContact CG2-CD1 3.44Å; W84-G108 CarbonylContact O-C 3.49Å; W84-L109 HydrophobicContact CB-CB 3.64Å; W84-L109 WeakPolarHBondContact O-CB 3.32Å; W84-L109 PolarHBondContact O-N 2.75Å; W84-T110 VanDerWaalsContact CB-OG1 3.31Å; W84-T110 WeakPolarHBondContact CB-OG1 3.25Å; W84-T110 PolarHBondContact N-OG1 3.48Å; W84-L125 HydrophobicContact CE3-CD1 4.13Å; W84-L125 HydrophobicContact CH2-CD1 4.43Å; W84-L125 HydrophobicContact CZ3-CD1 3.66Å; W84-F126 AromaticContact CH2-CE1 3.78Å; W84-F126 HydrophobicContact CH2-CE1 3.78Å; W84-F126 HydrophobicContact CH2-CZ 4.39Å; W84-F126 HydrophobicContact CZ2-CE1 4.09Å; W84-F126 HydrophobicContact CZ2-CZ 4.25Å
85	E	51.7	Low	50.4	Low	131 Å²	131	93 Å²	93	61%	0.612	50%	0.5	S	S	*	.			trans	-69.4	137.7	165.3	-65.6	-170.7	170.7	0	0	108.2	G83 I87	G83-E85 PolarHBondContact O-N 3.49Å; E85-I87 PolarHBondContact O-N 2.91Å
86	L	49.2	Very low	49.2	Very low	120 Å²	120	93.7 Å²	93.7	63%	0.628	51%	0.507	S	S	*	.			trans	-52.9	129.2	165.4	-77.2	162.8	0	0	0	106.8	L109	L86-L109 HydrophobicContact CD2-CD1 3.93Å; L86-L109 HydrophobicContact CD2-CD2 3.68Å; L86-L109 HydrophobicContact CD2-CG 3.81Å; L86-L109 HydrophobicContact CG-CD1 4.42Å; L86-L109 HydrophobicContact CG-CD2 4.27Å; L86-L109 HydrophobicContact CG-CG 4.05Å
87	I	46.8	Very low	48.3	Very low	154 Å²	154	100.4 Å²	100.4	79%	0.79	55%	0.548	S	S	*	.			trans	-34.7	119.8	176.1	-61.7	170.7	0	0	0	107.9	E85 S89	E85-I87 PolarHBondContact O-N 2.91Å; I87-S89 PolarHBondContact O-N 3.03Å
88	P	44.3	Very low	47.7	Very low	102 Å²	102	106.1 Å²	106.1	66%	0.662	58%	0.579	S	S	*	*			trans	-52.8	122.8	-179.9	-21.3	29.4	0	0	0	107.1	L90	P88-L90 PolarHBondContact O-N 3.44Å; P88-L90 VanDerWaalsContact O-N 3.14Å
89	S	35.5	Very low	46.7	Very low	77 Å²	77	111.2 Å²	111.2	54%	0.538	60%	0.598	S	S	.	*			trans	-50	129.1	174.2	52.5	0	0	0	0	107.6	I87 S91	I87-S89 PolarHBondContact O-N 3.03Å; S89-S91 CarbonylContact O-C 3.39Å; S89-S91 VanDerWaalsContact O-C 3.28Å; S89-S91 PolarHBondContact O-N 2.91Å; S89-S91 PolarHBondContact OG-O 3.45Å; S89-S91 VanDerWaalsContact OG-O 3.1Å; S89-S91 PolarHBondContact OG-OG 3.36Å
90	L	39.4	Very low	45.7	Very low	191 Å²	191	113.7 Å²	113.7	100%	1	62%	0.615	S	S	*	*	S	Bend	trans	-57.1	-2.6	176.7	-82	155	0	0	0	113.2	P88	P88-L90 PolarHBondContact O-N 3.44Å; P88-L90 VanDerWaalsContact O-N 3.14Å
91	S	38	Very low	45.1	Very low	81 Å²	81	120.5 Å²	120.5	57%	0.566	65%	0.646	S	S	*	*			trans	-94.4	102.6	161.1	52.1	0	0	0	0	111	S89	S89-S91 CarbonylContact O-C 3.39Å; S89-S91 VanDerWaalsContact O-C 3.28Å; S89-S91 PolarHBondContact O-N 2.91Å; S89-S91 PolarHBondContact OG-O 3.45Å; S89-S91 VanDerWaalsContact OG-O 3.1Å; S89-S91 PolarHBondContact OG-OG 3.36Å
92	T	40.4	Very low	44.3	Very low	97 Å²	97	126.3 Å²	126.3	60%	0.595	67%	0.674	S	S	*	*			trans	159.5	81.3	132.6	45	0	0	0	0	110.7	I94	T92-I94 HydrophobicContact CG2-CD1 3.9Å; T92-I94 HydrophobicContact CG2-CG1 4.2Å; T92-I94 PolarHBondContact O-N 2.95Å
93	N	35.8	Very low	43.5	Very low	176 Å²	176	129.4 Å²	129.4	94%	0.941	69%	0.688	S	S	*	*			trans	-63.2	84.1	144.4	-93	-35.9	0	0	0	107.5
94	I	42.8	Very low	43	Very low	111 Å²	111	137 Å²	137	57%	0.569	72%	0.717	S	S	*	*			trans	-129.2	103.9	165.8	-59.9	-179.1	0	0	0	107	T92 N96	T92-I94 HydrophobicContact CG2-CD1 3.9Å; T92-I94 HydrophobicContact CG2-CG1 4.2Å; T92-I94 PolarHBondContact O-N 2.95Å; I94-N96 WeakPolarHBondContact CG2-ND2 3.45Å; I94-N96 PolarHBondContact O-N 2.84Å
95	N	39.8	Very low	42.2	Very low	159 Å²	159	141.6 Å²	141.6	85%	0.85	74%	0.743	S	S	*	*			trans	-41.4	100.4	161.9	-68.7	-26	0	0	0	109.6
96	N	40.4	Very low	42.2	Very low	101 Å²	101	140.9 Å²	140.9	54%	0.54	74%	0.743	S	S	.	*			trans	-140.3	86.9	170.9	-89.1	-32.7	0	0	0	108.3	I94 N98	I94-N96 WeakPolarHBondContact CG2-ND2 3.45Å; I94-N96 PolarHBondContact O-N 2.84Å; N96-N98 PolarHBondContact O-N 3.29Å
97	T	43.7	Very low	42.3	Very low	142 Å²	142	142.3 Å²	142.3	87%	0.871	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	12.9	173.1	34.1	0	0	0	0	114.6
98	N	44.9	Very low	42.9	Very low	148 Å²	148	136.2 Å²	136.2	79%	0.791	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.9	9.9	-177.4	-72	-27.4	0	0	0	115	N96 H100	N96-N98 PolarHBondContact O-N 3.29Å; N98-H100 VanDerWaalsContact C-N 3.32Å; N98-H100 PolarHBondContact O-N 2.92Å
99	K	41.7	Very low	43.6	Very low	172 Å²	172	132.9 Å²	132.9	75%	0.748	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-1.4	-178.7	-94.5	-173.4	177.1	-179.8	0	116.1	K101	K99-K101 VanDerWaalsContact C-N 3.35Å; K99-K101 PolarHBondContact O-N 2.68Å
100	H	41.8	Very low	44.6	Very low	189 Å²	189	129.7 Å²	129.7	88%	0.875	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	1.4	-167.5	-102.8	-64.7	0	0	0	117.4	N98	N98-H100 VanDerWaalsContact C-N 3.32Å; N98-H100 PolarHBondContact O-N 2.92Å
101	K	42.7	Very low	45.7	Very low	195 Å²	195	123.4 Å²	123.4	85%	0.848	65%	0.648	S	S	*	*	S	Bend	trans	-141.2	0.1	-172	-100.7	176.4	178.7	177	0	118.8	K99	K99-K101 VanDerWaalsContact C-N 3.35Å; K99-K101 PolarHBondContact O-N 2.68Å
102	Q	38.8	Very low	46.9	Very low	185 Å²	185	124.7 Å²	124.7	86%	0.864	65%	0.647	S	S	*	*	S	Bend	trans	-133	20.1	-164.3	-139	105.4	32.2	0	0	119
103	S	41	Very low	48.1	Very low	112 Å²	112	121.5 Å²	121.5	78%	0.783	63%	0.626	S	S	*	*	S	Bend	trans	-154	20.4	165.7	75.9	0	0	0	0	115.9	M105	S103-M105 VanDerWaalsContact C-N 3.31Å; S103-M105 PolarHBondContact O-N 2.81Å
104	K	46.8	Very low	49.4	Very low	174 Å²	174	115 Å²	115	76%	0.757	59%	0.591	S	S	*	*			trans	-84.4	6.7	-167.5	-143.5	177.9	-177.3	-177.3	0	115.6
105	M	41.6	Very low	50.6	Low	157 Å²	157	112.7 Å²	112.7	77%	0.773	58%	0.583	S	S	*	*	S	Bend	trans	-127.1	114.9	169.4	-83.5	167.5	83.8	0	0	106.8	S103	S103-M105 VanDerWaalsContact C-N 3.31Å; S103-M105 PolarHBondContact O-N 2.81Å
106	N	50.7	Low	51.7	Low	116 Å²	116	109 Å²	109	62%	0.62	56%	0.562	S	S	*	*	S	Bend	trans	142	-15.7	143.8	-65.2	-13.5	0	0	0	116.4
107	N	52.2	Low	52.7	Low	150 Å²	150	105.6 Å²	105.6	80%	0.802	54%	0.544	S	S	*	.			trans	-124.9	14.5	-174.2	-64	3.4	0	0	0	115.5
108	G	59.1	Low	53.7	Low	25 Å²	25	103.6 Å²	103.6	26%	0.258	53%	0.532	S	S	.	.	S	Bend	trans	-69.4	148.2	175.2	0	0	0	0	0	111.8	W84 T110 N111 L112	W84-G108 CarbonylContact O-C 3.49Å; G108-T110 PolarHBondContact O-N 3.2Å; G108-N111 PolarHBondContact O-N 3.08Å; G108-L112 PolarHBondContact O-N 3.11Å
109	L	58	Low	54.6	Low	32 Å²	32	104.2 Å²	104.2	17%	0.168	53%	0.529	C	S	.	.	H	α-helix	trans	-54.7	-24.2	171.1	-72.6	173.9	0	0	0	111.4	W84 L86 L112 F113	W84-L109 HydrophobicContact CB-CB 3.64Å; W84-L109 WeakPolarHBondContact O-CB 3.32Å; W84-L109 PolarHBondContact O-N 2.75Å; L86-L109 HydrophobicContact CD2-CD1 3.93Å; L86-L109 HydrophobicContact CD2-CD2 3.68Å; L86-L109 HydrophobicContact CD2-CG 3.81Å; L86-L109 HydrophobicContact CG-CD1 4.42Å; L86-L109 HydrophobicContact CG-CD2 4.27Å; L86-L109 HydrophobicContact CG-CG 4.05Å; L109-L112 HydrophobicContact CD2-CD2 4.19Å; L109-L112 PolarHBondContact O-N 3.05Å; L109-F113 HydrophobicContact CB-CD2 3.89Å; L109-F113 HydrophobicContact CB-CE2 3.95Å; L109-F113 HydrophobicContact CD1-CE2 4.41Å; L109-F113 HydrophobicContact CD2-CD2 4.1Å; L109-F113 HydrophobicContact CD2-CE2 3.31Å; L109-F113 HydrophobicContact CD2-CZ 3.96Å; L109-F113 HydrophobicContact CG-CE2 4.07Å; L109-F113 WeakPolarHBondContact O-CB 3.34Å; L109-F113 WeakPolarHBondContact O-CD2 2.89Å; L109-F113 PolarHBondContact O-N 3.13Å
110	T	57.6	Low	56	Low	10 Å²	10	99.3 Å²	99.3	6%	0.061	51%	0.514	C	S	.	.	H	α-helix	trans	-58.6	-51.7	172.7	-46.2	0	0	0	0	111.4	I77 W84 G108 L112 F113 L114	I77-T110 HydrophobicContact CB-CG2 4.36Å; I77-T110 HydrophobicContact CD1-CG2 4.07Å; I77-T110 HydrophobicContact CG2-CG2 3.7Å; W84-T110 VanDerWaalsContact CB-OG1 3.31Å; W84-T110 WeakPolarHBondContact CB-OG1 3.25Å; W84-T110 PolarHBondContact N-OG1 3.48Å; G108-T110 PolarHBondContact O-N 3.2Å; T110-L112 VanDerWaalsContact C-N 3.27Å; T110-L112 PolarHBondContact O-N 2.86Å; T110-F113 PolarHBondContact O-N 3.42Å; T110-L114 WeakPolarHBondContact O-CA 3.43Å; T110-L114 WeakPolarHBondContact O-CB 3.03Å; T110-L114 PolarHBondContact O-N 3.48Å
111	N	61.2	Low	57.1	Low	60 Å²	60	91 Å²	91	32%	0.321	48%	0.48	S	S	.	.	H	α-helix	trans	-69.6	-30.4	-179.3	-69.8	-17.8	0	0	0	111.8	G108 P115	G108-N111 PolarHBondContact O-N 3.08Å; N111-P115 VanDerWaalsContact O-CD 3.25Å; N111-P115 WeakPolarHBondContact O-CD 3.35Å
112	L	64.6	Low	58	Low	107 Å²	107	89 Å²	89	56%	0.56	47%	0.467	S	S	*	.	H	α-helix	trans	-69.8	-44.4	176.6	-174.4	65.2	0	0	0	112.1	G108 L109 T110	G108-L112 PolarHBondContact O-N 3.11Å; L109-L112 HydrophobicContact CD2-CD2 4.19Å; L109-L112 PolarHBondContact O-N 3.05Å; T110-L112 VanDerWaalsContact C-N 3.27Å; T110-L112 PolarHBondContact O-N 2.86Å
113	F	65.2	Low	59.3	Low	31 Å²	31	81 Å²	81	14%	0.136	43%	0.431	C	S	.	.	H	α-helix	trans	-99.1	-21.9	-172	-62.4	-51.1	0	0	0	114.3	L109 T110 I116 L117 P124	L109-F113 HydrophobicContact CB-CD2 3.89Å; L109-F113 HydrophobicContact CB-CE2 3.95Å; L109-F113 HydrophobicContact CD1-CE2 4.41Å; L109-F113 HydrophobicContact CD2-CD2 4.1Å; L109-F113 HydrophobicContact CD2-CE2 3.31Å; L109-F113 HydrophobicContact CD2-CZ 3.96Å; L109-F113 HydrophobicContact CG-CE2 4.07Å; L109-F113 WeakPolarHBondContact O-CB 3.34Å; L109-F113 WeakPolarHBondContact O-CD2 2.89Å; L109-F113 PolarHBondContact O-N 3.13Å; T110-F113 PolarHBondContact O-N 3.42Å; F113-I116 CarbonylContact O-C 3.57Å; F113-I116 PolarHBondContact O-N 3.16Å; F113-L117 HydrophobicContact CB-CD1 4.04Å; F113-L117 HydrophobicContact CB-CG 4.43Å; F113-L117 VanDerWaalsContact O-CB 3.31Å; F113-L117 WeakPolarHBondContact O-CB 3.04Å; F113-L117 WeakPolarHBondContact O-CG 3.46Å; F113-L117 PolarHBondContact O-N 2.87Å; F113-P124 VanDerWaalsContact CD1-CD 3.46Å; F113-P124 HydrophobicContact CD1-CG 4.13Å; F113-P124 HydrophobicContact CE1-CG 3.31Å; F113-P124 HydrophobicContact CE2-CG 4.47Å; F113-P124 HydrophobicContact CZ-CB 4.44Å; F113-P124 HydrophobicContact CZ-CG 3.53Å
114	L	63.9	Low	60.4	Low	40 Å²	40	78.6 Å²	78.6	21%	0.209	41%	0.413	C	S	.	.	H	α-helix	trans	-57.7	-42.7	-178.4	-173.4	66.6	0	0	0	112.5	I77 T110 I116 L117 T118	I77-L114 HydrophobicContact CD1-CD1 3.87Å; T110-L114 WeakPolarHBondContact O-CA 3.43Å; T110-L114 WeakPolarHBondContact O-CB 3.03Å; T110-L114 PolarHBondContact O-N 3.48Å; L114-I116 VanDerWaalsContact C-N 3.33Å; L114-I116 PolarHBondContact O-N 3.33Å; L114-L117 PolarHBondContact O-N 2.81Å; L114-T118 HydrophobicContact CD1-CG2 4.03Å; L114-T118 HydrophobicContact CG-CG2 4.27Å; L114-T118 WeakPolarHBondContact O-CB 3.4Å; L114-T118 VanDerWaalsContact O-CG2 3.23Å; L114-T118 WeakPolarHBondContact O-CG2 3.48Å; L114-T118 PolarHBondContact O-N 3.07Å; L114-T118 PolarHBondContact O-OG1 3.27Å
115	P	66.7	Low	61	Low	61 Å²	61	73.2 Å²	73.2	40%	0.396	39%	0.392	S	S	.	.	H	α-helix	trans	-62.3	-38.5	174.5	-23.5	35.1	0	0	0	113	N111 T118 Q119	N111-P115 VanDerWaalsContact O-CD 3.25Å; N111-P115 WeakPolarHBondContact O-CD 3.35Å; P115-T118 WeakPolarHBondContact CA-OG1 3.29Å; P115-T118 PolarHBondContact O-OG1 3.42Å; P115-Q119 WeakPolarHBondContact O-CB 3.26Å; P115-Q119 VanDerWaalsContact O-CG 3.23Å; P115-Q119 WeakPolarHBondContact O-CG 3.35Å; P115-Q119 PolarHBondContact O-N 3.43Å; P115-Q119 VanDerWaalsContact O-N 3.12Å; P115-Q119 PolarHBondContact O-NE2 2.83Å
116	I	62.7	Low	62.1	Low	81 Å²	81	66.2 Å²	66.2	42%	0.415	36%	0.357	S	S	.	.	H	α-helix	trans	-72.7	-44.5	-179.9	-56.7	177.7	0	0	0	110.2	F113 L114 Q119 T120 R122	F113-I116 CarbonylContact O-C 3.57Å; F113-I116 PolarHBondContact O-N 3.16Å; L114-I116 VanDerWaalsContact C-N 3.33Å; L114-I116 PolarHBondContact O-N 3.33Å; I116-Q119 PolarHBondContact O-N 2.99Å; I116-T120 HydrophobicContact CG2-CG2 4.47Å; I116-T120 WeakPolarHBondContact O-CB 3.35Å; I116-T120 PolarHBondContact O-N 3.08Å; I116-T120 PolarHBondContact O-OG1 2.76Å; I116-R122 WeakPolarHBondContact CG2-O 3.24Å
117	L	62.7	Low	62.7	Low	31 Å²	31	61.4 Å²	61.4	16%	0.162	33%	0.333	C	S	.	.	H	α-helix	trans	-60.7	-45	176.9	-81.2	167.6	0	0	0	111.3	F113 L114 G121 R122 F126 I128	F113-L117 HydrophobicContact CB-CD1 4.04Å; F113-L117 HydrophobicContact CB-CG 4.43Å; F113-L117 VanDerWaalsContact O-CB 3.31Å; F113-L117 WeakPolarHBondContact O-CB 3.04Å; F113-L117 WeakPolarHBondContact O-CG 3.46Å; F113-L117 PolarHBondContact O-N 2.87Å; L114-L117 PolarHBondContact O-N 2.81Å; L117-G121 WeakPolarHBondContact O-CA 3.41Å; L117-G121 PolarHBondContact O-N 2.75Å; L117-R122 PolarHBondContact N-O 3.44Å; L117-F126 HydrophobicContact CD1-CZ 4.34Å; L117-F126 HydrophobicContact CD2-CD2 4.36Å; L117-F126 HydrophobicContact CD2-CE2 3.66Å; L117-F126 HydrophobicContact CD2-CZ 4.22Å; L117-I128 HydrophobicContact CD2-CD1 4.19Å; L117-I128 HydrophobicContact CD2-CG1 4.47Å
118	T	63.7	Low	63.2	Low	100 Å²	100	57 Å²	57	61%	0.613	31%	0.308	S	S	*	.	H	α-helix	trans	-67.9	-36	178.6	49.6	0	0	0	0	112.9	L114 P115	L114-T118 HydrophobicContact CD1-CG2 4.03Å; L114-T118 HydrophobicContact CG-CG2 4.27Å; L114-T118 WeakPolarHBondContact O-CB 3.4Å; L114-T118 VanDerWaalsContact O-CG2 3.23Å; L114-T118 WeakPolarHBondContact O-CG2 3.48Å; L114-T118 PolarHBondContact O-N 3.07Å; L114-T118 PolarHBondContact O-OG1 3.27Å; P115-T118 WeakPolarHBondContact CA-OG1 3.29Å; P115-T118 PolarHBondContact O-OG1 3.42Å
119	Q	64	Low	63.5	Low	160 Å²	160	59.5 Å²	59.5	75%	0.748	31%	0.314	S	S	*	.	H	α-helix	trans	-82.4	-35.9	-179.2	-73.9	175.4	54.7	0	0	113.6	P115 I116	P115-Q119 WeakPolarHBondContact O-CB 3.26Å; P115-Q119 VanDerWaalsContact O-CG 3.23Å; P115-Q119 WeakPolarHBondContact O-CG 3.35Å; P115-Q119 PolarHBondContact O-N 3.43Å; P115-Q119 VanDerWaalsContact O-N 3.12Å; P115-Q119 PolarHBondContact O-NE2 2.83Å; I116-Q119 PolarHBondContact O-N 2.99Å
120	T	70.4	Confident	63.6	Low	70 Å²	70	63.6 Å²	63.6	43%	0.429	33%	0.334	S	S	.	.	H	α-helix	trans	-119.8	-12.9	-166.7	70	0	0	0	0	113.5	I116 R122	I116-T120 HydrophobicContact CG2-CG2 4.47Å; I116-T120 WeakPolarHBondContact O-CB 3.35Å; I116-T120 PolarHBondContact O-N 3.08Å; I116-T120 PolarHBondContact O-OG1 2.76Å; T120-R122 PolarHBondContact O-N 2.83Å; T120-R122 WeakPolarHBondContact OG1-CB 3.47Å; T120-R122 PolarHBondContact OG1-N 3.41Å
121	G	65.3	Low	63.6	Low	14 Å²	14	63.8 Å²	63.8	14%	0.144	34%	0.337	C	S	.	.	S	Bend	trans	62.3	25.9	-165.5	0	0	0	0	0	111.9	L117 S127 I128	L117-G121 WeakPolarHBondContact O-CA 3.41Å; L117-G121 PolarHBondContact O-N 2.75Å; G121-S127 CarbonylContact O-C 3.59Å; G121-S127 WeakPolarHBondContact O-CA 3.49Å; G121-S127 WeakPolarHBondContact O-CB 3.23Å; G121-I128 PolarHBondContact O-N 2.74Å
122	R	63	Low	63.5	Low	153 Å²	153	67.3 Å²	67.3	58%	0.577	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-128.6	145.4	-178.3	-57.1	-172.4	176.8	112.3	-2.3	112.6	I116 L117 T120	I116-R122 WeakPolarHBondContact CG2-O 3.24Å; L117-R122 PolarHBondContact N-O 3.44Å; T120-R122 PolarHBondContact O-N 2.83Å; T120-R122 WeakPolarHBondContact OG1-CB 3.47Å; T120-R122 PolarHBondContact OG1-N 3.41Å
123	S	65.4	Low	63	Low	16 Å²	16	68.6 Å²	68.6	11%	0.112	36%	0.363	C	S	.	.			trans	-135.2	166.5	163.3	71.7	0	0	0	0	109.6	L125 F126	S123-L125 PolarHBondContact O-N 3.27Å; S123-L125 VanDerWaalsContact O-N 3.07Å; S123-L125 PolarHBondContact OG-N 2.6Å; S123-L125 VanDerWaalsContact OG-N 3.12Å; S123-F126 PolarHBondContact N-O 3.02Å; S123-F126 PolarHBondContact O-N 3.2Å; S123-F126 VanDerWaalsContact O-O 3.13Å; S123-F126 PolarHBondContact OG-N 3.35Å; S123-F126 PolarHBondContact OG-O 3.45Å
124	P	63.5	Low	62.3	Low	62 Å²	62	72.4 Å²	72.4	40%	0.403	38%	0.384	S	S	.	.	S	Bend	trans	-59.9	-15	169.5	-26	37.7	0	0	0	114	F113	F113-P124 VanDerWaalsContact CD1-CD 3.46Å; F113-P124 HydrophobicContact CD1-CG 4.13Å; F113-P124 HydrophobicContact CE1-CG 3.31Å; F113-P124 HydrophobicContact CE2-CG 4.47Å; F113-P124 HydrophobicContact CZ-CB 4.44Å; F113-P124 HydrophobicContact CZ-CG 3.53Å
125	L	59.6	Low	61.7	Low	62 Å²	62	79.1 Å²	79.1	33%	0.325	41%	0.412	S	S	.	.	S	Bend	trans	-97.1	-30.6	-176.7	-63.1	179.5	0	0	0	114	W84 S123 V144	W84-L125 HydrophobicContact CE3-CD1 4.13Å; W84-L125 HydrophobicContact CH2-CD1 4.43Å; W84-L125 HydrophobicContact CZ3-CD1 3.66Å; S123-L125 PolarHBondContact O-N 3.27Å; S123-L125 VanDerWaalsContact O-N 3.07Å; S123-L125 PolarHBondContact OG-N 2.6Å; S123-L125 VanDerWaalsContact OG-N 3.12Å; L125-V144 VanDerWaalsContact C-CG2 3.42Å; L125-V144 HydrophobicContact CB-CG2 4.22Å; L125-V144 HydrophobicContact CD2-CG2 4.07Å; L125-V144 WeakPolarHBondContact O-CB 3.35Å; L125-V144 WeakPolarHBondContact O-CG2 3.46Å
126	F	64.2	Low	60.6	Low	9 Å²	9	77 Å²	77	4%	0.039	40%	0.399	C	S	.	.			trans	-169.5	160.1	-176.1	52.6	-92.4	0	0	0	110	W84 L117 S123 I128 I139 D140 W141	W84-F126 AromaticContact CH2-CE1 3.78Å; W84-F126 HydrophobicContact CH2-CE1 3.78Å; W84-F126 HydrophobicContact CH2-CZ 4.39Å; W84-F126 HydrophobicContact CZ2-CE1 4.09Å; W84-F126 HydrophobicContact CZ2-CZ 4.25Å; L117-F126 HydrophobicContact CD1-CZ 4.34Å; L117-F126 HydrophobicContact CD2-CD2 4.36Å; L117-F126 HydrophobicContact CD2-CE2 3.66Å; L117-F126 HydrophobicContact CD2-CZ 4.22Å; S123-F126 PolarHBondContact N-O 3.02Å; S123-F126 PolarHBondContact O-N 3.2Å; S123-F126 VanDerWaalsContact O-O 3.13Å; S123-F126 PolarHBondContact OG-N 3.35Å; S123-F126 PolarHBondContact OG-O 3.45Å; F126-I128 HydrophobicContact CD2-CG1 3.95Å; F126-I128 HydrophobicContact CE2-CD1 4Å; F126-I128 HydrophobicContact CE2-CG1 3.89Å; F126-I139 HydrophobicContact CB-CG2 3.66Å; F126-I139 HydrophobicContact CD2-CG2 3.74Å; F126-I139 HydrophobicContact CG-CG2 3.81Å; F126-D140 WeakPolarHBondContact CA-O 3.5Å; F126-W141 HydrophobicContact CB-CD2 4.3Å; F126-W141 HydrophobicContact CB-CE3 3.95Å; F126-W141 HydrophobicContact CB-CH2 4.27Å; F126-W141 HydrophobicContact CB-CZ3 3.96Å; F126-W141 HydrophobicContact CD1-CE3 4.42Å; F126-W141 AromaticContact CD1-CH2 3.58Å; F126-W141 HydrophobicContact CD1-CH2 3.58Å; F126-W141 HydrophobicContact CD1-CZ2 4.43Å; F126-W141 AromaticContact CD1-CZ3 3.59Å; F126-W141 HydrophobicContact CD1-CZ3 3.59Å; F126-W141 HydrophobicContact CE1-CH2 4.21Å; F126-W141 HydrophobicContact CE1-CZ3 4.5Å; F126-W141 HydrophobicContact CG-CH2 4.07Å; F126-W141 HydrophobicContact CG-CZ3 4.11Å
127	S	64	Low	60.1	Low	16 Å²	16	74.7 Å²	74.7	11%	0.112	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	154.1	162.1	46.9	0	0	0	0	111.6	G121 H129 I139 D140	G121-S127 CarbonylContact O-C 3.59Å; G121-S127 WeakPolarHBondContact O-CA 3.49Å; G121-S127 WeakPolarHBondContact O-CB 3.23Å; S127-H129 WeakPolarHBondContact CB-NE2 3.5Å; S127-H129 PolarHBondContact OG-NE2 3.27Å; S127-I139 CarbonylContact O-C 3.16Å; S127-I139 WeakPolarHBondContact O-CA 3.46Å; S127-D140 PolarHBondContact N-O 3.18Å; S127-D140 PolarHBondContact O-N 3.47Å; S127-D140 WeakPolarHBondContact OG-CB 3.37Å
128	I	63.3	Low	59.8	Low	56 Å²	56	77 Å²	77	29%	0.287	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.6	177.2	-58.3	-176	0	0	0	105.8	L117 G121 F126 V137 I138	L117-I128 HydrophobicContact CD2-CD1 4.19Å; L117-I128 HydrophobicContact CD2-CG1 4.47Å; G121-I128 PolarHBondContact O-N 2.74Å; F126-I128 HydrophobicContact CD2-CG1 3.95Å; F126-I128 HydrophobicContact CE2-CD1 4Å; F126-I128 HydrophobicContact CE2-CG1 3.89Å; I128-V137 HydrophobicContact CG2-CG1 3.36Å; I128-I138 CarbonylContact C-O 3.58Å; I128-I138 WeakPolarHBondContact CA-O 3.35Å
129	H	64.2	Low	59.8	Low	79 Å²	79	72.7 Å²	72.7	37%	0.366	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.1	174.8	-60.8	-84.7	0	0	0	109	S127 V137 I138	S127-H129 WeakPolarHBondContact CB-NE2 3.5Å; S127-H129 PolarHBondContact OG-NE2 3.27Å; H129-V137 WeakPolarHBondContact O-CA 3.49Å; H129-I138 HydrophobicContact CB-CB 4.44Å; H129-I138 PolarHBondContact N-O 2.91Å; H129-I138 PolarHBondContact O-N 3.43Å
130	I	60.7	Low	60	Low	117 Å²	117	67.7 Å²	67.7	60%	0.6	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	117.2	169.7	-59.2	175	0	0	0	106	D132 A136	I130-D132 PolarHBondContact O-N 3.15Å; I130-A136 WeakPolarHBondContact CA-O 3.16Å
131	A	58.2	Low	59.9	Low	14 Å²	14	66.8 Å²	66.8	12%	0.116	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	103.6	171.5	0	0	0	0	0	107.9	D133 I134 F135 A136 I138	A131-D133 WeakPolarHBondContact CB-OD1 3.49Å; A131-D133 PolarHBondContact O-N 3.47Å; A131-I134 HydrophobicContact CB-CD1 3.98Å; A131-I134 HydrophobicContact CB-CG1 3.54Å; A131-I134 PolarHBondContact O-N 3.45Å; A131-F135 WeakPolarHBondContact O-CA 3.43Å; A131-F135 PolarHBondContact O-N 3.2Å; A131-A136 HydrophobicContact CB-CB 4.37Å; A131-A136 PolarHBondContact N-O 3.43Å; A131-A136 PolarHBondContact O-N 3Å; A131-I138 HydrophobicContact CB-CD1 3.73Å; A131-I138 HydrophobicContact CB-CG1 4.26Å
132	D	57.4	Low	60	Low	135 Å²	135	69.6 Å²	69.6	72%	0.722	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.6	-173.2	-66	-34.5	0	0	0	113	I130	I130-D132 PolarHBondContact O-N 3.15Å
133	D	55	Low	60.1	Low	134 Å²	134	66.2 Å²	66.2	72%	0.717	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-31.8	-179.4	61.1	-33.9	0	0	0	113.4	A131	A131-D133 WeakPolarHBondContact CB-OD1 3.49Å; A131-D133 PolarHBondContact O-N 3.47Å
134	I	49.6	Very low	60.3	Low	110 Å²	110	67.1 Å²	67.1	56%	0.564	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	3.7	-177.4	55.3	168.1	0	0	0	113.6	A131 A136	A131-I134 HydrophobicContact CB-CD1 3.98Å; A131-I134 HydrophobicContact CB-CG1 3.54Å; A131-I134 PolarHBondContact O-N 3.45Å; I134-A136 HydrophobicContact CB-CB 4.33Å; I134-A136 HydrophobicContact CD1-CB 3.36Å; I134-A136 HydrophobicContact CG1-CB 3.47Å; I134-A136 VanDerWaalsContact CG1-CB 3.47Å; I134-A136 PolarHBondContact O-N 3.26Å
135	F	51.7	Low	60.5	Low	182 Å²	182	66.7 Å²	66.7	80%	0.798	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	41.2	-172.7	-70.2	-85	0	0	0	112.2	A131	A131-F135 WeakPolarHBondContact O-CA 3.43Å; A131-F135 PolarHBondContact O-N 3.2Å
136	A	43.7	Very low	61	Low	15 Å²	15	66.6 Å²	66.6	12%	0.124	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.9	-174.9	0	0	0	0	0	111.7	W59 I130 A131 I134	W59-A136 HydrophobicContact CH2-CB 4.28Å; W59-A136 HydrophobicContact CZ2-CB 3.78Å; I130-A136 WeakPolarHBondContact CA-O 3.16Å; A131-A136 HydrophobicContact CB-CB 4.37Å; A131-A136 PolarHBondContact N-O 3.43Å; A131-A136 PolarHBondContact O-N 3Å; I134-A136 HydrophobicContact CB-CB 4.33Å; I134-A136 HydrophobicContact CD1-CB 3.36Å; I134-A136 HydrophobicContact CG1-CB 3.47Å; I134-A136 VanDerWaalsContact CG1-CB 3.47Å; I134-A136 PolarHBondContact O-N 3.26Å
137	V	51.9	Low	61.3	Low	34 Å²	34	70.8 Å²	70.8	21%	0.206	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	115	164.2	-178.7	0	0	0	0	108.5	W59 I62 I128 H129	W59-V137 HydrophobicContact CH2-CB 4.11Å; W59-V137 HydrophobicContact CH2-CG2 4.28Å; W59-V137 HydrophobicContact CZ2-CB 4.06Å; W59-V137 WeakPolarHBondContact CZ2-O 3.21Å; W59-V137 PolarHBondContact NE1-O 2.87Å; I62-V137 HydrophobicContact CD1-CB 3.77Å; I62-V137 HydrophobicContact CD1-CG1 3.88Å; I62-V137 HydrophobicContact CD1-CG2 3.91Å; I128-V137 HydrophobicContact CG2-CG1 3.36Å; H129-V137 WeakPolarHBondContact O-CA 3.49Å
138	I	57.5	Low	61.6	Low	78 Å²	78	73.4 Å²	73.4	40%	0.4	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128	176	-58.9	179.9	0	0	0	108.3	I128 H129 A131	I128-I138 CarbonylContact C-O 3.58Å; I128-I138 WeakPolarHBondContact CA-O 3.35Å; H129-I138 HydrophobicContact CB-CB 4.44Å; H129-I138 PolarHBondContact N-O 2.91Å; H129-I138 PolarHBondContact O-N 3.43Å; A131-I138 HydrophobicContact CB-CD1 3.73Å; A131-I138 HydrophobicContact CB-CG1 4.26Å
139	I	63.2	Low	62	Low	10 Å²	10	71.7 Å²	71.7	5%	0.051	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114	173.6	-52.5	174.9	0	0	0	108.5	D55 F58 F126 S127 W141	D55-I139 WeakPolarHBondContact OD1-CB 3.44Å; F58-I139 HydrophobicContact CB-CD1 3.56Å; F58-I139 HydrophobicContact CD1-CD1 4.01Å; F58-I139 HydrophobicContact CD2-CD1 3.14Å; F58-I139 HydrophobicContact CE1-CD1 4.5Å; F58-I139 HydrophobicContact CE2-CD1 3.74Å; F58-I139 HydrophobicContact CG-CD1 3.3Å; F58-I139 HydrophobicContact CZ-CD1 4.38Å; F126-I139 HydrophobicContact CB-CG2 3.66Å; F126-I139 HydrophobicContact CD2-CG2 3.74Å; F126-I139 HydrophobicContact CG-CG2 3.81Å; S127-I139 CarbonylContact O-C 3.16Å; S127-I139 WeakPolarHBondContact O-CA 3.46Å; I139-W141 HydrophobicContact CB-CZ2 4.39Å; I139-W141 HydrophobicContact CG2-CD2 4.18Å; I139-W141 VanDerWaalsContact CG2-CE2 3.44Å; I139-W141 HydrophobicContact CG2-CH2 4.31Å; I139-W141 HydrophobicContact CG2-CZ2 3.49Å; I139-W141 VanDerWaalsContact CG2-CZ2 3.49Å; I139-W141 PolarHBondContact O-N 2.84Å
140	D	68.2	Low	62.5	Low	56 Å²	56	73.9 Å²	73.9	30%	0.299	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	105.2	177.3	-178.7	10.2	0	0	0	110.4	F126 S127 S142	F126-D140 WeakPolarHBondContact CA-O 3.5Å; S127-D140 PolarHBondContact N-O 3.18Å; S127-D140 PolarHBondContact O-N 3.47Å; S127-D140 WeakPolarHBondContact OG-CB 3.37Å; D140-S142 VanDerWaalsContact C-N 3.33Å; D140-S142 WeakPolarHBondContact OD1-CB 3.42Å; D140-S142 PolarHBondContact OD1-N 3.29Å; D140-S142 PolarHBondContact OD1-OG 3.37Å
141	W	67.9	Low	63.1	Low	51 Å²	51	76.5 Å²	76.5	19%	0.193	39%	0.388	C	S	.	.			trans	-84.3	-4.5	177.1	-62.5	97.6	0	0	0	113.5	V54 D55 F58 F126 I139 H143 V144 L145	V54-W141 HydrophobicContact CB-CZ2 4.18Å; V54-W141 HydrophobicContact CG1-CH2 3.85Å; V54-W141 HydrophobicContact CG1-CZ2 3.21Å; D55-W141 PolarHBondContact OD1-NE1 2.64Å; D55-W141 VanDerWaalsContact OD1-NE1 3.07Å; F58-W141 HydrophobicContact CE2-CH2 4.18Å; F58-W141 AromaticContact CE2-CZ2 3.92Å; F58-W141 HydrophobicContact CE2-CZ2 3.92Å; F126-W141 HydrophobicContact CB-CD2 4.3Å; F126-W141 HydrophobicContact CB-CE3 3.95Å; F126-W141 HydrophobicContact CB-CH2 4.27Å; F126-W141 HydrophobicContact CB-CZ3 3.96Å; F126-W141 HydrophobicContact CD1-CE3 4.42Å; F126-W141 AromaticContact CD1-CH2 3.58Å; F126-W141 HydrophobicContact CD1-CH2 3.58Å; F126-W141 HydrophobicContact CD1-CZ2 4.43Å; F126-W141 AromaticContact CD1-CZ3 3.59Å; F126-W141 HydrophobicContact CD1-CZ3 3.59Å; F126-W141 HydrophobicContact CE1-CH2 4.21Å; F126-W141 HydrophobicContact CE1-CZ3 4.5Å; F126-W141 HydrophobicContact CG-CH2 4.07Å; F126-W141 HydrophobicContact CG-CZ3 4.11Å; I139-W141 HydrophobicContact CB-CZ2 4.39Å; I139-W141 HydrophobicContact CG2-CD2 4.18Å; I139-W141 VanDerWaalsContact CG2-CE2 3.44Å; I139-W141 HydrophobicContact CG2-CH2 4.31Å; I139-W141 HydrophobicContact CG2-CZ2 3.49Å; I139-W141 VanDerWaalsContact CG2-CZ2 3.49Å; I139-W141 PolarHBondContact O-N 2.84Å; W141-H143 PolarHBondContact O-N 2.86Å; W141-H143 VanDerWaalsContact O-N 3.09Å; W141-V144 PolarHBondContact O-N 2.02Å; W141-V144 VanDerWaalsContact O-N 3.11Å; W141-L145 HydrophobicContact CB-CD1 4.13Å; W141-L145 HydrophobicContact CB-CG 4.35Å; W141-L145 WeakPolarHBondContact O-CG 2.94Å; W141-L145 PolarHBondContact O-N 3.44Å; W141-L145 VanDerWaalsContact O-N 3.08Å
142	S	67.8	Low	63.8	Low	73 Å²	73	80 Å²	80	51%	0.51	41%	0.408	S	S	.	.	H	α-helix	trans	-54.6	-38.1	-169.7	-58.6	0	0	0	0	112.3	D140 L145 E146	D140-S142 VanDerWaalsContact C-N 3.33Å; D140-S142 WeakPolarHBondContact OD1-CB 3.42Å; D140-S142 PolarHBondContact OD1-N 3.29Å; D140-S142 PolarHBondContact OD1-OG 3.37Å; S142-L145 PolarHBondContact O-N 3.19Å; S142-E146 VanDerWaalsContact O-CB 3.23Å; S142-E146 WeakPolarHBondContact O-CB 3.5Å; S142-E146 PolarHBondContact O-N 3.46Å
143	H	65.6	Low	64.4	Low	82 Å²	82	76.1 Å²	76.1	38%	0.38	40%	0.4	S	S	.	.	H	α-helix	trans	-65.7	-42.5	-178.7	-169.8	65.2	0	0	0	113.9	W141 K147	W141-H143 PolarHBondContact O-N 2.86Å; W141-H143 VanDerWaalsContact O-N 3.09Å; H143-K147 WeakPolarHBondContact NE2-CE 3.47Å; H143-K147 PolarHBondContact NE2-NZ 2.84Å; H143-K147 PolarHBondContact O-N 3.41Å; H143-K147 VanDerWaalsContact O-N 3.16Å
144	V	68.5	Low	64.8	Low	34 Å²	34	75.9 Å²	75.9	21%	0.206	39%	0.39	C	S	.	.	H	α-helix	trans	-70.9	-44.3	176.7	158.1	0	0	0	0	110.9	L125 W141 E146 K147 V148	L125-V144 VanDerWaalsContact C-CG2 3.42Å; L125-V144 HydrophobicContact CB-CG2 4.22Å; L125-V144 HydrophobicContact CD2-CG2 4.07Å; L125-V144 WeakPolarHBondContact O-CB 3.35Å; L125-V144 WeakPolarHBondContact O-CG2 3.46Å; W141-V144 PolarHBondContact O-N 2.02Å; W141-V144 VanDerWaalsContact O-N 3.11Å; V144-E146 VanDerWaalsContact C-N 3.3Å; V144-E146 PolarHBondContact O-N 2.93Å; V144-K147 PolarHBondContact O-N 2.87Å; V144-V148 HydrophobicContact CG1-CG2 4.08Å; V144-V148 WeakPolarHBondContact O-CB 3.3Å; V144-V148 VanDerWaalsContact O-CG2 3.31Å; V144-V148 WeakPolarHBondContact O-CG2 3.36Å; V144-V148 PolarHBondContact O-N 3.41Å
145	L	68.3	Low	65.5	Low	54 Å²	54	76.6 Å²	76.6	28%	0.283	40%	0.399	S	S	.	.	H	α-helix	trans	-60.3	-43.7	178.7	-65.8	177.6	0	0	0	110.6	L47 W141 S142 K147 V148 L149	L47-L145 HydrophobicContact CD1-CD2 4.34Å; L47-L145 HydrophobicContact CD2-CD2 4.12Å; W141-L145 HydrophobicContact CB-CD1 4.13Å; W141-L145 HydrophobicContact CB-CG 4.35Å; W141-L145 WeakPolarHBondContact O-CG 2.94Å; W141-L145 PolarHBondContact O-N 3.44Å; W141-L145 VanDerWaalsContact O-N 3.08Å; S142-L145 PolarHBondContact O-N 3.19Å; L145-K147 PolarHBondContact O-N 2.92Å; L145-V148 PolarHBondContact O-N 3.31Å; L145-L149 WeakPolarHBondContact O-CB 3.34Å; L145-L149 WeakPolarHBondContact O-CD1 3.31Å; L145-L149 WeakPolarHBondContact O-CG 3.34Å; L145-L149 PolarHBondContact O-N 2.89Å
146	E	69.4	Low	65.9	Low	60 Å²	60	74 Å²	74	28%	0.28	39%	0.394	S	S	.	.	H	α-helix	trans	-58.6	-46.5	175	-174.2	-174.1	-175.1	0	0	111.8	S142 V144 K150 Y157	S142-E146 VanDerWaalsContact O-CB 3.23Å; S142-E146 WeakPolarHBondContact O-CB 3.5Å; S142-E146 PolarHBondContact O-N 3.46Å; V144-E146 VanDerWaalsContact C-N 3.3Å; V144-E146 PolarHBondContact O-N 2.93Å; E146-K150 HydrophobicContact CG-CD 4.12Å; E146-K150 VanDerWaalsContact O-CB 3.29Å; E146-K150 WeakPolarHBondContact O-CB 3.38Å; E146-K150 VanDerWaalsContact O-CG 3.26Å; E146-K150 WeakPolarHBondContact O-CG 3.04Å; E146-K150 PolarHBondContact O-N 3.06Å; E146-K150 WeakPolarHBondContact OE1-CE 3.12Å; E146-K150 IonicContact OE1-NZ 3.18Å; E146-K150 PolarHBondContact OE1-NZ 3.42Å; E146-Y157 HydrophobicContact CG-CE1 4.41Å
147	K	70.3	Confident	66.6	Low	97 Å²	97	76.9 Å²	76.9	42%	0.422	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-47.6	178.3	-83.6	178.3	171.4	165.9	0	112.5	H143 V144 L145 K150 Q151	H143-K147 WeakPolarHBondContact NE2-CE 3.47Å; H143-K147 PolarHBondContact NE2-NZ 2.84Å; H143-K147 PolarHBondContact O-N 3.41Å; H143-K147 VanDerWaalsContact O-N 3.16Å; V144-K147 PolarHBondContact O-N 2.87Å; L145-K147 PolarHBondContact O-N 2.92Å; K147-K150 PolarHBondContact O-N 3.08Å; K147-Q151 WeakPolarHBondContact O-CB 3.47Å; K147-Q151 VanDerWaalsContact O-CG 3.3Å; K147-Q151 WeakPolarHBondContact O-CG 3.22Å; K147-Q151 PolarHBondContact O-N 3.37Å
148	V	70.6	Confident	66.7	Low	71 Å²	71	82.9 Å²	82.9	43%	0.43	43%	0.428	S	S	.	.	H	α-helix	trans	-62.5	-45.2	179.6	171.4	0	0	0	0	110.4	V144 L145 Q151 T152	V144-V148 HydrophobicContact CG1-CG2 4.08Å; V144-V148 WeakPolarHBondContact O-CB 3.3Å; V144-V148 VanDerWaalsContact O-CG2 3.31Å; V144-V148 WeakPolarHBondContact O-CG2 3.36Å; V144-V148 PolarHBondContact O-N 3.41Å; L145-V148 PolarHBondContact O-N 3.31Å; V148-Q151 PolarHBondContact O-N 2.84Å; V148-T152 WeakPolarHBondContact O-CB 3.47Å; V148-T152 WeakPolarHBondContact O-CG2 3.47Å; V148-T152 PolarHBondContact O-N 2.88Å; V148-T152 PolarHBondContact O-OG1 3.45Å
149	L	71.6	Confident	66.4	Low	20 Å²	20	87.2 Å²	87.2	11%	0.105	44%	0.444	C	S	.	.	H	α-helix	trans	-67.4	-42.3	179.9	-67.3	171.2	0	0	0	111.4	L47 L145 Q151 T152 G153 Y154 Y157	L47-L149 HydrophobicContact CD1-CD1 4.28Å; L145-L149 WeakPolarHBondContact O-CB 3.34Å; L145-L149 WeakPolarHBondContact O-CD1 3.31Å; L145-L149 WeakPolarHBondContact O-CG 3.34Å; L145-L149 PolarHBondContact O-N 2.89Å; L149-Q151 PolarHBondContact O-N 2.85Å; L149-T152 WeakPolarHBondContact CA-OG1 3.26Å; L149-T152 PolarHBondContact O-N 2.9Å; L149-T152 PolarHBondContact O-OG1 3.1Å; L149-T152 VanDerWaalsContact O-OG1 3.11Å; L149-G153 PolarHBondContact O-N 2.84Å; L149-Y154 HydrophobicContact CD2-CD2 4.25Å; L149-Y154 HydrophobicContact CD2-CG 4.05Å; L149-Y154 WeakPolarHBondContact O-CA 3.43Å; L149-Y154 WeakPolarHBondContact O-CB 3.39Å; L149-Y154 PolarHBondContact O-N 3.14Å; L149-Y157 VanDerWaalsContact CD1-CB 3.42Å; L149-Y157 HydrophobicContact CD1-CG 4.27Å
150	K	75.1	Confident	65.9	Low	125 Å²	125	88.8 Å²	88.8	54%	0.543	45%	0.452	S	S	.	.	H	α-helix	trans	-60.3	-45.8	172.6	-76.9	-179.1	-177.1	176	0	112.4	E146 K147 T152 G153	E146-K150 HydrophobicContact CG-CD 4.12Å; E146-K150 VanDerWaalsContact O-CB 3.29Å; E146-K150 WeakPolarHBondContact O-CB 3.38Å; E146-K150 VanDerWaalsContact O-CG 3.26Å; E146-K150 WeakPolarHBondContact O-CG 3.04Å; E146-K150 PolarHBondContact O-N 3.06Å; E146-K150 WeakPolarHBondContact OE1-CE 3.12Å; E146-K150 IonicContact OE1-NZ 3.18Å; E146-K150 PolarHBondContact OE1-NZ 3.42Å; K147-K150 PolarHBondContact O-N 3.08Å; K150-T152 VanDerWaalsContact C-N 3.27Å; K150-T152 PolarHBondContact O-N 2.79Å; K150-G153 PolarHBondContact O-N 3.21Å
151	Q	73.2	Confident	65.1	Low	171 Å²	171	91 Å²	91	80%	0.799	47%	0.469	S	S	*	.	H	α-helix	trans	-67	-27.4	-179.5	-76.5	-177.6	-23.8	0	0	113.4	K147 V148 L149	K147-Q151 WeakPolarHBondContact O-CB 3.47Å; K147-Q151 VanDerWaalsContact O-CG 3.3Å; K147-Q151 WeakPolarHBondContact O-CG 3.22Å; K147-Q151 PolarHBondContact O-N 3.37Å; V148-Q151 PolarHBondContact O-N 2.84Å; L149-Q151 PolarHBondContact O-N 2.85Å
152	T	73	Confident	64.4	Low	87 Å²	87	93.3 Å²	93.3	53%	0.534	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	2.7	177.1	51.1	0	0	0	0	113.5	V148 L149 K150 Y154	V148-T152 WeakPolarHBondContact O-CB 3.47Å; V148-T152 WeakPolarHBondContact O-CG2 3.47Å; V148-T152 PolarHBondContact O-N 2.88Å; V148-T152 PolarHBondContact O-OG1 3.45Å; L149-T152 WeakPolarHBondContact CA-OG1 3.26Å; L149-T152 PolarHBondContact O-N 2.9Å; L149-T152 PolarHBondContact O-OG1 3.1Å; L149-T152 VanDerWaalsContact O-OG1 3.11Å; K150-T152 VanDerWaalsContact C-N 3.27Å; K150-T152 PolarHBondContact O-N 2.79Å; T152-Y154 WeakPolarHBondContact OG1-CD2 3.29Å
153	G	71.1	Confident	63.8	Low	54 Å²	54	91.6 Å²	91.6	56%	0.557	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	11.4	178.3	0	0	0	0	0	114.8	L149 K150 V155	L149-G153 PolarHBondContact O-N 2.84Å; K150-G153 PolarHBondContact O-N 3.21Å; G153-V155 WeakPolarHBondContact O-CG2 3.45Å; G153-V155 PolarHBondContact O-N 3.41Å; G153-V155 VanDerWaalsContact O-N 3.17Å
154	Y	63.5	Low	63.5	Low	130 Å²	130	88.2 Å²	88.2	51%	0.51	45%	0.454	S	S	.	.			trans	-79.5	95.8	174.1	-81.5	-91.3	0	0	0	110.8	L149 T152	L149-Y154 HydrophobicContact CD2-CD2 4.25Å; L149-Y154 HydrophobicContact CD2-CG 4.05Å; L149-Y154 WeakPolarHBondContact O-CA 3.43Å; L149-Y154 WeakPolarHBondContact O-CB 3.39Å; L149-Y154 PolarHBondContact O-N 3.14Å; T152-Y154 WeakPolarHBondContact OG1-CD2 3.29Å
155	V	63.4	Low	63	Low	124 Å²	124	91.1 Å²	91.1	75%	0.752	47%	0.465	S	S	*	.			trans	-81.2	-25.8	-174.9	-144.7	0	0	0	0	113.2	G153	G153-V155 WeakPolarHBondContact O-CG2 3.45Å; G153-V155 PolarHBondContact O-N 3.41Å; G153-V155 VanDerWaalsContact O-N 3.17Å
156	N	60	Low	62.9	Low	129 Å²	129	92 Å²	92	69%	0.69	47%	0.468	S	S	*	.			trans	-113.7	51.5	-175.3	-74.4	-22.9	0	0	0	112.9	Q158 K159	N156-Q158 PolarHBondContact O-N 2.83Å; N156-K159 CarbonylContact O-C 3.58Å; N156-K159 PolarHBondContact O-N 3.11Å
157	Y	58	Low	63.1	Low	75 Å²	75	95.3 Å²	95.3	29%	0.294	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-65.1	-19	-178.1	61.3	-93	0	0	0	114.6	E146 L149 K159 L160	E146-Y157 HydrophobicContact CG-CE1 4.41Å; L149-Y157 VanDerWaalsContact CD1-CB 3.42Å; L149-Y157 HydrophobicContact CD1-CG 4.27Å; Y157-K159 PolarHBondContact O-N 3.26Å; Y157-L160 WeakPolarHBondContact O-CG 3.22Å; Y157-L160 PolarHBondContact O-N 3.27Å
158	Q	54.3	Low	63.5	Low	159 Å²	159	93.9 Å²	93.9	74%	0.743	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-68.7	-15.8	174.2	-65	166.6	-0.1	0	0	112.2	N156	N156-Q158 PolarHBondContact O-N 2.83Å
159	K	51.7	Low	63.6	Low	170 Å²	170	92.8 Å²	92.8	74%	0.739	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-122.2	56.5	173.8	-63.3	-175	179.8	-174.8	0	109.7	N156 Y157	N156-K159 CarbonylContact O-C 3.58Å; N156-K159 PolarHBondContact O-N 3.11Å; Y157-K159 PolarHBondContact O-N 3.26Å
160	L	52.6	Low	63.9	Low	42 Å²	42	92.4 Å²	92.4	22%	0.22	47%	0.468	C	S	.	.			trans	-47.5	129.4	171.4	-79.1	156.6	0	0	0	108.5	T45 L47 Y157 I162 I163	T45-L160 HydrophobicContact CG2-CB 4.16Å; T45-L160 HydrophobicContact CG2-CD1 4.16Å; L47-L160 HydrophobicContact CB-CD1 4.36Å; L47-L160 HydrophobicContact CD1-CD1 3.63Å; L47-L160 HydrophobicContact CD1-CD2 3.72Å; L47-L160 HydrophobicContact CD1-CG 4.32Å; L47-L160 HydrophobicContact CG-CD1 4.32Å; Y157-L160 WeakPolarHBondContact O-CG 3.22Å; Y157-L160 PolarHBondContact O-N 3.27Å; L160-I162 PolarHBondContact O-N 3.07Å; L160-I163 WeakPolarHBondContact O-CG1 3.46Å; L160-I163 PolarHBondContact O-N 2.99Å
161	P	51.2	Low	64.2	Low	103 Å²	103	90.4 Å²	90.4	67%	0.669	46%	0.457	S	S	*	.	S	Bend	trans	-67	-2.6	-162.2	21	-31.4	0	0	0	115.1
162	I	53.7	Low	64.7	Low	99 Å²	99	87.6 Å²	87.6	51%	0.508	44%	0.444	S	S	.	.			trans	-132.8	65.8	177.5	-44.5	176.1	0	0	0	108.7	L160 I164	L160-I162 PolarHBondContact O-N 3.07Å; I162-I164 HydrophobicContact CG2-CD1 4.19Å; I162-I164 HydrophobicContact CG2-CG1 4.17Å
163	I	54.9	Low	65	Low	38 Å²	38	87 Å²	87	20%	0.195	43%	0.432	C	S	.	.			trans	-85.6	108.2	157.6	-58.3	171.4	0	0	0	105.1	S43 T45 L160 E165 R173	S43-I163 VanDerWaalsContact CB-CG2 3.49Å; T45-I163 HydrophobicContact CG2-CB 4.39Å; T45-I163 HydrophobicContact CG2-CG1 3.6Å; L160-I163 WeakPolarHBondContact O-CG1 3.46Å; L160-I163 PolarHBondContact O-N 2.99Å; I163-E165 HydrophobicContact CB-CG 4.48Å; I163-E165 HydrophobicContact CG2-CG 3.5Å; I163-R173 VanDerWaalsContact C-NH1 3.35Å; I163-R173 PolarHBondContact O-NH1 3.47Å; I163-R173 PolarHBondContact O-NH2 3.41Å
164	I	59	Low	65.5	Low	11 Å²	11	85.6 Å²	85.6	6%	0.056	41%	0.414	C	S	.	.			trans	-90.6	101.1	165.2	-67.3	161.6	0	0	0	103.5	W31 L37 S43 I162 Q166 L170	W31-I164 HydrophobicContact CH2-CD1 3.33Å; W31-I164 HydrophobicContact CZ2-CD1 4.08Å; W31-I164 HydrophobicContact CZ3-CD1 3.82Å; L37-I164 HydrophobicContact CD1-CG2 4.43Å; S43-I164 WeakPolarHBondContact CA-O 3.23Å; I162-I164 HydrophobicContact CG2-CD1 4.19Å; I162-I164 HydrophobicContact CG2-CG1 4.17Å; I164-Q166 WeakPolarHBondContact CG2-O 3.23Å; I164-L170 HydrophobicContact CD1-CD1 3.89Å; I164-L170 HydrophobicContact CG2-CB 3.65Å
165	E	57.7	Low	66.4	Low	94 Å²	94	81.9 Å²	81.9	44%	0.439	41%	0.407	S	S	.	.			trans	-74.8	-34.2	-174.2	-53.2	178.3	-177.9	0	0	111.3	D41 A42 S43 I163 E169	D41-E165 CarbonylContact C-O 3.49Å; A42-E165 CarbonylContact C-O 3.59Å; S43-E165 PolarHBondContact N-O 3.29Å; I163-E165 HydrophobicContact CB-CG 4.48Å; I163-E165 HydrophobicContact CG2-CG 3.5Å; E165-E169 WeakPolarHBondContact CA-OE2 3.35Å; E165-E169 VanDerWaalsContact CB-CD 3.46Å; E165-E169 WeakPolarHBondContact CB-OE2 3.41Å; E165-E169 WeakPolarHBondContact CG-OE2 3.46Å; E165-E169 PolarHBondContact N-OE2 2.88Å
166	Q	67.3	Low	67.2	Low	72 Å²	72	80.3 Å²	80.3	34%	0.336	39%	0.391	S	S	.	.	S	Bend	trans	-146.1	161.8	-175.3	-58.8	-175.4	3.9	0	0	111.5	I164 S168 E169 L170	I164-Q166 WeakPolarHBondContact CG2-O 3.23Å; Q166-S168 VanDerWaalsContact CB-OG 3.26Å; Q166-S168 WeakPolarHBondContact CB-OG 3.33Å; Q166-S168 PolarHBondContact O-N 3.08Å; Q166-S168 PolarHBondContact OE1-OG 2.71Å; Q166-E169 HydrophobicContact CB-CG 4.34Å; Q166-E169 PolarHBondContact O-N 2.99Å; Q166-E169 VanDerWaalsContact O-N 3.08Å; Q166-L170 PolarHBondContact O-N 2.94Å
167	R	73.6	Confident	67.9	Low	131 Å²	131	81.5 Å²	81.5	49%	0.494	39%	0.387	S	S	.	.	H	α-helix	trans	-55.5	-38	171.1	-172.3	-177	-174.2	-178.8	6.3	111.9	E32 L37 L170 R171	E32-R167 IonicContact OE1-CZ 3.79Å; E32-R167 IonicContact OE1-NE 3.08Å; E32-R167 PolarHBondContact OE1-NE 3.4Å; E32-R167 IonicContact OE1-NH2 3.97Å; E32-R167 PolarHBondContact OE1-NH2 2.95Å; L37-R167 HydrophobicContact CD1-CB 4.31Å; R167-L170 PolarHBondContact O-N 2.75Å; R167-R171 WeakPolarHBondContact O-CG 3.35Å; R167-R171 PolarHBondContact O-N 3.11Å
168	S	77.4	Confident	68.7	Low	67 Å²	67	82.3 Å²	82.3	47%	0.469	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-43.3	175	51.8	0	0	0	0	111.9	Q166 R171 Q172	Q166-S168 VanDerWaalsContact CB-OG 3.26Å; Q166-S168 WeakPolarHBondContact CB-OG 3.33Å; Q166-S168 PolarHBondContact O-N 3.08Å; Q166-S168 PolarHBondContact OE1-OG 2.71Å; S168-R171 PolarHBondContact O-N 3.01Å; S168-Q172 WeakPolarHBondContact O-CB 3.42Å; S168-Q172 PolarHBondContact O-N 3.33Å
169	E	73.9	Confident	69.8	Low	48 Å²	48	78.6 Å²	78.6	22%	0.224	38%	0.375	C	S	.	.	H	α-helix	trans	-71	-36.7	177.7	-66	-169.5	166.1	0	0	113.2	E165 Q166 R171 Q172 R173	E165-E169 WeakPolarHBondContact CA-OE2 3.35Å; E165-E169 VanDerWaalsContact CB-CD 3.46Å; E165-E169 WeakPolarHBondContact CB-OE2 3.41Å; E165-E169 WeakPolarHBondContact CG-OE2 3.46Å; E165-E169 PolarHBondContact N-OE2 2.88Å; Q166-E169 HydrophobicContact CB-CG 4.34Å; Q166-E169 PolarHBondContact O-N 2.99Å; Q166-E169 VanDerWaalsContact O-N 3.08Å; E169-R171 PolarHBondContact O-N 3.38Å; E169-Q172 PolarHBondContact O-N 3.11Å; E169-R173 WeakPolarHBondContact O-CB 3.45Å; E169-R173 WeakPolarHBondContact O-CG 3.36Å; E169-R173 PolarHBondContact O-N 2.84Å
170	L	77.6	Confident	70.6	Confident	12 Å²	12	75.4 Å²	75.4	6%	0.063	37%	0.365	C	S	.	.	H	α-helix	trans	-55.6	-48.5	170	173.5	63.3	0	0	0	109.4	W31 E32 I164 Q166 R167 R173 C174	W31-L170 HydrophobicContact CE3-CD1 3.66Å; W31-L170 HydrophobicContact CE3-CD2 3.75Å; W31-L170 HydrophobicContact CE3-CG 4.36Å; W31-L170 HydrophobicContact CH2-CD1 4.39Å; W31-L170 HydrophobicContact CZ3-CD1 3.53Å; W31-L170 HydrophobicContact CZ3-CD2 3.65Å; W31-L170 HydrophobicContact CZ3-CG 4.21Å; E32-L170 HydrophobicContact CB-CD2 3.8Å; E32-L170 HydrophobicContact CG-CD2 3.74Å; I164-L170 HydrophobicContact CD1-CD1 3.89Å; I164-L170 HydrophobicContact CG2-CB 3.65Å; Q166-L170 PolarHBondContact O-N 2.94Å; R167-L170 PolarHBondContact O-N 2.75Å; L170-R173 PolarHBondContact O-N 2.89Å; L170-C174 WeakPolarHBondContact O-CB 3.47Å; L170-C174 PolarHBondContact O-N 2.82Å; L170-C174 PolarHBondContact O-SG 3.39Å
171	R	81.4	Confident	71.3	Confident	83 Å²	83	74.6 Å²	74.6	31%	0.313	36%	0.361	S	S	.	.	H	α-helix	trans	-65.9	-39.4	-179.7	-70.5	-64	-178.3	164.9	-2.7	112.3	E25 E32 R167 S168 E169 C174 S175	E25-R171 IonicContact OE1-NH1 3.07Å; E25-R171 PolarHBondContact OE1-NH1 2.81Å; E32-R171 IonicContact OE2-CZ 2.76Å; E32-R171 IonicContact OE2-NE 2.68Å; E32-R171 PolarHBondContact OE2-NE 3.38Å; E32-R171 IonicContact OE2-NH2 2.65Å; E32-R171 PolarHBondContact OE2-NH2 3.42Å; R167-R171 WeakPolarHBondContact O-CG 3.35Å; R167-R171 PolarHBondContact O-N 3.11Å; S168-R171 PolarHBondContact O-N 3.01Å; E169-R171 PolarHBondContact O-N 3.38Å; R171-C174 PolarHBondContact O-N 3.33Å; R171-S175 PolarHBondContact O-N 2.81Å
172	Q	83.3	Confident	72.1	Confident	112 Å²	112	74.7 Å²	74.7	52%	0.523	36%	0.356	S	S	.	.	H	α-helix	trans	-59.4	-50.4	172.1	-177.6	-178.4	-19.7	0	0	110.8	S168 E169 C174 S175 E176	S168-Q172 WeakPolarHBondContact O-CB 3.42Å; S168-Q172 PolarHBondContact O-N 3.33Å; E169-Q172 PolarHBondContact O-N 3.11Å; Q172-C174 VanDerWaalsContact C-N 3.34Å; Q172-C174 PolarHBondContact O-N 3.28Å; Q172-S175 CarbonylContact O-C 3.58Å; Q172-S175 WeakPolarHBondContact O-CA 3.23Å; Q172-S175 WeakPolarHBondContact O-CB 3.43Å; Q172-S175 PolarHBondContact O-N 2.83Å; Q172-S175 VanDerWaalsContact O-N 3.08Å; Q172-E176 HydrophobicContact CG-CG 4.47Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.5Å; Q172-E176 PolarHBondContact NE2-OE1 2.93Å; Q172-E176 WeakPolarHBondContact O-CG 3.25Å; Q172-E176 PolarHBondContact O-N 3.21Å
173	R	78.8	Confident	72.8	Confident	74 Å²	74	76.1 Å²	76.1	28%	0.279	36%	0.36	S	S	.	.	H	α-helix	trans	-61.4	-41.6	177.5	-77.8	-168.1	177.8	141.7	11.7	112.3	I163 E169 L170 S175 E176 Y177	I163-R173 VanDerWaalsContact C-NH1 3.35Å; I163-R173 PolarHBondContact O-NH1 3.47Å; I163-R173 PolarHBondContact O-NH2 3.41Å; E169-R173 WeakPolarHBondContact O-CB 3.45Å; E169-R173 WeakPolarHBondContact O-CG 3.36Å; E169-R173 PolarHBondContact O-N 2.84Å; L170-R173 PolarHBondContact O-N 2.89Å; R173-S175 VanDerWaalsContact C-N 3.27Å; R173-S175 PolarHBondContact O-N 2.84Å; R173-E176 PolarHBondContact O-N 3.22Å; R173-Y177 WeakPolarHBondContact O-CB 3.37Å; R173-Y177 VanDerWaalsContact O-CD2 3.23Å; R173-Y177 WeakPolarHBondContact O-CD2 3.42Å; R173-Y177 PolarHBondContact O-N 3.39Å
174	C	82.3	Confident	72.9	Confident	25 Å²	25	84.5 Å²	84.5	17%	0.169	40%	0.395	C	S	.	.	H	α-helix	trans	-60.6	-39.4	174.8	-72.2	0	0	0	0	111.8	C28 L170 R171 Q172 R178	C28-C174 HydrophobicContact CB-CB 3.7Å; C28-C174 WeakPolarHBondContact CB-SG 3.39Å; C28-C174 WeakPolarHBondContact SG-CB 3.48Å; C28-C174 CovalentContact SG-SG 2.02Å; C28-C174 PolarHBondContact SG-SG 2.88Å; L170-C174 WeakPolarHBondContact O-CB 3.47Å; L170-C174 PolarHBondContact O-N 2.82Å; L170-C174 PolarHBondContact O-SG 3.39Å; R171-C174 PolarHBondContact O-N 3.33Å; Q172-C174 VanDerWaalsContact C-N 3.34Å; Q172-C174 PolarHBondContact O-N 3.28Å; C174-R178 VanDerWaalsContact O-CB 3.25Å; C174-R178 WeakPolarHBondContact O-CB 3.35Å; C174-R178 PolarHBondContact O-N 3.42Å
175	S	82.8	Confident	72.7	Confident	52 Å²	52	90.7 Å²	90.7	36%	0.364	43%	0.428	S	S	.	.	H	α-helix	trans	-64.4	-48.3	173.2	-164.2	0	0	0	0	111.5	R171 Q172 R173 Y177 R178 D179	R171-S175 PolarHBondContact O-N 2.81Å; Q172-S175 CarbonylContact O-C 3.58Å; Q172-S175 WeakPolarHBondContact O-CA 3.23Å; Q172-S175 WeakPolarHBondContact O-CB 3.43Å; Q172-S175 PolarHBondContact O-N 2.83Å; Q172-S175 VanDerWaalsContact O-N 3.08Å; R173-S175 VanDerWaalsContact C-N 3.27Å; R173-S175 PolarHBondContact O-N 2.84Å; S175-Y177 VanDerWaalsContact C-N 3.33Å; S175-Y177 PolarHBondContact O-N 3.17Å; S175-R178 CarbonylContact O-C 3.42Å; S175-R178 WeakPolarHBondContact O-CB 3.38Å; S175-R178 PolarHBondContact O-N 2.79Å; S175-R178 VanDerWaalsContact O-N 3.11Å; S175-D179 WeakPolarHBondContact O-CB 3.32Å; S175-D179 PolarHBondContact O-N 2.9Å
176	E	78.8	Confident	72.3	Confident	91 Å²	91	86.5 Å²	86.5	43%	0.425	41%	0.411	S	S	.	.	H	α-helix	trans	-59.3	-43.5	177.6	-71.4	171.3	-174.1	0	0	111.4	Q172 R173 D179 L180	Q172-E176 HydrophobicContact CG-CG 4.47Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.5Å; Q172-E176 PolarHBondContact NE2-OE1 2.93Å; Q172-E176 WeakPolarHBondContact O-CG 3.25Å; Q172-E176 PolarHBondContact O-N 3.21Å; R173-E176 PolarHBondContact O-N 3.22Å; E176-D179 PolarHBondContact O-N 3.07Å; E176-L180 WeakPolarHBondContact O-CB 3.19Å; E176-L180 WeakPolarHBondContact O-CG 3.46Å; E176-L180 PolarHBondContact O-N 3.49Å
177	Y	74.6	Confident	71.9	Confident	153 Å²	153	85.1 Å²	85.1	60%	0.6	42%	0.416	S	S	*	.	H	α-helix	trans	-62.4	-45.2	173.9	-89.5	-71.2	0	0	0	111.5	R173 S175 D179 L180 L181	R173-Y177 WeakPolarHBondContact O-CB 3.37Å; R173-Y177 VanDerWaalsContact O-CD2 3.23Å; R173-Y177 WeakPolarHBondContact O-CD2 3.42Å; R173-Y177 PolarHBondContact O-N 3.39Å; S175-Y177 VanDerWaalsContact C-N 3.33Å; S175-Y177 PolarHBondContact O-N 3.17Å; Y177-D179 VanDerWaalsContact C-N 3.29Å; Y177-D179 PolarHBondContact O-N 3.14Å; Y177-L180 PolarHBondContact O-N 3.1Å; Y177-L181 VanDerWaalsContact O-CB 3.24Å; Y177-L181 WeakPolarHBondContact O-CB 3.16Å; Y177-L181 VanDerWaalsContact O-CD1 3.23Å; Y177-L181 WeakPolarHBondContact O-CD1 3.47Å; Y177-L181 WeakPolarHBondContact O-CG 3.04Å; Y177-L181 PolarHBondContact O-N 3.27Å
178	R	76.2	Confident	71.5	Confident	93 Å²	93	88.5 Å²	88.5	35%	0.351	43%	0.429	S	S	.	.	H	α-helix	trans	-57.7	-43.6	175.8	-177.5	-175.6	-173.6	-152.9	-0.2	111	D22 C174 S175 L181 N182	D22-R178 IonicContact OD2-CZ 3.09Å; D22-R178 IonicContact OD2-NE 2.84Å; D22-R178 PolarHBondContact OD2-NE 2.84Å; D22-R178 IonicContact OD2-NH2 2.71Å; D22-R178 PolarHBondContact OD2-NH2 3.39Å; C174-R178 VanDerWaalsContact O-CB 3.25Å; C174-R178 WeakPolarHBondContact O-CB 3.35Å; C174-R178 PolarHBondContact O-N 3.42Å; S175-R178 CarbonylContact O-C 3.42Å; S175-R178 WeakPolarHBondContact O-CB 3.38Å; S175-R178 PolarHBondContact O-N 2.79Å; S175-R178 VanDerWaalsContact O-N 3.11Å; R178-L181 PolarHBondContact O-N 3.13Å; R178-N182 PolarHBondContact O-N 3.45Å; R178-N182 PolarHBondContact O-ND2 3.24Å
179	D	76.3	Confident	71	Confident	81 Å²	81	88.9 Å²	88.9	43%	0.433	43%	0.428	S	S	.	.	H	α-helix	trans	-69	-46.8	179.7	-65.7	-26.1	0	0	0	111.4	S175 E176 Y177 L181 N182 E183	S175-D179 WeakPolarHBondContact O-CB 3.32Å; S175-D179 PolarHBondContact O-N 2.9Å; E176-D179 PolarHBondContact O-N 3.07Å; Y177-D179 VanDerWaalsContact C-N 3.29Å; Y177-D179 PolarHBondContact O-N 3.14Å; D179-L181 PolarHBondContact O-N 3.36Å; D179-N182 CarbonylContact O-C 3.56Å; D179-N182 PolarHBondContact O-N 3.08Å; D179-E183 WeakPolarHBondContact O-CG 3.47Å; D179-E183 PolarHBondContact O-N 2.04Å
180	L	69.5	Low	71	Confident	103 Å²	103	87.8 Å²	87.8	54%	0.539	43%	0.425	S	S	.	.	H	α-helix	trans	-56.4	-33.1	173	-74.3	170.3	0	0	0	112.3	E176 Y177 G186	E176-L180 WeakPolarHBondContact O-CB 3.19Å; E176-L180 WeakPolarHBondContact O-CG 3.46Å; E176-L180 PolarHBondContact O-N 3.49Å; Y177-L180 PolarHBondContact O-N 3.1Å; L180-G186 WeakPolarHBondContact O-CA 2.98Å; L180-G186 PolarHBondContact O-N 2.92Å
181	L	67.3	Low	71	Confident	24 Å²	24	88.3 Å²	88.3	13%	0.126	43%	0.433	C	S	.	.	H	α-helix	trans	-80.7	-20.1	178	-72.6	165.6	0	0	0	113.6	Y24 Y177 R178 D179 G186 V189	Y24-L181 HydrophobicContact CD1-CD1 3.38Å; Y24-L181 HydrophobicContact CD2-CD1 4.17Å; Y24-L181 HydrophobicContact CE1-CD1 3.16Å; Y24-L181 HydrophobicContact CE1-CD2 4.42Å; Y24-L181 HydrophobicContact CE1-CG 4.32Å; Y24-L181 HydrophobicContact CE2-CB 4.35Å; Y24-L181 HydrophobicContact CE2-CD1 3.99Å; Y24-L181 HydrophobicContact CG-CD1 3.88Å; Y24-L181 VanDerWaalsContact CZ-CD1 3.47Å; Y177-L181 VanDerWaalsContact O-CB 3.24Å; Y177-L181 WeakPolarHBondContact O-CB 3.16Å; Y177-L181 VanDerWaalsContact O-CD1 3.23Å; Y177-L181 WeakPolarHBondContact O-CD1 3.47Å; Y177-L181 WeakPolarHBondContact O-CG 3.04Å; Y177-L181 PolarHBondContact O-N 3.27Å; R178-L181 PolarHBondContact O-N 3.13Å; D179-L181 PolarHBondContact O-N 3.36Å; L181-G186 CarbonylContact O-C 2.95Å; L181-G186 VanDerWaalsContact O-CA 3.25Å; L181-G186 WeakPolarHBondContact O-CA 3.3Å; L181-G186 VanDerWaalsContact O-O 3.12Å; L181-V189 HydrophobicContact CD2-CB 3.75Å; L181-V189 HydrophobicContact CD2-CG2 3.89Å
182	N	68.1	Low	71.1	Confident	106 Å²	106	88.8 Å²	88.8	57%	0.567	45%	0.445	S	S	*	.	H	α-helix	trans	-91.9	-22.7	173.9	-69.5	-32	0	0	0	112.5	R178 D179	R178-N182 PolarHBondContact O-N 3.45Å; R178-N182 PolarHBondContact O-ND2 3.24Å; D179-N182 CarbonylContact O-C 3.56Å; D179-N182 PolarHBondContact O-N 3.08Å
183	E	68.2	Low	71.2	Confident	129 Å²	129	84.9 Å²	84.9	60%	0.603	43%	0.428	S	S	*	.	S	Bend	trans	-68.6	166.1	174.1	-78.1	-171.6	169.5	0	0	112.9	D179 D185 G186	D179-E183 WeakPolarHBondContact O-CG 3.47Å; D179-E183 PolarHBondContact O-N 2.04Å; E183-D185 PolarHBondContact O-N 3.09Å; E183-G186 WeakPolarHBondContact O-CA 3.23Å; E183-G186 PolarHBondContact O-N 3.15Å
184	K	56.4	Low	71.7	Confident	213 Å²	213	82.6 Å²	82.6	93%	0.926	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-24	-167.4	-95.4	-179.5	171.6	178.1	0	116.3
185	D	54.4	Low	72	Confident	141 Å²	141	83.8 Å²	83.8	75%	0.754	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-14.9	175.9	-71	-34.9	0	0	0	113.8	E183 G187 R188	E183-D185 PolarHBondContact O-N 3.09Å; D185-G187 VanDerWaalsContact C-N 3.32Å; D185-G187 PolarHBondContact O-N 3.2Å; D185-R188 WeakPolarHBondContact O-CG 3.08Å; D185-R188 PolarHBondContact O-N 3.19Å
186	G	50.1	Low	72.3	Confident	6 Å²	6	84 Å²	84	6%	0.062	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-21.5	177.7	0	0	0	0	0	115.1	L180 L181 E183 R188 V189	L180-G186 WeakPolarHBondContact O-CA 2.98Å; L180-G186 PolarHBondContact O-N 2.92Å; L181-G186 CarbonylContact O-C 2.95Å; L181-G186 VanDerWaalsContact O-CA 3.25Å; L181-G186 WeakPolarHBondContact O-CA 3.3Å; L181-G186 VanDerWaalsContact O-O 3.12Å; E183-G186 WeakPolarHBondContact O-CA 3.23Å; E183-G186 PolarHBondContact O-N 3.15Å; G186-R188 PolarHBondContact O-N 3.19Å; G186-V189 PolarHBondContact O-N 2.99Å
187	G	58.2	Low	72.9	Confident	44 Å²	44	83.7 Å²	83.7	45%	0.454	43%	0.425	S	S	.	.	H	α-helix	trans	-55.6	-12.5	170.8	0	0	0	0	0	113.9	D185 G191	D185-G187 VanDerWaalsContact C-N 3.32Å; D185-G187 PolarHBondContact O-N 3.2Å; G187-G191 WeakPolarHBondContact O-CA 3.26Å; G187-G191 PolarHBondContact O-N 2.96Å
188	R	65.3	Low	73.7	Confident	202 Å²	202	85.6 Å²	85.6	76%	0.762	43%	0.431	S	S	*	.	H	α-helix	trans	-67.3	-45.7	175.5	-66.9	-176	74.7	-178.6	3.7	113	D185 G186 V192	D185-R188 WeakPolarHBondContact O-CG 3.08Å; D185-R188 PolarHBondContact O-N 3.19Å; G186-R188 PolarHBondContact O-N 3.19Å; R188-V192 WeakPolarHBondContact O-CB 3.24Å; R188-V192 WeakPolarHBondContact O-CG2 3.16Å; R188-V192 PolarHBondContact O-N 3.31Å
189	V	67.3	Low	74.4	Confident	74 Å²	74	81.8 Å²	81.8	45%	0.448	42%	0.417	S	S	.	.	H	α-helix	trans	-82.6	-51	-178.4	-173.2	0	0	0	0	109.7	Y24 L181 G186 G191 V192 L193	Y24-V189 WeakPolarHBondContact OH-CB 3.45Å; Y24-V189 WeakPolarHBondContact OH-CG1 3.43Å; L181-V189 HydrophobicContact CD2-CB 3.75Å; L181-V189 HydrophobicContact CD2-CG2 3.89Å; G186-V189 PolarHBondContact O-N 2.99Å; V189-G191 VanDerWaalsContact C-N 3.32Å; V189-G191 PolarHBondContact O-N 3.29Å; V189-V192 PolarHBondContact O-N 3.06Å; V189-V192 VanDerWaalsContact O-N 3.15Å; V189-L193 HydrophobicContact CG1-CD1 4.48Å; V189-L193 WeakPolarHBondContact O-CG 3.49Å; V189-L193 PolarHBondContact O-N 3.18Å
190	T	74.6	Confident	75.1	Confident	25 Å²	25	78.3 Å²	78.3	15%	0.153	40%	0.399	C	S	.	.	H	α-helix	trans	-58.8	-46.3	178.2	-48.3	0	0	0	0	110.5	Y24 V192 L193 V194 M211	Y24-T190 HydrophobicContact CE2-CG2 4.33Å; Y24-T190 VanDerWaalsContact CE2-OG1 3.26Å; Y24-T190 WeakPolarHBondContact CE2-OG1 3.43Å; Y24-T190 PolarHBondContact OH-N 2.91Å; Y24-T190 PolarHBondContact OH-OG1 3.26Å; T190-V192 VanDerWaalsContact C-N 3.33Å; T190-V192 PolarHBondContact O-N 3.03Å; T190-L193 PolarHBondContact O-N 3.49Å; T190-L193 VanDerWaalsContact O-N 3.13Å; T190-V194 HydrophobicContact CG2-CG2 3.95Å; T190-V194 VanDerWaalsContact O-CB 3.26Å; T190-V194 WeakPolarHBondContact O-CB 3.38Å; T190-V194 WeakPolarHBondContact O-CG2 3.23Å; T190-V194 PolarHBondContact O-N 3.4Å; T190-M211 HydrophobicContact CG2-SD 4.39Å
191	G	77.7	Confident	76.1	Confident	23 Å²	23	82 Å²	82	24%	0.237	41%	0.406	C	S	.	.	H	α-helix	trans	-63.3	-35	178.1	0	0	0	0	0	113.2	G187 V189 N195	G187-G191 WeakPolarHBondContact O-CA 3.26Å; G187-G191 PolarHBondContact O-N 2.96Å; V189-G191 VanDerWaalsContact C-N 3.32Å; V189-G191 PolarHBondContact O-N 3.29Å; G191-N195 VanDerWaalsContact O-CB 3.27Å; G191-N195 WeakPolarHBondContact O-CB 3.34Å; G191-N195 VanDerWaalsContact O-CG 3.28Å; G191-N195 PolarHBondContact O-N 3.19Å; G191-N195 VanDerWaalsContact O-N 3.13Å; G191-N195 PolarHBondContact O-ND2 3.14Å
192	V	83.3	Confident	77.2	Confident	94 Å²	94	84.6 Å²	84.6	57%	0.57	43%	0.431	S	S	*	.	H	α-helix	trans	-64.8	-45.4	171.8	166.7	0	0	0	0	110.8	R188 V189 T190 N195 N196	R188-V192 WeakPolarHBondContact O-CB 3.24Å; R188-V192 WeakPolarHBondContact O-CG2 3.16Å; R188-V192 PolarHBondContact O-N 3.31Å; V189-V192 PolarHBondContact O-N 3.06Å; V189-V192 VanDerWaalsContact O-N 3.15Å; T190-V192 VanDerWaalsContact C-N 3.33Å; T190-V192 PolarHBondContact O-N 3.03Å; V192-N195 PolarHBondContact O-N 2.93Å; V192-N196 WeakPolarHBondContact O-CB 2.87Å; V192-N196 PolarHBondContact O-N 2.79Å; V192-N196 VanDerWaalsContact O-N 3.11Å
193	L	85.4	Confident	78.3	Confident	30 Å²	30	83.6 Å²	83.6	16%	0.157	42%	0.42	C	S	.	.	H	α-helix	trans	-66.7	-46.6	-179.4	-64.1	179.8	0	0	0	112.4	F23 V189 T190 N195 N196 F199 M211	F23-L193 HydrophobicContact CD1-CD1 3.57Å; F23-L193 HydrophobicContact CE1-CD1 3.68Å; F23-L193 HydrophobicContact CG-CD1 4.2Å; F23-L193 HydrophobicContact CZ-CD1 4.4Å; V189-L193 HydrophobicContact CG1-CD1 4.48Å; V189-L193 WeakPolarHBondContact O-CG 3.49Å; V189-L193 PolarHBondContact O-N 3.18Å; T190-L193 PolarHBondContact O-N 3.49Å; T190-L193 VanDerWaalsContact O-N 3.13Å; L193-N195 PolarHBondContact O-N 3.42Å; L193-N196 PolarHBondContact O-N 3.13Å; L193-F199 HydrophobicContact CB-CD1 4.47Å; L193-F199 HydrophobicContact CB-CD2 4.35Å; L193-F199 HydrophobicContact CB-CE2 4.5Å; L193-F199 HydrophobicContact CB-CG 4.33Å; L193-F199 HydrophobicContact CD1-CE2 4.29Å; L193-F199 HydrophobicContact CD2-CD2 3.77Å; L193-F199 HydrophobicContact CD2-CE2 4.24Å; L193-F199 HydrophobicContact CD2-CG 4.28Å; L193-F199 HydrophobicContact CG-CD2 4.46Å; L193-M211 HydrophobicContact CB-CE 3.75Å; L193-M211 HydrophobicContact CD1-CE 4.15Å
194	V	88.3	Confident	79.4	Confident	25 Å²	25	80.1 Å²	80.1	15%	0.152	42%	0.419	C	S	.	.	H	α-helix	trans	-57.9	-35.7	177.4	167.3	0	0	0	0	111.4	T190 M211 P213 K216	T190-V194 HydrophobicContact CG2-CG2 3.95Å; T190-V194 VanDerWaalsContact O-CB 3.26Å; T190-V194 WeakPolarHBondContact O-CB 3.38Å; T190-V194 WeakPolarHBondContact O-CG2 3.23Å; T190-V194 PolarHBondContact O-N 3.4Å; V194-M211 HydrophobicContact CG2-CE 4.16Å; V194-M211 HydrophobicContact CG2-SD 4.08Å; V194-P213 HydrophobicContact CG1-CG 3.39Å; V194-K216 PolarHBondContact O-NZ 3.27Å
195	N	89.4	Confident	81.1	Confident	50 Å²	50	70.4 Å²	70.4	27%	0.267	38%	0.378	S	S	.	.	H	α-helix	trans	-88	-6.6	177.5	-69.8	-42.9	0	0	0	113.9	G191 V192 L193 K216 C217	G191-N195 VanDerWaalsContact O-CB 3.27Å; G191-N195 WeakPolarHBondContact O-CB 3.34Å; G191-N195 VanDerWaalsContact O-CG 3.28Å; G191-N195 PolarHBondContact O-N 3.19Å; G191-N195 VanDerWaalsContact O-N 3.13Å; G191-N195 PolarHBondContact O-ND2 3.14Å; V192-N195 PolarHBondContact O-N 2.93Å; L193-N195 PolarHBondContact O-N 3.42Å; N195-K216 WeakPolarHBondContact OD1-CA 3.39Å; N195-C217 WeakPolarHBondContact CB-O 3.45Å; N195-C217 PolarHBondContact OD1-N 3.2Å
196	N	89.6	Confident	83	Confident	57 Å²	57	66.2 Å²	66.2	31%	0.305	36%	0.358	S	S	.	.			trans	-91.5	110.3	-175	-173.6	-26.1	0	0	0	112.5	V192 L193 R198 F199 A200	V192-N196 WeakPolarHBondContact O-CB 2.87Å; V192-N196 PolarHBondContact O-N 2.79Å; V192-N196 VanDerWaalsContact O-N 3.11Å; L193-N196 PolarHBondContact O-N 3.13Å; N196-R198 VanDerWaalsContact C-N 3.29Å; N196-R198 PolarHBondContact O-N 3.34Å; N196-R198 WeakPolarHBondContact OD1-CA 3.14Å; N196-R198 VanDerWaalsContact OD1-CB 3.23Å; N196-R198 WeakPolarHBondContact OD1-CB 3.26Å; N196-R198 PolarHBondContact OD1-N 2.77Å; N196-F199 HydrophobicContact CB-CB 3.93Å; N196-F199 WeakPolarHBondContact O-CB 3.48Å; N196-F199 PolarHBondContact O-N 2.72Å; N196-F199 PolarHBondContact OD1-N 3.48Å; N196-F199 VanDerWaalsContact OD1-N 3.14Å; N196-A200 PolarHBondContact O-N 2.68Å
197	N	90.9	Very high	85.1	Confident	85 Å²	85	71.1 Å²	71.1	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-65.2	-27.4	176.8	-73.3	-39	0	0	0	113.8	R201 K216	N197-R201 WeakPolarHBondContact O-CG 3.45Å; N197-R201 PolarHBondContact O-N 3.29Å; N197-R201 VanDerWaalsContact O-N 3.13Å; N197-K216 VanDerWaalsContact OD1-CD 3.26Å; N197-K216 WeakPolarHBondContact OD1-CD 3.41Å; N197-K216 WeakPolarHBondContact OD1-CE 3.2Å
198	R	91.5	Very high	86.7	Confident	192 Å²	192	71.3 Å²	71.3	73%	0.725	39%	0.388	S	S	*	.	H	α-helix	trans	-69.3	-39.5	174	-60.2	-176.6	-178	-167.7	1.7	110.9	N196 R201 A202	N196-R198 VanDerWaalsContact C-N 3.29Å; N196-R198 PolarHBondContact O-N 3.34Å; N196-R198 WeakPolarHBondContact OD1-CA 3.14Å; N196-R198 VanDerWaalsContact OD1-CB 3.23Å; N196-R198 WeakPolarHBondContact OD1-CB 3.26Å; N196-R198 PolarHBondContact OD1-N 2.77Å; R198-R201 PolarHBondContact O-N 3.01Å; R198-A202 WeakPolarHBondContact O-CB 3.37Å; R198-A202 PolarHBondContact O-N 3.01Å
199	F	89.9	Confident	88	Confident	14 Å²	14	62.3 Å²	62.3	6%	0.061	36%	0.356	C	S	.	.	H	α-helix	trans	-59	-52.3	174.2	172.5	-89.1	0	0	0	110.7	F23 L193 N196 R201 A202 Y203 M211	F23-F199 HydrophobicContact CB-CZ 4.26Å; F23-F199 AromaticContact CD2-CE2 3.64Å; F23-F199 HydrophobicContact CD2-CE2 3.64Å; F23-F199 AromaticContact CD2-CZ 3.79Å; F23-F199 HydrophobicContact CD2-CZ 3.79Å; F23-F199 AromaticContact CE2-CE2 3.88Å; F23-F199 HydrophobicContact CE2-CE2 3.88Å; F23-F199 HydrophobicContact CE2-CZ 4.48Å; F23-F199 HydrophobicContact CG-CE2 4.18Å; F23-F199 HydrophobicContact CG-CZ 4.13Å; L193-F199 HydrophobicContact CB-CD1 4.47Å; L193-F199 HydrophobicContact CB-CD2 4.35Å; L193-F199 HydrophobicContact CB-CE2 4.5Å; L193-F199 HydrophobicContact CB-CG 4.33Å; L193-F199 HydrophobicContact CD1-CE2 4.29Å; L193-F199 HydrophobicContact CD2-CD2 3.77Å; L193-F199 HydrophobicContact CD2-CE2 4.24Å; L193-F199 HydrophobicContact CD2-CG 4.28Å; L193-F199 HydrophobicContact CG-CD2 4.46Å; N196-F199 HydrophobicContact CB-CB 3.93Å; N196-F199 WeakPolarHBondContact O-CB 3.48Å; N196-F199 PolarHBondContact O-N 2.72Å; N196-F199 PolarHBondContact OD1-N 3.48Å; N196-F199 VanDerWaalsContact OD1-N 3.14Å; F199-R201 VanDerWaalsContact C-N 3.29Å; F199-R201 PolarHBondContact O-N 2.83Å; F199-A202 PolarHBondContact O-N 3.44Å; F199-A202 VanDerWaalsContact O-N 3.1Å; F199-Y203 AromaticContact CD2-CD2 3.69Å; F199-Y203 HydrophobicContact CD2-CD2 3.69Å; F199-Y203 AromaticContact CD2-CE2 3.68Å; F199-Y203 HydrophobicContact CD2-CE2 3.68Å; F199-Y203 HydrophobicContact CE1-CD2 4.39Å; F199-Y203 AromaticContact CE2-CD2 3.46Å; F199-Y203 HydrophobicContact CE2-CD2 3.46Å; F199-Y203 VanDerWaalsContact CE2-CD2 3.46Å; F199-Y203 AromaticContact CE2-CE2 3.44Å; F199-Y203 HydrophobicContact CE2-CE2 3.44Å; F199-Y203 VanDerWaalsContact CE2-CE2 3.44Å; F199-Y203 HydrophobicContact CE2-CG 4.47Å; F199-Y203 HydrophobicContact CG-CD2 4.3Å; F199-Y203 AromaticContact CZ-CD2 3.83Å; F199-Y203 HydrophobicContact CZ-CD2 3.83Å; F199-Y203 HydrophobicContact CZ-CE2 4.22Å; F199-Y203 HydrophobicContact CZ-CG 4.49Å; F199-Y203 PolarHBondContact O-N 3.38Å; F199-Y203 VanDerWaalsContact O-N 3.14Å; F199-M211 HydrophobicContact CE1-CB 3.73Å; F199-M211 HydrophobicContact CE1-CE 4.1Å; F199-M211 HydrophobicContact CE1-CG 4.48Å; F199-M211 HydrophobicContact CZ-CB 4.38Å; F199-M211 HydrophobicContact CZ-CE 4.03Å
200	A	91.6	Very high	89	Confident	8 Å²	8	62.6 Å²	62.6	7%	0.066	36%	0.36	C	S	.	.	H	α-helix	trans	-58.3	-39.8	179.7	0	0	0	0	0	112.7	N196 G204 C205 N212	N196-A200 PolarHBondContact O-N 2.68Å; A200-G204 PolarHBondContact O-N 3.39Å; A200-C205 HydrophobicContact CB-CB 4.39Å; A200-C205 PolarHBondContact O-N 2.84Å; A200-N212 HydrophobicContact CB-CB 4.07Å
201	R	90.7	Very high	89.7	Confident	181 Å²	181	61.9 Å²	61.9	68%	0.683	36%	0.355	S	S	*	.	H	α-helix	trans	-67.2	-42.2	174.7	-74.5	-168.3	-61.5	-105.9	6.1	113.1	N197 R198 F199 Y203 G204	N197-R201 WeakPolarHBondContact O-CG 3.45Å; N197-R201 PolarHBondContact O-N 3.29Å; N197-R201 VanDerWaalsContact O-N 3.13Å; R198-R201 PolarHBondContact O-N 3.01Å; F199-R201 VanDerWaalsContact C-N 3.29Å; F199-R201 PolarHBondContact O-N 2.83Å; R201-Y203 VanDerWaalsContact C-N 3.31Å; R201-Y203 PolarHBondContact O-N 2.82Å; R201-G204 PolarHBondContact O-N 3.13Å
202	A	91.1	Very high	90.5	Very high	78 Å²	78	61.2 Å²	61.2	65%	0.645	35%	0.346	S	S	*	.	H	α-helix	trans	-63.2	-37.3	-177.6	0	0	0	0	0	112.4	R198 F199	R198-A202 WeakPolarHBondContact O-CB 3.37Å; R198-A202 PolarHBondContact O-N 3.01Å; F199-A202 PolarHBondContact O-N 3.44Å; F199-A202 VanDerWaalsContact O-N 3.1Å
203	Y	89.9	Confident	90.9	Very high	84 Å²	84	58.5 Å²	58.5	33%	0.329	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	3.8	-179.4	-68.4	-80.5	0	0	0	114.3	S17 H19 F23 F199 R201 C205	S17-Y203 WeakPolarHBondContact CB-O 3.21Å; H19-Y203 HydrophobicContact CB-CD1 3.61Å; H19-Y203 HydrophobicContact CB-CE1 4.23Å; H19-Y203 HydrophobicContact CB-CG 3.97Å; H19-Y203 AromaticContact CD2-CD1 3.63Å; H19-Y203 AromaticContact CD2-CE1 3.35Å; H19-Y203 WeakPolarHBondContact CD2-CE1 3.42Å; H19-Y203 AromaticContact CE1-CE1 3.99Å; H19-Y203 AromaticContact CG-CD1 3.38Å; H19-Y203 AromaticContact CG-CE1 3.64Å; H19-Y203 AromaticContact ND1-CD1 3.73Å; H19-Y203 AromaticContact NE2-CE1 3.59Å; F23-Y203 HydrophobicContact CE2-CE2 4.35Å; F199-Y203 AromaticContact CD2-CD2 3.69Å; F199-Y203 HydrophobicContact CD2-CD2 3.69Å; F199-Y203 AromaticContact CD2-CE2 3.68Å; F199-Y203 HydrophobicContact CD2-CE2 3.68Å; F199-Y203 HydrophobicContact CE1-CD2 4.39Å; F199-Y203 AromaticContact CE2-CD2 3.46Å; F199-Y203 HydrophobicContact CE2-CD2 3.46Å; F199-Y203 VanDerWaalsContact CE2-CD2 3.46Å; F199-Y203 AromaticContact CE2-CE2 3.44Å; F199-Y203 HydrophobicContact CE2-CE2 3.44Å; F199-Y203 VanDerWaalsContact CE2-CE2 3.44Å; F199-Y203 HydrophobicContact CE2-CG 4.47Å; F199-Y203 HydrophobicContact CG-CD2 4.3Å; F199-Y203 AromaticContact CZ-CD2 3.83Å; F199-Y203 HydrophobicContact CZ-CD2 3.83Å; F199-Y203 HydrophobicContact CZ-CE2 4.22Å; F199-Y203 HydrophobicContact CZ-CG 4.49Å; F199-Y203 PolarHBondContact O-N 3.38Å; F199-Y203 VanDerWaalsContact O-N 3.14Å; R201-Y203 VanDerWaalsContact C-N 3.31Å; R201-Y203 PolarHBondContact O-N 2.82Å; Y203-C205 VanDerWaalsContact C-N 3.31Å; Y203-C205 PolarHBondContact O-N 3.15Å
204	G	91.4	Very high	91.2	Very high	57 Å²	57	65.7 Å²	65.7	59%	0.588	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	32.9	179	0	0	0	0	0	113.8	A200 R201	A200-G204 PolarHBondContact O-N 3.39Å; R201-G204 PolarHBondContact O-N 3.13Å
205	C	93.2	Very high	91.3	Very high	9 Å²	9	72.5 Å²	72.5	6%	0.061	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-75	122.5	-175	-62.5	0	0	0	0	112	C20 A200 Y203 N212	C20-C205 WeakPolarHBondContact CA-SG 3.43Å; C20-C205 HydrophobicContact CB-CB 3.68Å; C20-C205 WeakPolarHBondContact CB-SG 3.45Å; C20-C205 WeakPolarHBondContact SG-CA 3.25Å; C20-C205 WeakPolarHBondContact SG-CB 3.2Å; C20-C205 CovalentContact SG-SG 2.04Å; C20-C205 PolarHBondContact SG-SG 2.95Å; A200-C205 HydrophobicContact CB-CB 4.39Å; A200-C205 PolarHBondContact O-N 2.84Å; Y203-C205 VanDerWaalsContact C-N 3.31Å; Y203-C205 PolarHBondContact O-N 3.15Å; C205-N212 HydrophobicContact CB-CB 3.78Å; C205-N212 PolarHBondContact O-ND2 2.89Å
206	P	94.6	Very high	91.4	Very high	53 Å²	53	72.4 Å²	72.4	34%	0.344	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-68.6	148.1	179.1	29.5	-34.4	0	0	0	110.8	V16 G208 S209 N212	V16-P206 HydrophobicContact CG1-CG 4.1Å; V16-P206 HydrophobicContact CG2-CG 3.96Å; P206-G208 PolarHBondContact O-N 3.44Å; P206-S209 WeakPolarHBondContact O-CB 3.26Å; P206-S209 PolarHBondContact O-N 3.21Å; P206-S209 VanDerWaalsContact O-N 3.08Å; P206-S209 PolarHBondContact O-OG 2.79Å; P206-S209 VanDerWaalsContact O-OG 3.13Å; P206-N212 PolarHBondContact O-ND2 3.23Å
207	V	93.4	Very high	91.2	Very high	108 Å²	108	73.8 Å²	73.8	66%	0.655	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	124.5	176	175.6	0	0	0	0	109.4	K214	V207-K214 HydrophobicContact CG1-CB 4.39Å; V207-K214 HydrophobicContact CG1-CG 3.7Å
208	G	91.6	Very high	90.6	Very high	48 Å²	48	76.3 Å²	76.3	50%	0.495	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	104	-8.5	-174.2	0	0	0	0	0	114.6	P206 N212	P206-G208 PolarHBondContact O-N 3.44Å; G208-N212 PolarHBondContact N-O 3.48Å
209	S	92.1	Very high	89.5	Confident	13 Å²	13	72.8 Å²	72.8	9%	0.091	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-67.7	157.4	171.2	70	0	0	0	0	111.2	P206 M211 N212	P206-S209 WeakPolarHBondContact O-CB 3.26Å; P206-S209 PolarHBondContact O-N 3.21Å; P206-S209 VanDerWaalsContact O-N 3.08Å; P206-S209 PolarHBondContact O-OG 2.79Å; P206-S209 VanDerWaalsContact O-OG 3.13Å; S209-M211 PolarHBondContact O-N 3.42Å; S209-M211 VanDerWaalsContact O-N 3.15Å; S209-N212 CarbonylContact O-C 3.13Å; S209-N212 WeakPolarHBondContact O-CA 3.1Å; S209-N212 PolarHBondContact O-N 3.11Å; S209-N212 WeakPolarHBondContact OG-CB 3.37Å; S209-N212 PolarHBondContact OG-N 2.91Å
210	P	89.3	Confident	88	Confident	81 Å²	81	86.4 Å²	86.4	53%	0.526	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-43.2	176.8	-31.2	35.9	0	0	0	114	C20 N212	C20-P210 VanDerWaalsContact O-CD 3.3Å; C20-P210 WeakPolarHBondContact O-CD 3.27Å; P210-N212 VanDerWaalsContact C-N 3.34Å; P210-N212 PolarHBondContact O-N 2.83Å
211	M	89.5	Confident	87.9	Confident	9 Å²	9	90.3 Å²	90.3	4%	0.044	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	6.9	178.5	-56.4	-62.7	-63.3	0	0	114.8	H19 C20 F23 T190 L193 V194 F199 S209	H19-M211 WeakPolarHBondContact O-CG 3.41Å; C20-M211 PolarHBondContact O-N 2.86Å; C20-M211 VanDerWaalsContact O-N 3.09Å; F23-M211 HydrophobicContact CB-CE 3.76Å; F23-M211 HydrophobicContact CB-CG 4.35Å; F23-M211 HydrophobicContact CB-SD 4.25Å; F23-M211 HydrophobicContact CG-CE 4.46Å; T190-M211 HydrophobicContact CG2-SD 4.39Å; L193-M211 HydrophobicContact CB-CE 3.75Å; L193-M211 HydrophobicContact CD1-CE 4.15Å; V194-M211 HydrophobicContact CG2-CE 4.16Å; V194-M211 HydrophobicContact CG2-SD 4.08Å; F199-M211 HydrophobicContact CE1-CB 3.73Å; F199-M211 HydrophobicContact CE1-CE 4.1Å; F199-M211 HydrophobicContact CE1-CG 4.48Å; F199-M211 HydrophobicContact CZ-CB 4.38Å; F199-M211 HydrophobicContact CZ-CE 4.03Å; S209-M211 PolarHBondContact O-N 3.42Å; S209-M211 VanDerWaalsContact O-N 3.15Å
212	N	93.2	Very high	87.7	Confident	9 Å²	9	85.5 Å²	85.5	5%	0.048	48%	0.477	C	S	.	.	B	Isolated β-bridge	trans	-149.2	63.5	177.1	-170.6	27	0	0	0	111.9	A200 C205 P206 G208 S209 P210 K216	A200-N212 HydrophobicContact CB-CB 4.07Å; C205-N212 HydrophobicContact CB-CB 3.78Å; C205-N212 PolarHBondContact O-ND2 2.89Å; P206-N212 PolarHBondContact O-ND2 3.23Å; G208-N212 PolarHBondContact N-O 3.48Å; S209-N212 CarbonylContact O-C 3.13Å; S209-N212 WeakPolarHBondContact O-CA 3.1Å; S209-N212 PolarHBondContact O-N 3.11Å; S209-N212 WeakPolarHBondContact OG-CB 3.37Å; S209-N212 PolarHBondContact OG-N 2.91Å; P210-N212 VanDerWaalsContact C-N 3.34Å; P210-N212 PolarHBondContact O-N 2.83Å; N212-K216 WeakPolarHBondContact OD1-CE 3.03Å; N212-K216 PolarHBondContact OD1-NZ 2.83Å
213	P	92.1	Very high	87.5	Confident	38 Å²	38	85.9 Å²	85.9	25%	0.247	47%	0.467	C	S	.	.			trans	-63.5	156.9	-178.9	28.8	-37.2	0	0	0	111.5	V194 M215	V194-P213 HydrophobicContact CG1-CG 3.39Å; P213-M215 VanDerWaalsContact C-N 3.29Å; P213-M215 PolarHBondContact O-N 3.13Å
214	K	92.3	Very high	87.4	Confident	180 Å²	180	86.1 Å²	86.1	78%	0.783	48%	0.476	S	S	*	.	S	Bend	trans	-60.4	-39.6	176.7	-71.9	178.7	-179.3	-180	0	112.4	V207	V207-K214 HydrophobicContact CG1-CB 4.39Å; V207-K214 HydrophobicContact CG1-CG 3.7Å
215	M	90.8	Very high	87.1	Confident	168 Å²	168	87.9 Å²	87.9	83%	0.828	47%	0.469	S	S	*	.	S	Bend	trans	-101.6	118.5	178.2	-171.8	175.6	72.4	0	0	108.6	P213	P213-M215 VanDerWaalsContact C-N 3.29Å; P213-M215 PolarHBondContact O-N 3.13Å
216	K	89.8	Confident	86.7	Confident	49 Å²	49	93.1 Å²	93.1	21%	0.213	50%	0.496	C	S	.	.			trans	-115.1	145.7	175.2	-66.5	175.2	-177.3	-81.5	0	109.2	V194 N195 N197 N212	V194-K216 PolarHBondContact O-NZ 3.27Å; N195-K216 WeakPolarHBondContact OD1-CA 3.39Å; N197-K216 VanDerWaalsContact OD1-CD 3.26Å; N197-K216 WeakPolarHBondContact OD1-CD 3.41Å; N197-K216 WeakPolarHBondContact OD1-CE 3.2Å; N212-K216 WeakPolarHBondContact OD1-CE 3.03Å; N212-K216 PolarHBondContact OD1-NZ 2.83Å
217	C	87	Confident	86.2	Confident	85 Å²	85	96 Å²	96	57%	0.574	51%	0.507	S	S	*	.			trans	-79.1	132.3	165.5	-56.3	0	0	0	0	108.5	N195	N195-C217 WeakPolarHBondContact CB-O 3.45Å; N195-C217 PolarHBondContact OD1-N 3.2Å
218	D	78.6	Confident	85.6	Confident	139 Å²	139	95.1 Å²	95.1	74%	0.743	50%	0.495	S	S	*	.			trans	-116.5	134.4	167.7	-158.9	-4.1	0	0	0	108.2
219	V	68.5	Low	85.1	Confident	117 Å²	117	99 Å²	99	71%	0.709	50%	0.495	S	S	*	.			trans	-125.3	5.3	-171.9	-97.8	0	0	0	0	113.9
220	W	58.3	Low	84.5	Confident	300 Å²	300	106.8 Å²	106.8	100%	1.136	53%	0.532	S	S	*	.			trans	-146.7	0	175.3	-55.4	101.2	0	0	0	113.1

Retrieved 220 of 220 residues in 225.3 ms (Link to these results)

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