A0A3Q0KVC9_SCHMA Loading...

Transcription initiation factor TFIID subunit 13

AlphaFold DB , UniProt , Accession A0A3Q0KVC9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 123 aa.

						>A0A3Q0KVC9_SCHMA|A0A3Q0KVC9
MSVLEFTSSLLEDEEEQDSTYDRGKKRMFSREIRSMLYAFGDDENPLPETVSLVEDIAVRHIIEMTKKALKIGKPGKISVEDVTYLVRRDPKKFSRVKELLLLSEELRRARKAFEEDEFDVLK
					

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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	51	Low	60.8	Low	208 Å²	208	91.7 Å²	91.7	100%	1.025	50%	0.499	S	S	*	.				0	98.2	0	-152.9	173.1	-78.5	0	0	107.6	E5	M1-E5 WeakPolarHBondContact CA-OE2 3.05Å
2	S	58.5	Low	60.9	Low	55 Å²	55	95.6 Å²	95.6	39%	0.385	51%	0.511	S	S	.	.			trans	-77.8	157.6	-173.8	76.8	0	0	0	0	110.6	L4 E5 F6	S2-L4 PolarHBondContact O-N 3.36Å; S2-L4 VanDerWaalsContact O-N 3.09Å; S2-L4 PolarHBondContact OG-N 3.27Å; S2-E5 PolarHBondContact N-OE2 3.25Å; S2-E5 PolarHBondContact O-N 3.4Å; S2-E5 PolarHBondContact OG-N 3.46Å; S2-F6 PolarHBondContact O-N 3.36Å; S2-F6 VanDerWaalsContact O-N 3.08Å
3	V	65.2	Low	60.8	Low	89 Å²	89	96.3 Å²	96.3	54%	0.539	52%	0.515	S	S	.	.	H	α-helix	trans	-54.7	-29.2	175.3	179.8	0	0	0	0	111.6	T7 R89	V3-T7 WeakPolarHBondContact O-CG2 3.38Å; V3-T7 PolarHBondContact O-N 3.39Å; V3-T7 PolarHBondContact O-OG1 3.35Å; V3-R89 VanDerWaalsContact CG1-NH2 3.31Å
4	L	66.1	Low	60.5	Low	138 Å²	138	97.6 Å²	97.6	72%	0.723	52%	0.517	S	S	*	.	H	α-helix	trans	-68.6	-44.8	176.7	-81.2	155.6	0	0	0	112.4	S2 F6 T7 S8	S2-L4 PolarHBondContact O-N 3.36Å; S2-L4 VanDerWaalsContact O-N 3.09Å; S2-L4 PolarHBondContact OG-N 3.27Å; L4-F6 VanDerWaalsContact C-N 3.29Å; L4-F6 PolarHBondContact O-N 3.21Å; L4-T7 WeakPolarHBondContact CA-OG1 3.45Å; L4-T7 PolarHBondContact O-N 3.22Å; L4-T7 PolarHBondContact O-OG1 3.04Å; L4-S8 PolarHBondContact O-N 3.33Å
5	E	69	Low	59.9	Low	114 Å²	114	103.4 Å²	103.4	53%	0.533	54%	0.54	S	S	.	.	H	α-helix	trans	-62.9	-40.4	174.7	-68.8	169.7	162.2	0	0	110.6	M1 S2 T7 S8 S9	M1-E5 WeakPolarHBondContact CA-OE2 3.05Å; S2-E5 PolarHBondContact N-OE2 3.25Å; S2-E5 PolarHBondContact O-N 3.4Å; S2-E5 PolarHBondContact OG-N 3.46Å; E5-T7 VanDerWaalsContact C-N 3.31Å; E5-T7 PolarHBondContact O-N 3.38Å; E5-S8 PolarHBondContact O-N 3.27Å; E5-S9 PolarHBondContact O-N 3.11Å; E5-S9 PolarHBondContact O-OG 3.44Å
6	F	61.3	Low	59.5	Low	87 Å²	87	108.4 Å²	108.4	38%	0.382	56%	0.559	S	S	.	*	H	α-helix	trans	-65.2	-32.8	176.1	-176.3	-97.6	0	0	0	112.9	S2 L4 S9 L10 I72	S2-F6 PolarHBondContact O-N 3.36Å; S2-F6 VanDerWaalsContact O-N 3.08Å; L4-F6 VanDerWaalsContact C-N 3.29Å; L4-F6 PolarHBondContact O-N 3.21Å; F6-S9 PolarHBondContact O-OG 3.28Å; F6-S9 VanDerWaalsContact O-OG 3.14Å; F6-L10 PolarHBondContact O-N 3.31Å; F6-I72 HydrophobicContact CE1-CG2 4.24Å; F6-I72 HydrophobicContact CZ-CG2 3.69Å
7	T	58.8	Low	58.9	Low	46 Å²	46	112.6 Å²	112.6	28%	0.282	58%	0.576	S	S	.	*	H	α-helix	trans	-78.3	-32.2	173.5	50.3	0	0	0	0	113	V3 L4 E5 L10 L11	V3-T7 WeakPolarHBondContact O-CG2 3.38Å; V3-T7 PolarHBondContact O-N 3.39Å; V3-T7 PolarHBondContact O-OG1 3.35Å; L4-T7 WeakPolarHBondContact CA-OG1 3.45Å; L4-T7 PolarHBondContact O-N 3.22Å; L4-T7 PolarHBondContact O-OG1 3.04Å; E5-T7 VanDerWaalsContact C-N 3.31Å; E5-T7 PolarHBondContact O-N 3.38Å; T7-L10 VanDerWaalsContact O-CB 3.31Å; T7-L10 WeakPolarHBondContact O-CB 3.12Å; T7-L10 PolarHBondContact O-N 3.47Å; T7-L11 WeakPolarHBondContact O-CG 3.36Å; T7-L11 PolarHBondContact O-N 3.23Å
8	S	61.2	Low	58.6	Low	56 Å²	56	110.1 Å²	110.1	39%	0.392	56%	0.564	S	S	.	*	H	α-helix	trans	-64.1	-49.2	176.6	-162.5	0	0	0	0	110.4	L4 E5 L10 L11 E12	L4-S8 PolarHBondContact O-N 3.33Å; E5-S8 PolarHBondContact O-N 3.27Å; S8-L10 PolarHBondContact O-N 3.25Å; S8-L10 VanDerWaalsContact O-N 3.16Å; S8-L11 PolarHBondContact O-N 3.24Å; S8-E12 WeakPolarHBondContact O-CG 3.5Å; S8-E12 PolarHBondContact O-N 3.36Å; S8-E12 VanDerWaalsContact O-N 3.09Å; S8-E12 PolarHBondContact OG-OE1 2.62Å
9	S	61.4	Low	58.2	Low	57 Å²	57	109.6 Å²	109.6	40%	0.399	57%	0.571	S	S	.	*	H	α-helix	trans	-62.5	-25	175.6	64.9	0	0	0	0	113	E5 F6	E5-S9 PolarHBondContact O-N 3.11Å; E5-S9 PolarHBondContact O-OG 3.44Å; F6-S9 PolarHBondContact O-OG 3.28Å; F6-S9 VanDerWaalsContact O-OG 3.14Å
10	L	60.2	Low	57.9	Low	42 Å²	42	109.8 Å²	109.8	22%	0.22	58%	0.578	C	S	.	*	H	α-helix	trans	-71.3	-31.7	174.6	-159.5	83.8	0	0	0	112.7	F6 T7 S8	F6-L10 PolarHBondContact O-N 3.31Å; T7-L10 VanDerWaalsContact O-CB 3.31Å; T7-L10 WeakPolarHBondContact O-CB 3.12Å; T7-L10 PolarHBondContact O-N 3.47Å; S8-L10 PolarHBondContact O-N 3.25Å; S8-L10 VanDerWaalsContact O-N 3.16Å
11	L	56.1	Low	57.8	Low	117 Å²	117	108.8 Å²	108.8	61%	0.613	57%	0.567	S	S	*	*	H	α-helix	trans	-85.6	-31.4	-179.2	-66.5	-179.3	0	0	0	112.5	T7 S8 D13 E14	T7-L11 WeakPolarHBondContact O-CG 3.36Å; T7-L11 PolarHBondContact O-N 3.23Å; S8-L11 PolarHBondContact O-N 3.24Å; L11-D13 PolarHBondContact O-N 2.71Å; L11-E14 PolarHBondContact O-N 3.25Å
12	E	61.9	Low	58	Low	138 Å²	138	103.8 Å²	103.8	65%	0.645	54%	0.544	S	S	*	.	H	α-helix	trans	-66.6	-20.7	-176.8	-73.4	164.8	-145.9	0	0	113.3	S8 E14	S8-E12 WeakPolarHBondContact O-CG 3.5Å; S8-E12 PolarHBondContact O-N 3.36Å; S8-E12 VanDerWaalsContact O-N 3.09Å; S8-E12 PolarHBondContact OG-OE1 2.62Å; E12-E14 PolarHBondContact O-N 3.2Å
13	D	59.7	Low	57.8	Low	105 Å²	105	111.4 Å²	111.4	56%	0.561	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-86.2	3.3	180	-67.8	-25.4	0	0	0	114.4	L11 E15 K71	L11-D13 PolarHBondContact O-N 2.71Å; D13-E15 PolarHBondContact O-N 2.97Å; D13-K71 IonicContact OD2-NZ 2.63Å; D13-K71 PolarHBondContact OD2-NZ 3.02Å
14	E	56.5	Low	57.4	Low	115 Å²	115	110.6 Å²	110.6	54%	0.537	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-84.2	1	-173.4	-66.4	-160.6	166	0	0	115	L11 E12 K68	L11-E14 PolarHBondContact O-N 3.25Å; E12-E14 PolarHBondContact O-N 3.2Å; E14-K68 IonicContact OE1-NZ 3.83Å; E14-K68 PolarHBondContact OE1-NZ 3.32Å
15	E	52.1	Low	57.1	Low	184 Å²	184	113 Å²	113	86%	0.86	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-89.6	7.6	-175.1	-67.5	-163.4	178.5	0	0	116.7	D13 Q17	D13-E15 PolarHBondContact O-N 2.97Å; E15-Q17 PolarHBondContact O-N 3.43Å; E15-Q17 VanDerWaalsContact O-N 3.1Å
16	E	52.9	Low	57.1	Low	183 Å²	183	116.6 Å²	116.6	86%	0.855	59%	0.593	S	S	*	*			trans	-78.9	100.7	172	-77.8	-169.4	173.7	0	0	111.6	D18	E16-D18 PolarHBondContact O-N 3.48Å
17	Q	50.3	Low	58	Low	181 Å²	181	116.9 Å²	116.9	85%	0.846	59%	0.591	S	S	*	*			trans	-57.2	89.1	177.4	-168.3	177.8	30.5	0	0	112.4	E15 S19	E15-Q17 PolarHBondContact O-N 3.43Å; E15-Q17 VanDerWaalsContact O-N 3.1Å; Q17-S19 VanDerWaalsContact C-N 3.31Å; Q17-S19 PolarHBondContact O-N 3.03Å
18	D	52.9	Low	59.4	Low	67 Å²	67	121.7 Å²	121.7	36%	0.358	61%	0.613	S	S	.	*			trans	-77	77.5	179.6	-165.5	-2.8	0	0	0	111.7	E16 T20 Y21	E16-D18 PolarHBondContact O-N 3.48Å; D18-T20 PolarHBondContact O-N 3.15Å; D18-T20 PolarHBondContact OD1-N 2.87Å; D18-T20 PolarHBondContact OD1-OG1 3.36Å; D18-Y21 HydrophobicContact CB-CD2 4.41Å; D18-Y21 HydrophobicContact CB-CE2 3.86Å; D18-Y21 WeakPolarHBondContact OD2-CE2 3.28Å; D18-Y21 PolarHBondContact OD2-OH 3.12Å
19	S	51.2	Low	60.9	Low	100 Å²	100	123.1 Å²	123.1	70%	0.699	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	6.7	171.9	56.6	0	0	0	0	113.4	Q17	Q17-S19 VanDerWaalsContact C-N 3.31Å; Q17-S19 PolarHBondContact O-N 3.03Å
20	T	51.3	Low	62.5	Low	114 Å²	114	122.3 Å²	122.3	70%	0.699	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	11.4	-171.2	60.2	0	0	0	0	116	D18 D22	D18-T20 PolarHBondContact O-N 3.15Å; D18-T20 PolarHBondContact OD1-N 2.87Å; D18-T20 PolarHBondContact OD1-OG1 3.36Å; T20-D22 PolarHBondContact O-N 2.96Å
21	Y	56.1	Low	64.1	Low	89 Å²	89	129.1 Å²	129.1	35%	0.349	63%	0.629	S	S	.	*			trans	-68.6	19	165	-66.4	-77	0	0	0	113.6	D18 R23 I63	D18-Y21 HydrophobicContact CB-CD2 4.41Å; D18-Y21 HydrophobicContact CB-CE2 3.86Å; D18-Y21 WeakPolarHBondContact OD2-CE2 3.28Å; D18-Y21 PolarHBondContact OD2-OH 3.12Å; Y21-R23 PolarHBondContact O-N 3.31Å; Y21-I63 HydrophobicContact CE1-CD1 3.69Å
22	D	55	Low	66.1	Low	103 Å²	103	127.4 Å²	127.4	55%	0.551	62%	0.617	S	S	*	*			trans	-50.8	95.7	-176	-171	39.8	0	0	0	112	T20 G24	T20-D22 PolarHBondContact O-N 2.96Å; D22-G24 PolarHBondContact O-N 3.43Å
23	R	55.2	Low	67.8	Low	214 Å²	214	121.6 Å²	121.6	81%	0.808	59%	0.591	S	S	*	*	S	Bend	trans	39.5	-15.9	135.3	-65.8	177.3	-68.6	-170.2	-2.1	121.5	Y21	Y21-R23 PolarHBondContact O-N 3.31Å
24	G	56.2	Low	69.5	Low	73 Å²	73	120.8 Å²	120.8	75%	0.753	58%	0.58	S	S	*	*			trans	-95.2	-10.8	177.4	0	0	0	0	0	114.9	D22 K26	D22-G24 PolarHBondContact O-N 3.43Å; G24-K26 PolarHBondContact O-N 3.37Å
25	K	59.8	Low	71.5	Confident	188 Å²	188	118.9 Å²	118.9	82%	0.817	58%	0.58	S	S	*	*	S	Bend	trans	-71.2	123	177.9	-98.8	174.2	-178.6	167.1	0	110.3	R27	K25-R27 PolarHBondContact O-N 3.19Å
26	K	69.2	Low	73.6	Confident	190 Å²	190	115.1 Å²	115.1	83%	0.826	56%	0.563	S	S	*	*			trans	-49.3	114.7	173.2	-174.3	175.5	-178.3	177.5	0	108.8	G24 M28	G24-K26 PolarHBondContact O-N 3.37Å; K26-M28 WeakPolarHBondContact O-CG 3.42Å; K26-M28 PolarHBondContact O-N 3.36Å
27	R	79.3	Confident	75.8	Confident	92 Å²	92	107.5 Å²	107.5	35%	0.347	53%	0.528	S	S	.	.			trans	-56.2	127.9	176.6	-59.8	-72.2	178.1	176.9	-9.4	109.2	K25 S30 S52 E55 D56	K25-R27 PolarHBondContact O-N 3.19Å; R27-S30 WeakPolarHBondContact CB-OG 3.03Å; R27-S52 PolarHBondContact NH1-O 2.9Å; R27-S52 PolarHBondContact NH1-OG 2.91Å; R27-S52 PolarHBondContact NH2-OG 3.5Å; R27-E55 WeakPolarHBondContact CA-OE1 3.35Å; R27-D56 IonicContact CZ-OD1 3.71Å; R27-D56 IonicContact NH1-OD1 2.73Å; R27-D56 PolarHBondContact NH1-OD1 3.48Å; R27-D56 IonicContact NH1-OD2 3.62Å; R27-D56 IonicContact NH2-OD1 2.69Å; R27-D56 IonicContact NH2-OD2 3.53Å
28	M	88.2	Confident	78.1	Confident	148 Å²	148	105.2 Å²	105.2	73%	0.729	51%	0.513	S	S	*	.	S	Bend	trans	-99.9	-31.3	-169.8	-58.7	-171.3	85.5	0	0	111.9	K26 E55	K26-M28 WeakPolarHBondContact O-CG 3.42Å; K26-M28 PolarHBondContact O-N 3.36Å; M28-E55 PolarHBondContact N-OE1 3.44Å
29	F	94.4	Very high	80.2	Confident	86 Å²	86	106 Å²	106	38%	0.377	53%	0.529	S	S	.	.	S	Bend	trans	-119.8	8	-169.2	-53.8	-59.2	0	0	0	113.9	R31 E32 I33 E55 V59	F29-R31 PolarHBondContact O-N 3.4Å; F29-R31 VanDerWaalsContact O-N 3.08Å; F29-E32 WeakPolarHBondContact CA-OE2 3.21Å; F29-E32 PolarHBondContact O-N 3.26Å; F29-I33 HydrophobicContact CB-CG1 3.97Å; F29-I33 WeakPolarHBondContact O-CB 3.36Å; F29-I33 VanDerWaalsContact O-CG1 3.29Å; F29-I33 WeakPolarHBondContact O-CG1 3.26Å; F29-I33 PolarHBondContact O-N 3.37Å; F29-E55 HydrophobicContact CB-CG 4.42Å; F29-E55 HydrophobicContact CD2-CG 4.47Å; F29-E55 PolarHBondContact N-OE1 3.07Å; F29-V59 HydrophobicContact CD2-CG2 4.36Å; F29-V59 HydrophobicContact CE2-CG2 4.29Å
30	S	93.9	Very high	82.4	Confident	39 Å²	39	109.5 Å²	109.5	27%	0.273	53%	0.532	S	S	.	.	H	α-helix	trans	-57.1	-33.5	-171.1	-52.2	0	0	0	0	113.8	R27 R34 V51 E55	R27-S30 WeakPolarHBondContact CB-OG 3.03Å; S30-R34 WeakPolarHBondContact O-CB 3.3Å; S30-R34 PolarHBondContact O-N 2.83Å; S30-R34 VanDerWaalsContact O-N 3.08Å; S30-V51 WeakPolarHBondContact O-CG1 3.3Å; S30-E55 PolarHBondContact N-OE2 3.38Å; S30-E55 PolarHBondContact OG-OE2 3.02Å
31	R	94.7	Very high	84.6	Confident	186 Å²	186	107.3 Å²	107.3	70%	0.702	53%	0.531	S	S	*	.	H	α-helix	trans	-70	-48.8	177	-179.2	-179	62.4	-176.2	-0.9	110.9	F29 I33 R34 S35	F29-R31 PolarHBondContact O-N 3.4Å; F29-R31 VanDerWaalsContact O-N 3.08Å; R31-I33 VanDerWaalsContact C-N 3.34Å; R31-I33 PolarHBondContact O-N 2.73Å; R31-R34 PolarHBondContact O-N 3.48Å; R31-S35 PolarHBondContact O-N 3.47Å; R31-S35 VanDerWaalsContact O-N 3.09Å; R31-S35 PolarHBondContact O-OG 2.91Å
32	E	97	Very high	86.5	Confident	80 Å²	80	106.4 Å²	106.4	37%	0.374	53%	0.533	S	S	.	.	H	α-helix	trans	-65.1	-39.1	-179.3	-64.8	68	-149.6	0	0	111	F29 S35 M36	F29-E32 WeakPolarHBondContact CA-OE2 3.21Å; F29-E32 PolarHBondContact O-N 3.26Å; E32-S35 PolarHBondContact O-N 3.3Å; E32-M36 VanDerWaalsContact O-CB 3.29Å; E32-M36 WeakPolarHBondContact O-CB 3.3Å; E32-M36 PolarHBondContact O-N 2.81Å
33	I	97.3	Very high	88.5	Confident	17 Å²	17	106.1 Å²	106.1	9%	0.087	53%	0.531	C	S	.	.	H	α-helix	trans	-64.4	-43.9	174.3	-65.7	-61.5	0	0	0	110.9	F29 R31 S35 M36 L37 V51 V54 E55	F29-I33 HydrophobicContact CB-CG1 3.97Å; F29-I33 WeakPolarHBondContact O-CB 3.36Å; F29-I33 VanDerWaalsContact O-CG1 3.29Å; F29-I33 WeakPolarHBondContact O-CG1 3.26Å; F29-I33 PolarHBondContact O-N 3.37Å; R31-I33 VanDerWaalsContact C-N 3.34Å; R31-I33 PolarHBondContact O-N 2.73Å; I33-S35 PolarHBondContact O-N 3.42Å; I33-M36 PolarHBondContact O-N 3.37Å; I33-M36 VanDerWaalsContact O-N 3.17Å; I33-L37 HydrophobicContact CG2-CD1 4.06Å; I33-L37 HydrophobicContact CG2-CG 4.25Å; I33-L37 WeakPolarHBondContact O-CG 3.28Å; I33-L37 PolarHBondContact O-N 3.47Å; I33-V51 HydrophobicContact CB-CG1 4.21Å; I33-V51 HydrophobicContact CG2-CG1 3.97Å; I33-V54 HydrophobicContact CD1-CG1 4.29Å; I33-V54 HydrophobicContact CG2-CB 4Å; I33-V54 HydrophobicContact CG2-CG1 3.78Å; I33-E55 HydrophobicContact CG1-CB 4.41Å
34	R	96.8	Very high	90.4	Very high	87 Å²	87	101.9 Å²	101.9	33%	0.328	52%	0.521	S	S	.	.	H	α-helix	trans	-58	-48.5	175.6	-177	-177.3	-63.1	-91.1	-7.9	111.6	S30 R31 M36 L37 Y38 P46	S30-R34 WeakPolarHBondContact O-CB 3.3Å; S30-R34 PolarHBondContact O-N 2.83Å; S30-R34 VanDerWaalsContact O-N 3.08Å; R31-R34 PolarHBondContact O-N 3.48Å; R34-M36 VanDerWaalsContact C-N 3.27Å; R34-M36 PolarHBondContact O-N 2.97Å; R34-L37 PolarHBondContact O-N 3.41Å; R34-Y38 PolarHBondContact O-N 3.33Å; R34-P46 HydrophobicContact CG-CG 3.87Å; R34-P46 PolarHBondContact NH1-O 2.93Å
35	S	97.4	Very high	92.3	Very high	76 Å²	76	103.8 Å²	103.8	53%	0.531	51%	0.513	S	S	.	.	H	α-helix	trans	-62.1	-37.4	176.9	-61.5	0	0	0	0	112.2	R31 E32 I33 A39	R31-S35 PolarHBondContact O-N 3.47Å; R31-S35 VanDerWaalsContact O-N 3.09Å; R31-S35 PolarHBondContact O-OG 2.91Å; E32-S35 PolarHBondContact O-N 3.3Å; I33-S35 PolarHBondContact O-N 3.42Å; S35-A39 WeakPolarHBondContact O-CB 3.27Å; S35-A39 PolarHBondContact O-N 3.43Å
36	M	97.5	Very high	94	Very high	104 Å²	104	95.1 Å²	95.1	51%	0.512	48%	0.477	S	S	.	.	H	α-helix	trans	-67.6	-45.2	177.9	-174.6	173	-70	0	0	111.8	E32 I33 R34 Y38 A39 F40	E32-M36 VanDerWaalsContact O-CB 3.29Å; E32-M36 WeakPolarHBondContact O-CB 3.3Å; E32-M36 PolarHBondContact O-N 2.81Å; I33-M36 PolarHBondContact O-N 3.37Å; I33-M36 VanDerWaalsContact O-N 3.17Å; R34-M36 VanDerWaalsContact C-N 3.27Å; R34-M36 PolarHBondContact O-N 2.97Å; M36-Y38 VanDerWaalsContact C-N 3.34Å; M36-Y38 PolarHBondContact O-N 2.92Å; M36-A39 CarbonylContact O-C 3.6Å; M36-A39 WeakPolarHBondContact O-CB 3.44Å; M36-A39 PolarHBondContact O-N 2.92Å; M36-A39 VanDerWaalsContact O-N 3.11Å; M36-F40 HydrophobicContact CG-CD2 3.63Å; M36-F40 HydrophobicContact CG-CE2 3.44Å; M36-F40 VanDerWaalsContact CG-CE2 3.44Å; M36-F40 WeakPolarHBondContact O-CD2 3.48Å; M36-F40 PolarHBondContact O-N 3.35Å; M36-F40 HydrophobicContact SD-CE2 3.99Å
37	L	98.1	Very high	95.3	Very high	23 Å²	23	91.5 Å²	91.5	12%	0.12	47%	0.465	C	S	.	.	H	α-helix	trans	-55.5	-49.2	176.3	-73.6	173.6	0	0	0	111.1	I33 R34 A39 F40 G41 D42 P46 T50 V51 V54	I33-L37 HydrophobicContact CG2-CD1 4.06Å; I33-L37 HydrophobicContact CG2-CG 4.25Å; I33-L37 WeakPolarHBondContact O-CG 3.28Å; I33-L37 PolarHBondContact O-N 3.47Å; R34-L37 PolarHBondContact O-N 3.41Å; L37-A39 VanDerWaalsContact C-N 3.35Å; L37-A39 PolarHBondContact O-N 3.09Å; L37-F40 CarbonylContact O-C 3.51Å; L37-F40 WeakPolarHBondContact O-CA 3.47Å; L37-F40 PolarHBondContact O-N 3.06Å; L37-G41 PolarHBondContact O-N 3.35Å; L37-D42 HydrophobicContact CB-CB 3.86Å; L37-D42 WeakPolarHBondContact O-CB 3.45Å; L37-D42 PolarHBondContact O-N 3.44Å; L37-P46 HydrophobicContact CD1-CB 4.11Å; L37-P46 HydrophobicContact CD1-CG 4.03Å; L37-T50 HydrophobicContact CD1-CG2 4.32Å; L37-V51 HydrophobicContact CD1-CG2 4.06Å; L37-V54 HydrophobicContact CD2-CG2 4.29Å
38	Y	97.7	Very high	96.1	Very high	133 Å²	133	91.1 Å²	91.1	52%	0.522	48%	0.475	S	S	.	.	H	α-helix	trans	-61.2	-41.1	175.4	-177.4	-112.9	0	0	0	112.7	R34 M36 F40 G41 D42 E44	R34-Y38 PolarHBondContact O-N 3.33Å; M36-Y38 VanDerWaalsContact C-N 3.34Å; M36-Y38 PolarHBondContact O-N 2.92Å; Y38-F40 PolarHBondContact O-N 2.92Å; Y38-G41 WeakPolarHBondContact O-CA 3.39Å; Y38-G41 PolarHBondContact O-N 2.63Å; Y38-D42 WeakPolarHBondContact CD2-O 3.43Å; Y38-E44 HydrophobicContact CD2-CB 3.95Å; Y38-E44 HydrophobicContact CD2-CG 4.45Å; Y38-E44 HydrophobicContact CE2-CB 3.92Å; Y38-E44 HydrophobicContact CE2-CG 4.38Å
39	A	97.8	Very high	96.4	Very high	85 Å²	85	90.4 Å²	90.4	70%	0.702	47%	0.47	S	S	*	.	H	α-helix	trans	-63.9	-25.3	175.3	0	0	0	0	0	113.3	S35 M36 L37 G41	S35-A39 WeakPolarHBondContact O-CB 3.27Å; S35-A39 PolarHBondContact O-N 3.43Å; M36-A39 CarbonylContact O-C 3.6Å; M36-A39 WeakPolarHBondContact O-CB 3.44Å; M36-A39 PolarHBondContact O-N 2.92Å; M36-A39 VanDerWaalsContact O-N 3.11Å; L37-A39 VanDerWaalsContact C-N 3.35Å; L37-A39 PolarHBondContact O-N 3.09Å; A39-G41 VanDerWaalsContact C-N 3.29Å
40	F	96.8	Very high	96.5	Very high	173 Å²	173	88.7 Å²	88.7	76%	0.759	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	0.8	171.1	-79.8	-72.5	0	0	0	113.5	M36 L37 Y38	M36-F40 HydrophobicContact CG-CD2 3.63Å; M36-F40 HydrophobicContact CG-CE2 3.44Å; M36-F40 VanDerWaalsContact CG-CE2 3.44Å; M36-F40 WeakPolarHBondContact O-CD2 3.48Å; M36-F40 PolarHBondContact O-N 3.35Å; M36-F40 HydrophobicContact SD-CE2 3.99Å; L37-F40 CarbonylContact O-C 3.51Å; L37-F40 WeakPolarHBondContact O-CA 3.47Å; L37-F40 PolarHBondContact O-N 3.06Å; Y38-F40 PolarHBondContact O-N 2.92Å
41	G	97.3	Very high	96.6	Very high	67 Å²	67	87 Å²	87	69%	0.691	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	15.7	177.7	0	0	0	0	0	114.9	L37 Y38 A39	L37-G41 PolarHBondContact O-N 3.35Å; Y38-G41 WeakPolarHBondContact O-CA 3.39Å; Y38-G41 PolarHBondContact O-N 2.63Å; A39-G41 VanDerWaalsContact C-N 3.29Å
42	D	96.5	Very high	96.6	Very high	71 Å²	71	79.7 Å²	79.7	38%	0.38	43%	0.432	S	S	.	.			trans	-72.6	174.7	167.8	-152.3	-17.9	0	0	0	110.9	L37 Y38	L37-D42 HydrophobicContact CB-CB 3.86Å; L37-D42 WeakPolarHBondContact O-CB 3.45Å; L37-D42 PolarHBondContact O-N 3.44Å; Y38-D42 WeakPolarHBondContact CD2-O 3.43Å
43	D	96.6	Very high	96.5	Very high	97 Å²	97	80.7 Å²	80.7	52%	0.519	44%	0.439	S	S	.	.			trans	-56.8	148.4	175.8	-165.5	-89.6	0	0	0	111.4	N45 P46	D43-N45 PolarHBondContact O-N 2.89Å; D43-N45 VanDerWaalsContact OD1-C 3.27Å; D43-N45 VanDerWaalsContact OD1-CA 3.32Å; D43-N45 WeakPolarHBondContact OD1-CA 3.38Å; D43-N45 PolarHBondContact OD1-N 3.39Å; D43-P46 VanDerWaalsContact O-CD 3.31Å; D43-P46 WeakPolarHBondContact O-CD 3.48Å
44	E	95.6	Very high	96.4	Very high	125 Å²	125	82.1 Å²	82.1	58%	0.584	45%	0.449	S	S	*	.	S	Bend	trans	-64.1	-31.7	176.2	-174.7	177.8	-167.6	0	0	111.5	Y38 P46	Y38-E44 HydrophobicContact CD2-CB 3.95Å; Y38-E44 HydrophobicContact CD2-CG 4.45Å; Y38-E44 HydrophobicContact CE2-CB 3.92Å; Y38-E44 HydrophobicContact CE2-CG 4.38Å; E44-P46 VanDerWaalsContact O-CD 3.27Å; E44-P46 WeakPolarHBondContact O-CD 3.36Å
45	N	95.4	Very high	96.4	Very high	112 Å²	112	78.3 Å²	78.3	60%	0.599	44%	0.435	S	S	*	.	S	Bend	trans	-119.5	65.1	-179.6	-61.8	-70	0	0	0	110.9	D43	D43-N45 PolarHBondContact O-N 2.89Å; D43-N45 VanDerWaalsContact OD1-C 3.27Å; D43-N45 VanDerWaalsContact OD1-CA 3.32Å; D43-N45 WeakPolarHBondContact OD1-CA 3.38Å; D43-N45 PolarHBondContact OD1-N 3.39Å
46	P	96.9	Very high	96.3	Very high	7 Å²	7	77 Å²	77	5%	0.045	42%	0.422	C	S	.	.			trans	-61.9	151.6	-179	29.3	-35.3	0	0	0	110.6	R34 L37 D43 E44 V51	R34-P46 HydrophobicContact CG-CG 3.87Å; R34-P46 PolarHBondContact NH1-O 2.93Å; L37-P46 HydrophobicContact CD1-CB 4.11Å; L37-P46 HydrophobicContact CD1-CG 4.03Å; D43-P46 VanDerWaalsContact O-CD 3.31Å; D43-P46 WeakPolarHBondContact O-CD 3.48Å; E44-P46 VanDerWaalsContact O-CD 3.27Å; E44-P46 WeakPolarHBondContact O-CD 3.36Å; P46-V51 HydrophobicContact CB-CG2 4.22Å; P46-V51 HydrophobicContact CG-CG2 3.74Å
47	L	96.4	Very high	96.2	Very high	113 Å²	113	76.4 Å²	76.4	59%	0.592	42%	0.42	S	S	*	.			trans	-55.8	137	177.9	-65.6	177	0	0	0	110.5	E49 T50 V51	L47-E49 PolarHBondContact O-N 3.26Å; L47-E49 VanDerWaalsContact O-N 3.15Å; L47-T50 WeakPolarHBondContact O-CB 3.43Å; L47-T50 PolarHBondContact O-N 2.9Å; L47-V51 PolarHBondContact O-N 3.47Å; L47-V51 VanDerWaalsContact O-N 3.13Å
48	P	94.7	Very high	96.1	Very high	85 Å²	85	77 Å²	77	55%	0.552	43%	0.428	S	S	*	.	H	α-helix	trans	-53.4	-34.9	176.6	-26.5	35	0	0	0	113.2	V51 S52	P48-V51 PolarHBondContact O-N 3.42Å; P48-S52 VanDerWaalsContact O-CB 3.25Å; P48-S52 WeakPolarHBondContact O-CB 3.39Å; P48-S52 PolarHBondContact O-N 2.78Å
49	E	95.4	Very high	95.9	Very high	132 Å²	132	72.8 Å²	72.8	62%	0.617	42%	0.416	S	S	*	.	H	α-helix	trans	-65.1	-40.7	177.3	-61.6	76.2	-168.3	0	0	111.8	L47 S52 L53	L47-E49 PolarHBondContact O-N 3.26Å; L47-E49 VanDerWaalsContact O-N 3.15Å; E49-S52 WeakPolarHBondContact O-CB 3.35Å; E49-S52 PolarHBondContact O-N 3.2Å; E49-L53 WeakPolarHBondContact O-CB 3.47Å; E49-L53 PolarHBondContact O-N 3.2Å
50	T	96	Very high	95.8	Very high	50 Å²	50	73.4 Å²	73.4	31%	0.307	40%	0.4	S	S	.	.	H	α-helix	trans	-64	-48.9	175.4	-57.3	0	0	0	0	110.6	L37 L47 S52 L53 V54	L37-T50 HydrophobicContact CD1-CG2 4.32Å; L47-T50 WeakPolarHBondContact O-CB 3.43Å; L47-T50 PolarHBondContact O-N 2.9Å; T50-S52 VanDerWaalsContact C-N 3.28Å; T50-S52 PolarHBondContact O-N 3.38Å; T50-L53 PolarHBondContact O-N 3.31Å; T50-V54 HydrophobicContact CG2-CG2 4.43Å; T50-V54 VanDerWaalsContact O-CG2 3.29Å; T50-V54 WeakPolarHBondContact O-CG2 3.31Å; T50-V54 PolarHBondContact O-N 2.88Å
51	V	96.1	Very high	95.7	Very high	5 Å²	5	70 Å²	70	3%	0.03	39%	0.386	C	S	.	.	H	α-helix	trans	-58.1	-45.3	177.8	177.4	0	0	0	0	110.4	S30 I33 L37 P46 L47 P48 V54 E55	S30-V51 WeakPolarHBondContact O-CG1 3.3Å; I33-V51 HydrophobicContact CB-CG1 4.21Å; I33-V51 HydrophobicContact CG2-CG1 3.97Å; L37-V51 HydrophobicContact CD1-CG2 4.06Å; P46-V51 HydrophobicContact CB-CG2 4.22Å; P46-V51 HydrophobicContact CG-CG2 3.74Å; L47-V51 PolarHBondContact O-N 3.47Å; L47-V51 VanDerWaalsContact O-N 3.13Å; P48-V51 PolarHBondContact O-N 3.42Å; V51-V54 PolarHBondContact O-N 3.28Å; V51-E55 WeakPolarHBondContact O-CB 3.09Å; V51-E55 PolarHBondContact O-N 3.48Å
52	S	94.3	Very high	95.6	Very high	32 Å²	32	71.1 Å²	71.1	22%	0.224	38%	0.376	C	S	.	.	H	α-helix	trans	-59.7	-47.9	177.4	179.1	0	0	0	0	112.1	R27 P48 E49 T50 E55 D56	R27-S52 PolarHBondContact NH1-O 2.9Å; R27-S52 PolarHBondContact NH1-OG 2.91Å; R27-S52 PolarHBondContact NH2-OG 3.5Å; P48-S52 VanDerWaalsContact O-CB 3.25Å; P48-S52 WeakPolarHBondContact O-CB 3.39Å; P48-S52 PolarHBondContact O-N 2.78Å; E49-S52 WeakPolarHBondContact O-CB 3.35Å; E49-S52 PolarHBondContact O-N 3.2Å; T50-S52 VanDerWaalsContact C-N 3.28Å; T50-S52 PolarHBondContact O-N 3.38Å; S52-E55 PolarHBondContact O-N 2.95Å; S52-D56 VanDerWaalsContact O-CG 3.25Å; S52-D56 PolarHBondContact O-N 3.48Å
53	L	95.7	Very high	95.5	Very high	100 Å²	100	70 Å²	70	52%	0.524	37%	0.369	S	S	.	.	H	α-helix	trans	-64.2	-43.5	-179.1	176.4	61.3	0	0	0	111.7	E49 T50 E55 D56 I57	E49-L53 WeakPolarHBondContact O-CB 3.47Å; E49-L53 PolarHBondContact O-N 3.2Å; T50-L53 PolarHBondContact O-N 3.31Å; L53-E55 VanDerWaalsContact C-N 3.32Å; L53-E55 PolarHBondContact O-N 3.44Å; L53-D56 PolarHBondContact O-N 3.28Å; L53-I57 HydrophobicContact CD1-CD1 4.16Å; L53-I57 HydrophobicContact CD1-CG1 4.38Å; L53-I57 HydrophobicContact CG-CD1 4Å; L53-I57 VanDerWaalsContact O-CG1 3.31Å; L53-I57 WeakPolarHBondContact O-CG1 3.43Å; L53-I57 PolarHBondContact O-N 2.95Å
54	V	96.5	Very high	95.5	Very high	48 Å²	48	69.3 Å²	69.3	29%	0.291	36%	0.363	S	S	.	.	H	α-helix	trans	-65.3	-39.6	178.9	174.4	0	0	0	0	110.7	I33 L37 T50 V51 I57 A58	I33-V54 HydrophobicContact CD1-CG1 4.29Å; I33-V54 HydrophobicContact CG2-CB 4Å; I33-V54 HydrophobicContact CG2-CG1 3.78Å; L37-V54 HydrophobicContact CD2-CG2 4.29Å; T50-V54 HydrophobicContact CG2-CG2 4.43Å; T50-V54 VanDerWaalsContact O-CG2 3.29Å; T50-V54 WeakPolarHBondContact O-CG2 3.31Å; T50-V54 PolarHBondContact O-N 2.88Å; V51-V54 PolarHBondContact O-N 3.28Å; V54-I57 PolarHBondContact O-N 3.29Å; V54-A58 WeakPolarHBondContact O-CB 3.5Å; V54-A58 PolarHBondContact O-N 3.23Å
55	E	95.4	Very high	95.5	Very high	7 Å²	7	65.2 Å²	65.2	3%	0.033	34%	0.344	C	S	.	.	H	α-helix	trans	-60.1	-44.6	172.1	-174.3	170.1	178.2	0	0	111.4	R27 M28 F29 S30 I33 V51 S52 L53 I57 A58 V59	R27-E55 WeakPolarHBondContact CA-OE1 3.35Å; M28-E55 PolarHBondContact N-OE1 3.44Å; F29-E55 HydrophobicContact CB-CG 4.42Å; F29-E55 HydrophobicContact CD2-CG 4.47Å; F29-E55 PolarHBondContact N-OE1 3.07Å; S30-E55 PolarHBondContact N-OE2 3.38Å; S30-E55 PolarHBondContact OG-OE2 3.02Å; I33-E55 HydrophobicContact CG1-CB 4.41Å; V51-E55 WeakPolarHBondContact O-CB 3.09Å; V51-E55 PolarHBondContact O-N 3.48Å; S52-E55 PolarHBondContact O-N 2.95Å; L53-E55 VanDerWaalsContact C-N 3.32Å; L53-E55 PolarHBondContact O-N 3.44Å; E55-I57 PolarHBondContact O-N 3.26Å; E55-A58 PolarHBondContact O-N 3.32Å; E55-V59 HydrophobicContact CG-CG2 4.39Å; E55-V59 WeakPolarHBondContact O-CB 3.43Å; E55-V59 VanDerWaalsContact O-CG2 3.31Å; E55-V59 WeakPolarHBondContact O-CG2 3.37Å; E55-V59 PolarHBondContact O-N 3.28Å
56	D	94.6	Very high	95.4	Very high	49 Å²	49	62.4 Å²	62.4	26%	0.262	33%	0.331	S	S	.	.	H	α-helix	trans	-62.7	-42.2	178.1	-68.7	-25.3	0	0	0	112	R27 S52 L53 R60	R27-D56 IonicContact CZ-OD1 3.71Å; R27-D56 IonicContact NH1-OD1 2.73Å; R27-D56 PolarHBondContact NH1-OD1 3.48Å; R27-D56 IonicContact NH1-OD2 3.62Å; R27-D56 IonicContact NH2-OD1 2.69Å; R27-D56 IonicContact NH2-OD2 3.53Å; S52-D56 VanDerWaalsContact O-CG 3.25Å; S52-D56 PolarHBondContact O-N 3.48Å; L53-D56 PolarHBondContact O-N 3.28Å; D56-R60 VanDerWaalsContact O-CB 3.26Å; D56-R60 WeakPolarHBondContact O-CB 2.88Å; D56-R60 PolarHBondContact O-N 3.12Å
57	I	96.6	Very high	95.3	Very high	90 Å²	90	67.8 Å²	67.8	46%	0.462	35%	0.354	S	S	.	.	H	α-helix	trans	-63.1	-45.6	175.9	-67.3	165.3	0	0	0	110.5	L53 V54 E55 R60 H61	L53-I57 HydrophobicContact CD1-CD1 4.16Å; L53-I57 HydrophobicContact CD1-CG1 4.38Å; L53-I57 HydrophobicContact CG-CD1 4Å; L53-I57 VanDerWaalsContact O-CG1 3.31Å; L53-I57 WeakPolarHBondContact O-CG1 3.43Å; L53-I57 PolarHBondContact O-N 2.95Å; V54-I57 PolarHBondContact O-N 3.29Å; E55-I57 PolarHBondContact O-N 3.26Å; I57-R60 PolarHBondContact O-N 2.87Å; I57-H61 WeakPolarHBondContact O-CB 3.31Å; I57-H61 PolarHBondContact O-N 2.83Å
58	A	95.2	Very high	95.2	Very high	36 Å²	36	65 Å²	65	30%	0.298	34%	0.337	S	S	.	.	H	α-helix	trans	-64.7	-46	-179.3	0	0	0	0	0	111.9	V54 E55 H61 I62	V54-A58 WeakPolarHBondContact O-CB 3.5Å; V54-A58 PolarHBondContact O-N 3.23Å; E55-A58 PolarHBondContact O-N 3.32Å; A58-H61 WeakPolarHBondContact O-CB 3.33Å; A58-H61 PolarHBondContact O-N 3.26Å; A58-I62 WeakPolarHBondContact O-CG1 3.24Å; A58-I62 PolarHBondContact O-N 3.39Å
59	V	94.1	Very high	95.3	Very high	44 Å²	44	60.9 Å²	60.9	27%	0.267	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-45.2	177.9	170.2	0	0	0	0	110.7	F29 E55 H61 I62 I63	F29-V59 HydrophobicContact CD2-CG2 4.36Å; F29-V59 HydrophobicContact CE2-CG2 4.29Å; E55-V59 HydrophobicContact CG-CG2 4.39Å; E55-V59 WeakPolarHBondContact O-CB 3.43Å; E55-V59 VanDerWaalsContact O-CG2 3.31Å; E55-V59 WeakPolarHBondContact O-CG2 3.37Å; E55-V59 PolarHBondContact O-N 3.28Å; V59-H61 VanDerWaalsContact C-N 3.31Å; V59-H61 PolarHBondContact O-N 2.94Å; V59-I62 PolarHBondContact O-N 3.16Å; V59-I63 HydrophobicContact CG1-CD1 3.77Å; V59-I63 HydrophobicContact CG1-CG1 4.43Å; V59-I63 WeakPolarHBondContact O-CG1 3.47Å; V59-I63 PolarHBondContact O-N 3.14Å
60	R	95.1	Very high	95.2	Very high	99 Å²	99	58.5 Å²	58.5	37%	0.374	30%	0.302	S	S	.	.	H	α-helix	trans	-58	-46	176.3	-171.6	-173.3	-57.6	122.9	6.9	111.2	D56 I57 I62 I63 E64	D56-R60 VanDerWaalsContact O-CB 3.26Å; D56-R60 WeakPolarHBondContact O-CB 2.88Å; D56-R60 PolarHBondContact O-N 3.12Å; I57-R60 PolarHBondContact O-N 2.87Å; R60-I62 VanDerWaalsContact C-N 3.32Å; R60-I62 PolarHBondContact O-N 3.23Å; R60-I63 PolarHBondContact O-N 3.35Å; R60-I63 VanDerWaalsContact O-N 3.16Å; R60-E64 WeakPolarHBondContact CD-OE1 3.35Å; R60-E64 HydrophobicContact CG-CG 4.47Å; R60-E64 VanDerWaalsContact CG-OE1 3.29Å; R60-E64 WeakPolarHBondContact CG-OE1 3.46Å; R60-E64 WeakPolarHBondContact O-CG 3.49Å; R60-E64 PolarHBondContact O-N 2.71Å
61	H	95.9	Very high	95	Very high	100 Å²	100	61.6 Å²	61.6	46%	0.463	31%	0.311	S	S	.	.	H	α-helix	trans	-58.4	-43.4	176.9	-179.1	62.8	0	0	0	112.3	I57 A58 V59 I63 E64 M65	I57-H61 WeakPolarHBondContact O-CB 3.31Å; I57-H61 PolarHBondContact O-N 2.83Å; A58-H61 WeakPolarHBondContact O-CB 3.33Å; A58-H61 PolarHBondContact O-N 3.26Å; V59-H61 VanDerWaalsContact C-N 3.31Å; V59-H61 PolarHBondContact O-N 2.94Å; H61-I63 PolarHBondContact O-N 3.06Å; H61-E64 PolarHBondContact O-N 3.46Å; H61-M65 VanDerWaalsContact CE1-CG 3.47Å; H61-M65 WeakPolarHBondContact CE1-CG 3.49Å; H61-M65 VanDerWaalsContact O-CB 3.28Å; H61-M65 WeakPolarHBondContact O-CB 3.31Å; H61-M65 VanDerWaalsContact O-CG 3.24Å; H61-M65 WeakPolarHBondContact O-CG 3.34Å; H61-M65 PolarHBondContact O-N 3.27Å
62	I	95.2	Very high	94.7	Very high	92 Å²	92	63.8 Å²	63.8	47%	0.472	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-43.7	176.9	-67.6	164.2	0	0	0	110.8	A58 V59 R60 M65 T66	A58-I62 WeakPolarHBondContact O-CG1 3.24Å; A58-I62 PolarHBondContact O-N 3.39Å; V59-I62 PolarHBondContact O-N 3.16Å; R60-I62 VanDerWaalsContact C-N 3.32Å; R60-I62 PolarHBondContact O-N 3.23Å; I62-M65 PolarHBondContact O-N 3.38Å; I62-T66 HydrophobicContact CG2-CG2 4.33Å; I62-T66 WeakPolarHBondContact O-CB 3.23Å; I62-T66 VanDerWaalsContact O-CG2 3.27Å; I62-T66 WeakPolarHBondContact O-CG2 3.08Å; I62-T66 PolarHBondContact O-N 3.07Å; I62-T66 PolarHBondContact O-OG1 3.09Å
63	I	94.8	Very high	94.3	Very high	48 Å²	48	63.3 Å²	63.3	25%	0.246	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-47.6	178.7	-68.5	167	0	0	0	110.6	Y21 V59 R60 H61 M65 T66 K67	Y21-I63 HydrophobicContact CE1-CD1 3.69Å; V59-I63 HydrophobicContact CG1-CD1 3.77Å; V59-I63 HydrophobicContact CG1-CG1 4.43Å; V59-I63 WeakPolarHBondContact O-CG1 3.47Å; V59-I63 PolarHBondContact O-N 3.14Å; R60-I63 PolarHBondContact O-N 3.35Å; R60-I63 VanDerWaalsContact O-N 3.16Å; H61-I63 PolarHBondContact O-N 3.06Å; I63-M65 PolarHBondContact O-N 3.43Å; I63-T66 WeakPolarHBondContact CA-OG1 3.4Å; I63-T66 PolarHBondContact O-N 3.21Å; I63-T66 PolarHBondContact O-OG1 2.98Å; I63-K67 HydrophobicContact CG2-CD 4.04Å; I63-K67 HydrophobicContact CG2-CG 4.42Å; I63-K67 WeakPolarHBondContact O-CB 3.48Å; I63-K67 VanDerWaalsContact O-CG 3.28Å; I63-K67 WeakPolarHBondContact O-CG 3.42Å; I63-K67 PolarHBondContact O-N 2.68Å
64	E	95.9	Very high	93.9	Very high	81 Å²	81	66.2 Å²	66.2	38%	0.379	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-44.4	178.7	-72.1	170.3	-168.3	0	0	111.8	R60 H61 T66 K67 K68	R60-E64 WeakPolarHBondContact CD-OE1 3.35Å; R60-E64 HydrophobicContact CG-CG 4.47Å; R60-E64 VanDerWaalsContact CG-OE1 3.29Å; R60-E64 WeakPolarHBondContact CG-OE1 3.46Å; R60-E64 WeakPolarHBondContact O-CG 3.49Å; R60-E64 PolarHBondContact O-N 2.71Å; H61-E64 PolarHBondContact O-N 3.46Å; E64-T66 PolarHBondContact O-N 3.08Å; E64-K67 PolarHBondContact O-N 3.49Å; E64-K68 WeakPolarHBondContact O-CB 3.28Å; E64-K68 WeakPolarHBondContact O-CG 3.14Å; E64-K68 PolarHBondContact O-N 2.97Å
65	M	95.2	Very high	93.5	Very high	39 Å²	39	70 Å²	70	19%	0.192	36%	0.356	C	S	.	.	H	α-helix	trans	-62.2	-43.1	177.4	-77.7	-64.1	-60.2	0	0	111.9	H61 I62 I63 K68 A69 V83 L86 V87	H61-M65 VanDerWaalsContact CE1-CG 3.47Å; H61-M65 WeakPolarHBondContact CE1-CG 3.49Å; H61-M65 VanDerWaalsContact O-CB 3.28Å; H61-M65 WeakPolarHBondContact O-CB 3.31Å; H61-M65 VanDerWaalsContact O-CG 3.24Å; H61-M65 WeakPolarHBondContact O-CG 3.34Å; H61-M65 PolarHBondContact O-N 3.27Å; I62-M65 PolarHBondContact O-N 3.38Å; I63-M65 PolarHBondContact O-N 3.43Å; M65-K68 PolarHBondContact O-N 3.38Å; M65-A69 WeakPolarHBondContact O-CB 3.15Å; M65-A69 PolarHBondContact O-N 3.06Å; M65-V83 HydrophobicContact CE-CG1 4.38Å; M65-L86 HydrophobicContact CE-CB 3.95Å; M65-L86 HydrophobicContact CE-CD1 3.94Å; M65-L86 WeakPolarHBondContact O-CD1 3.4Å; M65-V87 HydrophobicContact CE-CG1 3.87Å
66	T	94.6	Very high	93.2	Very high	53 Å²	53	73.5 Å²	73.5	33%	0.325	39%	0.394	S	S	.	.	H	α-helix	trans	-71.1	-37.5	179.3	51	0	0	0	0	112.3	I62 I63 E64 A69 L70 I78	I62-T66 HydrophobicContact CG2-CG2 4.33Å; I62-T66 WeakPolarHBondContact O-CB 3.23Å; I62-T66 VanDerWaalsContact O-CG2 3.27Å; I62-T66 WeakPolarHBondContact O-CG2 3.08Å; I62-T66 PolarHBondContact O-N 3.07Å; I62-T66 PolarHBondContact O-OG1 3.09Å; I63-T66 WeakPolarHBondContact CA-OG1 3.4Å; I63-T66 PolarHBondContact O-N 3.21Å; I63-T66 PolarHBondContact O-OG1 2.98Å; E64-T66 PolarHBondContact O-N 3.08Å; T66-A69 PolarHBondContact O-N 3.47Å; T66-L70 WeakPolarHBondContact O-CB 3.31Å; T66-L70 PolarHBondContact O-N 3.16Å; T66-I78 HydrophobicContact CG2-CD1 3.99Å
67	K	94.3	Very high	93.2	Very high	120 Å²	120	78.2 Å²	78.2	52%	0.522	41%	0.412	S	S	.	.	H	α-helix	trans	-58.5	-48.3	169.6	-76.1	177.1	177.6	-177.4	0	111.1	I63 E64 A69 L70 K71	I63-K67 HydrophobicContact CG2-CD 4.04Å; I63-K67 HydrophobicContact CG2-CG 4.42Å; I63-K67 WeakPolarHBondContact O-CB 3.48Å; I63-K67 VanDerWaalsContact O-CG 3.28Å; I63-K67 WeakPolarHBondContact O-CG 3.42Å; I63-K67 PolarHBondContact O-N 2.68Å; E64-K67 PolarHBondContact O-N 3.49Å; K67-A69 VanDerWaalsContact C-N 3.3Å; K67-A69 PolarHBondContact O-N 3.5Å; K67-L70 PolarHBondContact O-N 2.96Å; K67-K71 WeakPolarHBondContact O-CG 3.48Å; K67-K71 PolarHBondContact O-N 3.5Å
68	K	94.7	Very high	93.1	Very high	54 Å²	54	77.1 Å²	77.1	24%	0.235	41%	0.406	C	S	.	.	H	α-helix	trans	-61.4	-38.4	176.7	-73.2	172.3	180	170.9	0	111.3	E14 E64 M65 K71 I72 L86	E14-K68 IonicContact OE1-NZ 3.83Å; E14-K68 PolarHBondContact OE1-NZ 3.32Å; E64-K68 WeakPolarHBondContact O-CB 3.28Å; E64-K68 WeakPolarHBondContact O-CG 3.14Å; E64-K68 PolarHBondContact O-N 2.97Å; M65-K68 PolarHBondContact O-N 3.38Å; K68-K71 PolarHBondContact O-N 3.37Å; K68-I72 PolarHBondContact O-N 2.9Å; K68-L86 HydrophobicContact CB-CD1 3.78Å; K68-L86 HydrophobicContact CB-CD2 4.13Å
69	A	95.1	Very high	93	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-69	-41.6	179.7	0	0	0	0	0	111.6	M65 T66 K67 K71 I72 G73 I78 D82 V83 L86	M65-A69 WeakPolarHBondContact O-CB 3.15Å; M65-A69 PolarHBondContact O-N 3.06Å; T66-A69 PolarHBondContact O-N 3.47Å; K67-A69 VanDerWaalsContact C-N 3.3Å; K67-A69 PolarHBondContact O-N 3.5Å; A69-K71 VanDerWaalsContact C-N 3.28Å; A69-K71 PolarHBondContact O-N 3.18Å; A69-I72 WeakPolarHBondContact O-CG1 3.45Å; A69-I72 PolarHBondContact O-N 3.41Å; A69-G73 PolarHBondContact O-N 3.46Å; A69-I78 HydrophobicContact CB-CG1 4.5Å; A69-I78 HydrophobicContact CB-CG2 3.95Å; A69-D82 HydrophobicContact CB-CB 4.17Å; A69-V83 HydrophobicContact CB-CG2 4.34Å; A69-L86 HydrophobicContact CB-CD1 3.86Å
70	L	93.4	Very high	93	Very high	82 Å²	82	78.8 Å²	78.8	43%	0.429	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-32.3	177.8	-170.4	65.4	0	0	0	112.6	T66 K67 I78	T66-L70 WeakPolarHBondContact O-CB 3.31Å; T66-L70 PolarHBondContact O-N 3.16Å; K67-L70 PolarHBondContact O-N 2.96Å; L70-I78 HydrophobicContact CB-CG1 4.46Å; L70-I78 HydrophobicContact CD1-CG1 4.36Å
71	K	91.6	Very high	93	Very high	114 Å²	114	80.3 Å²	80.3	50%	0.496	43%	0.426	S	S	.	.	H	α-helix	trans	-69	-30	177.2	-72.7	-176.5	-178.3	-172.7	0	113.3	D13 K67 K68 A69	D13-K71 IonicContact OD2-NZ 2.63Å; D13-K71 PolarHBondContact OD2-NZ 3.02Å; K67-K71 WeakPolarHBondContact O-CG 3.48Å; K67-K71 PolarHBondContact O-N 3.5Å; K68-K71 PolarHBondContact O-N 3.37Å; A69-K71 VanDerWaalsContact C-N 3.28Å; A69-K71 PolarHBondContact O-N 3.18Å
72	I	90.6	Very high	93	Very high	51 Å²	51	76.8 Å²	76.8	26%	0.262	41%	0.41	S	S	.	.	H	α-helix	trans	-96.8	-27	-179.6	61.8	168.8	0	0	0	113.4	F6 K68 A69 Y85 L86	F6-I72 HydrophobicContact CE1-CG2 4.24Å; F6-I72 HydrophobicContact CZ-CG2 3.69Å; K68-I72 PolarHBondContact O-N 2.9Å; A69-I72 WeakPolarHBondContact O-CG1 3.45Å; A69-I72 PolarHBondContact O-N 3.41Å; I72-Y85 HydrophobicContact CD1-CD1 3.53Å; I72-Y85 HydrophobicContact CD1-CE1 4.33Å; I72-Y85 HydrophobicContact CD1-CG 4.21Å; I72-L86 HydrophobicContact CD1-CD2 3.74Å; I72-L86 HydrophobicContact CD1-CG 3.81Å
73	G	86	Confident	92.9	Very high	23 Å²	23	75 Å²	75	24%	0.237	40%	0.403	C	S	.	.	S	Bend	trans	-86	-160.7	-174.5	0	0	0	0	0	113	A69 D82	A69-G73 PolarHBondContact O-N 3.46Å; G73-D82 WeakPolarHBondContact CA-OD1 3.5Å
74	K	87.8	Confident	92.9	Very high	161 Å²	161	74 Å²	74	70%	0.7	40%	0.399	S	S	*	.	B	Isolated β-bridge	trans	-77.6	141.5	175.9	-67.4	-178.7	-179.1	177.8	0	110.2	G76 K77	K74-G76 PolarHBondContact O-N 3.33Å; K74-K77 PolarHBondContact O-N 2.91Å
75	P	86.8	Confident	92.9	Very high	128 Å²	128	75.9 Å²	75.9	83%	0.831	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	129.2	173.8	-26.3	34.3	0	0	0	111.7	K77	P75-K77 VanDerWaalsContact C-N 3.31Å; P75-K77 PolarHBondContact O-N 3.44Å
76	G	90.1	Very high	92.9	Very high	79 Å²	79	76.5 Å²	76.5	81%	0.814	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	2.7	175.9	0	0	0	0	0	116.3	K74	K74-G76 PolarHBondContact O-N 3.33Å
77	K	93.6	Very high	93	Very high	148 Å²	148	75 Å²	75	64%	0.643	40%	0.398	S	S	*	.	B	Isolated β-bridge	trans	-143.6	135.1	176.8	-172.9	174.4	-179.7	176.9	0	111.9	K74 P75	K74-K77 PolarHBondContact O-N 2.91Å; P75-K77 VanDerWaalsContact C-N 3.31Å; P75-K77 PolarHBondContact O-N 3.44Å
78	I	94.6	Very high	93	Very high	68 Å²	68	74 Å²	74	35%	0.349	39%	0.392	S	S	.	.			trans	-104.6	127.4	171.5	-60	173.2	0	0	0	108.2	T66 A69 L70 V83	T66-I78 HydrophobicContact CG2-CD1 3.99Å; A69-I78 HydrophobicContact CB-CG1 4.5Å; A69-I78 HydrophobicContact CB-CG2 3.95Å; L70-I78 HydrophobicContact CB-CG1 4.46Å; L70-I78 HydrophobicContact CD1-CG1 4.36Å; I78-V83 HydrophobicContact CG2-CG2 3.97Å
79	S	94.7	Very high	93.1	Very high	36 Å²	36	78.9 Å²	78.9	25%	0.252	41%	0.408	S	S	.	.			trans	-104.3	167.3	171.9	88.1	0	0	0	0	112.1	E81 D82 V83	S79-E81 WeakPolarHBondContact CB-OE2 3.5Å; S79-E81 PolarHBondContact O-N 2.77Å; S79-E81 PolarHBondContact OG-N 2.95Å; S79-E81 PolarHBondContact OG-OE2 3.34Å; S79-D82 PolarHBondContact N-OD2 3.01Å; S79-D82 PolarHBondContact O-N 3.01Å; S79-D82 PolarHBondContact OG-N 3.01Å; S79-D82 PolarHBondContact OG-OD2 3.48Å; S79-V83 PolarHBondContact O-N 3.34Å
80	V	94.1	Very high	93.2	Very high	78 Å²	78	81.2 Å²	81.2	47%	0.473	42%	0.421	S	S	.	.	H	α-helix	trans	-63.5	-35.4	176.3	175.2	0	0	0	0	110.4	D82 V83 T84 L101	V80-D82 VanDerWaalsContact C-N 3.33Å; V80-D82 PolarHBondContact O-N 3.42Å; V80-V83 PolarHBondContact O-N 2.85Å; V80-T84 VanDerWaalsContact O-CB 3.26Å; V80-T84 WeakPolarHBondContact O-CB 3.2Å; V80-T84 PolarHBondContact O-N 3.16Å; V80-T84 PolarHBondContact O-OG1 3.48Å; V80-L101 HydrophobicContact CG1-CD1 3.84Å; V80-L101 HydrophobicContact CG1-CD2 3.71Å; V80-L101 HydrophobicContact CG1-CG 4.42Å
81	E	94	Very high	93.3	Very high	132 Å²	132	82 Å²	82	62%	0.617	43%	0.431	S	S	*	.	H	α-helix	trans	-63.8	-38.1	178.2	-59.3	73.7	-160.2	0	0	111.5	S79 T84 Y85	S79-E81 WeakPolarHBondContact CB-OE2 3.5Å; S79-E81 PolarHBondContact O-N 2.77Å; S79-E81 PolarHBondContact OG-N 2.95Å; S79-E81 PolarHBondContact OG-OE2 3.34Å; E81-T84 PolarHBondContact O-N 2.87Å; E81-Y85 VanDerWaalsContact O-CB 3.3Å; E81-Y85 WeakPolarHBondContact O-CB 3.43Å; E81-Y85 PolarHBondContact O-N 3.48Å
82	D	95.3	Very high	93.6	Very high	26 Å²	26	85 Å²	85	14%	0.139	44%	0.444	C	S	.	.	H	α-helix	trans	-61.4	-48.7	177.2	-59.3	-36.6	0	0	0	110.8	A69 G73 S79 V80 Y85 L86	A69-D82 HydrophobicContact CB-CB 4.17Å; G73-D82 WeakPolarHBondContact CA-OD1 3.5Å; S79-D82 PolarHBondContact N-OD2 3.01Å; S79-D82 PolarHBondContact O-N 3.01Å; S79-D82 PolarHBondContact OG-N 3.01Å; S79-D82 PolarHBondContact OG-OD2 3.48Å; V80-D82 VanDerWaalsContact C-N 3.33Å; V80-D82 PolarHBondContact O-N 3.42Å; D82-Y85 WeakPolarHBondContact O-CB 3.41Å; D82-Y85 PolarHBondContact O-N 2.9Å; D82-L86 PolarHBondContact O-N 3.48Å
83	V	94.5	Very high	93.8	Very high	54 Å²	54	88.1 Å²	88.1	33%	0.327	46%	0.456	S	S	.	.	H	α-helix	trans	-66	-41.9	178	-178.2	0	0	0	0	111.1	M65 A69 I78 S79 V80 Y85 L86 V87	M65-V83 HydrophobicContact CE-CG1 4.38Å; A69-V83 HydrophobicContact CB-CG2 4.34Å; I78-V83 HydrophobicContact CG2-CG2 3.97Å; S79-V83 PolarHBondContact O-N 3.34Å; V80-V83 PolarHBondContact O-N 2.85Å; V83-Y85 VanDerWaalsContact C-N 3.27Å; V83-Y85 PolarHBondContact O-N 3.04Å; V83-L86 PolarHBondContact O-N 3.45Å; V83-V87 PolarHBondContact O-N 2.95Å
84	T	95	Very high	94.3	Very high	27 Å²	27	89.6 Å²	89.6	17%	0.166	46%	0.455	C	S	.	.	H	α-helix	trans	-61.8	-37.1	177.4	-60.4	0	0	0	0	111.4	V80 E81 V87 R88 F94	V80-T84 VanDerWaalsContact O-CB 3.26Å; V80-T84 WeakPolarHBondContact O-CB 3.2Å; V80-T84 PolarHBondContact O-N 3.16Å; V80-T84 PolarHBondContact O-OG1 3.48Å; E81-T84 PolarHBondContact O-N 2.87Å; T84-V87 WeakPolarHBondContact O-CG2 3.36Å; T84-V87 PolarHBondContact O-N 2.77Å; T84-R88 PolarHBondContact O-N 2.84Å; T84-F94 HydrophobicContact CG2-CD2 4.09Å; T84-F94 HydrophobicContact CG2-CE2 3.53Å
85	Y	95.1	Very high	94.8	Very high	121 Å²	121	85.5 Å²	85.5	48%	0.475	45%	0.447	S	S	.	.	H	α-helix	trans	-64.3	-42.3	175.7	-178.2	-88.1	0	0	0	111.9	I72 E81 D82 V83 V87 R88	I72-Y85 HydrophobicContact CD1-CD1 3.53Å; I72-Y85 HydrophobicContact CD1-CE1 4.33Å; I72-Y85 HydrophobicContact CD1-CG 4.21Å; E81-Y85 VanDerWaalsContact O-CB 3.3Å; E81-Y85 WeakPolarHBondContact O-CB 3.43Å; E81-Y85 PolarHBondContact O-N 3.48Å; D82-Y85 WeakPolarHBondContact O-CB 3.41Å; D82-Y85 PolarHBondContact O-N 2.9Å; V83-Y85 VanDerWaalsContact C-N 3.27Å; V83-Y85 PolarHBondContact O-N 3.04Å; Y85-V87 VanDerWaalsContact C-N 3.33Å; Y85-V87 PolarHBondContact O-N 3.5Å; Y85-R88 WeakPolarHBondContact O-CB 3.29Å; Y85-R88 VanDerWaalsContact O-CD 3.23Å; Y85-R88 WeakPolarHBondContact O-CD 3.42Å; Y85-R88 WeakPolarHBondContact O-CG 3.26Å; Y85-R88 PolarHBondContact O-N 3.34Å; Y85-R88 PolarHBondContact OH-NH2 3.1Å
86	L	95.4	Very high	95.3	Very high	51 Å²	51	85.1 Å²	85.1	27%	0.267	43%	0.429	S	S	.	.	H	α-helix	trans	-62.6	-39	179	-69.8	175.6	0	0	0	112.6	M65 K68 A69 I72 D82 V83 R88	M65-L86 HydrophobicContact CE-CB 3.95Å; M65-L86 HydrophobicContact CE-CD1 3.94Å; M65-L86 WeakPolarHBondContact O-CD1 3.4Å; K68-L86 HydrophobicContact CB-CD1 3.78Å; K68-L86 HydrophobicContact CB-CD2 4.13Å; A69-L86 HydrophobicContact CB-CD1 3.86Å; I72-L86 HydrophobicContact CD1-CD2 3.74Å; I72-L86 HydrophobicContact CD1-CG 3.81Å; D82-L86 PolarHBondContact O-N 3.48Å; V83-L86 PolarHBondContact O-N 3.45Å; L86-R88 VanDerWaalsContact C-N 3.35Å
87	V	95.9	Very high	95.6	Very high	22 Å²	22	83.1 Å²	83.1	13%	0.133	40%	0.401	C	S	.	.	H	α-helix	trans	-86.2	-3.6	-177.5	-56.6	0	0	0	0	113.8	M65 V83 T84 Y85 R89 D90 K93 F94 V97	M65-V87 HydrophobicContact CE-CG1 3.87Å; V83-V87 PolarHBondContact O-N 2.95Å; T84-V87 WeakPolarHBondContact O-CG2 3.36Å; T84-V87 PolarHBondContact O-N 2.77Å; Y85-V87 VanDerWaalsContact C-N 3.33Å; Y85-V87 PolarHBondContact O-N 3.5Å; V87-R89 PolarHBondContact O-N 3.09Å; V87-D90 PolarHBondContact O-N 2.79Å; V87-K93 HydrophobicContact CB-CB 4.4Å; V87-F94 HydrophobicContact CG2-CD2 4.34Å; V87-V97 HydrophobicContact CG2-CG2 4.05Å
88	R	95.2	Very high	95.7	Very high	100 Å²	100	81.4 Å²	81.4	38%	0.377	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-23	-172.5	78.3	-172.7	171.7	68.9	-6.6	115.3	T84 Y85 L86 F94	T84-R88 PolarHBondContact O-N 2.84Å; Y85-R88 WeakPolarHBondContact O-CB 3.29Å; Y85-R88 VanDerWaalsContact O-CD 3.23Å; Y85-R88 WeakPolarHBondContact O-CD 3.42Å; Y85-R88 WeakPolarHBondContact O-CG 3.26Å; Y85-R88 PolarHBondContact O-N 3.34Å; Y85-R88 PolarHBondContact OH-NH2 3.1Å; L86-R88 VanDerWaalsContact C-N 3.35Å; R88-F94 HydrophobicContact CB-CD2 4.17Å; R88-F94 HydrophobicContact CB-CE2 4.1Å
89	R	95.6	Very high	95.9	Very high	156 Å²	156	83 Å²	83	59%	0.589	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.4	-179.8	-62.3	-172.5	-174.2	-169.7	4.2	112.6	V3 V87 P91	V3-R89 VanDerWaalsContact CG1-NH2 3.31Å; V87-R89 PolarHBondContact O-N 3.09Å; R89-P91 WeakPolarHBondContact O-CD 3.37Å
90	D	97.1	Very high	96	Very high	49 Å²	49	85.1 Å²	85.1	26%	0.262	41%	0.407	S	S	.	.			trans	-100.7	102.2	173.7	-176.2	-33.5	0	0	0	108.8	V87 K92 K93 F94	V87-D90 PolarHBondContact O-N 2.79Å; D90-K92 VanDerWaalsContact C-N 3.25Å; D90-K92 PolarHBondContact O-N 2.89Å; D90-K92 PolarHBondContact OD1-N 3.34Å; D90-K93 HydrophobicContact CB-CB 4.05Å; D90-K93 HydrophobicContact CB-CD 4.32Å; D90-K93 HydrophobicContact CB-CG 4.29Å; D90-K93 PolarHBondContact O-N 2.99Å; D90-K93 PolarHBondContact OD1-N 3.22Å; D90-K93 VanDerWaalsContact OD2-CD 3.3Å; D90-K93 WeakPolarHBondContact OD2-CD 3.3Å; D90-K93 WeakPolarHBondContact OD2-CE 3.41Å; D90-K93 WeakPolarHBondContact OD2-CG 3.39Å; D90-K93 IonicContact OD2-NZ 2.77Å; D90-K93 PolarHBondContact OD2-NZ 2.82Å; D90-F94 WeakPolarHBondContact O-CB 3.48Å; D90-F94 PolarHBondContact O-N 2.95Å
91	P	96.7	Very high	96.1	Very high	98 Å²	98	84.9 Å²	84.9	64%	0.636	40%	0.403	S	S	*	.	H	α-helix	trans	-62.9	-31.5	-174.6	24.3	-33.5	0	0	0	112.8	R89 S95	R89-P91 WeakPolarHBondContact O-CD 3.37Å; P91-S95 WeakPolarHBondContact O-CB 3.43Å; P91-S95 PolarHBondContact O-N 2.69Å
92	K	97.4	Very high	96.2	Very high	177 Å²	177	84 Å²	84	77%	0.77	40%	0.402	S	S	*	.	H	α-helix	trans	-70.8	-50.8	179.8	-68.4	-176.1	178.4	-178.5	0	110.4	D90 S95 R96	D90-K92 VanDerWaalsContact C-N 3.25Å; D90-K92 PolarHBondContact O-N 2.89Å; D90-K92 PolarHBondContact OD1-N 3.34Å; K92-S95 PolarHBondContact O-N 2.87Å; K92-R96 WeakPolarHBondContact O-CB 3.29Å; K92-R96 PolarHBondContact O-N 3.31Å
93	K	95.6	Very high	96.3	Very high	117 Å²	117	86.5 Å²	86.5	51%	0.509	42%	0.415	S	S	.	.	H	α-helix	trans	-63.3	-43.8	177.1	-67.9	-174.4	-173.3	108.6	0	111.3	V87 D90 S95 R96 V97	V87-K93 HydrophobicContact CB-CB 4.4Å; D90-K93 HydrophobicContact CB-CB 4.05Å; D90-K93 HydrophobicContact CB-CD 4.32Å; D90-K93 HydrophobicContact CB-CG 4.29Å; D90-K93 PolarHBondContact O-N 2.99Å; D90-K93 PolarHBondContact OD1-N 3.22Å; D90-K93 VanDerWaalsContact OD2-CD 3.3Å; D90-K93 WeakPolarHBondContact OD2-CD 3.3Å; D90-K93 WeakPolarHBondContact OD2-CE 3.41Å; D90-K93 WeakPolarHBondContact OD2-CG 3.39Å; D90-K93 IonicContact OD2-NZ 2.77Å; D90-K93 PolarHBondContact OD2-NZ 2.82Å; K93-S95 PolarHBondContact O-N 2.87Å; K93-R96 WeakPolarHBondContact O-CB 3.33Å; K93-R96 PolarHBondContact O-N 2.82Å; K93-R96 VanDerWaalsContact O-N 3.16Å; K93-V97 WeakPolarHBondContact O-CG2 3.29Å; K93-V97 PolarHBondContact O-N 3.17Å
94	F	96.6	Very high	96.4	Very high	54 Å²	54	87.2 Å²	87.2	24%	0.237	42%	0.422	C	S	.	.	H	α-helix	trans	-63.3	-42.1	179.8	-173.6	-111.8	0	0	0	112.5	T84 V87 R88 D90 R96 V97 K98	T84-F94 HydrophobicContact CG2-CD2 4.09Å; T84-F94 HydrophobicContact CG2-CE2 3.53Å; V87-F94 HydrophobicContact CG2-CD2 4.34Å; R88-F94 HydrophobicContact CB-CD2 4.17Å; R88-F94 HydrophobicContact CB-CE2 4.1Å; D90-F94 WeakPolarHBondContact O-CB 3.48Å; D90-F94 PolarHBondContact O-N 2.95Å; F94-R96 VanDerWaalsContact C-N 3.31Å; F94-R96 PolarHBondContact O-N 3.33Å; F94-V97 PolarHBondContact O-N 3.47Å; F94-K98 HydrophobicContact CD1-CD 4.44Å; F94-K98 HydrophobicContact CE1-CD 4.18Å; F94-K98 VanDerWaalsContact CE1-NZ 3.3Å; F94-K98 VanDerWaalsContact CZ-CE 3.47Å; F94-K98 PolarHBondContact O-N 3.3Å; F94-K98 VanDerWaalsContact O-N 3.12Å
95	S	97.6	Very high	96.4	Very high	75 Å²	75	89.7 Å²	89.7	52%	0.524	43%	0.432	S	S	.	.	H	α-helix	trans	-59.5	-44.8	172.8	-171.8	0	0	0	0	111	P91 K92 K93 V97 K98 E99	P91-S95 WeakPolarHBondContact O-CB 3.43Å; P91-S95 PolarHBondContact O-N 2.69Å; K92-S95 PolarHBondContact O-N 2.87Å; K93-S95 PolarHBondContact O-N 2.87Å; S95-V97 PolarHBondContact O-N 3.39Å; S95-K98 PolarHBondContact O-N 3.48Å; S95-E99 PolarHBondContact O-N 2.96Å; S95-E99 VanDerWaalsContact O-N 3.07Å
96	R	97.5	Very high	96.5	Very high	120 Å²	120	89.6 Å²	89.6	45%	0.453	44%	0.436	S	S	.	.	H	α-helix	trans	-62.8	-41.2	178.2	-176.4	56.5	175.2	164.9	1.3	112.5	K92 K93 F94 K98 E99 L100	K92-R96 WeakPolarHBondContact O-CB 3.29Å; K92-R96 PolarHBondContact O-N 3.31Å; K93-R96 WeakPolarHBondContact O-CB 3.33Å; K93-R96 PolarHBondContact O-N 2.82Å; K93-R96 VanDerWaalsContact O-N 3.16Å; F94-R96 VanDerWaalsContact C-N 3.31Å; F94-R96 PolarHBondContact O-N 3.33Å; R96-K98 VanDerWaalsContact C-N 3.35Å; R96-K98 PolarHBondContact O-N 2.85Å; R96-E99 WeakPolarHBondContact CD-OE2 3.44Å; R96-E99 IonicContact CZ-OE2 2.84Å; R96-E99 IonicContact NH1-OE1 3.63Å; R96-E99 PolarHBondContact NH1-OE1 3.28Å; R96-E99 IonicContact NH1-OE2 2.95Å; R96-E99 PolarHBondContact NH1-OE2 3.5Å; R96-E99 PolarHBondContact O-N 2.88Å; R96-L100 HydrophobicContact CG-CD1 4.06Å; R96-L100 HydrophobicContact CG-CG 4.46Å; R96-L100 VanDerWaalsContact O-CG 3.31Å; R96-L100 WeakPolarHBondContact O-CG 3.25Å; R96-L100 PolarHBondContact O-N 2.94Å
97	V	96.3	Very high	96.5	Very high	37 Å²	37	91.3 Å²	91.3	22%	0.224	45%	0.445	C	S	.	.	H	α-helix	trans	-59.6	-46.7	175.6	172.4	0	0	0	0	110.7	V87 K93 F94 S95 E99 L100 L101	V87-V97 HydrophobicContact CG2-CG2 4.05Å; K93-V97 WeakPolarHBondContact O-CG2 3.29Å; K93-V97 PolarHBondContact O-N 3.17Å; F94-V97 PolarHBondContact O-N 3.47Å; S95-V97 PolarHBondContact O-N 3.39Å; V97-E99 PolarHBondContact O-N 2.97Å; V97-L100 PolarHBondContact O-N 2.97Å; V97-L101 HydrophobicContact CG1-CD1 3.86Å; V97-L101 HydrophobicContact CG1-CG 4.24Å; V97-L101 VanDerWaalsContact O-CG 3.31Å; V97-L101 WeakPolarHBondContact O-CG 3.49Å; V97-L101 PolarHBondContact O-N 3.38Å
98	K	95.8	Very high	96.4	Very high	112 Å²	112	95 Å²	95	49%	0.487	46%	0.457	S	S	.	.	H	α-helix	trans	-58.7	-47	178.4	-73.3	-179.8	172.4	-179.6	0	112.4	F94 S95 R96 L100 L101 L102	F94-K98 HydrophobicContact CD1-CD 4.44Å; F94-K98 HydrophobicContact CE1-CD 4.18Å; F94-K98 VanDerWaalsContact CE1-NZ 3.3Å; F94-K98 VanDerWaalsContact CZ-CE 3.47Å; F94-K98 PolarHBondContact O-N 3.3Å; F94-K98 VanDerWaalsContact O-N 3.12Å; S95-K98 PolarHBondContact O-N 3.48Å; R96-K98 VanDerWaalsContact C-N 3.35Å; R96-K98 PolarHBondContact O-N 2.85Å; K98-L100 VanDerWaalsContact C-N 3.35Å; K98-L100 PolarHBondContact O-N 3.43Å; K98-L101 PolarHBondContact O-N 2.98Å; K98-L102 WeakPolarHBondContact O-CG 3.31Å; K98-L102 PolarHBondContact O-N 3.21Å
99	E	97.8	Very high	96.4	Very high	101 Å²	101	98.2 Å²	98.2	47%	0.472	47%	0.469	S	S	.	.	H	α-helix	trans	-58	-47.5	177.6	-172.1	-161.7	159.1	0	0	111.3	S95 R96 V97 L101 L102 L103	S95-E99 PolarHBondContact O-N 2.96Å; S95-E99 VanDerWaalsContact O-N 3.07Å; R96-E99 WeakPolarHBondContact CD-OE2 3.44Å; R96-E99 IonicContact CZ-OE2 2.84Å; R96-E99 IonicContact NH1-OE1 3.63Å; R96-E99 PolarHBondContact NH1-OE1 3.28Å; R96-E99 IonicContact NH1-OE2 2.95Å; R96-E99 PolarHBondContact NH1-OE2 3.5Å; R96-E99 PolarHBondContact O-N 2.88Å; V97-E99 PolarHBondContact O-N 2.97Å; E99-L101 VanDerWaalsContact C-N 3.35Å; E99-L101 PolarHBondContact O-N 2.93Å; E99-L102 PolarHBondContact O-N 2.73Å; E99-L103 WeakPolarHBondContact O-CB 3.35Å; E99-L103 PolarHBondContact O-N 3.08Å
100	L	97.6	Very high	96.3	Very high	80 Å²	80	92.9 Å²	92.9	42%	0.419	46%	0.458	S	S	.	.	H	α-helix	trans	-64.6	-37.2	179.6	-70.9	173.9	0	0	0	112.7	R96 V97 K98 S104	R96-L100 HydrophobicContact CG-CD1 4.06Å; R96-L100 HydrophobicContact CG-CG 4.46Å; R96-L100 VanDerWaalsContact O-CG 3.31Å; R96-L100 WeakPolarHBondContact O-CG 3.25Å; R96-L100 PolarHBondContact O-N 2.94Å; V97-L100 PolarHBondContact O-N 2.97Å; K98-L100 VanDerWaalsContact C-N 3.35Å; K98-L100 PolarHBondContact O-N 3.43Å; L100-S104 VanDerWaalsContact O-CB 3.3Å; L100-S104 WeakPolarHBondContact O-CB 3.31Å; L100-S104 PolarHBondContact O-N 3.01Å
101	L	96.3	Very high	96.1	Very high	74 Å²	74	98.8 Å²	98.8	39%	0.387	48%	0.476	S	S	.	.	H	α-helix	trans	-67.3	-40.2	175.9	-69.8	175.3	0	0	0	112	V80 V97 K98 E99 S104 E105	V80-L101 HydrophobicContact CG1-CD1 3.84Å; V80-L101 HydrophobicContact CG1-CD2 3.71Å; V80-L101 HydrophobicContact CG1-CG 4.42Å; V97-L101 HydrophobicContact CG1-CD1 3.86Å; V97-L101 HydrophobicContact CG1-CG 4.24Å; V97-L101 VanDerWaalsContact O-CG 3.31Å; V97-L101 WeakPolarHBondContact O-CG 3.49Å; V97-L101 PolarHBondContact O-N 3.38Å; K98-L101 PolarHBondContact O-N 2.98Å; E99-L101 VanDerWaalsContact C-N 3.35Å; E99-L101 PolarHBondContact O-N 2.93Å; L101-S104 PolarHBondContact O-N 3.38Å; L101-E105 PolarHBondContact O-N 3.09Å
102	L	96.8	Very high	95.9	Very high	113 Å²	113	99.2 Å²	99.2	59%	0.592	47%	0.468	S	S	*	.	H	α-helix	trans	-62.7	-49.6	174.5	-70.6	170.5	0	0	0	111	K98 E99 S104 E105 E106	K98-L102 WeakPolarHBondContact O-CG 3.31Å; K98-L102 PolarHBondContact O-N 3.21Å; E99-L102 PolarHBondContact O-N 2.73Å; L102-S104 VanDerWaalsContact C-N 3.28Å; L102-S104 PolarHBondContact O-N 3.07Å; L102-E105 PolarHBondContact O-N 3.46Å; L102-E105 VanDerWaalsContact O-N 3.09Å; L102-E106 WeakPolarHBondContact O-CG 3.29Å; L102-E106 PolarHBondContact O-N 3.08Å
103	L	97.1	Very high	95.5	Very high	79 Å²	79	93 Å²	93	41%	0.414	45%	0.45	S	S	.	.	H	α-helix	trans	-60.2	-39.7	178	-178.6	60.5	0	0	0	111.8	E99 E105 E106 L107	E99-L103 WeakPolarHBondContact O-CB 3.35Å; E99-L103 PolarHBondContact O-N 3.08Å; L103-E105 VanDerWaalsContact C-N 3.33Å; L103-E105 PolarHBondContact O-N 3.07Å; L103-E106 PolarHBondContact O-N 2.8Å; L103-L107 HydrophobicContact CD1-CG 4.41Å; L103-L107 HydrophobicContact CG-CD1 4.24Å; L103-L107 WeakPolarHBondContact O-CB 3.34Å; L103-L107 VanDerWaalsContact O-CG 3.3Å; L103-L107 WeakPolarHBondContact O-CG 3.27Å; L103-L107 PolarHBondContact O-N 3.5Å
104	S	95.3	Very high	95.2	Very high	68 Å²	68	94.6 Å²	94.6	48%	0.476	46%	0.457	S	S	.	.	H	α-helix	trans	-60.7	-42.5	175.1	-178	0	0	0	0	111.8	L100 L101 L102 R108	L100-S104 VanDerWaalsContact O-CB 3.3Å; L100-S104 WeakPolarHBondContact O-CB 3.31Å; L100-S104 PolarHBondContact O-N 3.01Å; L101-S104 PolarHBondContact O-N 3.38Å; L102-S104 VanDerWaalsContact C-N 3.28Å; L102-S104 PolarHBondContact O-N 3.07Å; S104-R108 WeakPolarHBondContact O-CB 3.46Å; S104-R108 PolarHBondContact O-N 3.26Å
105	E	96	Very high	94.7	Very high	79 Å²	79	97.9 Å²	97.9	37%	0.369	47%	0.473	S	S	.	.	H	α-helix	trans	-68.5	-38.5	177	-81.5	-63.5	115	0	0	112.6	L101 L102 L103 R108 R109	L101-E105 PolarHBondContact O-N 3.09Å; L102-E105 PolarHBondContact O-N 3.46Å; L102-E105 VanDerWaalsContact O-N 3.09Å; L103-E105 VanDerWaalsContact C-N 3.33Å; L103-E105 PolarHBondContact O-N 3.07Å; E105-R108 WeakPolarHBondContact O-CB 3.47Å; E105-R108 PolarHBondContact O-N 3.45Å; E105-R108 IonicContact OE1-CZ 3.84Å; E105-R108 IonicContact OE1-NE 2.97Å; E105-R108 PolarHBondContact OE1-NE 3.34Å; E105-R108 IonicContact OE1-NH2 3.83Å; E105-R108 IonicContact OE2-CZ 3.39Å; E105-R108 IonicContact OE2-NE 3.25Å; E105-R108 PolarHBondContact OE2-NE 2.91Å; E105-R108 IonicContact OE2-NH2 2.71Å; E105-R108 PolarHBondContact OE2-NH2 3.17Å; E105-R109 WeakPolarHBondContact O-CG 3.16Å; E105-R109 PolarHBondContact O-N 3.4Å
106	E	96	Very high	93.7	Very high	119 Å²	119	100.6 Å²	100.6	56%	0.556	48%	0.478	S	S	*	.	H	α-helix	trans	-62.4	-47.6	174.2	-73.3	174.1	-173.3	0	0	111.5	L102 L103 R108 R109 A110	L102-E106 WeakPolarHBondContact O-CG 3.29Å; L102-E106 PolarHBondContact O-N 3.08Å; L103-E106 PolarHBondContact O-N 2.8Å; E106-R108 VanDerWaalsContact C-N 3.27Å; E106-R108 PolarHBondContact O-N 3.29Å; E106-R109 PolarHBondContact O-N 3.45Å; E106-R109 VanDerWaalsContact O-N 3.15Å; E106-A110 WeakPolarHBondContact O-CB 3.2Å; E106-A110 PolarHBondContact O-N 3.24Å
107	L	95.4	Very high	92.6	Very high	88 Å²	88	99.5 Å²	99.5	46%	0.461	48%	0.481	S	S	.	.	H	α-helix	trans	-59.9	-39.4	174.8	-72.9	172.2	0	0	0	111.8	L103 A110 R111	L103-L107 HydrophobicContact CD1-CG 4.41Å; L103-L107 HydrophobicContact CG-CD1 4.24Å; L103-L107 WeakPolarHBondContact O-CB 3.34Å; L103-L107 VanDerWaalsContact O-CG 3.3Å; L103-L107 WeakPolarHBondContact O-CG 3.27Å; L103-L107 PolarHBondContact O-N 3.5Å; L107-A110 PolarHBondContact O-N 2.89Å; L107-R111 VanDerWaalsContact O-CG 3.28Å; L107-R111 WeakPolarHBondContact O-CG 3.41Å; L107-R111 PolarHBondContact O-N 3.38Å
108	R	95	Very high	91.2	Very high	99 Å²	99	104.5 Å²	104.5	37%	0.374	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-39.6	176.6	-168.8	-173.7	64.2	68	-4.6	111.7	S104 E105 E106 K112	S104-R108 WeakPolarHBondContact O-CB 3.46Å; S104-R108 PolarHBondContact O-N 3.26Å; E105-R108 WeakPolarHBondContact O-CB 3.47Å; E105-R108 PolarHBondContact O-N 3.45Å; E105-R108 IonicContact OE1-CZ 3.84Å; E105-R108 IonicContact OE1-NE 2.97Å; E105-R108 PolarHBondContact OE1-NE 3.34Å; E105-R108 IonicContact OE1-NH2 3.83Å; E105-R108 IonicContact OE2-CZ 3.39Å; E105-R108 IonicContact OE2-NE 3.25Å; E105-R108 PolarHBondContact OE2-NE 2.91Å; E105-R108 IonicContact OE2-NH2 2.71Å; E105-R108 PolarHBondContact OE2-NH2 3.17Å; E106-R108 VanDerWaalsContact C-N 3.27Å; E106-R108 PolarHBondContact O-N 3.29Å; R108-K112 WeakPolarHBondContact O-CG 3.45Å; R108-K112 PolarHBondContact O-N 3.13Å
109	R	94.8	Very high	89.6	Confident	168 Å²	168	106.4 Å²	106.4	63%	0.634	51%	0.51	S	S	*	.	H	α-helix	trans	-69.2	-45	176.2	-71.3	174	-172.6	-171.8	1	111.6	E105 E106 R111 K112 A113	E105-R109 WeakPolarHBondContact O-CG 3.16Å; E105-R109 PolarHBondContact O-N 3.4Å; E106-R109 PolarHBondContact O-N 3.45Å; E106-R109 VanDerWaalsContact O-N 3.15Å; R109-R111 VanDerWaalsContact C-N 3.34Å; R109-R111 PolarHBondContact O-N 3.43Å; R109-K112 PolarHBondContact O-N 3.18Å; R109-A113 PolarHBondContact O-N 2.9Å; R109-A113 VanDerWaalsContact O-N 3.12Å
110	A	93.5	Very high	87.9	Confident	44 Å²	44	106.7 Å²	106.7	36%	0.364	52%	0.515	S	S	.	.	H	α-helix	trans	-57.7	-47.6	178.4	0	0	0	0	0	111.2	E106 L107 K112 A113 F114	E106-A110 WeakPolarHBondContact O-CB 3.2Å; E106-A110 PolarHBondContact O-N 3.24Å; L107-A110 PolarHBondContact O-N 2.89Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 3.38Å; A110-A113 PolarHBondContact O-N 3.42Å; A110-F114 WeakPolarHBondContact O-CD2 3.43Å; A110-F114 PolarHBondContact O-N 2.97Å
111	R	92.5	Very high	86.1	Confident	172 Å²	172	108.8 Å²	108.8	65%	0.649	53%	0.531	S	S	*	.	H	α-helix	trans	-58.1	-41.6	177.5	-72.2	174.3	-173.4	-134.5	2.4	113.1	L107 R109 F114 E115	L107-R111 VanDerWaalsContact O-CG 3.28Å; L107-R111 WeakPolarHBondContact O-CG 3.41Å; L107-R111 PolarHBondContact O-N 3.38Å; R109-R111 VanDerWaalsContact C-N 3.34Å; R109-R111 PolarHBondContact O-N 3.43Å; R111-F114 PolarHBondContact O-N 3.46Å; R111-E115 PolarHBondContact O-N 2.96Å
112	K	93.1	Very high	84.3	Confident	107 Å²	107	112 Å²	112	47%	0.465	55%	0.548	S	S	.	.	H	α-helix	trans	-65.1	-39.7	178.1	-73.9	-175.5	171.7	-162.5	0	113	R108 R109 A110 F114 E115 E116	R108-K112 WeakPolarHBondContact O-CG 3.45Å; R108-K112 PolarHBondContact O-N 3.13Å; R109-K112 PolarHBondContact O-N 3.18Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 3.38Å; K112-F114 VanDerWaalsContact C-N 3.33Å; K112-F114 PolarHBondContact O-N 3.42Å; K112-E115 PolarHBondContact O-N 3.05Å; K112-E116 PolarHBondContact O-N 3.11Å; K112-E116 VanDerWaalsContact O-N 3.11Å
113	A	89.2	Confident	81.8	Confident	46 Å²	46	117.6 Å²	117.6	38%	0.38	57%	0.567	S	S	.	*	H	α-helix	trans	-61.7	-41.9	177.3	0	0	0	0	0	111.6	R109 A110 E115 E116 D117	R109-A113 PolarHBondContact O-N 2.9Å; R109-A113 VanDerWaalsContact O-N 3.12Å; A110-A113 PolarHBondContact O-N 3.42Å; A113-E115 VanDerWaalsContact C-N 3.34Å; A113-E115 PolarHBondContact O-N 2.83Å; A113-E116 PolarHBondContact O-N 2.94Å; A113-D117 VanDerWaalsContact O-CG 3.29Å; A113-D117 PolarHBondContact O-N 3.15Å
114	F	89.2	Confident	81.1	Confident	152 Å²	152	119.5 Å²	119.5	67%	0.667	58%	0.575	S	S	*	*	H	α-helix	trans	-65.2	-34.9	176.6	-71.9	-68.2	0	0	0	113.6	A110 R111 K112 E118	A110-F114 WeakPolarHBondContact O-CD2 3.43Å; A110-F114 PolarHBondContact O-N 2.97Å; R111-F114 PolarHBondContact O-N 3.46Å; K112-F114 VanDerWaalsContact C-N 3.33Å; K112-F114 PolarHBondContact O-N 3.42Å; F114-E118 PolarHBondContact O-N 3.23Å
115	E	85.2	Confident	80.3	Confident	122 Å²	122	122.2 Å²	122.2	57%	0.57	58%	0.58	S	S	*	*	H	α-helix	trans	-67.6	-41.6	176.1	-71.8	170.5	-166.5	0	0	111.2	R111 K112 A113 F119	R111-E115 PolarHBondContact O-N 2.96Å; K112-E115 PolarHBondContact O-N 3.05Å; A113-E115 VanDerWaalsContact C-N 3.34Å; A113-E115 PolarHBondContact O-N 2.83Å; E115-F119 WeakPolarHBondContact O-CD2 3.49Å
116	E	77.9	Confident	79.4	Confident	133 Å²	133	124.6 Å²	124.6	62%	0.621	59%	0.592	S	S	*	*	H	α-helix	trans	-67.4	-42.2	178.5	-71	173.7	-168.6	0	0	112.2	K112 A113 E118 F119 D120	K112-E116 PolarHBondContact O-N 3.11Å; K112-E116 VanDerWaalsContact O-N 3.11Å; A113-E116 PolarHBondContact O-N 2.94Å; E116-E118 VanDerWaalsContact C-N 3.34Å; E116-E118 PolarHBondContact O-N 3.01Å; E116-F119 PolarHBondContact O-N 2.89Å; E116-D120 PolarHBondContact O-N 3.27Å
117	D	73.7	Confident	78.5	Confident	97 Å²	97	124.9 Å²	124.9	52%	0.519	59%	0.594	S	S	.	*	H	α-helix	trans	-63.4	-36.1	179.1	-70.6	-26.3	0	0	0	112.4	A113 F119 D120 V121	A113-D117 VanDerWaalsContact O-CG 3.29Å; A113-D117 PolarHBondContact O-N 3.15Å; D117-F119 VanDerWaalsContact C-N 3.28Å; D117-F119 PolarHBondContact O-N 3Å; D117-D120 PolarHBondContact O-N 3.37Å; D117-V121 WeakPolarHBondContact O-CG2 3.32Å; D117-V121 PolarHBondContact O-N 2.74Å
118	E	68.2	Low	77.4	Confident	141 Å²	141	127.3 Å²	127.3	66%	0.659	60%	0.602	S	S	*	*	H	α-helix	trans	-64.7	-31.5	179.4	-166.7	174.6	-176.2	0	0	112.3	F114 E116	F114-E118 PolarHBondContact O-N 3.23Å; E116-E118 VanDerWaalsContact C-N 3.34Å; E116-E118 PolarHBondContact O-N 3.01Å
119	F	61.6	Low	76.2	Confident	153 Å²	153	129.1 Å²	129.1	67%	0.671	62%	0.617	S	S	*	*	H	α-helix	trans	-77.9	-28.7	175.9	-71.3	-72.3	0	0	0	113.5	E115 E116 D117	E115-F119 WeakPolarHBondContact O-CD2 3.49Å; E116-F119 PolarHBondContact O-N 2.89Å; D117-F119 VanDerWaalsContact C-N 3.28Å; D117-F119 PolarHBondContact O-N 3Å
120	D	60.9	Low	74.9	Confident	107 Å²	107	126.4 Å²	126.4	57%	0.572	62%	0.616	S	S	*	*	H	α-helix	trans	-80.2	-20.8	-179.8	-84	-14.8	0	0	0	113.1	E116 D117 L122 K123	E116-D120 PolarHBondContact O-N 3.27Å; D117-D120 PolarHBondContact O-N 3.37Å; D120-L122 VanDerWaalsContact C-N 3.27Å; D120-L122 PolarHBondContact O-N 3.38Å; D120-K123 IonicContact OD1-NZ 3.91Å
121	V	60.3	Low	73.5	Confident	123 Å²	123	132.7 Å²	132.7	75%	0.745	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-12.2	173.2	-175.8	0	0	0	0	112.6	D117	D117-V121 WeakPolarHBondContact O-CG2 3.32Å; D117-V121 PolarHBondContact O-N 2.74Å
122	L	57.6	Low	71.9	Confident	142 Å²	142	129.4 Å²	129.4	74%	0.743	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	17.3	-177.6	-80.7	165.4	0	0	0	115	D120	D120-L122 VanDerWaalsContact C-N 3.27Å; D120-L122 PolarHBondContact O-N 3.38Å
123	K	45.8	Very low	70	Confident	230 Å²	230	131.5 Å²	131.5	100%	1	65%	0.65	S	S	*	*			trans	-113.4	0	170.6	-69.6	177.7	-172.2	149.7	0	111.7	D120	D120-K123 IonicContact OD1-NZ 3.91Å

Retrieved 123 of 123 residues in 36.9 ms (Link to these results)

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