A0A5K4FBJ0_SCHMA Loading...

Enoyl hydratase

AlphaFold DB , UniProt , Accession A0A5K4FBJ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 126 aa.

						>A0A5K4FBJ0_SCHMA|A0A5K4FBJ0
MEENSQGKNNPITKNETVADISNSQVDDNSLISRATKAVRDYLEYDFECLVSDVNILTRMNQASSERYMELTTNTNDMTRKLTDVNNRFASLSDALKKIDQFDKDIEQLEKKAFEIETLTKQLGIL
					

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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	40.1	Very low	38.2	Very low	230 Å²	230	159.1 Å²	159.1	100%	1.133	85%	0.848	S	S	*	*				0	76	0	-83.8	147.3	166.9	0	0	106
2	E	38.9	Very low	38.6	Very low	175 Å²	175	159.5 Å²	159.5	82%	0.818	85%	0.848	S	S	*	*				73.2	91.5	95.6	-82.4	177.3	142.4	0	0	109.6
3	E	33.1	Very low	38.2	Very low	185 Å²	185	155.3 Å²	155.3	86%	0.864	83%	0.832	S	S	*	*				90.2	111	101.2	-82.8	-152.1	158.7	0	0	110.9
4	N	38.8	Very low	38.2	Very low	151 Å²	151	156.6 Å²	156.6	81%	0.807	83%	0.826	S	S	*	*				-176.8	126.3	100.3	-160.1	-4.2	0	0	0	110.6
5	S	41	Very low	37.9	Very low	110 Å²	110	156.3 Å²	156.3	77%	0.769	83%	0.826	S	S	*	*			trans	-101.5	125.1	173.9	-83.9	0	0	0	0	109.2
6	Q	41	Very low	37.9	Very low	196 Å²	196	158 Å²	158	92%	0.916	83%	0.828	S	S	*	*			trans	-176.1	116	147	-104.2	174.5	-13.6	0	0	105.4
7	G	32.5	Very low	38	Very low	72 Å²	72	155.4 Å²	155.4	74%	0.742	82%	0.82	S	S	*	*			cis	104.6	72	35.5	0	0	0	0	0	109.3
8	K	37.8	Very low	38.6	Very low	205 Å²	205	154.8 Å²	154.8	89%	0.891	82%	0.823	S	S	*	*			trans	171.6	91.4	145.1	-96	168.4	-176.3	-178.4	0	110.7
9	N	30.3	Very low	38.9	Very low	167 Å²	167	150.3 Å²	150.3	89%	0.893	81%	0.81	S	S	*	*			trans	-102.6	115.8	153.7	-73.6	-45.9	0	0	0	106.7
10	N	39.8	Very low	39.2	Very low	161 Å²	161	149.4 Å²	149.4	86%	0.861	81%	0.805	S	S	*	*			trans	-156.7	149.7	143.1	-131.6	27.6	0	0	0	110.9
11	P	46.8	Very low	39.9	Very low	98 Å²	98	149 Å²	149	64%	0.636	80%	0.801	S	S	*	*			trans	-94.8	143.9	-155.9	37.1	-33.5	0	0	0	111.9
12	I	42.6	Very low	40.4	Very low	164 Å²	164	143.1 Å²	143.1	84%	0.841	78%	0.782	S	S	*	*			trans	-132.8	94.9	164.6	-64.7	-177.2	0	0	0	105.7
13	T	33.9	Very low	41.2	Very low	105 Å²	105	140.3 Å²	140.3	64%	0.644	77%	0.773	S	S	*	*				87.3	99	87.7	-60	0	0	0	0	110.5
14	K	38.1	Very low	42.2	Very low	173 Å²	173	134.9 Å²	134.9	75%	0.752	76%	0.755	S	S	*	*			trans	57.1	104.5	135.3	-59.4	176.4	-175.3	175.5	0	119.3	E16	K14-E16 PolarHBondContact O-N 3.36Å; K14-E16 VanDerWaalsContact O-N 3.13Å
15	N	33.4	Very low	43	Very low	153 Å²	153	134.7 Å²	134.7	82%	0.818	75%	0.75	S	S	*	*				3.7	91.9	127.6	47.3	-11.3	0	0	0	116.9
16	E	39.1	Very low	43.9	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	74%	0.741	S	S	*	*			trans	-95.3	96	153.9	-100.8	173.9	166.4	0	0	109.1	K14	K14-E16 PolarHBondContact O-N 3.36Å; K14-E16 VanDerWaalsContact O-N 3.13Å
17	T	39.5	Very low	45.4	Very low	114 Å²	114	129 Å²	129	70%	0.699	72%	0.72	S	S	*	*			trans	15.3	105.7	142.3	18.9	0	0	0	0	118	A19	T17-A19 HydrophobicContact CG2-CB 4.08Å; T17-A19 PolarHBondContact O-N 3.29Å
18	V	48.6	Very low	47.6	Very low	145 Å²	145	129.6 Å²	129.6	88%	0.879	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	68.5	151	-175.5	0	0	0	0	108.7
19	A	44.3	Very low	49.9	Very low	68 Å²	68	124.9 Å²	124.9	56%	0.562	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.4	-2.4	179.2	0	0	0	0	0	114.3	T17	T17-A19 HydrophobicContact CG2-CB 4.08Å; T17-A19 PolarHBondContact O-N 3.29Å
20	D	44.8	Very low	52.8	Low	133 Å²	133	119.8 Å²	119.8	71%	0.711	67%	0.669	S	S	*	*			trans	-99.3	10.9	-172.9	-148.5	17	0	0	0	115
21	I	54.5	Low	55.3	Low	142 Å²	142	115.2 Å²	115.2	73%	0.728	64%	0.644	S	S	*	*	S	Bend	trans	-91.3	-7.9	-177.2	-42.4	177.2	0	0	0	112
22	S	50.5	Low	57.5	Low	105 Å²	105	115.4 Å²	115.4	73%	0.734	64%	0.638	S	S	*	*	S	Bend	trans	-96.7	-4.5	-179.2	-64.4	0	0	0	0	114.9
23	N	54	Low	60	Low	116 Å²	116	111.4 Å²	111.4	62%	0.62	63%	0.625	S	S	*	*	S	Bend	trans	-99.6	-17.4	-174.5	-141.5	41.9	0	0	0	114.6
24	S	54.3	Low	62.9	Low	72 Å²	72	114.7 Å²	114.7	50%	0.503	63%	0.626	S	S	.	*	H	α-helix	trans	-73.5	-36.8	-178.5	155.2	0	0	0	0	113.8	V26 D27 D28	S24-V26 VanDerWaalsContact C-N 3.32Å; S24-V26 PolarHBondContact O-N 3.44Å; S24-D27 PolarHBondContact O-N 3.4Å; S24-D28 PolarHBondContact O-N 3.34Å; S24-D28 VanDerWaalsContact O-N 3.17Å
25	Q	55.8	Low	65.7	Low	147 Å²	147	109.1 Å²	109.1	69%	0.687	61%	0.611	S	S	*	*	H	α-helix	trans	-69.9	-26.8	179.8	-95.9	-175.4	-52.6	0	0	113.9	N29	Q25-N29 PolarHBondContact O-N 3.04Å; Q25-N29 PolarHBondContact O-ND2 3.33Å
26	V	59.3	Low	68.7	Low	98 Å²	98	105.7 Å²	105.7	59%	0.594	60%	0.596	S	S	*	*	H	α-helix	trans	-74.7	-35.5	177.3	-179.9	0	0	0	0	110.2	S24 S30	S24-V26 VanDerWaalsContact C-N 3.32Å; S24-V26 PolarHBondContact O-N 3.44Å; V26-S30 WeakPolarHBondContact O-CB 3.33Å; V26-S30 PolarHBondContact O-N 3.16Å; V26-S30 VanDerWaalsContact O-N 3.12Å
27	D	73.3	Confident	71.4	Confident	88 Å²	88	102.6 Å²	102.6	47%	0.471	58%	0.58	S	S	.	*	H	α-helix	trans	-67.4	-49.8	176.2	-168.4	23.8	0	0	0	111.3	S24 N29 S30 L31	S24-D27 PolarHBondContact O-N 3.4Å; D27-N29 PolarHBondContact O-N 3.43Å; D27-S30 CarbonylContact O-C 3.6Å; D27-S30 WeakPolarHBondContact O-CA 3.46Å; D27-S30 WeakPolarHBondContact O-CB 3.39Å; D27-S30 PolarHBondContact O-N 2.96Å; D27-S30 PolarHBondContact O-OG 3.37Å; D27-L31 VanDerWaalsContact O-CG 3.28Å; D27-L31 WeakPolarHBondContact O-CG 3.5Å; D27-L31 PolarHBondContact O-N 2.88Å
28	D	79.5	Confident	74.2	Confident	84 Å²	84	99.9 Å²	99.9	45%	0.449	57%	0.569	S	S	.	*	H	α-helix	trans	-58.3	-45.3	179.4	-73.2	-20.6	0	0	0	112.8	S24 S30 L31 I32	S24-D28 PolarHBondContact O-N 3.34Å; S24-D28 VanDerWaalsContact O-N 3.17Å; D28-S30 VanDerWaalsContact C-N 3.31Å; D28-S30 PolarHBondContact O-N 2.71Å; D28-L31 PolarHBondContact O-N 3.44Å; D28-I32 WeakPolarHBondContact O-CB 3.4Å; D28-I32 WeakPolarHBondContact O-CG1 3.33Å; D28-I32 PolarHBondContact O-N 3.32Å
29	N	86.3	Confident	76.6	Confident	106 Å²	106	97 Å²	97	57%	0.567	55%	0.552	S	S	*	*	H	α-helix	trans	-65.9	-34.3	176.7	-75.5	-30	0	0	0	112.2	Q25 D27 S33	Q25-N29 PolarHBondContact O-N 3.04Å; Q25-N29 PolarHBondContact O-ND2 3.33Å; D27-N29 PolarHBondContact O-N 3.43Å; N29-S33 VanDerWaalsContact O-CB 3.26Å; N29-S33 WeakPolarHBondContact O-CB 3.42Å; N29-S33 PolarHBondContact O-N 3.23Å
30	S	89.3	Confident	79.1	Confident	61 Å²	61	101 Å²	101	43%	0.427	55%	0.552	S	S	.	*	H	α-helix	trans	-69.5	-39.6	175.6	87.1	0	0	0	0	111.9	V26 D27 D28 S33 R34	V26-S30 WeakPolarHBondContact O-CB 3.33Å; V26-S30 PolarHBondContact O-N 3.16Å; V26-S30 VanDerWaalsContact O-N 3.12Å; D27-S30 CarbonylContact O-C 3.6Å; D27-S30 WeakPolarHBondContact O-CA 3.46Å; D27-S30 WeakPolarHBondContact O-CB 3.39Å; D27-S30 PolarHBondContact O-N 2.96Å; D27-S30 PolarHBondContact O-OG 3.37Å; D28-S30 VanDerWaalsContact C-N 3.31Å; D28-S30 PolarHBondContact O-N 2.71Å; S30-S33 PolarHBondContact O-N 2.95Å; S30-R34 WeakPolarHBondContact O-CB 3.4Å; S30-R34 PolarHBondContact O-N 3.36Å
31	L	92.9	Very high	81.7	Confident	65 Å²	65	98.3 Å²	98.3	34%	0.34	54%	0.538	S	S	.	.	H	α-helix	trans	-66.3	-46.2	176.6	-69.7	172	0	0	0	110.7	D27 D28 R34 A35	D27-L31 VanDerWaalsContact O-CG 3.28Å; D27-L31 WeakPolarHBondContact O-CG 3.5Å; D27-L31 PolarHBondContact O-N 2.88Å; D28-L31 PolarHBondContact O-N 3.44Å; L31-R34 VanDerWaalsContact CD2-NH2 3.26Å; L31-R34 PolarHBondContact O-N 3.5Å; L31-A35 WeakPolarHBondContact O-CB 3.4Å; L31-A35 PolarHBondContact O-N 3.01Å
32	I	93.6	Very high	83.8	Confident	102 Å²	102	98.5 Å²	98.5	52%	0.523	53%	0.531	S	S	.	.	H	α-helix	trans	-59.7	-49.8	173.9	-67.5	164.7	0	0	0	109.5	D28 R34 A35 T36	D28-I32 WeakPolarHBondContact O-CB 3.4Å; D28-I32 WeakPolarHBondContact O-CG1 3.33Å; D28-I32 PolarHBondContact O-N 3.32Å; I32-R34 VanDerWaalsContact C-N 3.28Å; I32-R34 PolarHBondContact O-N 2.88Å; I32-A35 PolarHBondContact O-N 3.33Å; I32-T36 WeakPolarHBondContact O-CB 3.46Å; I32-T36 PolarHBondContact O-N 2.69Å; I32-T36 PolarHBondContact O-OG1 2.88Å
33	S	94.9	Very high	86.1	Confident	80 Å²	80	97.8 Å²	97.8	56%	0.559	52%	0.518	S	S	*	.	H	α-helix	trans	-59.1	-38.6	178.2	-176.4	0	0	0	0	112.4	N29 S30 K37	N29-S33 VanDerWaalsContact O-CB 3.26Å; N29-S33 WeakPolarHBondContact O-CB 3.42Å; N29-S33 PolarHBondContact O-N 3.23Å; S30-S33 PolarHBondContact O-N 2.95Å; S33-K37 VanDerWaalsContact O-CB 3.27Å; S33-K37 WeakPolarHBondContact O-CB 3.5Å; S33-K37 PolarHBondContact O-N 3.01Å
34	R	95.5	Very high	88.2	Confident	174 Å²	174	97.6 Å²	97.6	66%	0.657	51%	0.513	S	S	*	.	H	α-helix	trans	-69.8	-43.8	177.2	-174.5	174.6	67.4	-178.3	-0.4	111.6	S30 L31 I32 K37 A38	S30-R34 WeakPolarHBondContact O-CB 3.4Å; S30-R34 PolarHBondContact O-N 3.36Å; L31-R34 VanDerWaalsContact CD2-NH2 3.26Å; L31-R34 PolarHBondContact O-N 3.5Å; I32-R34 VanDerWaalsContact C-N 3.28Å; I32-R34 PolarHBondContact O-N 2.88Å; R34-K37 PolarHBondContact O-N 3.38Å; R34-A38 WeakPolarHBondContact O-CB 3.47Å; R34-A38 PolarHBondContact O-N 3.48Å
35	A	95.6	Very high	90.3	Very high	55 Å²	55	101.7 Å²	101.7	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-46.8	176.7	0	0	0	0	0	111.1	L31 I32 K37 A38 V39	L31-A35 WeakPolarHBondContact O-CB 3.4Å; L31-A35 PolarHBondContact O-N 3.01Å; I32-A35 PolarHBondContact O-N 3.33Å; A35-K37 VanDerWaalsContact C-N 3.31Å; A35-K37 PolarHBondContact O-N 3.27Å; A35-A38 PolarHBondContact O-N 2.92Å; A35-V39 VanDerWaalsContact O-CG2 3.32Å; A35-V39 WeakPolarHBondContact O-CG2 3.27Å; A35-V39 PolarHBondContact O-N 3.49Å
36	T	96.6	Very high	92.3	Very high	81 Å²	81	98.4 Å²	98.4	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-61.2	-39.2	175.2	-56.7	0	0	0	0	111.6	I32 R40	I32-T36 WeakPolarHBondContact O-CB 3.46Å; I32-T36 PolarHBondContact O-N 2.69Å; I32-T36 PolarHBondContact O-OG1 2.88Å; T36-R40 WeakPolarHBondContact O-CB 3.49Å; T36-R40 PolarHBondContact O-N 3.28Å
37	K	97.3	Very high	94.2	Very high	118 Å²	118	100.4 Å²	100.4	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-48.4	173.9	-173.7	179.7	176.9	-176.3	0	111.7	S33 R34 A35 V39 R40 D41	S33-K37 VanDerWaalsContact O-CB 3.27Å; S33-K37 WeakPolarHBondContact O-CB 3.5Å; S33-K37 PolarHBondContact O-N 3.01Å; R34-K37 PolarHBondContact O-N 3.38Å; A35-K37 VanDerWaalsContact C-N 3.31Å; A35-K37 PolarHBondContact O-N 3.27Å; K37-V39 VanDerWaalsContact C-N 3.31Å; K37-V39 PolarHBondContact O-N 3.48Å; K37-R40 WeakPolarHBondContact O-CB 3.48Å; K37-R40 PolarHBondContact O-N 3.25Å; K37-R40 VanDerWaalsContact O-N 3.13Å; K37-D41 VanDerWaalsContact O-CG 3.22Å; K37-D41 PolarHBondContact O-N 3.26Å
38	A	97.5	Very high	95.3	Very high	58 Å²	58	102.2 Å²	102.2	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-60.3	-40.7	179	0	0	0	0	0	112.4	R34 A35 Y42	R34-A38 WeakPolarHBondContact O-CB 3.47Å; R34-A38 PolarHBondContact O-N 3.48Å; A35-A38 PolarHBondContact O-N 2.92Å; A38-Y42 WeakPolarHBondContact O-CB 3.47Å; A38-Y42 PolarHBondContact O-N 3.42Å
39	V	98.3	Very high	96.2	Very high	85 Å²	85	100.7 Å²	100.7	52%	0.515	51%	0.508	S	S	.	.	H	α-helix	trans	-64.6	-42.1	174.9	170.9	0	0	0	0	111.1	A35 K37 Y42 L43	A35-V39 VanDerWaalsContact O-CG2 3.32Å; A35-V39 WeakPolarHBondContact O-CG2 3.27Å; A35-V39 PolarHBondContact O-N 3.49Å; K37-V39 VanDerWaalsContact C-N 3.31Å; K37-V39 PolarHBondContact O-N 3.48Å; V39-Y42 PolarHBondContact O-N 2.95Å; V39-L43 HydrophobicContact CG1-CD1 3.9Å; V39-L43 HydrophobicContact CG1-CG 4.36Å; V39-L43 WeakPolarHBondContact O-CB 3.49Å; V39-L43 VanDerWaalsContact O-CG 3.29Å; V39-L43 WeakPolarHBondContact O-CG 3.43Å; V39-L43 PolarHBondContact O-N 3.4Å
40	R	98.3	Very high	96.8	Very high	151 Å²	151	100 Å²	100	57%	0.57	50%	0.504	S	S	*	.	H	α-helix	trans	-61	-51.5	175.8	-174.3	-149.6	-41.3	-132	-1	111.4	T36 K37 Y42 L43 E44	T36-R40 WeakPolarHBondContact O-CB 3.49Å; T36-R40 PolarHBondContact O-N 3.28Å; K37-R40 WeakPolarHBondContact O-CB 3.48Å; K37-R40 PolarHBondContact O-N 3.25Å; K37-R40 VanDerWaalsContact O-N 3.13Å; R40-Y42 VanDerWaalsContact C-N 3.28Å; R40-Y42 PolarHBondContact O-N 3.41Å; R40-L43 PolarHBondContact O-N 2.85Å; R40-E44 WeakPolarHBondContact O-CB 3.41Å; R40-E44 PolarHBondContact O-N 2.96Å
41	D	98.1	Very high	97.2	Very high	77 Å²	77	100.6 Å²	100.6	41%	0.412	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-39.4	-177.8	-62.6	-6	0	0	0	110.4	K37 Y45	K37-D41 VanDerWaalsContact O-CG 3.22Å; K37-D41 PolarHBondContact O-N 3.26Å; D41-Y45 WeakPolarHBondContact O-CB 3.39Å; D41-Y45 PolarHBondContact O-N 3.27Å; D41-Y45 VanDerWaalsContact O-N 3.13Å
42	Y	98.5	Very high	97.5	Very high	145 Å²	145	100.3 Å²	100.3	57%	0.569	51%	0.508	S	S	*	.	H	α-helix	trans	-62.9	-50.2	173.1	172.4	-92.5	0	0	0	112.3	A38 V39 R40 E44 Y45 D46	A38-Y42 WeakPolarHBondContact O-CB 3.47Å; A38-Y42 PolarHBondContact O-N 3.42Å; V39-Y42 PolarHBondContact O-N 2.95Å; R40-Y42 VanDerWaalsContact C-N 3.28Å; R40-Y42 PolarHBondContact O-N 3.41Å; Y42-E44 VanDerWaalsContact C-N 3.3Å; Y42-E44 PolarHBondContact O-N 3.19Å; Y42-Y45 PolarHBondContact O-N 3.02Å; Y42-D46 HydrophobicContact CE1-CB 4.37Å; Y42-D46 WeakPolarHBondContact O-CB 3.49Å; Y42-D46 PolarHBondContact O-N 3.02Å
43	L	98.4	Very high	97.7	Very high	91 Å²	91	99.4 Å²	99.4	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-64.9	-36.7	-178.1	-74.3	175.2	0	0	0	111.9	V39 R40 D46 F47	V39-L43 HydrophobicContact CG1-CD1 3.9Å; V39-L43 HydrophobicContact CG1-CG 4.36Å; V39-L43 WeakPolarHBondContact O-CB 3.49Å; V39-L43 VanDerWaalsContact O-CG 3.29Å; V39-L43 WeakPolarHBondContact O-CG 3.43Å; V39-L43 PolarHBondContact O-N 3.4Å; R40-L43 PolarHBondContact O-N 2.85Å; L43-D46 PolarHBondContact O-N 3.03Å; L43-F47 WeakPolarHBondContact O-CB 3.47Å; L43-F47 PolarHBondContact O-N 3.41Å
44	E	98.3	Very high	97.9	Very high	111 Å²	111	99 Å²	99	52%	0.519	50%	0.499	S	S	.	.	H	α-helix	trans	-63.4	-48.4	176.2	-173.6	159.7	-165.8	0	0	110.8	R40 Y42 D46 F47 E48	R40-E44 WeakPolarHBondContact O-CB 3.41Å; R40-E44 PolarHBondContact O-N 2.96Å; Y42-E44 VanDerWaalsContact C-N 3.3Å; Y42-E44 PolarHBondContact O-N 3.19Å; E44-D46 PolarHBondContact O-N 2.87Å; E44-F47 PolarHBondContact O-N 2.96Å; E44-E48 WeakPolarHBondContact O-CG 3.45Å; E44-E48 PolarHBondContact O-N 3.41Å
45	Y	98.3	Very high	98.1	Very high	159 Å²	159	95.2 Å²	95.2	62%	0.624	49%	0.491	S	S	*	.	H	α-helix	trans	-59.8	-44.7	174.4	177.2	-95.4	0	0	0	112.7	D41 Y42 F47 E48 C49	D41-Y45 WeakPolarHBondContact O-CB 3.39Å; D41-Y45 PolarHBondContact O-N 3.27Å; D41-Y45 VanDerWaalsContact O-N 3.13Å; Y42-Y45 PolarHBondContact O-N 3.02Å; Y45-F47 VanDerWaalsContact C-N 3.33Å; Y45-F47 PolarHBondContact O-N 2.85Å; Y45-E48 PolarHBondContact O-N 3.33Å; Y45-C49 WeakPolarHBondContact O-CB 3.48Å; Y45-C49 PolarHBondContact O-N 2.95Å
46	D	98.3	Very high	98.2	Very high	77 Å²	77	97.2 Å²	97.2	41%	0.412	49%	0.493	S	S	.	.	H	α-helix	trans	-64.6	-38.7	179.3	-164.5	50.2	0	0	0	111.4	Y42 L43 E44 C49 L50	Y42-D46 HydrophobicContact CE1-CB 4.37Å; Y42-D46 WeakPolarHBondContact O-CB 3.49Å; Y42-D46 PolarHBondContact O-N 3.02Å; L43-D46 PolarHBondContact O-N 3.03Å; E44-D46 PolarHBondContact O-N 2.87Å; D46-C49 PolarHBondContact O-N 3.24Å; D46-L50 WeakPolarHBondContact O-CB 3.41Å; D46-L50 PolarHBondContact O-N 3.44Å
47	F	98.4	Very high	98.3	Very high	141 Å²	141	97.8 Å²	97.8	62%	0.618	49%	0.493	S	S	*	.	H	α-helix	trans	-66.1	-43	174.6	-124	-81.2	0	0	0	112.4	L43 E44 Y45 C49 L50 V51	L43-F47 WeakPolarHBondContact O-CB 3.47Å; L43-F47 PolarHBondContact O-N 3.41Å; E44-F47 PolarHBondContact O-N 2.96Å; Y45-F47 VanDerWaalsContact C-N 3.33Å; Y45-F47 PolarHBondContact O-N 2.85Å; F47-C49 VanDerWaalsContact C-N 3.32Å; F47-C49 PolarHBondContact O-N 2.97Å; F47-L50 PolarHBondContact O-N 3.05Å; F47-V51 HydrophobicContact CD1-CG2 4.29Å; F47-V51 WeakPolarHBondContact O-CB 3.49Å; F47-V51 VanDerWaalsContact O-CG2 3.29Å; F47-V51 WeakPolarHBondContact O-CG2 3.47Å; F47-V51 PolarHBondContact O-N 3.02Å
48	E	98.4	Very high	98.3	Very high	126 Å²	126	96 Å²	96	59%	0.589	49%	0.492	S	S	*	.	H	α-helix	trans	-61.2	-43	175.8	-74.9	-175.9	165.6	0	0	111.3	E44 Y45 V51 S52	E44-E48 WeakPolarHBondContact O-CG 3.45Å; E44-E48 PolarHBondContact O-N 3.41Å; Y45-E48 PolarHBondContact O-N 3.33Å; E48-V51 PolarHBondContact O-N 2.87Å; E48-S52 PolarHBondContact O-N 3.17Å
49	C	98.1	Very high	98.4	Very high	52 Å²	52	102.3 Å²	102.3	35%	0.351	50%	0.503	S	S	.	.	H	α-helix	trans	-60.7	-48	174.7	-164.3	0	0	0	0	111.1	Y45 D46 F47 V51 S52 D53	Y45-C49 WeakPolarHBondContact O-CB 3.48Å; Y45-C49 PolarHBondContact O-N 2.95Å; D46-C49 PolarHBondContact O-N 3.24Å; F47-C49 VanDerWaalsContact C-N 3.32Å; F47-C49 PolarHBondContact O-N 2.97Å; C49-V51 PolarHBondContact O-N 3.49Å; C49-S52 WeakPolarHBondContact O-CB 3.41Å; C49-S52 PolarHBondContact O-N 3.13Å; C49-S52 VanDerWaalsContact O-N 3.14Å; C49-D53 PolarHBondContact O-N 3.17Å
50	L	98.4	Very high	98.4	Very high	91 Å²	91	103.6 Å²	103.6	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-60.6	-42.8	178.2	-179	63.4	0	0	0	112.3	D46 F47 S52 D53 V54	D46-L50 WeakPolarHBondContact O-CB 3.41Å; D46-L50 PolarHBondContact O-N 3.44Å; F47-L50 PolarHBondContact O-N 3.05Å; L50-S52 VanDerWaalsContact C-N 3.31Å; L50-S52 PolarHBondContact O-N 3.06Å; L50-D53 PolarHBondContact O-N 3Å; L50-V54 HydrophobicContact CD1-CG2 4.44Å; L50-V54 WeakPolarHBondContact O-CG2 3.38Å; L50-V54 PolarHBondContact O-N 3.5Å
51	V	98.3	Very high	98.4	Very high	74 Å²	74	101.2 Å²	101.2	45%	0.448	50%	0.504	S	S	.	.	H	α-helix	trans	-63.4	-39.8	176.6	169.1	0	0	0	0	110.9	F47 E48 C49 N55	F47-V51 HydrophobicContact CD1-CG2 4.29Å; F47-V51 WeakPolarHBondContact O-CB 3.49Å; F47-V51 VanDerWaalsContact O-CG2 3.29Å; F47-V51 WeakPolarHBondContact O-CG2 3.47Å; F47-V51 PolarHBondContact O-N 3.02Å; E48-V51 PolarHBondContact O-N 2.87Å; C49-V51 PolarHBondContact O-N 3.49Å; V51-N55 WeakPolarHBondContact O-CB 3.5Å; V51-N55 PolarHBondContact O-N 3.49Å; V51-N55 PolarHBondContact O-ND2 3.1Å; V51-N55 VanDerWaalsContact O-ND2 3.09Å
52	S	98.3	Very high	98.4	Very high	59 Å²	59	103 Å²	103	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-60.7	-48	174	179.4	0	0	0	0	111.5	E48 C49 L50 V54 N55 I56	E48-S52 PolarHBondContact O-N 3.17Å; C49-S52 WeakPolarHBondContact O-CB 3.41Å; C49-S52 PolarHBondContact O-N 3.13Å; C49-S52 VanDerWaalsContact O-N 3.14Å; L50-S52 VanDerWaalsContact C-N 3.31Å; L50-S52 PolarHBondContact O-N 3.06Å; S52-V54 PolarHBondContact O-N 2.93Å; S52-N55 PolarHBondContact O-N 3.45Å; S52-I56 WeakPolarHBondContact O-CG1 3.45Å; S52-I56 PolarHBondContact O-N 3.42Å
53	D	98.6	Very high	98.4	Very high	83 Å²	83	98.4 Å²	98.4	44%	0.444	50%	0.502	S	S	.	.	H	α-helix	trans	-62.2	-43.3	179.5	-75.6	-11.6	0	0	0	112.2	C49 L50 N55 I56 L57	C49-D53 PolarHBondContact O-N 3.17Å; L50-D53 PolarHBondContact O-N 3Å; D53-N55 VanDerWaalsContact C-N 3.35Å; D53-N55 PolarHBondContact O-N 2.96Å; D53-I56 PolarHBondContact O-N 2.86Å; D53-L57 WeakPolarHBondContact O-CB 3.32Å; D53-L57 WeakPolarHBondContact O-CG 3.22Å; D53-L57 PolarHBondContact O-N 3.46Å
54	V	98.7	Very high	98.4	Very high	72 Å²	72	96.5 Å²	96.5	44%	0.436	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-44.8	175.3	170.1	0	0	0	0	110.8	L50 S52 I56 L57 T58	L50-V54 HydrophobicContact CD1-CG2 4.44Å; L50-V54 WeakPolarHBondContact O-CG2 3.38Å; L50-V54 PolarHBondContact O-N 3.5Å; S52-V54 PolarHBondContact O-N 2.93Å; V54-I56 VanDerWaalsContact C-N 3.32Å; V54-I56 PolarHBondContact O-N 2.71Å; V54-L57 PolarHBondContact O-N 3.47Å; V54-T58 PolarHBondContact O-N 3.23Å; V54-T58 PolarHBondContact O-OG1 3.38Å; V54-T58 VanDerWaalsContact O-OG1 3.05Å
55	N	98.5	Very high	98.4	Very high	93 Å²	93	94.5 Å²	94.5	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-61.3	-40.5	177.6	-79.8	-38.9	0	0	0	112.3	V51 S52 D53 T58 R59	V51-N55 WeakPolarHBondContact O-CB 3.5Å; V51-N55 PolarHBondContact O-N 3.49Å; V51-N55 PolarHBondContact O-ND2 3.1Å; V51-N55 VanDerWaalsContact O-ND2 3.09Å; S52-N55 PolarHBondContact O-N 3.45Å; D53-N55 VanDerWaalsContact C-N 3.35Å; D53-N55 PolarHBondContact O-N 2.96Å; N55-T58 PolarHBondContact O-N 3.25Å; N55-R59 VanDerWaalsContact O-CG 3.31Å; N55-R59 WeakPolarHBondContact O-CG 3.37Å; N55-R59 PolarHBondContact O-N 3.27Å
56	I	98.5	Very high	98.4	Very high	98 Å²	98	92.3 Å²	92.3	50%	0.503	49%	0.49	S	S	.	.	H	α-helix	trans	-64.1	-47.5	175.6	-68.1	166.7	0	0	0	110.2	S52 D53 V54 T58 R59 M60	S52-I56 WeakPolarHBondContact O-CG1 3.45Å; S52-I56 PolarHBondContact O-N 3.42Å; D53-I56 PolarHBondContact O-N 2.86Å; V54-I56 VanDerWaalsContact C-N 3.32Å; V54-I56 PolarHBondContact O-N 2.71Å; I56-T58 VanDerWaalsContact C-N 3.33Å; I56-T58 PolarHBondContact O-N 3.22Å; I56-R59 PolarHBondContact O-N 3.33Å; I56-M60 WeakPolarHBondContact O-CB 3.45Å; I56-M60 PolarHBondContact O-N 2.91Å
57	L	98.6	Very high	98.4	Very high	92 Å²	92	96.6 Å²	96.6	48%	0.482	50%	0.5	S	S	.	.	H	α-helix	trans	-59.6	-42.7	177.7	-79.4	167.3	0	0	0	112	D53 V54 R59 M60 N61	D53-L57 WeakPolarHBondContact O-CB 3.32Å; D53-L57 WeakPolarHBondContact O-CG 3.22Å; D53-L57 PolarHBondContact O-N 3.46Å; V54-L57 PolarHBondContact O-N 3.47Å; L57-R59 PolarHBondContact O-N 3.41Å; L57-M60 HydrophobicContact CD2-CE 4.12Å; L57-M60 PolarHBondContact O-N 3.32Å; L57-N61 WeakPolarHBondContact O-CB 3.49Å; L57-N61 PolarHBondContact O-N 3.38Å
58	T	98.5	Very high	98.5	Very high	81 Å²	81	97.2 Å²	97.2	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-46.5	175.7	-61.6	0	0	0	0	111.2	V54 N55 I56 M60 N61 Q62	V54-T58 PolarHBondContact O-N 3.23Å; V54-T58 PolarHBondContact O-OG1 3.38Å; V54-T58 VanDerWaalsContact O-OG1 3.05Å; N55-T58 PolarHBondContact O-N 3.25Å; I56-T58 VanDerWaalsContact C-N 3.33Å; I56-T58 PolarHBondContact O-N 3.22Å; T58-M60 PolarHBondContact O-N 3.43Å; T58-N61 PolarHBondContact O-N 2.93Å; T58-Q62 PolarHBondContact O-N 2.9Å
59	R	98.4	Very high	98.5	Very high	190 Å²	190	96.8 Å²	96.8	72%	0.717	50%	0.499	S	S	*	.	H	α-helix	trans	-64.5	-40.4	177.9	-71.5	175	66.3	171.1	1.3	112.3	N55 I56 L57 Q62 A63	N55-R59 VanDerWaalsContact O-CG 3.31Å; N55-R59 WeakPolarHBondContact O-CG 3.37Å; N55-R59 PolarHBondContact O-N 3.27Å; I56-R59 PolarHBondContact O-N 3.33Å; L57-R59 PolarHBondContact O-N 3.41Å; R59-Q62 PolarHBondContact O-N 3.01Å; R59-A63 WeakPolarHBondContact O-CB 3.43Å; R59-A63 PolarHBondContact O-N 3.29Å
60	M	98.6	Very high	98.5	Very high	113 Å²	113	99.5 Å²	99.5	56%	0.557	51%	0.506	S	S	*	.	H	α-helix	trans	-65.2	-42.7	177.1	-170	179.8	75.1	0	0	111.2	I56 L57 T58 Q62 A63 S64	I56-M60 WeakPolarHBondContact O-CB 3.45Å; I56-M60 PolarHBondContact O-N 2.91Å; L57-M60 HydrophobicContact CD2-CE 4.12Å; L57-M60 PolarHBondContact O-N 3.32Å; T58-M60 PolarHBondContact O-N 3.43Å; M60-Q62 VanDerWaalsContact C-N 3.35Å; M60-Q62 PolarHBondContact O-N 3.2Å; M60-A63 PolarHBondContact O-N 2.88Å; M60-S64 VanDerWaalsContact O-CB 3.28Å; M60-S64 WeakPolarHBondContact O-CB 3.33Å; M60-S64 PolarHBondContact O-N 3.04Å
61	N	98.4	Very high	98.5	Very high	101 Å²	101	99.8 Å²	99.8	54%	0.54	51%	0.508	S	S	.	.	H	α-helix	trans	-63.4	-40.9	175.8	-78.4	-12.3	0	0	0	111.9	L57 T58 S64 S65	L57-N61 WeakPolarHBondContact O-CB 3.49Å; L57-N61 PolarHBondContact O-N 3.38Å; T58-N61 PolarHBondContact O-N 2.93Å; N61-S64 PolarHBondContact O-N 2.93Å; N61-S65 WeakPolarHBondContact O-CB 3.5Å; N61-S65 PolarHBondContact O-N 3.07Å
62	Q	98.5	Very high	98.5	Very high	114 Å²	114	99.6 Å²	99.6	53%	0.533	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-51.5	174.1	-177.4	-178.6	-16.1	0	0	111.1	T58 R59 M60 S64 S65 E66	T58-Q62 PolarHBondContact O-N 2.9Å; R59-Q62 PolarHBondContact O-N 3.01Å; M60-Q62 VanDerWaalsContact C-N 3.35Å; M60-Q62 PolarHBondContact O-N 3.2Å; Q62-S64 VanDerWaalsContact C-N 3.29Å; Q62-S64 PolarHBondContact O-N 2.94Å; Q62-S65 WeakPolarHBondContact O-CB 3.5Å; Q62-S65 PolarHBondContact O-N 3.27Å; Q62-S65 VanDerWaalsContact O-N 3.16Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.38Å; Q62-E66 PolarHBondContact NE2-OE1 3.14Å; Q62-E66 WeakPolarHBondContact O-CG 3.45Å; Q62-E66 PolarHBondContact O-N 3.26Å
63	A	98.3	Very high	98.5	Very high	49 Å²	49	100.4 Å²	100.4	41%	0.405	51%	0.51	S	S	.	.	H	α-helix	trans	-60.2	-39.8	178.8	0	0	0	0	0	112.2	R59 M60 E66 R67	R59-A63 WeakPolarHBondContact O-CB 3.43Å; R59-A63 PolarHBondContact O-N 3.29Å; M60-A63 PolarHBondContact O-N 2.88Å; A63-E66 PolarHBondContact O-N 3.01Å; A63-R67 VanDerWaalsContact O-CG 3.32Å; A63-R67 WeakPolarHBondContact O-CG 3.41Å; A63-R67 PolarHBondContact O-N 3.28Å
64	S	98.5	Very high	98.5	Very high	50 Å²	50	101 Å²	101	35%	0.35	51%	0.512	S	S	.	.	H	α-helix	trans	-63.3	-45.1	175.5	-172.2	0	0	0	0	111.5	M60 N61 Q62 E66 R67 Y68	M60-S64 VanDerWaalsContact O-CB 3.28Å; M60-S64 WeakPolarHBondContact O-CB 3.33Å; M60-S64 PolarHBondContact O-N 3.04Å; N61-S64 PolarHBondContact O-N 2.93Å; Q62-S64 VanDerWaalsContact C-N 3.29Å; Q62-S64 PolarHBondContact O-N 2.94Å; S64-E66 PolarHBondContact O-N 3.43Å; S64-R67 PolarHBondContact O-N 2.93Å; S64-Y68 WeakPolarHBondContact O-CD2 3.41Å; S64-Y68 PolarHBondContact O-N 3.17Å; S64-Y68 WeakPolarHBondContact OG-CE2 3.4Å
65	S	98.5	Very high	98.5	Very high	70 Å²	70	100.9 Å²	100.9	49%	0.49	51%	0.512	S	S	.	.	H	α-helix	trans	-60.9	-45.4	176.9	-174.5	0	0	0	0	112.1	N61 Q62 R67 Y68 M69	N61-S65 WeakPolarHBondContact O-CB 3.5Å; N61-S65 PolarHBondContact O-N 3.07Å; Q62-S65 WeakPolarHBondContact O-CB 3.5Å; Q62-S65 PolarHBondContact O-N 3.27Å; Q62-S65 VanDerWaalsContact O-N 3.16Å; S65-R67 VanDerWaalsContact C-N 3.31Å; S65-R67 PolarHBondContact O-N 2.95Å; S65-Y68 PolarHBondContact O-N 3.38Å; S65-M69 WeakPolarHBondContact O-CG 3.5Å; S65-M69 PolarHBondContact O-N 3.34Å
66	E	98.6	Very high	98.5	Very high	112 Å²	112	100.6 Å²	100.6	52%	0.523	51%	0.511	S	S	.	.	H	α-helix	trans	-58.6	-43.1	174.9	-71.8	171.4	-167.2	0	0	111.4	Q62 A63 S64 M69 E70	Q62-E66 WeakPolarHBondContact CG-OE1 3.38Å; Q62-E66 PolarHBondContact NE2-OE1 3.14Å; Q62-E66 WeakPolarHBondContact O-CG 3.45Å; Q62-E66 PolarHBondContact O-N 3.26Å; A63-E66 PolarHBondContact O-N 3.01Å; S64-E66 PolarHBondContact O-N 3.43Å; E66-M69 PolarHBondContact O-N 3.49Å; E66-E70 PolarHBondContact O-N 3.45Å
67	R	98.4	Very high	98.4	Very high	168 Å²	168	99.1 Å²	99.1	63%	0.634	50%	0.504	S	S	*	.	H	α-helix	trans	-65.2	-40	176.3	-72.2	-61	-174.4	-163.3	-0.1	113.4	A63 S64 S65 M69 E70 L71	A63-R67 VanDerWaalsContact O-CG 3.32Å; A63-R67 WeakPolarHBondContact O-CG 3.41Å; A63-R67 PolarHBondContact O-N 3.28Å; S64-R67 PolarHBondContact O-N 2.93Å; S65-R67 VanDerWaalsContact C-N 3.31Å; S65-R67 PolarHBondContact O-N 2.95Å; R67-M69 VanDerWaalsContact C-N 3.3Å; R67-M69 PolarHBondContact O-N 3.43Å; R67-E70 IonicContact CZ-OE2 3.88Å; R67-E70 IonicContact NH1-OE1 2.86Å; R67-E70 IonicContact NH1-OE2 3.76Å; R67-E70 PolarHBondContact NH1-OE2 3.3Å; R67-E70 PolarHBondContact O-N 3.04Å; R67-L71 WeakPolarHBondContact O-CB 3.44Å; R67-L71 PolarHBondContact O-N 2.88Å
68	Y	98.7	Very high	98.4	Very high	153 Å²	153	99.8 Å²	99.8	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-64.8	-36	175.2	-80.4	-63.4	0	0	0	112.3	S64 S65 T72	S64-Y68 WeakPolarHBondContact O-CD2 3.41Å; S64-Y68 PolarHBondContact O-N 3.17Å; S64-Y68 WeakPolarHBondContact OG-CE2 3.4Å; S65-Y68 PolarHBondContact O-N 3.38Å; Y68-T72 VanDerWaalsContact O-CB 3.28Å; Y68-T72 WeakPolarHBondContact O-CB 3.43Å; Y68-T72 PolarHBondContact O-N 3.01Å; Y68-T72 PolarHBondContact O-OG1 3.26Å
69	M	98.4	Very high	98.4	Very high	118 Å²	118	99.3 Å²	99.3	58%	0.581	50%	0.503	S	S	*	.	H	α-helix	trans	-66.7	-44.3	175.1	-74.3	-59.2	-57.8	0	0	112.3	S65 E66 R67 T72 T73	S65-M69 WeakPolarHBondContact O-CG 3.5Å; S65-M69 PolarHBondContact O-N 3.34Å; E66-M69 PolarHBondContact O-N 3.49Å; R67-M69 VanDerWaalsContact C-N 3.3Å; R67-M69 PolarHBondContact O-N 3.43Å; M69-T72 PolarHBondContact O-N 2.94Å; M69-T73 WeakPolarHBondContact O-CB 3.44Å; M69-T73 PolarHBondContact O-N 3.25Å; M69-T73 PolarHBondContact O-OG1 2.85Å
70	E	98.2	Very high	98.4	Very high	109 Å²	109	98.6 Å²	98.6	51%	0.509	50%	0.5	S	S	.	.	H	α-helix	trans	-62.2	-46.7	175.2	-174.5	-177	-172.9	0	0	111.3	E66 R67 T72 T73 N74	E66-E70 PolarHBondContact O-N 3.45Å; R67-E70 IonicContact CZ-OE2 3.88Å; R67-E70 IonicContact NH1-OE1 2.86Å; R67-E70 IonicContact NH1-OE2 3.76Å; R67-E70 PolarHBondContact NH1-OE2 3.3Å; R67-E70 PolarHBondContact O-N 3.04Å; E70-T72 VanDerWaalsContact C-N 3.33Å; E70-T72 PolarHBondContact O-N 2.94Å; E70-T73 WeakPolarHBondContact O-CB 3.49Å; E70-T73 PolarHBondContact O-N 3.46Å; E70-N74 WeakPolarHBondContact O-CB 3.42Å; E70-N74 PolarHBondContact O-N 3.42Å
71	L	98.5	Very high	98.4	Very high	96 Å²	96	100.2 Å²	100.2	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-60.1	-45.4	178.1	-179.4	59.8	0	0	0	111.1	R67 T73 N74 T75	R67-L71 WeakPolarHBondContact O-CB 3.44Å; R67-L71 PolarHBondContact O-N 2.88Å; L71-T73 VanDerWaalsContact C-N 3.31Å; L71-T73 PolarHBondContact O-N 3.23Å; L71-N74 PolarHBondContact O-N 3.37Å; L71-T75 WeakPolarHBondContact O-CB 3.28Å; L71-T75 PolarHBondContact O-N 2.89Å; L71-T75 PolarHBondContact O-OG1 2.86Å; L71-T75 VanDerWaalsContact O-OG1 3.04Å
72	T	98.5	Very high	98.4	Very high	71 Å²	71	100.8 Å²	100.8	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-60.7	-42.1	177.8	-63.6	0	0	0	0	111.3	Y68 M69 E70 T75 N76	Y68-T72 VanDerWaalsContact O-CB 3.28Å; Y68-T72 WeakPolarHBondContact O-CB 3.43Å; Y68-T72 PolarHBondContact O-N 3.01Å; Y68-T72 PolarHBondContact O-OG1 3.26Å; M69-T72 PolarHBondContact O-N 2.94Å; E70-T72 VanDerWaalsContact C-N 3.33Å; E70-T72 PolarHBondContact O-N 2.94Å; T72-T75 PolarHBondContact O-N 3.23Å; T72-N76 WeakPolarHBondContact O-CB 3.14Å; T72-N76 VanDerWaalsContact O-CG 3.24Å; T72-N76 PolarHBondContact O-N 2.98Å; T72-N76 PolarHBondContact O-ND2 3Å
73	T	98.2	Very high	98.4	Very high	76 Å²	76	98.9 Å²	98.9	47%	0.466	50%	0.503	S	S	.	.	H	α-helix	trans	-62.4	-48.7	176.3	-56.9	0	0	0	0	111	M69 E70 L71 T75 N76 D77	M69-T73 WeakPolarHBondContact O-CB 3.44Å; M69-T73 PolarHBondContact O-N 3.25Å; M69-T73 PolarHBondContact O-OG1 2.85Å; E70-T73 WeakPolarHBondContact O-CB 3.49Å; E70-T73 PolarHBondContact O-N 3.46Å; L71-T73 VanDerWaalsContact C-N 3.31Å; L71-T73 PolarHBondContact O-N 3.23Å; T73-T75 PolarHBondContact O-N 3.48Å; T73-N76 PolarHBondContact O-N 2.89Å; T73-D77 PolarHBondContact O-N 3.4Å
74	N	98.3	Very high	98.4	Very high	94 Å²	94	100.7 Å²	100.7	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-62.7	-42.3	178.4	-172.8	8.8	0	0	0	112.2	E70 L71 N76 D77 M78	E70-N74 WeakPolarHBondContact O-CB 3.42Å; E70-N74 PolarHBondContact O-N 3.42Å; L71-N74 PolarHBondContact O-N 3.37Å; N74-N76 VanDerWaalsContact C-N 3.34Å; N74-N76 PolarHBondContact O-N 3.22Å; N74-D77 PolarHBondContact O-N 3.43Å; N74-M78 WeakPolarHBondContact O-CB 3.33Å; N74-M78 PolarHBondContact O-N 3.27Å
75	T	98.4	Very high	98.4	Very high	71 Å²	71	101.3 Å²	101.3	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-40	175.8	-63.7	0	0	0	0	111.8	L71 T72 T73 M78 T79	L71-T75 WeakPolarHBondContact O-CB 3.28Å; L71-T75 PolarHBondContact O-N 2.89Å; L71-T75 PolarHBondContact O-OG1 2.86Å; L71-T75 VanDerWaalsContact O-OG1 3.04Å; T72-T75 PolarHBondContact O-N 3.23Å; T73-T75 PolarHBondContact O-N 3.48Å; T75-M78 PolarHBondContact O-N 2.9Å; T75-T79 WeakPolarHBondContact O-CB 3.36Å; T75-T79 PolarHBondContact O-N 2.99Å; T75-T79 PolarHBondContact O-OG1 3.32Å
76	N	98.5	Very high	98.4	Very high	86 Å²	86	103 Å²	103	46%	0.46	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-42.7	175.2	-75	-27.5	0	0	0	111.9	T72 T73 N74 T79 R80	T72-N76 WeakPolarHBondContact O-CB 3.14Å; T72-N76 VanDerWaalsContact O-CG 3.24Å; T72-N76 PolarHBondContact O-N 2.98Å; T72-N76 PolarHBondContact O-ND2 3Å; T73-N76 PolarHBondContact O-N 2.89Å; N74-N76 VanDerWaalsContact C-N 3.34Å; N74-N76 PolarHBondContact O-N 3.22Å; N76-T79 WeakPolarHBondContact O-CB 3.49Å; N76-T79 PolarHBondContact O-N 2.77Å; N76-R80 WeakPolarHBondContact O-CG 3.32Å; N76-R80 PolarHBondContact O-N 2.88Å
77	D	98.3	Very high	98.3	Very high	67 Å²	67	102 Å²	102	36%	0.358	51%	0.509	S	S	.	.	H	α-helix	trans	-65.6	-40.6	176.6	-75.2	-16.7	0	0	0	112.2	T73 N74 T79 R80 K81	T73-D77 PolarHBondContact O-N 3.4Å; N74-D77 PolarHBondContact O-N 3.43Å; D77-T79 VanDerWaalsContact C-N 3.34Å; D77-R80 PolarHBondContact O-N 2.98Å; D77-R80 IonicContact OD1-NH1 2.69Å; D77-K81 WeakPolarHBondContact O-CG 3.35Å; D77-K81 PolarHBondContact O-N 3.48Å
78	M	98.4	Very high	98.3	Very high	106 Å²	106	101.9 Å²	101.9	52%	0.522	51%	0.508	S	S	.	.	H	α-helix	trans	-62.8	-42.4	174.1	-172.8	176.2	-66.8	0	0	111.4	N74 T75 R80 K81 L82	N74-M78 WeakPolarHBondContact O-CB 3.33Å; N74-M78 PolarHBondContact O-N 3.27Å; T75-M78 PolarHBondContact O-N 2.9Å; M78-R80 PolarHBondContact O-N 3.41Å; M78-K81 PolarHBondContact O-N 3.45Å; M78-L82 HydrophobicContact CG-CD1 4.26Å; M78-L82 WeakPolarHBondContact O-CG 3.28Å; M78-L82 PolarHBondContact O-N 3.21Å
79	T	98.5	Very high	98.3	Very high	72 Å²	72	100.9 Å²	100.9	44%	0.442	51%	0.507	S	S	.	.	H	α-helix	trans	-59.7	-47	176.5	-58.7	0	0	0	0	110.7	T75 N76 D77 K81 L82 T83	T75-T79 WeakPolarHBondContact O-CB 3.36Å; T75-T79 PolarHBondContact O-N 2.99Å; T75-T79 PolarHBondContact O-OG1 3.32Å; N76-T79 WeakPolarHBondContact O-CB 3.49Å; N76-T79 PolarHBondContact O-N 2.77Å; D77-T79 VanDerWaalsContact C-N 3.34Å; T79-K81 PolarHBondContact O-N 2.77Å; T79-L82 PolarHBondContact O-N 2.93Å; T79-T83 PolarHBondContact O-N 2.96Å; T79-T83 PolarHBondContact O-OG1 3.49Å; T79-T83 VanDerWaalsContact O-OG1 3.04Å
80	R	98.4	Very high	98.2	Very high	175 Å²	175	97.6 Å²	97.6	66%	0.66	50%	0.499	S	S	*	.	H	α-helix	trans	-58.8	-45.2	176	-73.1	172.8	177.5	167.5	-3.1	112.3	N76 D77 M78 L82 T83 D84	N76-R80 WeakPolarHBondContact O-CG 3.32Å; N76-R80 PolarHBondContact O-N 2.88Å; D77-R80 PolarHBondContact O-N 2.98Å; D77-R80 IonicContact OD1-NH1 2.69Å; M78-R80 PolarHBondContact O-N 3.41Å; R80-L82 VanDerWaalsContact C-N 3.35Å; R80-L82 PolarHBondContact O-N 3.04Å; R80-T83 PolarHBondContact O-N 2.82Å; R80-D84 PolarHBondContact O-N 3.43Å
81	K	98.2	Very high	98.1	Very high	146 Å²	146	96 Å²	96	64%	0.635	50%	0.5	S	S	*	.	H	α-helix	trans	-61.4	-42.6	176.8	-72.7	173.4	-177.8	174.7	0	111.8	D77 M78 T79 D84 V85	D77-K81 WeakPolarHBondContact O-CG 3.35Å; D77-K81 PolarHBondContact O-N 3.48Å; M78-K81 PolarHBondContact O-N 3.45Å; T79-K81 PolarHBondContact O-N 2.77Å; K81-D84 PolarHBondContact O-N 3.34Å; K81-V85 WeakPolarHBondContact O-CG2 3.31Å; K81-V85 PolarHBondContact O-N 3.41Å
82	L	98.4	Very high	98.1	Very high	114 Å²	114	95.7 Å²	95.7	60%	0.597	50%	0.499	S	S	*	.	H	α-helix	trans	-65.2	-39.8	176.4	-74	172.9	0	0	0	111.8	M78 T79 R80 V85 N86	M78-L82 HydrophobicContact CG-CD1 4.26Å; M78-L82 WeakPolarHBondContact O-CG 3.28Å; M78-L82 PolarHBondContact O-N 3.21Å; T79-L82 PolarHBondContact O-N 2.93Å; R80-L82 VanDerWaalsContact C-N 3.35Å; R80-L82 PolarHBondContact O-N 3.04Å; L82-V85 PolarHBondContact O-N 3.21Å; L82-N86 WeakPolarHBondContact O-CB 3.35Å; L82-N86 PolarHBondContact O-N 2.68Å
83	T	98.3	Very high	98	Very high	73 Å²	73	95 Å²	95	45%	0.448	50%	0.496	S	S	.	.	H	α-helix	trans	-61.7	-44.4	173.4	-57.1	0	0	0	0	111.7	T79 R80 N86 N87	T79-T83 PolarHBondContact O-N 2.96Å; T79-T83 PolarHBondContact O-OG1 3.49Å; T79-T83 VanDerWaalsContact O-OG1 3.04Å; R80-T83 PolarHBondContact O-N 2.82Å; T83-N86 PolarHBondContact O-N 2.94Å; T83-N87 VanDerWaalsContact O-CG 3.23Å; T83-N87 PolarHBondContact O-N 3.49Å; T83-N87 PolarHBondContact O-ND2 2.88Å
84	D	98.3	Very high	97.9	Very high	88 Å²	88	95.3 Å²	95.3	47%	0.471	50%	0.495	S	S	.	.	H	α-helix	trans	-61	-47.4	176.3	-179.1	61.1	0	0	0	111.9	R80 K81 N86 N87 R88	R80-D84 PolarHBondContact O-N 3.43Å; K81-D84 PolarHBondContact O-N 3.34Å; D84-N86 VanDerWaalsContact C-N 3.31Å; D84-N86 PolarHBondContact O-N 3.16Å; D84-N87 PolarHBondContact O-N 3.02Å; D84-N87 VanDerWaalsContact O-N 3.17Å; D84-R88 WeakPolarHBondContact O-CG 3.44Å; D84-R88 PolarHBondContact O-N 3.02Å
85	V	98.2	Very high	97.8	Very high	63 Å²	63	93 Å²	93	38%	0.382	49%	0.489	S	S	.	.	H	α-helix	trans	-57.9	-44.9	175.4	168.2	0	0	0	0	111.1	K81 L82 N87 R88 F89	K81-V85 WeakPolarHBondContact O-CG2 3.31Å; K81-V85 PolarHBondContact O-N 3.41Å; L82-V85 PolarHBondContact O-N 3.21Å; V85-N87 VanDerWaalsContact C-N 3.34Å; V85-N87 PolarHBondContact O-N 3.29Å; V85-R88 PolarHBondContact O-N 3.25Å; V85-F89 HydrophobicContact CG1-CD2 3.62Å; V85-F89 HydrophobicContact CG1-CE2 3.42Å; V85-F89 VanDerWaalsContact CG1-CE2 3.42Å; V85-F89 VanDerWaalsContact O-CD2 3.22Å; V85-F89 WeakPolarHBondContact O-CD2 3.45Å; V85-F89 PolarHBondContact O-N 2.97Å
86	N	98.1	Very high	97.8	Very high	106 Å²	106	93.9 Å²	93.9	57%	0.567	49%	0.491	S	S	*	.	H	α-helix	trans	-60.6	-42.8	177	-175.7	74	0	0	0	112.1	L82 T83 D84 R88 F89 A90	L82-N86 WeakPolarHBondContact O-CB 3.35Å; L82-N86 PolarHBondContact O-N 2.68Å; T83-N86 PolarHBondContact O-N 2.94Å; D84-N86 VanDerWaalsContact C-N 3.31Å; D84-N86 PolarHBondContact O-N 3.16Å; N86-R88 VanDerWaalsContact C-N 3.33Å; N86-R88 PolarHBondContact O-N 2.91Å; N86-F89 PolarHBondContact O-N 2.85Å; N86-A90 PolarHBondContact O-N 3.41Å
87	N	98	Very high	97.8	Very high	90 Å²	90	95.5 Å²	95.5	48%	0.481	49%	0.493	S	S	.	.	H	α-helix	trans	-63.5	-39.8	176.3	-68.4	-20	0	0	0	111.8	T83 D84 V85 A90 S91	T83-N87 VanDerWaalsContact O-CG 3.23Å; T83-N87 PolarHBondContact O-N 3.49Å; T83-N87 PolarHBondContact O-ND2 2.88Å; D84-N87 PolarHBondContact O-N 3.02Å; D84-N87 VanDerWaalsContact O-N 3.17Å; V85-N87 VanDerWaalsContact C-N 3.34Å; V85-N87 PolarHBondContact O-N 3.29Å; N87-A90 WeakPolarHBondContact O-CB 3.48Å; N87-A90 PolarHBondContact O-N 2.89Å; N87-S91 PolarHBondContact O-N 3.47Å
88	R	97.9	Very high	97.7	Very high	165 Å²	165	99.1 Å²	99.1	62%	0.623	51%	0.506	S	S	*	.	H	α-helix	trans	-63.4	-41.8	174.7	-69.6	175.7	65.4	-169.9	-0.7	111.5	D84 V85 N86 S91 L92	D84-R88 WeakPolarHBondContact O-CG 3.44Å; D84-R88 PolarHBondContact O-N 3.02Å; V85-R88 PolarHBondContact O-N 3.25Å; N86-R88 VanDerWaalsContact C-N 3.33Å; N86-R88 PolarHBondContact O-N 2.91Å; R88-S91 PolarHBondContact O-N 3.4Å; R88-S91 PolarHBondContact O-OG 3.35Å; R88-L92 WeakPolarHBondContact O-CB 3.34Å; R88-L92 PolarHBondContact O-N 2.86Å
89	F	98	Very high	97.7	Very high	132 Å²	132	98.3 Å²	98.3	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-63.5	-38.7	173.7	-81.7	-64	0	0	0	112.8	V85 N86 L92 S93	V85-F89 HydrophobicContact CG1-CD2 3.62Å; V85-F89 HydrophobicContact CG1-CE2 3.42Å; V85-F89 VanDerWaalsContact CG1-CE2 3.42Å; V85-F89 VanDerWaalsContact O-CD2 3.22Å; V85-F89 WeakPolarHBondContact O-CD2 3.45Å; V85-F89 PolarHBondContact O-N 2.97Å; N86-F89 PolarHBondContact O-N 2.85Å; F89-L92 HydrophobicContact CD1-CD2 4.46Å; F89-L92 PolarHBondContact O-N 3.09Å; F89-S93 PolarHBondContact O-N 3.5Å
90	A	97.3	Very high	97.6	Very high	49 Å²	49	99.2 Å²	99.2	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-61.9	-45.9	173.4	0	0	0	0	0	111.4	N86 N87 L92 S93 D94	N86-A90 PolarHBondContact O-N 3.41Å; N87-A90 WeakPolarHBondContact O-CB 3.48Å; N87-A90 PolarHBondContact O-N 2.89Å; A90-L92 VanDerWaalsContact C-N 3.3Å; A90-L92 PolarHBondContact O-N 2.98Å; A90-S93 WeakPolarHBondContact O-CB 3.37Å; A90-S93 PolarHBondContact O-N 3.07Å; A90-S93 VanDerWaalsContact O-N 3.14Å; A90-D94 PolarHBondContact O-N 3.36Å
91	S	96.6	Very high	97.6	Very high	75 Å²	75	95.1 Å²	95.1	52%	0.524	49%	0.493	S	S	.	.	H	α-helix	trans	-62.6	-36.8	176.5	75	0	0	0	0	112.8	N87 R88 D94 A95	N87-S91 PolarHBondContact O-N 3.47Å; R88-S91 PolarHBondContact O-N 3.4Å; R88-S91 PolarHBondContact O-OG 3.35Å; S91-D94 PolarHBondContact O-N 3.5Å; S91-A95 PolarHBondContact O-N 2.94Å
92	L	97.2	Very high	97.5	Very high	91 Å²	91	94.6 Å²	94.6	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-66.8	-40.9	174.7	-179.9	61.9	0	0	0	111	R88 F89 A90 D94 A95 L96	R88-L92 WeakPolarHBondContact O-CB 3.34Å; R88-L92 PolarHBondContact O-N 2.86Å; F89-L92 HydrophobicContact CD1-CD2 4.46Å; F89-L92 PolarHBondContact O-N 3.09Å; A90-L92 VanDerWaalsContact C-N 3.3Å; A90-L92 PolarHBondContact O-N 2.98Å; L92-D94 VanDerWaalsContact C-N 3.31Å; L92-D94 PolarHBondContact O-N 3.4Å; L92-A95 WeakPolarHBondContact O-CB 3.29Å; L92-A95 PolarHBondContact O-N 3.27Å; L92-L96 HydrophobicContact CG-CD1 4.41Å; L92-L96 WeakPolarHBondContact O-CG 3.33Å; L92-L96 PolarHBondContact O-N 3.05Å
93	S	96	Very high	97.5	Very high	55 Å²	55	93.1 Å²	93.1	39%	0.385	48%	0.484	S	S	.	.	H	α-helix	trans	-59.4	-42.4	175.1	-176.9	0	0	0	0	111.6	F89 A90 L96 K97	F89-S93 PolarHBondContact O-N 3.5Å; A90-S93 WeakPolarHBondContact O-CB 3.37Å; A90-S93 PolarHBondContact O-N 3.07Å; A90-S93 VanDerWaalsContact O-N 3.14Å; S93-L96 PolarHBondContact O-N 3Å; S93-K97 WeakPolarHBondContact O-CG 3.45Å; S93-K97 PolarHBondContact O-N 3.47Å
94	D	96.9	Very high	97.5	Very high	84 Å²	84	95 Å²	95	45%	0.449	49%	0.486	S	S	.	.	H	α-helix	trans	-69.6	-33.6	176.7	-70.6	-22.1	0	0	0	112.8	A90 S91 L92 K97 K98	A90-D94 PolarHBondContact O-N 3.36Å; S91-D94 PolarHBondContact O-N 3.5Å; L92-D94 VanDerWaalsContact C-N 3.31Å; L92-D94 PolarHBondContact O-N 3.4Å; D94-K97 PolarHBondContact O-N 2.86Å; D94-K97 IonicContact OD1-NZ 2.68Å; D94-K97 PolarHBondContact OD1-NZ 3.49Å; D94-K98 WeakPolarHBondContact O-CG 3.41Å; D94-K98 PolarHBondContact O-N 3.34Å
95	A	97.1	Very high	97.5	Very high	44 Å²	44	94.2 Å²	94.2	36%	0.364	48%	0.482	S	S	.	.	H	α-helix	trans	-63.9	-42.1	171.5	0	0	0	0	0	111.8	S91 L92 K97 K98 I99	S91-A95 PolarHBondContact O-N 2.94Å; L92-A95 WeakPolarHBondContact O-CB 3.29Å; L92-A95 PolarHBondContact O-N 3.27Å; A95-K97 PolarHBondContact O-N 3.21Å; A95-K98 WeakPolarHBondContact O-CB 3.49Å; A95-K98 PolarHBondContact O-N 3.49Å; A95-I99 PolarHBondContact O-N 3.42Å; A95-I99 VanDerWaalsContact O-N 3.13Å
96	L	97.8	Very high	97.4	Very high	91 Å²	91	95.2 Å²	95.2	48%	0.476	48%	0.484	S	S	.	.	H	α-helix	trans	-61.7	-42.5	176.1	-71	170.2	0	0	0	111.7	L92 S93 K98 I99 D100	L92-L96 HydrophobicContact CG-CD1 4.41Å; L92-L96 WeakPolarHBondContact O-CG 3.33Å; L92-L96 PolarHBondContact O-N 3.05Å; S93-L96 PolarHBondContact O-N 3Å; L96-K98 VanDerWaalsContact C-N 3.26Å; L96-K98 PolarHBondContact O-N 3.24Å; L96-I99 WeakPolarHBondContact O-CB 3.35Å; L96-I99 PolarHBondContact O-N 3Å; L96-D100 PolarHBondContact O-N 3.46Å
97	K	97.4	Very high	97.4	Very high	119 Å²	119	96.4 Å²	96.4	52%	0.517	49%	0.486	S	S	.	.	H	α-helix	trans	-60	-34.6	174.7	-68	172.3	-163.4	155.5	0	113.2	S93 D94 A95 D100 Q101	S93-K97 WeakPolarHBondContact O-CG 3.45Å; S93-K97 PolarHBondContact O-N 3.47Å; D94-K97 PolarHBondContact O-N 2.86Å; D94-K97 IonicContact OD1-NZ 2.68Å; D94-K97 PolarHBondContact OD1-NZ 3.49Å; A95-K97 PolarHBondContact O-N 3.21Å; K97-D100 PolarHBondContact O-N 3.22Å; K97-Q101 PolarHBondContact O-N 2.86Å; K97-Q101 VanDerWaalsContact O-N 3.1Å
98	K	97.1	Very high	97.4	Very high	144 Å²	144	97.5 Å²	97.5	63%	0.626	49%	0.488	S	S	*	.	H	α-helix	trans	-68.2	-38.2	175.5	-70.8	176.6	-176.4	178.5	0	111.4	D94 A95 L96 Q101 F102	D94-K98 WeakPolarHBondContact O-CG 3.41Å; D94-K98 PolarHBondContact O-N 3.34Å; A95-K98 WeakPolarHBondContact O-CB 3.49Å; A95-K98 PolarHBondContact O-N 3.49Å; L96-K98 VanDerWaalsContact C-N 3.26Å; L96-K98 PolarHBondContact O-N 3.24Å; K98-Q101 PolarHBondContact O-N 2.89Å; K98-F102 PolarHBondContact O-N 2.93Å
99	I	97.4	Very high	97.3	Very high	88 Å²	88	95.3 Å²	95.3	45%	0.451	49%	0.489	S	S	.	.	H	α-helix	trans	-62.3	-47.2	174	-66.6	170.8	0	0	0	109.7	A95 L96 Q101 F102 D103	A95-I99 PolarHBondContact O-N 3.42Å; A95-I99 VanDerWaalsContact O-N 3.13Å; L96-I99 WeakPolarHBondContact O-CB 3.35Å; L96-I99 PolarHBondContact O-N 3Å; I99-Q101 PolarHBondContact O-N 3.14Å; I99-Q101 VanDerWaalsContact O-N 3.17Å; I99-F102 WeakPolarHBondContact O-CB 3.36Å; I99-F102 PolarHBondContact O-N 3.47Å; I99-D103 PolarHBondContact O-N 3.46Å
100	D	97.5	Very high	97.3	Very high	91 Å²	91	95.1 Å²	95.1	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-58.3	-32.8	176.4	-61.7	-24.7	0	0	0	112.6	L96 K97 K104	L96-D100 PolarHBondContact O-N 3.46Å; K97-D100 PolarHBondContact O-N 3.22Å; D100-K104 WeakPolarHBondContact O-CG 3.36Å; D100-K104 PolarHBondContact O-N 3.44Å
101	Q	97.5	Very high	97.3	Very high	90 Å²	90	100.2 Å²	100.2	42%	0.421	50%	0.502	S	S	.	.	H	α-helix	trans	-72.9	-41.3	174.7	-174.4	58.3	49.7	0	0	111.9	K97 K98 I99 D103 K104 D105	K97-Q101 PolarHBondContact O-N 2.86Å; K97-Q101 VanDerWaalsContact O-N 3.1Å; K98-Q101 PolarHBondContact O-N 2.89Å; I99-Q101 PolarHBondContact O-N 3.14Å; I99-Q101 VanDerWaalsContact O-N 3.17Å; Q101-D103 VanDerWaalsContact C-N 3.3Å; Q101-D103 PolarHBondContact O-N 2.93Å; Q101-K104 PolarHBondContact O-N 2.88Å; Q101-D105 PolarHBondContact NE2-OD1 2.88Å; Q101-D105 VanDerWaalsContact O-CG 3.28Å; Q101-D105 PolarHBondContact O-N 3.4Å
102	F	97.6	Very high	97.2	Very high	134 Å²	134	102.7 Å²	102.7	59%	0.588	50%	0.504	S	S	*	.	H	α-helix	trans	-61.6	-39.1	175	-74	-21.2	0	0	0	112.3	K98 I99 K104 D105 I106	K98-F102 PolarHBondContact O-N 2.93Å; I99-F102 WeakPolarHBondContact O-CB 3.36Å; I99-F102 PolarHBondContact O-N 3.47Å; F102-K104 VanDerWaalsContact C-N 3.31Å; F102-K104 PolarHBondContact O-N 3.31Å; F102-D105 PolarHBondContact O-N 2.93Å; F102-I106 WeakPolarHBondContact O-CB 3.41Å; F102-I106 VanDerWaalsContact O-CG1 3.27Å; F102-I106 WeakPolarHBondContact O-CG1 3.39Å; F102-I106 PolarHBondContact O-N 3.42Å
103	D	97.9	Very high	97.1	Very high	84 Å²	84	101 Å²	101	45%	0.449	50%	0.503	S	S	.	.	H	α-helix	trans	-60.1	-42.7	175.9	-71.1	-19.2	0	0	0	111.2	I99 Q101 D105 I106 E107	I99-D103 PolarHBondContact O-N 3.46Å; Q101-D103 VanDerWaalsContact C-N 3.3Å; Q101-D103 PolarHBondContact O-N 2.93Å; D103-D105 PolarHBondContact O-N 3.29Å; D103-I106 PolarHBondContact O-N 3.31Å; D103-E107 WeakPolarHBondContact O-CG 3.39Å; D103-E107 PolarHBondContact O-N 2.95Å
104	K	97.5	Very high	97.1	Very high	112 Å²	112	105 Å²	105	49%	0.487	51%	0.513	S	S	.	.	H	α-helix	trans	-64.7	-40.3	174.7	-69.3	172.2	-173.2	167.8	0	113	D100 Q101 F102 I106 E107 Q108	D100-K104 WeakPolarHBondContact O-CG 3.36Å; D100-K104 PolarHBondContact O-N 3.44Å; Q101-K104 PolarHBondContact O-N 2.88Å; F102-K104 VanDerWaalsContact C-N 3.31Å; F102-K104 PolarHBondContact O-N 3.31Å; K104-I106 VanDerWaalsContact C-N 3.29Å; K104-E107 PolarHBondContact O-N 3.34Å; K104-Q108 WeakPolarHBondContact O-CG 3.4Å; K104-Q108 PolarHBondContact O-N 3.47Å
105	D	97.5	Very high	97	Very high	72 Å²	72	106.5 Å²	106.5	39%	0.385	52%	0.518	S	S	.	.	H	α-helix	trans	-66.5	-36.9	179	-67.1	-11.7	0	0	0	110.5	Q101 F102 D103 Q108 L109	Q101-D105 PolarHBondContact NE2-OD1 2.88Å; Q101-D105 VanDerWaalsContact O-CG 3.28Å; Q101-D105 PolarHBondContact O-N 3.4Å; F102-D105 PolarHBondContact O-N 2.93Å; D103-D105 PolarHBondContact O-N 3.29Å; D105-Q108 PolarHBondContact O-N 2.87Å; D105-L109 WeakPolarHBondContact O-CB 3.42Å; D105-L109 PolarHBondContact O-N 2.87Å
106	I	97.9	Very high	96.9	Very high	84 Å²	84	109.5 Å²	109.5	43%	0.431	53%	0.527	S	S	.	.	H	α-helix	trans	-64.3	-48.7	173.3	-70.2	166.5	0	0	0	110.6	F102 D103 K104 Q108 L109 E110	F102-I106 WeakPolarHBondContact O-CB 3.41Å; F102-I106 VanDerWaalsContact O-CG1 3.27Å; F102-I106 WeakPolarHBondContact O-CG1 3.39Å; F102-I106 PolarHBondContact O-N 3.42Å; D103-I106 PolarHBondContact O-N 3.31Å; K104-I106 VanDerWaalsContact C-N 3.29Å; I106-Q108 VanDerWaalsContact C-N 3.26Å; I106-Q108 PolarHBondContact O-N 2.89Å; I106-L109 WeakPolarHBondContact O-CA 3.29Å; I106-L109 WeakPolarHBondContact O-CB 3.27Å; I106-L109 PolarHBondContact O-N 3.49Å; I106-E110 HydrophobicContact CG2-CG 4.32Å; I106-E110 WeakPolarHBondContact O-CG 3.49Å; I106-E110 PolarHBondContact O-N 3.43Å
107	E	97.4	Very high	96.7	Very high	131 Å²	131	109.5 Å²	109.5	61%	0.612	52%	0.524	S	S	*	.	H	α-helix	trans	-56.2	-41.2	176.4	-75.7	-179.4	177.1	0	0	112.1	D103 K104 K111	D103-E107 WeakPolarHBondContact O-CG 3.39Å; D103-E107 PolarHBondContact O-N 2.95Å; K104-E107 PolarHBondContact O-N 3.34Å; E107-K111 WeakPolarHBondContact O-CB 3.36Å; E107-K111 PolarHBondContact O-N 3.43Å
108	Q	97.2	Very high	96.5	Very high	112 Å²	112	106.2 Å²	106.2	52%	0.523	51%	0.514	S	S	.	.	H	α-helix	trans	-66.4	-39.9	175.6	-72.3	-178.7	29.3	0	0	112.3	K104 D105 I106 K111 K112	K104-Q108 WeakPolarHBondContact O-CG 3.4Å; K104-Q108 PolarHBondContact O-N 3.47Å; D105-Q108 PolarHBondContact O-N 2.87Å; I106-Q108 VanDerWaalsContact C-N 3.26Å; I106-Q108 PolarHBondContact O-N 2.89Å; Q108-K111 PolarHBondContact O-N 3.37Å; Q108-K112 WeakPolarHBondContact O-CG 3.37Å; Q108-K112 PolarHBondContact O-N 2.94Å
109	L	97.4	Very high	96.3	Very high	120 Å²	120	103.5 Å²	103.5	63%	0.628	51%	0.506	S	S	*	.	H	α-helix	trans	-64.7	-44.1	178.1	-173.1	64.9	0	0	0	111	D105 I106 K111 K112 A113	D105-L109 WeakPolarHBondContact O-CB 3.42Å; D105-L109 PolarHBondContact O-N 2.87Å; I106-L109 WeakPolarHBondContact O-CA 3.29Å; I106-L109 WeakPolarHBondContact O-CB 3.27Å; I106-L109 PolarHBondContact O-N 3.49Å; L109-K111 VanDerWaalsContact C-N 3.34Å; L109-K111 PolarHBondContact O-N 3.18Å; L109-K112 PolarHBondContact O-N 3.35Å; L109-A113 WeakPolarHBondContact O-CB 3.32Å; L109-A113 PolarHBondContact O-N 2.95Å
110	E	97.1	Very high	95.9	Very high	127 Å²	127	101.2 Å²	101.2	59%	0.593	50%	0.496	S	S	*	.	H	α-helix	trans	-59.1	-45.3	174.6	-72.1	179.6	163.8	0	0	111.3	I106 K112 A113 F114	I106-E110 HydrophobicContact CG2-CG 4.32Å; I106-E110 WeakPolarHBondContact O-CG 3.49Å; I106-E110 PolarHBondContact O-N 3.43Å; E110-K112 VanDerWaalsContact C-N 3.34Å; E110-K112 PolarHBondContact O-N 3.13Å; E110-A113 PolarHBondContact O-N 2.98Å; E110-F114 WeakPolarHBondContact O-CB 3.4Å; E110-F114 PolarHBondContact O-N 3.25Å
111	K	96.4	Very high	95.6	Very high	156 Å²	156	102 Å²	102	68%	0.678	50%	0.495	S	S	*	.	H	α-helix	trans	-60	-43.2	176.4	-174	178.7	179.1	-179.2	0	112.4	E107 Q108 L109 F114 E115	E107-K111 WeakPolarHBondContact O-CB 3.36Å; E107-K111 PolarHBondContact O-N 3.43Å; Q108-K111 PolarHBondContact O-N 3.37Å; L109-K111 VanDerWaalsContact C-N 3.34Å; L109-K111 PolarHBondContact O-N 3.18Å; K111-F114 PolarHBondContact O-N 3.13Å; K111-E115 PolarHBondContact O-N 3.5Å
112	K	95.6	Very high	95.2	Very high	128 Å²	128	104.6 Å²	104.6	56%	0.557	51%	0.508	S	S	*	.	H	α-helix	trans	-66.7	-41	177.1	-74.4	-175	179	-174.6	0	112.1	Q108 L109 E110 F114 E115 I116	Q108-K112 WeakPolarHBondContact O-CG 3.37Å; Q108-K112 PolarHBondContact O-N 2.94Å; L109-K112 PolarHBondContact O-N 3.35Å; E110-K112 VanDerWaalsContact C-N 3.34Å; E110-K112 PolarHBondContact O-N 3.13Å; K112-F114 VanDerWaalsContact C-N 3.31Å; K112-F114 PolarHBondContact O-N 3.37Å; K112-E115 PolarHBondContact O-N 2.89Å; K112-I116 WeakPolarHBondContact O-CG1 3.26Å; K112-I116 PolarHBondContact O-N 3.4Å
113	A	95.6	Very high	94.7	Very high	55 Å²	55	104.4 Å²	104.4	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-60.8	-43.2	175.7	0	0	0	0	0	111.1	L109 E110 E115 I116 E117	L109-A113 WeakPolarHBondContact O-CB 3.32Å; L109-A113 PolarHBondContact O-N 2.95Å; E110-A113 PolarHBondContact O-N 2.98Å; A113-E115 PolarHBondContact O-N 2.86Å; A113-I116 PolarHBondContact O-N 2.97Å; A113-E117 WeakPolarHBondContact O-CB 3.33Å; A113-E117 PolarHBondContact O-N 3Å
114	F	95.7	Very high	93.7	Very high	138 Å²	138	103.2 Å²	103.2	61%	0.605	52%	0.519	S	S	*	.	H	α-helix	trans	-62	-41.3	175.1	-179.9	-96.5	0	0	0	113	E110 K111 K112 E117 T118	E110-F114 WeakPolarHBondContact O-CB 3.4Å; E110-F114 PolarHBondContact O-N 3.25Å; K111-F114 PolarHBondContact O-N 3.13Å; K112-F114 VanDerWaalsContact C-N 3.31Å; K112-F114 PolarHBondContact O-N 3.37Å; F114-E117 PolarHBondContact O-N 2.9Å; F114-T118 WeakPolarHBondContact O-CB 3.45Å; F114-T118 PolarHBondContact O-N 2.82Å; F114-T118 PolarHBondContact O-OG1 3.26Å
115	E	94.9	Very high	92.5	Very high	117 Å²	117	103.8 Å²	103.8	55%	0.547	53%	0.527	S	S	.	.	H	α-helix	trans	-62.9	-44.9	175.7	-172.9	175	-169.3	0	0	111.5	K111 K112 A113 E117 T118 L119	K111-E115 PolarHBondContact O-N 3.5Å; K112-E115 PolarHBondContact O-N 2.89Å; A113-E115 PolarHBondContact O-N 2.86Å; E115-E117 PolarHBondContact O-N 3.36Å; E115-T118 PolarHBondContact O-N 3.29Å; E115-L119 HydrophobicContact CG-CD1 4.4Å; E115-L119 WeakPolarHBondContact O-CG 3.46Å; E115-L119 PolarHBondContact O-N 2.86Å
116	I	94.2	Very high	90.5	Very high	107 Å²	107	108.2 Å²	108.2	55%	0.549	55%	0.549	S	S	.	.	H	α-helix	trans	-60.6	-45.4	174.4	-68.6	167.5	0	0	0	110.9	K112 A113 T118 L119 T120	K112-I116 WeakPolarHBondContact O-CG1 3.26Å; K112-I116 PolarHBondContact O-N 3.4Å; A113-I116 PolarHBondContact O-N 2.97Å; I116-T118 VanDerWaalsContact C-N 3.27Å; I116-T118 PolarHBondContact O-N 2.79Å; I116-L119 PolarHBondContact O-N 3.42Å; I116-T120 WeakPolarHBondContact O-CB 3.34Å; I116-T120 PolarHBondContact O-N 3.23Å; I116-T120 PolarHBondContact O-OG1 3.4Å
117	E	93.9	Very high	90.1	Very high	90 Å²	90	109.5 Å²	109.5	42%	0.421	56%	0.555	S	S	.	*	H	α-helix	trans	-59.1	-42.3	177.9	-169.5	-172.5	155.9	0	0	111	A113 F114 E115 T120 K121	A113-E117 WeakPolarHBondContact O-CB 3.33Å; A113-E117 PolarHBondContact O-N 3Å; F114-E117 PolarHBondContact O-N 2.9Å; E115-E117 PolarHBondContact O-N 3.36Å; E117-T120 PolarHBondContact O-N 3.33Å; E117-K121 WeakPolarHBondContact O-CG 3.49Å; E117-K121 PolarHBondContact O-N 2.9Å; E117-K121 WeakPolarHBondContact OE1-CE 3.35Å; E117-K121 IonicContact OE1-NZ 3.69Å; E117-K121 PolarHBondContact OE1-NZ 3.21Å
118	T	92.9	Very high	89.7	Confident	50 Å²	50	108.3 Å²	108.3	31%	0.307	55%	0.552	S	S	.	*	H	α-helix	trans	-64.4	-47.2	177.9	-56.5	0	0	0	0	111.8	F114 E115 I116 T120 K121 Q122	F114-T118 WeakPolarHBondContact O-CB 3.45Å; F114-T118 PolarHBondContact O-N 2.82Å; F114-T118 PolarHBondContact O-OG1 3.26Å; E115-T118 PolarHBondContact O-N 3.29Å; I116-T118 VanDerWaalsContact C-N 3.27Å; I116-T118 PolarHBondContact O-N 2.79Å; T118-T120 VanDerWaalsContact C-N 3.3Å; T118-T120 PolarHBondContact O-N 3.12Å; T118-K121 PolarHBondContact O-N 2.83Å; T118-Q122 WeakPolarHBondContact O-CG 3.22Å; T118-Q122 PolarHBondContact O-N 3.32Å
119	L	92.2	Very high	89.3	Confident	87 Å²	87	108.1 Å²	108.1	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-62.3	-38.6	176.7	-71.1	170.8	0	0	0	111.8	E115 I116 Q122 L123	E115-L119 HydrophobicContact CG-CD1 4.4Å; E115-L119 WeakPolarHBondContact O-CG 3.46Å; E115-L119 PolarHBondContact O-N 2.86Å; I116-L119 PolarHBondContact O-N 3.42Å; L119-Q122 PolarHBondContact O-N 2.87Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 2.78Å
120	T	90.6	Very high	88.8	Confident	40 Å²	40	107.4 Å²	107.4	25%	0.245	55%	0.55	C	S	.	.	H	α-helix	trans	-64.7	-42.5	178.1	-53.3	0	0	0	0	111.3	I116 E117 T118 L123 G124 I125 L126	I116-T120 WeakPolarHBondContact O-CB 3.34Å; I116-T120 PolarHBondContact O-N 3.23Å; I116-T120 PolarHBondContact O-OG1 3.4Å; E117-T120 PolarHBondContact O-N 3.33Å; T118-T120 VanDerWaalsContact C-N 3.3Å; T118-T120 PolarHBondContact O-N 3.12Å; T120-L123 PolarHBondContact O-N 3.04Å; T120-G124 PolarHBondContact O-N 3.35Å; T120-I125 HydrophobicContact CG2-CB 3.88Å; T120-I125 HydrophobicContact CG2-CG2 4.07Å; T120-I125 PolarHBondContact O-N 2.85Å; T120-L126 HydrophobicContact CG2-CD1 4.43Å
121	K	90.3	Very high	88.3	Confident	108 Å²	108	106.2 Å²	106.2	47%	0.47	55%	0.547	S	S	.	.	H	α-helix	trans	-61.5	-40.8	172.2	-74.9	175.2	-175	164.8	0	112.1	E117 T118 L123 G124 L126	E117-K121 WeakPolarHBondContact O-CG 3.49Å; E117-K121 PolarHBondContact O-N 2.9Å; E117-K121 WeakPolarHBondContact OE1-CE 3.35Å; E117-K121 IonicContact OE1-NZ 3.69Å; E117-K121 PolarHBondContact OE1-NZ 3.21Å; T118-K121 PolarHBondContact O-N 2.83Å; K121-L123 VanDerWaalsContact C-N 3.31Å; K121-L123 PolarHBondContact O-N 3.43Å; K121-G124 PolarHBondContact O-N 3.35Å; K121-G124 VanDerWaalsContact O-N 3.16Å; K121-L126 HydrophobicContact CG-CB 4.32Å
122	Q	88.9	Confident	87.7	Confident	144 Å²	144	102.9 Å²	102.9	67%	0.673	54%	0.538	S	S	*	.	H	α-helix	trans	-65.5	-32.9	178.1	-73.7	176.3	-7.4	0	0	113.2	T118 L119 G124	T118-Q122 WeakPolarHBondContact O-CG 3.22Å; T118-Q122 PolarHBondContact O-N 3.32Å; L119-Q122 PolarHBondContact O-N 2.87Å; Q122-G124 PolarHBondContact O-N 3.17Å
123	L	87.1	Confident	87.2	Confident	131 Å²	131	101.1 Å²	101.1	69%	0.686	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-3	176.3	-73.7	159.1	0	0	0	113.3	L119 T120 K121 I125	L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 2.78Å; T120-L123 PolarHBondContact O-N 3.04Å; K121-L123 VanDerWaalsContact C-N 3.31Å; K121-L123 PolarHBondContact O-N 3.43Å; L123-I125 HydrophobicContact CB-CD1 3.78Å; L123-I125 HydrophobicContact CB-CG1 3.95Å; L123-I125 HydrophobicContact CD1-CD1 4.29Å; L123-I125 PolarHBondContact O-N 3.13Å
124	G	77.3	Confident	86.5	Confident	58 Å²	58	104.6 Å²	104.6	60%	0.598	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	21	-178.4	0	0	0	0	0	113.8	T120 K121 Q122 L126	T120-G124 PolarHBondContact O-N 3.35Å; K121-G124 PolarHBondContact O-N 3.35Å; K121-G124 VanDerWaalsContact O-N 3.16Å; Q122-G124 PolarHBondContact O-N 3.17Å; G124-L126 VanDerWaalsContact C-N 3.32Å
125	I	73	Confident	85.8	Confident	125 Å²	125	101.8 Å²	101.8	64%	0.641	54%	0.538	S	S	*	.			trans	-84.4	-14.8	178.3	-59.2	170.1	0	0	0	110.6	T120 L123	T120-I125 HydrophobicContact CG2-CB 3.88Å; T120-I125 HydrophobicContact CG2-CG2 4.07Å; T120-I125 PolarHBondContact O-N 2.85Å; L123-I125 HydrophobicContact CB-CD1 3.78Å; L123-I125 HydrophobicContact CB-CG1 3.95Å; L123-I125 HydrophobicContact CD1-CD1 4.29Å; L123-I125 PolarHBondContact O-N 3.13Å
126	L	53.9	Low	84.9	Confident	165 Å²	165	100.5 Å²	100.5	86%	0.864	54%	0.537	S	S	*	.			trans	-124.6	0	166.1	-125.5	89.9	0	0	0	109.1	T120 K121 G124	T120-L126 HydrophobicContact CG2-CD1 4.43Å; K121-L126 HydrophobicContact CG-CB 4.32Å; G124-L126 VanDerWaalsContact C-N 3.32Å

Retrieved 126 of 126 residues in 110.6 ms (Link to these results)

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