A0A3Q0KL94_SCHMA Loading...

BLOC-1-related complex subunit 8

AlphaFold DB , UniProt , Accession A0A3Q0KL94, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 229 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.9	Low	56.9	Low	244 Å²	244	146.7 Å²	146.7	100%	1.202	74%	0.739	S	S	*	*				0	51	0	-155.1	-178.8	-80.4	0	0	109
2	E	56.9	Low	56.7	Low	170 Å²	170	148.7 Å²	148.7	79%	0.794	74%	0.739	S	S	*	*			trans	-127	9.2	-158.8	-68.5	-172.3	154.7	0	0	115.8	S4	E2-S4 PolarHBondContact O-N 2.98Å
3	R	57.8	Low	56.4	Low	245 Å²	245	147.8 Å²	147.8	93%	0.925	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-2.5	-174.3	-75.5	-174.8	178.4	166.1	-0.3	115.8
4	S	59.6	Low	56.1	Low	109 Å²	109	148.7 Å²	148.7	76%	0.762	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-8.2	-169.6	-54.3	0	0	0	0	115.5	E2	E2-S4 PolarHBondContact O-N 2.98Å
5	V	61.2	Low	56	Low	105 Å²	105	144.7 Å²	144.7	64%	0.636	71%	0.712	S	S	*	*	S	Bend	trans	-90.7	-19.6	-171.7	-130.8	0	0	0	0	113.9	F7	V5-F7 PolarHBondContact O-N 3.49Å
6	N	61.2	Low	56	Low	122 Å²	122	145.4 Å²	145.4	65%	0.652	71%	0.713	S	S	*	*	H	α-helix	trans	-81.5	-13	-175.7	-67.3	-15.6	0	0	0	114.3
7	F	55.2	Low	55.9	Low	161 Å²	161	141.2 Å²	141.2	71%	0.706	70%	0.701	S	S	*	*	H	α-helix	trans	-74.8	-30	-177.9	-169.8	-102.2	0	0	0	112.9	V5	V5-F7 PolarHBondContact O-N 3.49Å
8	L	55	Low	56	Low	132 Å²	132	136.4 Å²	136.4	69%	0.691	68%	0.684	S	S	*	*	H	α-helix	trans	-79.3	-34.1	-177	-81.1	155.4	0	0	0	113.1	K11	L8-K11 PolarHBondContact O-N 3.44Å
9	S	55.6	Low	56.2	Low	87 Å²	87	134.7 Å²	134.7	61%	0.608	68%	0.677	S	S	*	*	H	α-helix	trans	-67.2	-39.5	176.3	-75.2	0	0	0	0	112.7	K11 K12 E13	S9-K11 PolarHBondContact O-N 3.11Å; S9-K12 PolarHBondContact O-N 2.88Å; S9-E13 PolarHBondContact O-N 2.99Å
10	N	55.7	Low	56.6	Low	109 Å²	109	135.5 Å²	135.5	58%	0.583	68%	0.676	S	S	*	*	H	α-helix	trans	-66.6	-21.7	178	-80.1	-14.1	0	0	0	113.6	K14	N10-K14 WeakPolarHBondContact O-CB 3.38Å; N10-K14 PolarHBondContact O-N 3.5Å
11	K	55.7	Low	57.2	Low	130 Å²	130	132 Å²	132	57%	0.565	66%	0.662	S	S	*	*	H	α-helix	trans	-78.3	-39	178.2	-164.3	152.5	-177.3	170.9	0	111.9	L8 S9 K14 D15	L8-K11 PolarHBondContact O-N 3.44Å; S9-K11 PolarHBondContact O-N 3.11Å; K11-K14 PolarHBondContact O-N 3.06Å; K11-D15 PolarHBondContact O-N 3.4Å
12	K	54.3	Low	58	Low	170 Å²	170	125 Å²	125	74%	0.739	63%	0.629	S	S	*	*	H	α-helix	trans	-68.6	-34.6	177.9	-122.3	-178.3	-178.6	-179.6	0	113	S9 Q16	S9-K12 PolarHBondContact O-N 2.88Å; K12-Q16 PolarHBondContact O-N 3.39Å
13	E	53.1	Low	58.9	Low	138 Å²	138	121.5 Å²	121.5	65%	0.645	62%	0.619	S	S	*	*	H	α-helix	trans	-71.3	-33.1	176.6	-162.3	169.1	-165.6	0	0	112	S9 Q16 S17	S9-E13 PolarHBondContact O-N 2.99Å; E13-Q16 PolarHBondContact O-N 3.22Å; E13-S17 PolarHBondContact O-N 3.27Å; E13-S17 VanDerWaalsContact O-N 3.17Å
14	K	52.7	Low	59.9	Low	160 Å²	160	114.9 Å²	114.9	70%	0.696	60%	0.6	S	S	*	*	H	α-helix	trans	-70.2	-34.6	176.3	-152.7	170.5	-174.1	175.9	0	112.8	N10 K11 S18	N10-K14 WeakPolarHBondContact O-CB 3.38Å; N10-K14 PolarHBondContact O-N 3.5Å; K11-K14 PolarHBondContact O-N 3.06Å; K14-S18 WeakPolarHBondContact O-CB 3.36Å; K14-S18 PolarHBondContact O-N 3.08Å; K14-S18 PolarHBondContact O-OG 3.22Å
15	D	54.2	Low	60.9	Low	88 Å²	88	114.4 Å²	114.4	47%	0.471	59%	0.589	S	S	.	*	H	α-helix	trans	-73.1	-29.5	177.2	-65.6	-22.8	0	0	0	112.7	K11 S18 N19	K11-D15 PolarHBondContact O-N 3.4Å; D15-S18 WeakPolarHBondContact CA-OG 3.04Å; D15-S18 PolarHBondContact O-OG 3.43Å; D15-N19 PolarHBondContact O-N 3.01Å; D15-N19 PolarHBondContact O-ND2 3Å
16	Q	56	Low	62	Low	157 Å²	157	114.5 Å²	114.5	73%	0.734	58%	0.582	S	S	*	*	H	α-helix	trans	-75.3	-36.5	174.1	-125.6	172.5	28.4	0	0	112	K12 E13 K20	K12-Q16 PolarHBondContact O-N 3.39Å; E13-Q16 PolarHBondContact O-N 3.22Å; Q16-K20 PolarHBondContact O-N 3.32Å
17	S	55.2	Low	63.2	Low	73 Å²	73	111.7 Å²	111.7	51%	0.51	57%	0.573	S	S	.	*	H	α-helix	trans	-70.7	-34.4	174.1	-171.3	0	0	0	0	112.9	E13 T21	E13-S17 PolarHBondContact O-N 3.27Å; E13-S17 VanDerWaalsContact O-N 3.17Å; S17-T21 WeakPolarHBondContact O-CG2 3.33Å; S17-T21 PolarHBondContact O-N 2.94Å; S17-T21 VanDerWaalsContact O-N 3.08Å; S17-T21 PolarHBondContact O-OG1 2.86Å
18	S	57.3	Low	65	Low	55 Å²	55	108.9 Å²	108.9	39%	0.385	56%	0.564	S	S	.	*	H	α-helix	trans	-70	-37.7	177	64.6	0	0	0	0	112.2	K14 D15 T21 N22	K14-S18 WeakPolarHBondContact O-CB 3.36Å; K14-S18 PolarHBondContact O-N 3.08Å; K14-S18 PolarHBondContact O-OG 3.22Å; D15-S18 WeakPolarHBondContact CA-OG 3.04Å; D15-S18 PolarHBondContact O-OG 3.43Å; S18-T21 WeakPolarHBondContact CA-OG1 3.36Å; S18-T21 PolarHBondContact O-N 3.46Å; S18-T21 PolarHBondContact O-OG1 3.44Å; S18-N22 WeakPolarHBondContact O-CB 3.38Å; S18-N22 PolarHBondContact O-N 3.22Å
19	N	60.2	Low	66.7	Low	104 Å²	104	106 Å²	106	56%	0.556	56%	0.555	S	S	*	*	H	α-helix	trans	-68.3	-39.7	173.9	-79.1	-24.1	0	0	0	112.6	D15 T21 N22 V23	D15-N19 PolarHBondContact O-N 3.01Å; D15-N19 PolarHBondContact O-ND2 3Å; N19-T21 PolarHBondContact O-N 3.21Å; N19-N22 PolarHBondContact O-N 2.87Å; N19-V23 WeakPolarHBondContact O-CG2 3.47Å; N19-V23 PolarHBondContact O-N 3.28Å
20	K	63.2	Low	68.4	Low	151 Å²	151	107.6 Å²	107.6	66%	0.657	55%	0.553	S	S	*	*	H	α-helix	trans	-64.5	-39.7	176.1	-170.9	173.4	-178.6	177.9	0	112.1	Q16 M24	Q16-K20 PolarHBondContact O-N 3.32Å; K20-M24 WeakPolarHBondContact O-CG 3.4Å; K20-M24 PolarHBondContact O-N 3.19Å
21	T	68.9	Low	70.3	Confident	61 Å²	61	109.5 Å²	109.5	37%	0.374	56%	0.556	S	S	.	*	H	α-helix	trans	-68.6	-37.5	175.4	48	0	0	0	0	112.1	S17 S18 N19 M24 N25	S17-T21 WeakPolarHBondContact O-CG2 3.33Å; S17-T21 PolarHBondContact O-N 2.94Å; S17-T21 VanDerWaalsContact O-N 3.08Å; S17-T21 PolarHBondContact O-OG1 2.86Å; S18-T21 WeakPolarHBondContact CA-OG1 3.36Å; S18-T21 PolarHBondContact O-N 3.46Å; S18-T21 PolarHBondContact O-OG1 3.44Å; N19-T21 PolarHBondContact O-N 3.21Å; T21-M24 PolarHBondContact O-N 2.97Å; T21-N25 WeakPolarHBondContact O-CB 3.29Å; T21-N25 PolarHBondContact O-N 2.85Å; T21-N25 PolarHBondContact O-ND2 2.95Å
22	N	69.4	Low	72.2	Confident	99 Å²	99	107.1 Å²	107.1	53%	0.529	55%	0.552	S	S	.	*	H	α-helix	trans	-64	-46.1	174.6	-163.9	2.3	0	0	0	112.3	S18 N19 M24 N25 E26	S18-N22 WeakPolarHBondContact O-CB 3.38Å; S18-N22 PolarHBondContact O-N 3.22Å; N19-N22 PolarHBondContact O-N 2.87Å; N22-M24 VanDerWaalsContact C-N 3.34Å; N22-M24 PolarHBondContact O-N 3.37Å; N22-N25 PolarHBondContact O-N 2.99Å; N22-E26 WeakPolarHBondContact O-CB 3.35Å; N22-E26 PolarHBondContact O-N 3.35Å
23	V	75.7	Confident	74.1	Confident	95 Å²	95	103.3 Å²	103.3	58%	0.576	54%	0.543	S	S	*	.	H	α-helix	trans	-62	-39.8	175.7	174	0	0	0	0	111.7	N19 E26 S27	N19-V23 WeakPolarHBondContact O-CG2 3.47Å; N19-V23 PolarHBondContact O-N 3.28Å; V23-E26 PolarHBondContact O-N 3.01Å; V23-S27 PolarHBondContact O-N 3.27Å
24	M	78.6	Confident	76.1	Confident	106 Å²	106	99.1 Å²	99.1	52%	0.522	53%	0.533	S	S	.	.	H	α-helix	trans	-64.5	-43	174	-72.6	-160.3	-49.3	0	0	112	K20 T21 N22 E26 S27 L28	K20-M24 WeakPolarHBondContact O-CG 3.4Å; K20-M24 PolarHBondContact O-N 3.19Å; T21-M24 PolarHBondContact O-N 2.97Å; N22-M24 VanDerWaalsContact C-N 3.34Å; N22-M24 PolarHBondContact O-N 3.37Å; M24-E26 VanDerWaalsContact C-N 3.34Å; M24-E26 PolarHBondContact O-N 3.32Å; M24-S27 PolarHBondContact O-N 2.87Å; M24-S27 PolarHBondContact O-OG 3.4Å; M24-L28 WeakPolarHBondContact O-CB 3.49Å; M24-L28 PolarHBondContact O-N 3.46Å
25	N	81.5	Confident	78.1	Confident	99 Å²	99	94.9 Å²	94.9	53%	0.529	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-38.5	177.3	-70	-23.6	0	0	0	112	T21 N22 L28 S29	T21-N25 WeakPolarHBondContact O-CB 3.29Å; T21-N25 PolarHBondContact O-N 2.85Å; T21-N25 PolarHBondContact O-ND2 2.95Å; N22-N25 PolarHBondContact O-N 2.99Å; N25-L28 PolarHBondContact O-N 2.91Å; N25-S29 WeakPolarHBondContact O-CB 3.41Å; N25-S29 PolarHBondContact O-N 2.96Å
26	E	82.7	Confident	80.2	Confident	107 Å²	107	94 Å²	94	50%	0.5	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-45.3	174.8	-172.5	172.4	-174.3	0	0	111.4	N22 V23 M24 L28 S29 Q30	N22-E26 WeakPolarHBondContact O-CB 3.35Å; N22-E26 PolarHBondContact O-N 3.35Å; V23-E26 PolarHBondContact O-N 3.01Å; M24-E26 VanDerWaalsContact C-N 3.34Å; M24-E26 PolarHBondContact O-N 3.32Å; E26-L28 VanDerWaalsContact C-N 3.3Å; E26-L28 PolarHBondContact O-N 3.4Å; E26-S29 WeakPolarHBondContact O-CB 3.44Å; E26-S29 PolarHBondContact O-N 2.91Å; E26-Q30 WeakPolarHBondContact O-CG 3.43Å; E26-Q30 PolarHBondContact O-N 3.04Å
27	S	87.8	Confident	82.1	Confident	64 Å²	64	89.3 Å²	89.3	45%	0.448	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-37.1	175.6	75.2	0	0	0	0	112.9	V23 M24 K31	V23-S27 PolarHBondContact O-N 3.27Å; M24-S27 PolarHBondContact O-N 2.87Å; M24-S27 PolarHBondContact O-OG 3.4Å; S27-K31 WeakPolarHBondContact O-CB 3.36Å; S27-K31 PolarHBondContact O-N 3.28Å
28	L	91.6	Very high	84.1	Confident	102 Å²	102	91 Å²	91	53%	0.534	51%	0.506	S	S	.	.	H	α-helix	trans	-67.9	-44.8	175.3	-179.4	62.7	0	0	0	110.8	M24 N25 E26 Q30 K31 V32	M24-L28 WeakPolarHBondContact O-CB 3.49Å; M24-L28 PolarHBondContact O-N 3.46Å; N25-L28 PolarHBondContact O-N 2.91Å; E26-L28 VanDerWaalsContact C-N 3.3Å; E26-L28 PolarHBondContact O-N 3.4Å; L28-Q30 PolarHBondContact O-N 2.94Å; L28-K31 PolarHBondContact O-N 2.79Å; L28-V32 HydrophobicContact CD1-CG2 4.29Å; L28-V32 HydrophobicContact CG-CG2 4.44Å; L28-V32 WeakPolarHBondContact O-CB 3.38Å; L28-V32 VanDerWaalsContact O-CG2 3.28Å; L28-V32 WeakPolarHBondContact O-CG2 3.48Å; L28-V32 PolarHBondContact O-N 3.39Å
29	S	91	Very high	85.9	Confident	71 Å²	71	93.9 Å²	93.9	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-59.4	-44.8	176.4	-176.8	0	0	0	0	111.9	N25 E26 V32 T33	N25-S29 WeakPolarHBondContact O-CB 3.41Å; N25-S29 PolarHBondContact O-N 2.96Å; E26-S29 WeakPolarHBondContact O-CB 3.44Å; E26-S29 PolarHBondContact O-N 2.91Å; S29-V32 PolarHBondContact O-N 2.92Å; S29-T33 WeakPolarHBondContact O-CB 3.01Å; S29-T33 PolarHBondContact O-N 3.04Å; S29-T33 PolarHBondContact O-OG1 3.41Å
30	Q	92.5	Very high	87.6	Confident	120 Å²	120	94 Å²	94	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-61.5	-45.2	174.4	-71.9	177.6	6.1	0	0	111.5	E26 L28 V32 T33 A34	E26-Q30 WeakPolarHBondContact O-CG 3.43Å; E26-Q30 PolarHBondContact O-N 3.04Å; L28-Q30 PolarHBondContact O-N 2.94Å; Q30-V32 PolarHBondContact O-N 3.08Å; Q30-T33 PolarHBondContact O-N 3.41Å; Q30-A34 WeakPolarHBondContact O-CB 3.37Å; Q30-A34 PolarHBondContact O-N 3.14Å
31	K	93.9	Very high	89.1	Confident	149 Å²	149	91.3 Å²	91.3	65%	0.648	51%	0.508	S	S	*	.	H	α-helix	trans	-62.9	-42.2	177.6	-173.7	175	-178.4	-179.6	0	112.4	S27 L28 A34 T35	S27-K31 WeakPolarHBondContact O-CB 3.36Å; S27-K31 PolarHBondContact O-N 3.28Å; L28-K31 PolarHBondContact O-N 2.79Å; K31-A34 PolarHBondContact O-N 3Å; K31-T35 WeakPolarHBondContact O-CB 3.44Å; K31-T35 PolarHBondContact O-N 2.9Å; K31-T35 PolarHBondContact O-OG1 3.32Å
32	V	95.7	Very high	90.3	Very high	80 Å²	80	91.3 Å²	91.3	49%	0.485	51%	0.51	S	S	.	.	H	α-helix	trans	-63.9	-43.8	176.1	169.6	0	0	0	0	110.3	L28 S29 Q30 T35 T36	L28-V32 HydrophobicContact CD1-CG2 4.29Å; L28-V32 HydrophobicContact CG-CG2 4.44Å; L28-V32 WeakPolarHBondContact O-CB 3.38Å; L28-V32 VanDerWaalsContact O-CG2 3.28Å; L28-V32 WeakPolarHBondContact O-CG2 3.48Å; L28-V32 PolarHBondContact O-N 3.39Å; S29-V32 PolarHBondContact O-N 2.92Å; Q30-V32 PolarHBondContact O-N 3.08Å; V32-T35 PolarHBondContact O-N 3.48Å; V32-T36 VanDerWaalsContact O-CB 3.3Å; V32-T36 WeakPolarHBondContact O-CB 3.31Å; V32-T36 PolarHBondContact O-N 2.93Å; V32-T36 PolarHBondContact O-OG1 3.34Å
33	T	94.7	Very high	91.5	Very high	90 Å²	90	92.2 Å²	92.2	55%	0.552	52%	0.515	S	S	*	.	H	α-helix	trans	-62.5	-46.3	177.7	-56	0	0	0	0	111.3	S29 Q30 T36 S37	S29-T33 WeakPolarHBondContact O-CB 3.01Å; S29-T33 PolarHBondContact O-N 3.04Å; S29-T33 PolarHBondContact O-OG1 3.41Å; Q30-T33 PolarHBondContact O-N 3.41Å; T33-T36 PolarHBondContact O-N 3.32Å; T33-S37 WeakPolarHBondContact O-CB 3.42Å; T33-S37 PolarHBondContact O-N 3.49Å
34	A	95.1	Very high	92.2	Very high	51 Å²	51	90.6 Å²	90.6	42%	0.421	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-48.3	176.8	0	0	0	0	0	111.9	Q30 K31 T36 S37 D38	Q30-A34 WeakPolarHBondContact O-CB 3.37Å; Q30-A34 PolarHBondContact O-N 3.14Å; K31-A34 PolarHBondContact O-N 3Å; A34-T36 VanDerWaalsContact C-N 3.31Å; A34-T36 PolarHBondContact O-N 2.97Å; A34-S37 WeakPolarHBondContact O-CB 3.45Å; A34-S37 PolarHBondContact O-N 3.17Å; A34-S37 VanDerWaalsContact O-N 3.16Å; A34-D38 PolarHBondContact O-N 2.63Å
35	T	96.2	Very high	92.9	Very high	70 Å²	70	91.3 Å²	91.3	43%	0.429	52%	0.517	S	S	.	.	H	α-helix	trans	-61.6	-40.4	178.3	-51.1	0	0	0	0	111.5	K31 V32 D38 L39	K31-T35 WeakPolarHBondContact O-CB 3.44Å; K31-T35 PolarHBondContact O-N 2.9Å; K31-T35 PolarHBondContact O-OG1 3.32Å; V32-T35 PolarHBondContact O-N 3.48Å; T35-D38 PolarHBondContact O-N 2.92Å; T35-L39 HydrophobicContact CG2-CD1 4.26Å; T35-L39 VanDerWaalsContact O-CG 3.29Å; T35-L39 WeakPolarHBondContact O-CG 3.27Å; T35-L39 PolarHBondContact O-N 3.39Å
36	T	96.6	Very high	93.6	Very high	71 Å²	71	89.7 Å²	89.7	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-40.7	177.1	-54.3	0	0	0	0	110.9	V32 T33 A34 L39 L40	V32-T36 VanDerWaalsContact O-CB 3.3Å; V32-T36 WeakPolarHBondContact O-CB 3.31Å; V32-T36 PolarHBondContact O-N 2.93Å; V32-T36 PolarHBondContact O-OG1 3.34Å; T33-T36 PolarHBondContact O-N 3.32Å; A34-T36 VanDerWaalsContact C-N 3.31Å; A34-T36 PolarHBondContact O-N 2.97Å; T36-L39 PolarHBondContact O-N 2.87Å; T36-L40 HydrophobicContact CG2-CD1 4.39Å; T36-L40 VanDerWaalsContact O-CG 3.31Å; T36-L40 WeakPolarHBondContact O-CG 3.37Å; T36-L40 PolarHBondContact O-N 3.41Å
37	S	97.2	Very high	94.1	Very high	57 Å²	57	88.7 Å²	88.7	40%	0.399	51%	0.509	S	S	.	.	H	α-helix	trans	-61.2	-45.3	174.9	-174.2	0	0	0	0	111.8	T33 A34 L39 L40 I41	T33-S37 WeakPolarHBondContact O-CB 3.42Å; T33-S37 PolarHBondContact O-N 3.49Å; A34-S37 WeakPolarHBondContact O-CB 3.45Å; A34-S37 PolarHBondContact O-N 3.17Å; A34-S37 VanDerWaalsContact O-N 3.16Å; S37-L39 PolarHBondContact O-N 2.97Å; S37-L40 WeakPolarHBondContact O-CB 3.33Å; S37-L40 PolarHBondContact O-N 3.3Å; S37-I41 WeakPolarHBondContact O-CG1 3.44Å; S37-I41 PolarHBondContact O-N 3.45Å
38	D	96.1	Very high	94.5	Very high	109 Å²	109	89.6 Å²	89.6	58%	0.583	52%	0.516	S	S	*	.	H	α-helix	trans	-63.6	-41.5	178.6	-70.4	-16.6	0	0	0	111.7	A34 T35 L40 I41 S42	A34-D38 PolarHBondContact O-N 2.63Å; T35-D38 PolarHBondContact O-N 2.92Å; D38-L40 VanDerWaalsContact C-N 3.34Å; D38-L40 PolarHBondContact O-N 3.02Å; D38-I41 PolarHBondContact O-N 3.34Å; D38-S42 PolarHBondContact O-N 3.49Å
39	L	95.4	Very high	94.7	Very high	115 Å²	115	87.8 Å²	87.8	60%	0.602	51%	0.506	S	S	*	.	H	α-helix	trans	-64.2	-37.8	175	-71.1	168.2	0	0	0	112.2	T35 T36 S37 S42 L43	T35-L39 HydrophobicContact CG2-CD1 4.26Å; T35-L39 VanDerWaalsContact O-CG 3.29Å; T35-L39 WeakPolarHBondContact O-CG 3.27Å; T35-L39 PolarHBondContact O-N 3.39Å; T36-L39 PolarHBondContact O-N 2.87Å; S37-L39 PolarHBondContact O-N 2.97Å; L39-S42 PolarHBondContact O-N 3.17Å; L39-L43 VanDerWaalsContact O-CB 3.28Å; L39-L43 WeakPolarHBondContact O-CB 3.26Å; L39-L43 PolarHBondContact O-N 2.97Å
40	L	95.8	Very high	94.9	Very high	108 Å²	108	86.9 Å²	86.9	57%	0.565	50%	0.503	S	S	*	.	H	α-helix	trans	-65	-40.8	174.4	-74.2	170	0	0	0	111.8	T36 S37 D38 L43 A44	T36-L40 HydrophobicContact CG2-CD1 4.39Å; T36-L40 VanDerWaalsContact O-CG 3.31Å; T36-L40 WeakPolarHBondContact O-CG 3.37Å; T36-L40 PolarHBondContact O-N 3.41Å; S37-L40 WeakPolarHBondContact O-CB 3.33Å; S37-L40 PolarHBondContact O-N 3.3Å; D38-L40 VanDerWaalsContact C-N 3.34Å; D38-L40 PolarHBondContact O-N 3.02Å; L40-L43 PolarHBondContact O-N 3.47Å; L40-A44 VanDerWaalsContact O-CB 3.28Å; L40-A44 WeakPolarHBondContact O-CB 3.35Å; L40-A44 PolarHBondContact O-N 2.73Å
41	I	95.7	Very high	95.1	Very high	93 Å²	93	89.1 Å²	89.1	48%	0.477	51%	0.507	S	S	.	.	H	α-helix	trans	-65.8	-42.4	176.3	-66.5	165.9	0	0	0	110.6	S37 D38 A44 N45	S37-I41 WeakPolarHBondContact O-CG1 3.44Å; S37-I41 PolarHBondContact O-N 3.45Å; D38-I41 PolarHBondContact O-N 3.34Å; I41-A44 PolarHBondContact O-N 2.98Å; I41-N45 PolarHBondContact O-N 2.96Å; I41-N45 PolarHBondContact O-ND2 2.98Å
42	S	94	Very high	95.2	Very high	61 Å²	61	87.5 Å²	87.5	43%	0.427	50%	0.501	S	S	.	.	H	α-helix	trans	-59.7	-52.1	173.9	-167	0	0	0	0	110.1	D38 L39 A44 N45 E46	D38-S42 PolarHBondContact O-N 3.49Å; L39-S42 PolarHBondContact O-N 3.17Å; S42-A44 VanDerWaalsContact C-N 3.29Å; S42-A44 PolarHBondContact O-N 3.25Å; S42-N45 CarbonylContact O-C 3.25Å; S42-N45 VanDerWaalsContact O-C 3.25Å; S42-N45 WeakPolarHBondContact O-CA 3.41Å; S42-N45 PolarHBondContact O-N 2.99Å; S42-E46 VanDerWaalsContact C-OE1 3.3Å; S42-E46 WeakPolarHBondContact O-CG 3.42Å; S42-E46 PolarHBondContact O-N 2.91Å; S42-E46 PolarHBondContact OG-OE1 3.15Å
43	L	92.8	Very high	95.3	Very high	118 Å²	118	89.1 Å²	89.1	62%	0.618	50%	0.503	S	S	*	.	H	α-helix	trans	-56.9	-41.5	-179.3	-173.3	61.6	0	0	0	112.4	L39 L40 N45 E46	L39-L43 VanDerWaalsContact O-CB 3.28Å; L39-L43 WeakPolarHBondContact O-CB 3.26Å; L39-L43 PolarHBondContact O-N 2.97Å; L40-L43 PolarHBondContact O-N 3.47Å; L43-N45 PolarHBondContact O-N 2.95Å; L43-E46 HydrophobicContact CD1-CG 4.29Å
44	A	91.7	Very high	95.5	Very high	61 Å²	61	89.3 Å²	89.3	50%	0.504	50%	0.499	S	S	.	.	H	α-helix	trans	-69	-21.5	177.7	0	0	0	0	0	113.5	L40 I41 S42	L40-A44 VanDerWaalsContact O-CB 3.28Å; L40-A44 WeakPolarHBondContact O-CB 3.35Å; L40-A44 PolarHBondContact O-N 2.73Å; I41-A44 PolarHBondContact O-N 2.98Å; S42-A44 VanDerWaalsContact C-N 3.29Å; S42-A44 PolarHBondContact O-N 3.25Å
45	N	93.9	Very high	95.6	Very high	122 Å²	122	93.3 Å²	93.3	65%	0.652	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	19.6	-179.4	-63.2	-62	0	0	0	112.7	I41 S42 L43	I41-N45 PolarHBondContact O-N 2.96Å; I41-N45 PolarHBondContact O-ND2 2.98Å; S42-N45 CarbonylContact O-C 3.25Å; S42-N45 VanDerWaalsContact O-C 3.25Å; S42-N45 WeakPolarHBondContact O-CA 3.41Å; S42-N45 PolarHBondContact O-N 2.99Å; L43-N45 PolarHBondContact O-N 2.95Å
46	E	94.9	Very high	95.7	Very high	65 Å²	65	92.2 Å²	92.2	30%	0.304	50%	0.499	S	S	.	.			trans	-63.3	138	179.1	-70	-63.2	146.4	0	0	110.1	S42 L43 S48 L49 A50	S42-E46 VanDerWaalsContact C-OE1 3.3Å; S42-E46 WeakPolarHBondContact O-CG 3.42Å; S42-E46 PolarHBondContact O-N 2.91Å; S42-E46 PolarHBondContact OG-OE1 3.15Å; L43-E46 HydrophobicContact CD1-CG 4.29Å; E46-S48 PolarHBondContact O-N 3.46Å; E46-S48 VanDerWaalsContact O-N 3.12Å; E46-L49 WeakPolarHBondContact O-CB 3.41Å; E46-L49 PolarHBondContact O-N 2.9Å; E46-A50 PolarHBondContact O-N 3.48Å
47	P	94.6	Very high	95.8	Very high	85 Å²	85	95 Å²	95	55%	0.552	51%	0.507	S	S	*	.	H	α-helix	trans	-57.9	-32.4	-178.7	23.3	-33.6	0	0	0	112.1	L49 A50 Y51	P47-L49 VanDerWaalsContact C-N 3.29Å; P47-L49 PolarHBondContact O-N 3.28Å; P47-A50 WeakPolarHBondContact O-CB 3.4Å; P47-A50 PolarHBondContact O-N 2.97Å; P47-Y51 WeakPolarHBondContact O-CD2 3.2Å; P47-Y51 PolarHBondContact O-N 3.43Å; P47-Y51 VanDerWaalsContact O-N 3.09Å
48	S	94.8	Very high	95.8	Very high	83 Å²	83	96.2 Å²	96.2	58%	0.58	51%	0.508	S	S	*	.	H	α-helix	trans	-59.6	-36.4	175.2	52.9	0	0	0	0	113.1	E46 Y51 F52	E46-S48 PolarHBondContact O-N 3.46Å; E46-S48 VanDerWaalsContact O-N 3.12Å; S48-Y51 PolarHBondContact O-N 2.93Å; S48-F52 PolarHBondContact O-N 3.35Å; S48-F52 VanDerWaalsContact O-N 3.1Å
49	L	95.4	Very high	95.9	Very high	64 Å²	64	97.6 Å²	97.6	34%	0.335	51%	0.505	S	S	.	.	H	α-helix	trans	-71.1	-37.2	178	-175.6	60.9	0	0	0	111.3	E46 P47 F52 H53	E46-L49 WeakPolarHBondContact O-CB 3.41Å; E46-L49 PolarHBondContact O-N 2.9Å; P47-L49 VanDerWaalsContact C-N 3.29Å; P47-L49 PolarHBondContact O-N 3.28Å; L49-F52 HydrophobicContact CD1-CD1 4.36Å; L49-F52 WeakPolarHBondContact O-CB 3.43Å; L49-F52 PolarHBondContact O-N 3.38Å; L49-H53 PolarHBondContact O-N 3Å
50	A	95.9	Very high	96.1	Very high	52 Å²	52	98.1 Å²	98.1	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-43.5	173.5	0	0	0	0	0	111.8	E46 P47 F52 H53 I54	E46-A50 PolarHBondContact O-N 3.48Å; P47-A50 WeakPolarHBondContact O-CB 3.4Å; P47-A50 PolarHBondContact O-N 2.97Å; A50-F52 VanDerWaalsContact C-N 3.32Å; A50-F52 PolarHBondContact O-N 3.25Å; A50-H53 PolarHBondContact O-N 3.17Å; A50-I54 WeakPolarHBondContact O-CG1 3.49Å; A50-I54 PolarHBondContact O-N 3.1Å
51	Y	97	Very high	96.1	Very high	167 Å²	167	94.5 Å²	94.5	66%	0.655	49%	0.487	S	S	*	.	H	α-helix	trans	-60	-40.9	173.7	-75	-65.3	0	0	0	112.3	P47 S48 I54 Q55	P47-Y51 WeakPolarHBondContact O-CD2 3.2Å; P47-Y51 PolarHBondContact O-N 3.43Å; P47-Y51 VanDerWaalsContact O-N 3.09Å; S48-Y51 PolarHBondContact O-N 2.93Å; Y51-I54 PolarHBondContact O-N 2.93Å; Y51-Q55 WeakPolarHBondContact O-CB 3.36Å; Y51-Q55 PolarHBondContact O-N 3.34Å
52	F	96.7	Very high	96.3	Very high	115 Å²	115	93.9 Å²	93.9	50%	0.504	48%	0.483	S	S	.	.	H	α-helix	trans	-60.7	-44.8	175.1	174.8	-98.5	0	0	0	112.1	S48 L49 A50 I54 Q55 E56	S48-F52 PolarHBondContact O-N 3.35Å; S48-F52 VanDerWaalsContact O-N 3.1Å; L49-F52 HydrophobicContact CD1-CD1 4.36Å; L49-F52 WeakPolarHBondContact O-CB 3.43Å; L49-F52 PolarHBondContact O-N 3.38Å; A50-F52 VanDerWaalsContact C-N 3.32Å; A50-F52 PolarHBondContact O-N 3.25Å; F52-I54 PolarHBondContact O-N 2.97Å; F52-Q55 PolarHBondContact O-N 3.34Å; F52-E56 VanDerWaalsContact O-CB 3.26Å; F52-E56 WeakPolarHBondContact O-CB 3.49Å; F52-E56 PolarHBondContact O-N 3.16Å
53	H	96.8	Very high	96.4	Very high	114 Å²	114	94 Å²	94	53%	0.528	48%	0.482	S	S	.	.	H	α-helix	trans	-61.4	-42.3	175.9	-69.1	161.5	0	0	0	112.7	L49 A50 E56 H57	L49-H53 PolarHBondContact O-N 3Å; A50-H53 PolarHBondContact O-N 3.17Å; H53-E56 PolarHBondContact O-N 3.45Å; H53-H57 WeakPolarHBondContact O-CB 3.46Å; H53-H57 PolarHBondContact O-N 2.94Å
54	I	98	Very high	96.6	Very high	94 Å²	94	92.5 Å²	92.5	48%	0.482	47%	0.472	S	S	.	.	H	α-helix	trans	-63.9	-48.4	176.8	-67.3	164.9	0	0	0	110.4	A50 Y51 F52 E56 H57 I58	A50-I54 WeakPolarHBondContact O-CG1 3.49Å; A50-I54 PolarHBondContact O-N 3.1Å; Y51-I54 PolarHBondContact O-N 2.93Å; F52-I54 PolarHBondContact O-N 2.97Å; I54-E56 VanDerWaalsContact C-N 3.3Å; I54-E56 PolarHBondContact O-N 2.83Å; I54-H57 WeakPolarHBondContact O-CB 3.09Å; I54-H57 PolarHBondContact O-N 3.35Å; I54-I58 HydrophobicContact CG2-CD1 3.78Å; I54-I58 HydrophobicContact CG2-CG1 4.42Å; I54-I58 WeakPolarHBondContact O-CG1 3.49Å; I54-I58 PolarHBondContact O-N 3.45Å
55	Q	98	Very high	96.9	Very high	136 Å²	136	93.6 Å²	93.6	64%	0.636	47%	0.469	S	S	*	.	H	α-helix	trans	-58.9	-43.9	178.8	-178.2	-179.4	-2.3	0	0	111.2	Y51 F52 I58 R59	Y51-Q55 WeakPolarHBondContact O-CB 3.36Å; Y51-Q55 PolarHBondContact O-N 3.34Å; F52-Q55 PolarHBondContact O-N 3.34Å; Q55-I58 PolarHBondContact O-N 2.69Å; Q55-R59 WeakPolarHBondContact O-CB 3.49Å; Q55-R59 PolarHBondContact O-N 3.31Å
56	E	98.2	Very high	97.1	Very high	46 Å²	46	91.9 Å²	91.9	22%	0.215	46%	0.459	C	S	.	.	H	α-helix	trans	-66.8	-38.1	178.2	-178.3	65.8	176.5	0	0	112.1	F52 H53 I54 R59 K60	F52-E56 VanDerWaalsContact O-CB 3.26Å; F52-E56 WeakPolarHBondContact O-CB 3.49Å; F52-E56 PolarHBondContact O-N 3.16Å; H53-E56 PolarHBondContact O-N 3.45Å; I54-E56 VanDerWaalsContact C-N 3.3Å; I54-E56 PolarHBondContact O-N 2.83Å; E56-R59 PolarHBondContact O-N 2.9Å; E56-R59 IonicContact OE1-CZ 3.38Å; E56-R59 IonicContact OE1-NE 3.3Å; E56-R59 IonicContact OE1-NH2 3.85Å; E56-R59 PolarHBondContact OE1-NH2 2.97Å; E56-R59 IonicContact OE2-CZ 3.86Å; E56-R59 VanDerWaalsContact OE2-CZ 3.3Å; E56-R59 IonicContact OE2-NE 2.69Å; E56-R59 PolarHBondContact OE2-NE 3.34Å; E56-R59 IonicContact OE2-NH2 3.02Å; E56-R59 PolarHBondContact OE2-NH2 2.88Å; E56-R59 VanDerWaalsContact OE2-NH2 3.08Å; E56-K60 HydrophobicContact CG-CD 4.22Å; E56-K60 WeakPolarHBondContact O-CB 3.27Å; E56-K60 VanDerWaalsContact O-CG 3.3Å; E56-K60 WeakPolarHBondContact O-CG 3.39Å; E56-K60 PolarHBondContact O-N 2.99Å; E56-K60 WeakPolarHBondContact OE1-CE 3.27Å; E56-K60 IonicContact OE1-NZ 3.7Å; E56-K60 PolarHBondContact OE1-NZ 3.45Å; E56-K60 VanDerWaalsContact OE1-NZ 3.08Å
57	H	98.4	Very high	97.3	Very high	129 Å²	129	94.6 Å²	94.6	60%	0.597	47%	0.47	S	S	*	.	H	α-helix	trans	-62.6	-47.3	173	174.5	-92.3	0	0	0	111.5	H53 I54 R59 K60 S61	H53-H57 WeakPolarHBondContact O-CB 3.46Å; H53-H57 PolarHBondContact O-N 2.94Å; I54-H57 WeakPolarHBondContact O-CB 3.09Å; I54-H57 PolarHBondContact O-N 3.35Å; H57-R59 VanDerWaalsContact C-N 3.34Å; H57-R59 PolarHBondContact O-N 2.76Å; H57-K60 PolarHBondContact O-N 3.15Å; H57-S61 WeakPolarHBondContact O-CB 3.35Å; H57-S61 PolarHBondContact O-N 2.96Å; H57-S61 PolarHBondContact O-OG 2.9Å; H57-S61 VanDerWaalsContact O-OG 3.13Å
58	I	98.5	Very high	97.4	Very high	83 Å²	83	97.3 Å²	97.3	43%	0.426	47%	0.47	S	S	.	.	H	α-helix	trans	-58.9	-47.5	175.6	-68.7	168.1	0	0	0	110.1	I54 Q55 K60 S61 I62	I54-I58 HydrophobicContact CG2-CD1 3.78Å; I54-I58 HydrophobicContact CG2-CG1 4.42Å; I54-I58 WeakPolarHBondContact O-CG1 3.49Å; I54-I58 PolarHBondContact O-N 3.45Å; Q55-I58 PolarHBondContact O-N 2.69Å; I58-K60 VanDerWaalsContact C-N 3.27Å; I58-K60 PolarHBondContact O-N 2.86Å; I58-S61 PolarHBondContact O-N 3.23Å; I58-S61 PolarHBondContact O-OG 3.32Å; I58-I62 HydrophobicContact CG2-CD1 3.46Å; I58-I62 VanDerWaalsContact CG2-CD1 3.46Å; I58-I62 HydrophobicContact CG2-CG1 4.09Å; I58-I62 WeakPolarHBondContact O-CB 3.38Å; I58-I62 VanDerWaalsContact O-CG1 3.24Å; I58-I62 WeakPolarHBondContact O-CG1 3.36Å; I58-I62 PolarHBondContact O-N 2.89Å
59	R	98.2	Very high	97.6	Very high	139 Å²	139	98.7 Å²	98.7	53%	0.525	47%	0.468	S	S	.	.	H	α-helix	trans	-59.7	-37.8	178.6	-169.3	-167.3	65.6	73.4	-2.6	112.2	Q55 E56 H57 P63	Q55-R59 WeakPolarHBondContact O-CB 3.49Å; Q55-R59 PolarHBondContact O-N 3.31Å; E56-R59 PolarHBondContact O-N 2.9Å; E56-R59 IonicContact OE1-CZ 3.38Å; E56-R59 IonicContact OE1-NE 3.3Å; E56-R59 IonicContact OE1-NH2 3.85Å; E56-R59 PolarHBondContact OE1-NH2 2.97Å; E56-R59 IonicContact OE2-CZ 3.86Å; E56-R59 VanDerWaalsContact OE2-CZ 3.3Å; E56-R59 IonicContact OE2-NE 2.69Å; E56-R59 PolarHBondContact OE2-NE 3.34Å; E56-R59 IonicContact OE2-NH2 3.02Å; E56-R59 PolarHBondContact OE2-NH2 2.88Å; E56-R59 VanDerWaalsContact OE2-NH2 3.08Å; H57-R59 VanDerWaalsContact C-N 3.34Å; H57-R59 PolarHBondContact O-N 2.76Å; R59-P63 WeakPolarHBondContact O-CD 3.37Å
60	K	97.8	Very high	97.7	Very high	125 Å²	125	101.1 Å²	101.1	54%	0.543	48%	0.48	S	S	.	.	H	α-helix	trans	-75.9	-34.4	177.7	-76.1	171.6	175.7	158.2	0	113.2	E56 H57 I58	E56-K60 HydrophobicContact CG-CD 4.22Å; E56-K60 WeakPolarHBondContact O-CB 3.27Å; E56-K60 VanDerWaalsContact O-CG 3.3Å; E56-K60 WeakPolarHBondContact O-CG 3.39Å; E56-K60 PolarHBondContact O-N 2.99Å; E56-K60 WeakPolarHBondContact OE1-CE 3.27Å; E56-K60 IonicContact OE1-NZ 3.7Å; E56-K60 PolarHBondContact OE1-NZ 3.45Å; E56-K60 VanDerWaalsContact OE1-NZ 3.08Å; H57-K60 PolarHBondContact O-N 3.15Å; I58-K60 VanDerWaalsContact C-N 3.27Å; I58-K60 PolarHBondContact O-N 2.86Å
61	S	97.8	Very high	97.8	Very high	33 Å²	33	104.8 Å²	104.8	23%	0.231	49%	0.486	C	S	.	.	H	α-helix	trans	-83.1	-32.9	-175.9	66.5	0	0	0	0	113.5	H57 I58 E64 I65	H57-S61 WeakPolarHBondContact O-CB 3.35Å; H57-S61 PolarHBondContact O-N 2.96Å; H57-S61 PolarHBondContact O-OG 2.9Å; H57-S61 VanDerWaalsContact O-OG 3.13Å; I58-S61 PolarHBondContact O-N 3.23Å; I58-S61 PolarHBondContact O-OG 3.32Å; S61-E64 PolarHBondContact O-N 3.26Å; S61-E64 VanDerWaalsContact O-N 3.17Å; S61-I65 WeakPolarHBondContact O-CG1 3.41Å; S61-I65 PolarHBondContact O-N 3.07Å
62	I	98.2	Very high	97.9	Very high	80 Å²	80	102.1 Å²	102.1	41%	0.41	48%	0.483	S	S	.	.	H	α-helix	trans	-53.1	-48.8	-179.1	-76.7	168.6	0	0	0	112.9	I58 E64 I65 L66	I58-I62 HydrophobicContact CG2-CD1 3.46Å; I58-I62 VanDerWaalsContact CG2-CD1 3.46Å; I58-I62 HydrophobicContact CG2-CG1 4.09Å; I58-I62 WeakPolarHBondContact O-CB 3.38Å; I58-I62 VanDerWaalsContact O-CG1 3.24Å; I58-I62 WeakPolarHBondContact O-CG1 3.36Å; I58-I62 PolarHBondContact O-N 2.89Å; I62-E64 VanDerWaalsContact C-N 3.29Å; I62-E64 PolarHBondContact O-N 3.37Å; I62-I65 PolarHBondContact O-N 2.97Å; I62-L66 HydrophobicContact CG2-CD1 3.72Å; I62-L66 HydrophobicContact CG2-CG 4.12Å; I62-L66 WeakPolarHBondContact O-CG 3.45Å; I62-L66 PolarHBondContact O-N 3.35Å
63	P	97.5	Very high	98	Very high	62 Å²	62	102.8 Å²	102.8	40%	0.403	49%	0.487	S	S	.	.	H	α-helix	trans	-59.8	-37.6	-179.5	-26.1	35.1	0	0	0	113.5	R59 K67	R59-P63 WeakPolarHBondContact O-CD 3.37Å; P63-K67 WeakPolarHBondContact O-CG 3.07Å; P63-K67 PolarHBondContact O-N 2.88Å; P63-K67 VanDerWaalsContact O-N 3.12Å
64	E	96.7	Very high	98	Very high	87 Å²	87	102.9 Å²	102.9	41%	0.407	49%	0.488	S	S	.	.	H	α-helix	trans	-69.1	-43.5	176.2	-67.4	-55.9	126.4	0	0	111.3	S61 I62 L66 K67 Y68	S61-E64 PolarHBondContact O-N 3.26Å; S61-E64 VanDerWaalsContact O-N 3.17Å; I62-E64 VanDerWaalsContact C-N 3.29Å; I62-E64 PolarHBondContact O-N 3.37Å; E64-L66 VanDerWaalsContact C-N 3.32Å; E64-L66 PolarHBondContact O-N 3.24Å; E64-K67 WeakPolarHBondContact O-CB 3.28Å; E64-K67 PolarHBondContact O-N 3.26Å; E64-K67 IonicContact OE1-NZ 3.7Å; E64-K67 PolarHBondContact OE1-NZ 2.97Å; E64-K67 IonicContact OE2-NZ 2.69Å; E64-Y68 WeakPolarHBondContact O-CD2 3.26Å; E64-Y68 PolarHBondContact O-N 3.39Å
65	I	98.1	Very high	98	Very high	85 Å²	85	102.7 Å²	102.7	44%	0.436	49%	0.487	S	S	.	.	H	α-helix	trans	-59.5	-44.2	175.9	-65.2	164.6	0	0	0	110.6	S61 I62 K67 Y68 Q69	S61-I65 WeakPolarHBondContact O-CG1 3.41Å; S61-I65 PolarHBondContact O-N 3.07Å; I62-I65 PolarHBondContact O-N 2.97Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-K67 PolarHBondContact O-N 2.79Å; I65-Y68 PolarHBondContact O-N 2.96Å; I65-Y68 VanDerWaalsContact O-N 3.17Å; I65-Q69 HydrophobicContact CG2-CG 4.45Å; I65-Q69 WeakPolarHBondContact O-CG 3.35Å; I65-Q69 PolarHBondContact O-N 3.48Å
66	L	98.3	Very high	98.1	Very high	86 Å²	86	99 Å²	99	45%	0.45	47%	0.472	S	S	.	.	H	α-helix	trans	-61.8	-39.7	177.5	-72.5	174.5	0	0	0	112.3	I62 E64 Y68 Q69 L70	I62-L66 HydrophobicContact CG2-CD1 3.72Å; I62-L66 HydrophobicContact CG2-CG 4.12Å; I62-L66 WeakPolarHBondContact O-CG 3.45Å; I62-L66 PolarHBondContact O-N 3.35Å; E64-L66 VanDerWaalsContact C-N 3.32Å; E64-L66 PolarHBondContact O-N 3.24Å; L66-Y68 VanDerWaalsContact C-N 3.31Å; L66-Y68 PolarHBondContact O-N 3.46Å; L66-Q69 PolarHBondContact O-N 2.95Å; L66-L70 WeakPolarHBondContact O-CG 3.33Å; L66-L70 PolarHBondContact O-N 3.46Å
67	K	97.8	Very high	98	Very high	122 Å²	122	100.7 Å²	100.7	53%	0.53	49%	0.488	S	S	.	.	H	α-helix	trans	-58.8	-43.3	173.9	-72.2	170.5	-174.6	173.6	0	111.7	P63 E64 I65 K71	P63-K67 WeakPolarHBondContact O-CG 3.07Å; P63-K67 PolarHBondContact O-N 2.88Å; P63-K67 VanDerWaalsContact O-N 3.12Å; E64-K67 WeakPolarHBondContact O-CB 3.28Å; E64-K67 PolarHBondContact O-N 3.26Å; E64-K67 IonicContact OE1-NZ 3.7Å; E64-K67 PolarHBondContact OE1-NZ 2.97Å; E64-K67 IonicContact OE2-NZ 2.69Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-K67 PolarHBondContact O-N 2.79Å; K67-K71 WeakPolarHBondContact O-CB 3.49Å; K67-K71 PolarHBondContact O-N 3.02Å
68	Y	97.8	Very high	98	Very high	142 Å²	142	99.6 Å²	99.6	56%	0.557	48%	0.484	S	S	*	.	H	α-helix	trans	-68.4	-38.8	177	-69.3	-65.4	0	0	0	112.3	E64 I65 L66 K71 I72	E64-Y68 WeakPolarHBondContact O-CD2 3.26Å; E64-Y68 PolarHBondContact O-N 3.39Å; I65-Y68 PolarHBondContact O-N 2.96Å; I65-Y68 VanDerWaalsContact O-N 3.17Å; L66-Y68 VanDerWaalsContact C-N 3.31Å; L66-Y68 PolarHBondContact O-N 3.46Å; Y68-K71 PolarHBondContact O-N 3.46Å; Y68-I72 VanDerWaalsContact O-CG1 3.25Å; Y68-I72 WeakPolarHBondContact O-CG1 3.34Å; Y68-I72 PolarHBondContact O-N 3.4Å
69	Q	98.2	Very high	98	Very high	111 Å²	111	100.8 Å²	100.8	52%	0.519	49%	0.49	S	S	.	.	H	α-helix	trans	-60.3	-48.2	175.5	-74.5	-177.4	-18.3	0	0	111.8	I65 L66 K71 I72 E73	I65-Q69 HydrophobicContact CG2-CG 4.45Å; I65-Q69 WeakPolarHBondContact O-CG 3.35Å; I65-Q69 PolarHBondContact O-N 3.48Å; L66-Q69 PolarHBondContact O-N 2.95Å; Q69-K71 VanDerWaalsContact C-N 3.29Å; Q69-K71 PolarHBondContact O-N 2.94Å; Q69-I72 PolarHBondContact O-N 2.97Å; Q69-I72 VanDerWaalsContact O-N 3.15Å; Q69-E73 PolarHBondContact O-N 2.86Å
70	L	97.9	Very high	98	Very high	115 Å²	115	101 Å²	101	60%	0.602	49%	0.491	S	S	*	.	H	α-helix	trans	-60.7	-38.6	175.5	-70.2	173.5	0	0	0	112.2	L66 E73 H74	L66-L70 WeakPolarHBondContact O-CG 3.33Å; L66-L70 PolarHBondContact O-N 3.46Å; L70-E73 PolarHBondContact O-N 2.8Å; L70-H74 WeakPolarHBondContact O-CB 3.24Å; L70-H74 PolarHBondContact O-N 3.25Å
71	K	98.2	Very high	98	Very high	129 Å²	129	96.5 Å²	96.5	56%	0.561	48%	0.48	S	S	*	.	H	α-helix	trans	-64.7	-41.6	175.4	-175.1	177.3	179.5	-179.7	0	111.8	K67 Y68 Q69 H74 L75	K67-K71 WeakPolarHBondContact O-CB 3.49Å; K67-K71 PolarHBondContact O-N 3.02Å; Y68-K71 PolarHBondContact O-N 3.46Å; Q69-K71 VanDerWaalsContact C-N 3.29Å; Q69-K71 PolarHBondContact O-N 2.94Å; K71-H74 PolarHBondContact O-N 3.45Å; K71-L75 HydrophobicContact CG-CD1 4.23Å; K71-L75 WeakPolarHBondContact O-CB 3.33Å; K71-L75 VanDerWaalsContact O-CG 3.3Å; K71-L75 WeakPolarHBondContact O-CG 3.45Å; K71-L75 PolarHBondContact O-N 2.89Å
72	I	98.4	Very high	98	Very high	112 Å²	112	98.4 Å²	98.4	57%	0.574	49%	0.493	S	S	*	.	H	α-helix	trans	-64	-45.8	177	-71.4	163.6	0	0	0	110.1	Y68 Q69 H74 L75 D76	Y68-I72 VanDerWaalsContact O-CG1 3.25Å; Y68-I72 WeakPolarHBondContact O-CG1 3.34Å; Y68-I72 PolarHBondContact O-N 3.4Å; Q69-I72 PolarHBondContact O-N 2.97Å; Q69-I72 VanDerWaalsContact O-N 3.15Å; I72-H74 VanDerWaalsContact C-N 3.34Å; I72-H74 PolarHBondContact O-N 3.22Å; I72-L75 PolarHBondContact O-N 3.04Å; I72-D76 WeakPolarHBondContact O-CB 3.3Å; I72-D76 PolarHBondContact O-N 3.42Å
73	E	98.3	Very high	98	Very high	129 Å²	129	97.3 Å²	97.3	60%	0.603	49%	0.492	S	S	*	.	H	α-helix	trans	-59.9	-44	177.6	-173.8	-178.1	177.4	0	0	111.8	Q69 L70 L75 D76 S77	Q69-E73 PolarHBondContact O-N 2.86Å; L70-E73 PolarHBondContact O-N 2.8Å; E73-L75 PolarHBondContact O-N 2.93Å; E73-D76 PolarHBondContact O-N 3.5Å; E73-S77 PolarHBondContact O-N 2.88Å
74	H	98.1	Very high	98	Very high	116 Å²	116	102.1 Å²	102.1	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-62.6	-42.8	176.2	-178.7	57.3	0	0	0	112.6	L70 K71 I72 S77 Q78	L70-H74 WeakPolarHBondContact O-CB 3.24Å; L70-H74 PolarHBondContact O-N 3.25Å; K71-H74 PolarHBondContact O-N 3.45Å; I72-H74 VanDerWaalsContact C-N 3.34Å; I72-H74 PolarHBondContact O-N 3.22Å; H74-S77 PolarHBondContact O-N 3.26Å; H74-Q78 PolarHBondContact CD2-NE2 2.73Å; H74-Q78 PolarHBondContact CE1-NE2 3.49Å; H74-Q78 PolarHBondContact NE2-NE2 3.46Å; H74-Q78 WeakPolarHBondContact O-CG 3.3Å; H74-Q78 PolarHBondContact O-N 3.45Å; H74-Q78 VanDerWaalsContact O-N 3.09Å
75	L	98.3	Very high	98.1	Very high	90 Å²	90	103.5 Å²	103.5	47%	0.471	51%	0.514	S	S	.	.	H	α-helix	trans	-67.7	-39.6	177.3	-73.1	172.1	0	0	0	112.1	K71 I72 E73 S77 Q78 L79	K71-L75 HydrophobicContact CG-CD1 4.23Å; K71-L75 WeakPolarHBondContact O-CB 3.33Å; K71-L75 VanDerWaalsContact O-CG 3.3Å; K71-L75 WeakPolarHBondContact O-CG 3.45Å; K71-L75 PolarHBondContact O-N 2.89Å; I72-L75 PolarHBondContact O-N 3.04Å; E73-L75 PolarHBondContact O-N 2.93Å; L75-S77 VanDerWaalsContact C-N 3.35Å; L75-Q78 PolarHBondContact O-N 2.93Å; L75-L79 WeakPolarHBondContact O-CB 3.05Å; L75-L79 PolarHBondContact O-N 3.1Å
76	D	98.4	Very high	98.1	Very high	59 Å²	59	104.9 Å²	104.9	32%	0.316	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-41.9	175.4	-179.9	57.2	0	0	0	111	I72 E73 Q78 L79 R80	I72-D76 WeakPolarHBondContact O-CB 3.3Å; I72-D76 PolarHBondContact O-N 3.42Å; E73-D76 PolarHBondContact O-N 3.5Å; D76-Q78 PolarHBondContact O-N 3.45Å; D76-L79 PolarHBondContact O-N 3.31Å; D76-R80 WeakPolarHBondContact O-CB 3.49Å; D76-R80 VanDerWaalsContact O-CG 3.3Å; D76-R80 WeakPolarHBondContact O-CG 3.39Å; D76-R80 PolarHBondContact O-N 3.04Å; D76-R80 IonicContact OD1-CZ 2.63Å; D76-R80 IonicContact OD1-NE 2.97Å; D76-R80 PolarHBondContact OD1-NE 2.69Å; D76-R80 IonicContact OD1-NH2 2.73Å; D76-R80 IonicContact OD2-CZ 2.87Å; D76-R80 IonicContact OD2-NE 3.95Å; D76-R80 PolarHBondContact OD2-NE 3.38Å; D76-R80 IonicContact OD2-NH1 2.9Å; D76-R80 IonicContact OD2-NH2 3.94Å; D76-R80 PolarHBondContact OD2-NH2 3.02Å
77	S	97.9	Very high	98.1	Very high	80 Å²	80	105 Å²	105	56%	0.559	52%	0.522	S	S	*	.	H	α-helix	trans	-61.3	-41.7	173.4	-176	0	0	0	0	112.7	E73 H74 L75 G81	E73-S77 PolarHBondContact O-N 2.88Å; H74-S77 PolarHBondContact O-N 3.26Å; L75-S77 VanDerWaalsContact C-N 3.35Å; S77-G81 PolarHBondContact O-N 3.01Å
78	Q	98.2	Very high	98.1	Very high	107 Å²	107	106.8 Å²	106.8	50%	0.5	53%	0.527	S	S	.	.	H	α-helix	trans	-66.3	-43.1	176.5	-74.5	-176.2	59.1	0	0	111.9	H74 L75 D76 R80 G81 S82	H74-Q78 PolarHBondContact CD2-NE2 2.73Å; H74-Q78 PolarHBondContact CE1-NE2 3.49Å; H74-Q78 PolarHBondContact NE2-NE2 3.46Å; H74-Q78 WeakPolarHBondContact O-CG 3.3Å; H74-Q78 PolarHBondContact O-N 3.45Å; H74-Q78 VanDerWaalsContact O-N 3.09Å; L75-Q78 PolarHBondContact O-N 2.93Å; D76-Q78 PolarHBondContact O-N 3.45Å; Q78-R80 PolarHBondContact O-N 2.92Å; Q78-G81 PolarHBondContact O-N 3.21Å; Q78-S82 PolarHBondContact O-N 2.9Å
79	L	98.4	Very high	98.1	Very high	108 Å²	108	102.3 Å²	102.3	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-60	-47.2	177.5	178.3	63	0	0	0	110.7	L75 D76 G81 S82 C83	L75-L79 WeakPolarHBondContact O-CB 3.05Å; L75-L79 PolarHBondContact O-N 3.1Å; D76-L79 PolarHBondContact O-N 3.31Å; L79-G81 VanDerWaalsContact C-N 3.34Å; L79-G81 PolarHBondContact O-N 3.18Å; L79-S82 PolarHBondContact O-N 3.4Å; L79-C83 PolarHBondContact O-N 3.45Å; L79-C83 PolarHBondContact O-SG 3.49Å; L79-C83 VanDerWaalsContact O-SG 3.32Å
80	R	98.3	Very high	98.1	Very high	143 Å²	143	100.8 Å²	100.8	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-59.4	-44.1	175.8	-71.1	176.5	-167.8	-172.6	3.6	111.8	D76 Q78 S82 C83 Y84	D76-R80 WeakPolarHBondContact O-CB 3.49Å; D76-R80 VanDerWaalsContact O-CG 3.3Å; D76-R80 WeakPolarHBondContact O-CG 3.39Å; D76-R80 PolarHBondContact O-N 3.04Å; D76-R80 IonicContact OD1-CZ 2.63Å; D76-R80 IonicContact OD1-NE 2.97Å; D76-R80 PolarHBondContact OD1-NE 2.69Å; D76-R80 IonicContact OD1-NH2 2.73Å; D76-R80 IonicContact OD2-CZ 2.87Å; D76-R80 IonicContact OD2-NE 3.95Å; D76-R80 PolarHBondContact OD2-NE 3.38Å; D76-R80 IonicContact OD2-NH1 2.9Å; D76-R80 IonicContact OD2-NH2 3.94Å; D76-R80 PolarHBondContact OD2-NH2 3.02Å; Q78-R80 PolarHBondContact O-N 2.92Å; R80-S82 PolarHBondContact O-N 3.07Å; R80-C83 WeakPolarHBondContact O-CB 3.47Å; R80-C83 PolarHBondContact O-N 3.02Å; R80-Y84 HydrophobicContact CB-CE2 4.27Å; R80-Y84 WeakPolarHBondContact O-CD2 3.35Å; R80-Y84 PolarHBondContact O-N 3.46Å
81	G	97.5	Very high	98.1	Very high	30 Å²	30	99.5 Å²	99.5	31%	0.309	51%	0.508	S	S	.	.	H	α-helix	trans	-54.4	-49.1	173.1	0	0	0	0	0	112.5	S77 Q78 L79 C83 Y84 D85	S77-G81 PolarHBondContact O-N 3.01Å; Q78-G81 PolarHBondContact O-N 3.21Å; L79-G81 VanDerWaalsContact C-N 3.34Å; L79-G81 PolarHBondContact O-N 3.18Å; G81-C83 VanDerWaalsContact C-N 3.32Å; G81-C83 PolarHBondContact O-N 3.09Å; G81-Y84 PolarHBondContact O-N 3.25Å; G81-D85 PolarHBondContact O-N 3.25Å; G81-D85 VanDerWaalsContact O-N 3.09Å
82	S	97.7	Very high	98.1	Very high	73 Å²	73	96.3 Å²	96.3	51%	0.51	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-33.1	177.4	-174	0	0	0	0	113.4	Q78 L79 R80 L86	Q78-S82 PolarHBondContact O-N 2.9Å; L79-S82 PolarHBondContact O-N 3.4Å; R80-S82 PolarHBondContact O-N 3.07Å; S82-L86 WeakPolarHBondContact O-CB 3.35Å; S82-L86 PolarHBondContact O-N 2.94Å
83	C	98	Very high	98.1	Very high	58 Å²	58	95.5 Å²	95.5	39%	0.392	50%	0.497	S	S	.	.	H	α-helix	trans	-65.6	-42.6	173.9	-70.3	0	0	0	0	111.2	L79 R80 G81 D85 L86 D87	L79-C83 PolarHBondContact O-N 3.45Å; L79-C83 PolarHBondContact O-SG 3.49Å; L79-C83 VanDerWaalsContact O-SG 3.32Å; R80-C83 WeakPolarHBondContact O-CB 3.47Å; R80-C83 PolarHBondContact O-N 3.02Å; G81-C83 VanDerWaalsContact C-N 3.32Å; G81-C83 PolarHBondContact O-N 3.09Å; C83-D85 PolarHBondContact O-N 3Å; C83-L86 PolarHBondContact O-N 3.36Å; C83-D87 PolarHBondContact O-N 3.27Å
84	Y	98.3	Very high	98	Very high	163 Å²	163	93.9 Å²	93.9	64%	0.639	49%	0.488	S	S	*	.	H	α-helix	trans	-62.2	-42.8	175.8	-66.3	-54	0	0	0	112.4	R80 G81 L86 D87 Y88	R80-Y84 HydrophobicContact CB-CE2 4.27Å; R80-Y84 WeakPolarHBondContact O-CD2 3.35Å; R80-Y84 PolarHBondContact O-N 3.46Å; G81-Y84 PolarHBondContact O-N 3.25Å; Y84-L86 VanDerWaalsContact C-N 3.31Å; Y84-L86 PolarHBondContact O-N 2.93Å; Y84-D87 PolarHBondContact O-N 2.96Å; Y84-Y88 WeakPolarHBondContact O-CB 3.35Å; Y84-Y88 PolarHBondContact O-N 3.45Å
85	D	98.4	Very high	98	Very high	116 Å²	116	91.2 Å²	91.2	62%	0.62	48%	0.483	S	S	*	.	H	α-helix	trans	-62.3	-39.2	175.3	-71.3	-27.5	0	0	0	111.8	G81 C83 A89	G81-D85 PolarHBondContact O-N 3.25Å; G81-D85 VanDerWaalsContact O-N 3.09Å; C83-D85 PolarHBondContact O-N 3Å; D85-A89 WeakPolarHBondContact O-CB 3.34Å; D85-A89 PolarHBondContact O-N 2.92Å
86	L	98.2	Very high	97.9	Very high	114 Å²	114	91.8 Å²	91.8	60%	0.597	49%	0.485	S	S	*	.	H	α-helix	trans	-66.6	-46.2	176.6	177.8	62.3	0	0	0	111.9	S82 C83 Y84 Y88 A89 L90	S82-L86 WeakPolarHBondContact O-CB 3.35Å; S82-L86 PolarHBondContact O-N 2.94Å; C83-L86 PolarHBondContact O-N 3.36Å; Y84-L86 VanDerWaalsContact C-N 3.31Å; Y84-L86 PolarHBondContact O-N 2.93Å; L86-Y88 VanDerWaalsContact C-N 3.3Å; L86-Y88 PolarHBondContact O-N 2.94Å; L86-A89 PolarHBondContact O-N 3.44Å; L86-L90 VanDerWaalsContact O-CB 3.28Å; L86-L90 WeakPolarHBondContact O-CB 3.46Å; L86-L90 PolarHBondContact O-N 3.4Å
87	D	98.1	Very high	97.9	Very high	87 Å²	87	92.8 Å²	92.8	47%	0.465	50%	0.497	S	S	.	.	H	α-helix	trans	-61.8	-41.5	177.6	-75	-27.5	0	0	0	110.6	C83 Y84 L90 D91	C83-D87 PolarHBondContact O-N 3.27Å; Y84-D87 PolarHBondContact O-N 2.96Å; D87-L90 PolarHBondContact O-N 3.32Å; D87-D91 WeakPolarHBondContact O-CB 3.32Å; D87-D91 PolarHBondContact O-N 2.9Å
88	Y	98.2	Very high	97.8	Very high	161 Å²	161	96.5 Å²	96.5	63%	0.631	50%	0.503	S	S	*	.	H	α-helix	trans	-62.2	-45.9	173.8	-174.8	-104.2	0	0	0	112.2	Y84 L86 L90 D91 N92	Y84-Y88 WeakPolarHBondContact O-CB 3.35Å; Y84-Y88 PolarHBondContact O-N 3.45Å; L86-Y88 VanDerWaalsContact C-N 3.3Å; L86-Y88 PolarHBondContact O-N 2.94Å; Y88-L90 VanDerWaalsContact C-N 3.33Å; Y88-L90 PolarHBondContact O-N 3.33Å; Y88-D91 PolarHBondContact O-N 3.45Å; Y88-N92 WeakPolarHBondContact CD1-ND2 3.39Å; Y88-N92 WeakPolarHBondContact CE1-ND2 3.48Å; Y88-N92 WeakPolarHBondContact O-CB 3.49Å; Y88-N92 PolarHBondContact O-N 3.45Å; Y88-N92 PolarHBondContact O-ND2 3.5Å
89	A	98	Very high	97.8	Very high	47 Å²	47	92.8 Å²	92.8	39%	0.388	49%	0.491	S	S	.	.	H	α-helix	trans	-62.1	-41.2	175.9	0	0	0	0	0	111.8	D85 L86 N92 V93	D85-A89 WeakPolarHBondContact O-CB 3.34Å; D85-A89 PolarHBondContact O-N 2.92Å; L86-A89 PolarHBondContact O-N 3.44Å; A89-N92 WeakPolarHBondContact O-CB 3.42Å; A89-N92 PolarHBondContact O-N 3.25Å; A89-V93 WeakPolarHBondContact O-CG2 3.35Å; A89-V93 PolarHBondContact O-N 3.32Å
90	L	98	Very high	97.7	Very high	79 Å²	79	90.6 Å²	90.6	41%	0.414	48%	0.481	S	S	.	.	H	α-helix	trans	-64.1	-44.3	178.1	179.5	64.2	0	0	0	111.3	L86 D87 Y88 N92 V93 K94	L86-L90 VanDerWaalsContact O-CB 3.28Å; L86-L90 WeakPolarHBondContact O-CB 3.46Å; L86-L90 PolarHBondContact O-N 3.4Å; D87-L90 PolarHBondContact O-N 3.32Å; Y88-L90 VanDerWaalsContact C-N 3.33Å; Y88-L90 PolarHBondContact O-N 3.33Å; L90-N92 VanDerWaalsContact C-N 3.34Å; L90-V93 PolarHBondContact O-N 2.88Å; L90-K94 WeakPolarHBondContact O-CG 3.25Å; L90-K94 PolarHBondContact O-N 3.27Å
91	D	97.8	Very high	97.6	Very high	89 Å²	89	89.7 Å²	89.7	48%	0.476	49%	0.486	S	S	.	.	H	α-helix	trans	-67.4	-35.4	177.8	-76.9	-10.4	0	0	0	112.1	D87 Y88 K94 S95	D87-D91 WeakPolarHBondContact O-CB 3.32Å; D87-D91 PolarHBondContact O-N 2.9Å; Y88-D91 PolarHBondContact O-N 3.45Å; D91-K94 PolarHBondContact O-N 3.19Å; D91-K94 IonicContact OD1-NZ 3.08Å; D91-K94 PolarHBondContact OD1-NZ 2.95Å; D91-S95 WeakPolarHBondContact O-CB 3.43Å; D91-S95 PolarHBondContact O-N 2.88Å
92	N	97.6	Very high	97.6	Very high	62 Å²	62	94.4 Å²	94.4	33%	0.332	50%	0.5	S	S	.	.	H	α-helix	trans	-60.6	-47	169.6	-70.4	-23.4	0	0	0	111.5	Y88 A89 L90 K94 S95 I96	Y88-N92 WeakPolarHBondContact CD1-ND2 3.39Å; Y88-N92 WeakPolarHBondContact CE1-ND2 3.48Å; Y88-N92 WeakPolarHBondContact O-CB 3.49Å; Y88-N92 PolarHBondContact O-N 3.45Å; Y88-N92 PolarHBondContact O-ND2 3.5Å; A89-N92 WeakPolarHBondContact O-CB 3.42Å; A89-N92 PolarHBondContact O-N 3.25Å; L90-N92 VanDerWaalsContact C-N 3.34Å; N92-K94 PolarHBondContact O-N 3.05Å; N92-S95 PolarHBondContact O-N 2.95Å; N92-S95 VanDerWaalsContact O-N 3.16Å; N92-S95 PolarHBondContact O-OG 3.37Å; N92-I96 WeakPolarHBondContact O-CG1 3.3Å; N92-I96 PolarHBondContact O-N 3.2Å
93	V	97.9	Very high	97.6	Very high	94 Å²	94	97 Å²	97	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-61.7	-42.9	176.8	171.3	0	0	0	0	111.4	A89 L90 S95 I96 S97	A89-V93 WeakPolarHBondContact O-CG2 3.35Å; A89-V93 PolarHBondContact O-N 3.32Å; L90-V93 PolarHBondContact O-N 2.88Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-S95 PolarHBondContact O-N 2.91Å; V93-I96 PolarHBondContact O-N 3.04Å; V93-S97 WeakPolarHBondContact O-CB 3.5Å; V93-S97 PolarHBondContact O-N 2.92Å
94	K	97.7	Very high	97.6	Very high	95 Å²	95	98.6 Å²	98.6	41%	0.413	51%	0.507	S	S	.	.	H	α-helix	trans	-61.6	-40.2	174.2	-71.1	172.7	-166.5	149.5	0	111.6	L90 D91 N92 S97 K98	L90-K94 WeakPolarHBondContact O-CG 3.25Å; L90-K94 PolarHBondContact O-N 3.27Å; D91-K94 PolarHBondContact O-N 3.19Å; D91-K94 IonicContact OD1-NZ 3.08Å; D91-K94 PolarHBondContact OD1-NZ 2.95Å; N92-K94 PolarHBondContact O-N 3.05Å; K94-S97 WeakPolarHBondContact O-CB 3.42Å; K94-S97 PolarHBondContact O-N 3.09Å; K94-K98 WeakPolarHBondContact O-CG 3.46Å; K94-K98 PolarHBondContact O-N 3.29Å
95	S	97.1	Very high	97.6	Very high	61 Å²	61	98.4 Å²	98.4	43%	0.427	51%	0.505	S	S	.	.	H	α-helix	trans	-64.3	-41.4	178.1	81.6	0	0	0	0	111.8	D91 N92 V93 K98 A99	D91-S95 WeakPolarHBondContact O-CB 3.43Å; D91-S95 PolarHBondContact O-N 2.88Å; N92-S95 PolarHBondContact O-N 2.95Å; N92-S95 VanDerWaalsContact O-N 3.16Å; N92-S95 PolarHBondContact O-OG 3.37Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-S95 PolarHBondContact O-N 2.91Å; S95-K98 PolarHBondContact O-N 3.08Å; S95-A99 WeakPolarHBondContact O-CB 3.43Å; S95-A99 PolarHBondContact O-N 3.47Å
96	I	96.9	Very high	97.6	Very high	102 Å²	102	97.2 Å²	97.2	52%	0.523	50%	0.498	S	S	.	.	H	α-helix	trans	-65.2	-42.8	175.2	-67.4	165.8	0	0	0	110.5	N92 V93 K98 A99 T100	N92-I96 WeakPolarHBondContact O-CG1 3.3Å; N92-I96 PolarHBondContact O-N 3.2Å; V93-I96 PolarHBondContact O-N 3.04Å; I96-K98 VanDerWaalsContact C-N 3.34Å; I96-K98 PolarHBondContact O-N 3.47Å; I96-A99 PolarHBondContact O-N 3.05Å; I96-A99 VanDerWaalsContact O-N 3.15Å; I96-T100 PolarHBondContact O-N 3.47Å; I96-T100 PolarHBondContact O-OG1 3.45Å
97	S	97.1	Very high	97.5	Very high	80 Å²	80	95.2 Å²	95.2	56%	0.559	49%	0.488	S	S	*	.	H	α-helix	trans	-58.8	-45	175.3	-176.5	0	0	0	0	111.3	V93 K94 A99 T100	V93-S97 WeakPolarHBondContact O-CB 3.5Å; V93-S97 PolarHBondContact O-N 2.92Å; K94-S97 WeakPolarHBondContact O-CB 3.42Å; K94-S97 PolarHBondContact O-N 3.09Å; S97-A99 PolarHBondContact O-N 3.17Å; S97-T100 WeakPolarHBondContact O-CB 3.44Å; S97-T100 PolarHBondContact O-N 2.91Å; S97-T100 PolarHBondContact O-OG1 3.36Å
98	K	96.7	Very high	97.6	Very high	157 Å²	157	95.2 Å²	95.2	68%	0.683	49%	0.485	S	S	*	.	H	α-helix	trans	-62	-42	173.2	-70.3	172.9	-178.1	178.7	0	112.2	K94 S95 I96 T100	K94-K98 WeakPolarHBondContact O-CG 3.46Å; K94-K98 PolarHBondContact O-N 3.29Å; S95-K98 PolarHBondContact O-N 3.08Å; I96-K98 VanDerWaalsContact C-N 3.34Å; I96-K98 PolarHBondContact O-N 3.47Å; K98-T100 PolarHBondContact O-N 3.09Å
99	A	97.2	Very high	97.5	Very high	30 Å²	30	91.9 Å²	91.9	25%	0.248	48%	0.478	C	S	.	.	H	α-helix	trans	-68.1	-17.8	179.3	0	0	0	0	0	113.9	S95 I96 S97 I101 H102 F103	S95-A99 WeakPolarHBondContact O-CB 3.43Å; S95-A99 PolarHBondContact O-N 3.47Å; I96-A99 PolarHBondContact O-N 3.05Å; I96-A99 VanDerWaalsContact O-N 3.15Å; S97-A99 PolarHBondContact O-N 3.17Å; A99-I101 PolarHBondContact O-N 3.44Å; A99-H102 WeakPolarHBondContact O-CB 3.49Å; A99-H102 PolarHBondContact O-N 2.84Å; A99-F103 HydrophobicContact CB-CD2 4.26Å; A99-F103 HydrophobicContact CB-CE2 3.78Å; A99-F103 VanDerWaalsContact O-CD2 3.26Å; A99-F103 WeakPolarHBondContact O-CD2 3.35Å; A99-F103 PolarHBondContact O-N 3.45Å; A99-F103 VanDerWaalsContact O-N 3.1Å
100	T	97.3	Very high	97.6	Very high	61 Å²	61	95 Å²	95	37%	0.374	49%	0.487	S	S	.	.	H	α-helix	trans	-54.9	-34.6	179.5	-61.3	0	0	0	0	112.9	I96 S97 K98 H102 F103 N104	I96-T100 PolarHBondContact O-N 3.47Å; I96-T100 PolarHBondContact O-OG1 3.45Å; S97-T100 WeakPolarHBondContact O-CB 3.44Å; S97-T100 PolarHBondContact O-N 2.91Å; S97-T100 PolarHBondContact O-OG1 3.36Å; K98-T100 PolarHBondContact O-N 3.09Å; T100-H102 VanDerWaalsContact C-N 3.34Å; T100-H102 PolarHBondContact O-N 3.48Å; T100-F103 PolarHBondContact O-N 3.24Å; T100-N104 PolarHBondContact O-N 3.44Å; T100-N104 PolarHBondContact O-ND2 3.21Å
101	I	95.8	Very high	97.6	Very high	125 Å²	125	96.1 Å²	96.1	64%	0.641	49%	0.488	S	S	*	.	H	α-helix	trans	-62.7	-42.3	176.4	-62	171.4	0	0	0	110.9	A99 N104 R105	A99-I101 PolarHBondContact O-N 3.44Å; I101-N104 PolarHBondContact O-N 3.38Å; I101-R105 PolarHBondContact O-N 2.98Å
102	H	97.5	Very high	97.6	Very high	129 Å²	129	95.3 Å²	95.3	60%	0.597	49%	0.49	S	S	*	.	H	α-helix	trans	-68.6	-41.3	178	-59.2	-59.5	0	0	0	111.3	A99 T100 N104 R105 I106	A99-H102 WeakPolarHBondContact O-CB 3.49Å; A99-H102 PolarHBondContact O-N 2.84Å; T100-H102 VanDerWaalsContact C-N 3.34Å; T100-H102 PolarHBondContact O-N 3.48Å; H102-N104 VanDerWaalsContact C-N 3.32Å; H102-N104 PolarHBondContact O-N 3.48Å; H102-R105 PolarHBondContact O-N 3.32Å; H102-I106 VanDerWaalsContact O-CG1 3.27Å; H102-I106 WeakPolarHBondContact O-CG1 3.32Å; H102-I106 PolarHBondContact O-N 3.1Å
103	F	97.9	Very high	97.6	Very high	126 Å²	126	96.1 Å²	96.1	55%	0.553	50%	0.5	S	S	*	.	H	α-helix	trans	-59.6	-42.8	174	-68.1	-57.1	0	0	0	112.1	A99 T100 I106 N107	A99-F103 HydrophobicContact CB-CD2 4.26Å; A99-F103 HydrophobicContact CB-CE2 3.78Å; A99-F103 VanDerWaalsContact O-CD2 3.26Å; A99-F103 WeakPolarHBondContact O-CD2 3.35Å; A99-F103 PolarHBondContact O-N 3.45Å; A99-F103 VanDerWaalsContact O-N 3.1Å; T100-F103 PolarHBondContact O-N 3.24Å; F103-I106 PolarHBondContact O-N 3.42Å; F103-N107 WeakPolarHBondContact O-CB 3.34Å; F103-N107 PolarHBondContact O-N 3.03Å
104	N	97.9	Very high	97.6	Very high	92 Å²	92	96.6 Å²	96.6	49%	0.492	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-42.6	174.5	-74.1	-27.6	0	0	0	111.8	T100 I101 H102 N107 E108	T100-N104 PolarHBondContact O-N 3.44Å; T100-N104 PolarHBondContact O-ND2 3.21Å; I101-N104 PolarHBondContact O-N 3.38Å; H102-N104 VanDerWaalsContact C-N 3.32Å; H102-N104 PolarHBondContact O-N 3.48Å; N104-N107 WeakPolarHBondContact O-CB 3.44Å; N104-N107 PolarHBondContact O-N 2.99Å; N104-E108 WeakPolarHBondContact O-CG 3.24Å; N104-E108 PolarHBondContact O-N 3.38Å
105	R	97.7	Very high	97.6	Very high	160 Å²	160	98.1 Å²	98.1	60%	0.604	51%	0.506	S	S	*	.	H	α-helix	trans	-63.6	-43.1	177	-177.7	57.1	174.7	176.2	0.1	112.3	I101 H102 N107 E108 L109	I101-R105 PolarHBondContact O-N 2.98Å; H102-R105 PolarHBondContact O-N 3.32Å; R105-N107 VanDerWaalsContact C-N 3.31Å; R105-N107 PolarHBondContact O-N 3.17Å; R105-E108 PolarHBondContact O-N 2.84Å; R105-L109 HydrophobicContact CG-CD1 4.32Å; R105-L109 WeakPolarHBondContact O-CG 3.33Å; R105-L109 PolarHBondContact O-N 2.97Å
106	I	98.2	Very high	97.6	Very high	91 Å²	91	97.2 Å²	97.2	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-59.5	-45.2	174.8	-69	164.7	0	0	0	109.7	H102 F103 E108 L109 L110	H102-I106 VanDerWaalsContact O-CG1 3.27Å; H102-I106 WeakPolarHBondContact O-CG1 3.32Å; H102-I106 PolarHBondContact O-N 3.1Å; F103-I106 PolarHBondContact O-N 3.42Å; I106-E108 PolarHBondContact O-N 3.25Å; I106-L109 PolarHBondContact O-N 3.36Å; I106-L110 HydrophobicContact CG2-CD1 4.02Å; I106-L110 HydrophobicContact CG2-CG 4.39Å; I106-L110 WeakPolarHBondContact O-CG 3.33Å; I106-L110 PolarHBondContact O-N 3.25Å
107	N	97.9	Very high	97.7	Very high	72 Å²	72	97.7 Å²	97.7	39%	0.385	50%	0.5	S	S	.	.	H	α-helix	trans	-59.7	-44.3	177.5	-172.5	42.6	0	0	0	112.6	F103 N104 R105 L110 K111	F103-N107 WeakPolarHBondContact O-CB 3.34Å; F103-N107 PolarHBondContact O-N 3.03Å; N104-N107 WeakPolarHBondContact O-CB 3.44Å; N104-N107 PolarHBondContact O-N 2.99Å; R105-N107 VanDerWaalsContact C-N 3.31Å; R105-N107 PolarHBondContact O-N 3.17Å; N107-L110 PolarHBondContact O-N 3.15Å; N107-K111 WeakPolarHBondContact ND2-CE 3.05Å; N107-K111 PolarHBondContact ND2-NZ 3.48Å; N107-K111 WeakPolarHBondContact O-CG 3.38Å; N107-K111 PolarHBondContact O-N 3.42Å
108	E	98.2	Very high	97.7	Very high	86 Å²	86	98.4 Å²	98.4	40%	0.402	50%	0.497	S	S	.	.	H	α-helix	trans	-66.4	-37.8	177.3	-67	-48.3	124.4	0	0	113.2	N104 R105 I106 K111 S112	N104-E108 WeakPolarHBondContact O-CG 3.24Å; N104-E108 PolarHBondContact O-N 3.38Å; R105-E108 PolarHBondContact O-N 2.84Å; I106-E108 PolarHBondContact O-N 3.25Å; E108-K111 PolarHBondContact O-N 2.86Å; E108-K111 IonicContact OE1-NZ 3.88Å; E108-K111 PolarHBondContact OE1-NZ 3.42Å; E108-K111 IonicContact OE2-NZ 2.7Å; E108-S112 WeakPolarHBondContact O-CB 3.39Å; E108-S112 PolarHBondContact O-N 3.47Å; E108-S112 PolarHBondContact O-OG 3.18Å
109	L	98	Very high	97.6	Very high	92 Å²	92	96 Å²	96	48%	0.482	49%	0.489	S	S	.	.	H	α-helix	trans	-64.7	-41.4	173.4	-70.9	172.1	0	0	0	111.7	R105 I106 S112 S113	R105-L109 HydrophobicContact CG-CD1 4.32Å; R105-L109 WeakPolarHBondContact O-CG 3.33Å; R105-L109 PolarHBondContact O-N 2.97Å; I106-L109 PolarHBondContact O-N 3.36Å; L109-S112 PolarHBondContact O-N 3.06Å; L109-S113 WeakPolarHBondContact O-CB 3.3Å; L109-S113 PolarHBondContact O-N 2.87Å
110	L	98.4	Very high	97.6	Very high	111 Å²	111	100 Å²	100	58%	0.581	51%	0.505	S	S	*	.	H	α-helix	trans	-62.8	-44.4	175.9	-72.5	174.1	0	0	0	111.8	I106 N107 S112 S113 L114	I106-L110 HydrophobicContact CG2-CD1 4.02Å; I106-L110 HydrophobicContact CG2-CG 4.39Å; I106-L110 WeakPolarHBondContact O-CG 3.33Å; I106-L110 PolarHBondContact O-N 3.25Å; N107-L110 PolarHBondContact O-N 3.15Å; L110-S112 VanDerWaalsContact C-N 3.35Å; L110-S112 PolarHBondContact O-N 2.92Å; L110-S113 PolarHBondContact O-N 3.12Å; L110-L114 WeakPolarHBondContact O-CB 3.17Å; L110-L114 PolarHBondContact O-N 3.17Å
111	K	98.1	Very high	97.5	Very high	103 Å²	103	99 Å²	99	45%	0.448	50%	0.498	S	S	.	.	H	α-helix	trans	-59.7	-44.8	174	-70.8	172.3	-172.7	168.6	0	111.8	N107 E108 L114 F115	N107-K111 WeakPolarHBondContact ND2-CE 3.05Å; N107-K111 PolarHBondContact ND2-NZ 3.48Å; N107-K111 WeakPolarHBondContact O-CG 3.38Å; N107-K111 PolarHBondContact O-N 3.42Å; E108-K111 PolarHBondContact O-N 2.86Å; E108-K111 IonicContact OE1-NZ 3.88Å; E108-K111 PolarHBondContact OE1-NZ 3.42Å; E108-K111 IonicContact OE2-NZ 2.7Å; K111-L114 PolarHBondContact O-N 3.44Å; K111-F115 WeakPolarHBondContact O-CB 3.49Å; K111-F115 PolarHBondContact O-N 2.99Å
112	S	97.9	Very high	97.5	Very high	72 Å²	72	100.6 Å²	100.6	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-62.6	-45.1	179.3	-58	0	0	0	0	111.7	E108 L109 L110 F115 A116	E108-S112 WeakPolarHBondContact O-CB 3.39Å; E108-S112 PolarHBondContact O-N 3.47Å; E108-S112 PolarHBondContact O-OG 3.18Å; L109-S112 PolarHBondContact O-N 3.06Å; L110-S112 VanDerWaalsContact C-N 3.35Å; L110-S112 PolarHBondContact O-N 2.92Å; S112-F115 PolarHBondContact O-N 3.3Å; S112-A116 PolarHBondContact O-N 3.2Å
113	S	98.2	Very high	97.3	Very high	80 Å²	80	97 Å²	97	56%	0.559	49%	0.49	S	S	*	.	H	α-helix	trans	-63.9	-41	176.6	-175.5	0	0	0	0	112.1	L109 L110 A116 K117	L109-S113 WeakPolarHBondContact O-CB 3.3Å; L109-S113 PolarHBondContact O-N 2.87Å; L110-S113 PolarHBondContact O-N 3.12Å; S113-A116 PolarHBondContact O-N 3.22Å; S113-K117 WeakPolarHBondContact O-CB 3.39Å; S113-K117 PolarHBondContact O-N 3.17Å
114	L	98.1	Very high	97.1	Very high	104 Å²	104	97.4 Å²	97.4	55%	0.545	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-44.5	177.1	179.2	61.5	0	0	0	111.1	L110 K111 K117 L118	L110-L114 WeakPolarHBondContact O-CB 3.17Å; L110-L114 PolarHBondContact O-N 3.17Å; K111-L114 PolarHBondContact O-N 3.44Å; L114-K117 WeakPolarHBondContact O-CB 3.08Å; L114-K117 PolarHBondContact O-N 3.02Å; L114-L118 HydrophobicContact CG-CD1 4.35Å; L114-L118 WeakPolarHBondContact O-CG 3.37Å; L114-L118 PolarHBondContact O-N 3.41Å
115	F	97.9	Very high	96.8	Very high	126 Å²	126	99.4 Å²	99.4	55%	0.553	50%	0.495	S	S	*	.	H	α-helix	trans	-62.3	-45.5	177.1	-179.8	-107.5	0	0	0	112.1	K111 S112 K117 L118 Q119	K111-F115 WeakPolarHBondContact O-CB 3.49Å; K111-F115 PolarHBondContact O-N 2.99Å; S112-F115 PolarHBondContact O-N 3.3Å; F115-K117 VanDerWaalsContact C-N 3.3Å; F115-K117 PolarHBondContact O-N 3.18Å; F115-L118 PolarHBondContact O-N 3.33Å; F115-L118 VanDerWaalsContact O-N 3.17Å; F115-Q119 HydrophobicContact CD1-CG 4.34Å; F115-Q119 VanDerWaalsContact CE1-CD 3.4Å; F115-Q119 HydrophobicContact CE1-CG 4.04Å; F115-Q119 HydrophobicContact CE2-CG 4.4Å; F115-Q119 HydrophobicContact CZ-CG 4.07Å; F115-Q119 WeakPolarHBondContact O-CG 3.03Å; F115-Q119 PolarHBondContact O-N 2.87Å
116	A	97.5	Very high	96.4	Very high	42 Å²	42	94.8 Å²	94.8	35%	0.347	48%	0.483	S	S	.	.	H	α-helix	trans	-58.6	-41.9	175.2	0	0	0	0	0	111.8	S112 S113 Q119 L120	S112-A116 PolarHBondContact O-N 3.2Å; S113-A116 PolarHBondContact O-N 3.22Å; A116-Q119 PolarHBondContact O-N 3.13Å; A116-L120 WeakPolarHBondContact O-CG 3.48Å; A116-L120 PolarHBondContact O-N 2.89Å
117	K	97.6	Very high	95.9	Very high	112 Å²	112	92.7 Å²	92.7	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-61.2	-45.5	175.3	-174.1	-88.3	-172.1	-172.9	0	111.7	S113 L114 F115 L120 D121	S113-K117 WeakPolarHBondContact O-CB 3.39Å; S113-K117 PolarHBondContact O-N 3.17Å; L114-K117 WeakPolarHBondContact O-CB 3.08Å; L114-K117 PolarHBondContact O-N 3.02Å; F115-K117 VanDerWaalsContact C-N 3.3Å; F115-K117 PolarHBondContact O-N 3.18Å; K117-L120 PolarHBondContact O-N 3.47Å; K117-D121 VanDerWaalsContact CD-OD2 3.31Å; K117-D121 WeakPolarHBondContact CD-OD2 3.39Å; K117-D121 WeakPolarHBondContact CE-OD2 3.45Å; K117-D121 IonicContact NZ-OD2 3.86Å; K117-D121 PolarHBondContact NZ-OD2 2.69Å; K117-D121 PolarHBondContact O-N 3.27Å
118	L	97.4	Very high	95.2	Very high	95 Å²	95	94.2 Å²	94.2	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-63.1	-40.7	177.4	-70.7	171.1	0	0	0	112.2	L114 F115 D121 Y122	L114-L118 HydrophobicContact CG-CD1 4.35Å; L114-L118 WeakPolarHBondContact O-CG 3.37Å; L114-L118 PolarHBondContact O-N 3.41Å; F115-L118 PolarHBondContact O-N 3.33Å; F115-L118 VanDerWaalsContact O-N 3.17Å; L118-D121 PolarHBondContact O-N 3.39Å; L118-Y122 WeakPolarHBondContact O-CB 3.26Å; L118-Y122 PolarHBondContact O-N 3.38Å
119	Q	96.2	Very high	94.2	Very high	106 Å²	106	93 Å²	93	50%	0.495	49%	0.488	S	S	.	.	H	α-helix	trans	-61.6	-44	174.8	-73	-172.9	-26.2	0	0	112.1	F115 A116 Y122 A123	F115-Q119 HydrophobicContact CD1-CG 4.34Å; F115-Q119 VanDerWaalsContact CE1-CD 3.4Å; F115-Q119 HydrophobicContact CE1-CG 4.04Å; F115-Q119 HydrophobicContact CE2-CG 4.4Å; F115-Q119 HydrophobicContact CZ-CG 4.07Å; F115-Q119 WeakPolarHBondContact O-CG 3.03Å; F115-Q119 PolarHBondContact O-N 2.87Å; A116-Q119 PolarHBondContact O-N 3.13Å; Q119-Y122 PolarHBondContact O-N 3.38Å; Q119-A123 WeakPolarHBondContact O-CB 3.33Å; Q119-A123 PolarHBondContact O-N 3.31Å
120	L	96.2	Very high	92.8	Very high	114 Å²	114	95.3 Å²	95.3	60%	0.597	50%	0.496	S	S	*	.	H	α-helix	trans	-64.7	-41.5	177.6	-72.4	174.4	0	0	0	112.1	A116 K117 A123 R124	A116-L120 WeakPolarHBondContact O-CG 3.48Å; A116-L120 PolarHBondContact O-N 2.89Å; K117-L120 PolarHBondContact O-N 3.47Å; L120-A123 PolarHBondContact O-N 3.24Å; L120-R124 VanDerWaalsContact O-CB 3.29Å; L120-R124 WeakPolarHBondContact O-CB 3.46Å; L120-R124 PolarHBondContact O-N 3.48Å
121	D	95.7	Very high	91.5	Very high	40 Å²	40	96.9 Å²	96.9	21%	0.214	50%	0.498	C	S	.	.	H	α-helix	trans	-65.6	-41.5	176.4	-75.1	-16	0	0	0	111.6	K117 L118 R124 M125	K117-D121 VanDerWaalsContact CD-OD2 3.31Å; K117-D121 WeakPolarHBondContact CD-OD2 3.39Å; K117-D121 WeakPolarHBondContact CE-OD2 3.45Å; K117-D121 IonicContact NZ-OD2 3.86Å; K117-D121 PolarHBondContact NZ-OD2 2.69Å; K117-D121 PolarHBondContact O-N 3.27Å; L118-D121 PolarHBondContact O-N 3.39Å; D121-R124 WeakPolarHBondContact O-CB 3.28Å; D121-R124 PolarHBondContact O-N 3.43Å; D121-R124 IonicContact OD1-CZ 3.83Å; D121-R124 IonicContact OD1-NH1 2.86Å; D121-R124 PolarHBondContact OD1-NH1 2.92Å; D121-M125 WeakPolarHBondContact O-CG 3.43Å; D121-M125 PolarHBondContact O-N 2.86Å
122	Y	95	Very high	89.7	Confident	159 Å²	159	97.2 Å²	97.2	62%	0.624	50%	0.501	S	S	*	.	H	α-helix	trans	-62	-46.9	174.8	-178.2	-101.4	0	0	0	112	L118 Q119 R124 M125 N126	L118-Y122 WeakPolarHBondContact O-CB 3.26Å; L118-Y122 PolarHBondContact O-N 3.38Å; Q119-Y122 PolarHBondContact O-N 3.38Å; Y122-R124 VanDerWaalsContact C-N 3.3Å; Y122-R124 PolarHBondContact O-N 3.24Å; Y122-M125 PolarHBondContact O-N 3.21Å; Y122-N126 WeakPolarHBondContact CE1-ND2 3.29Å; Y122-N126 VanDerWaalsContact CZ-ND2 3.29Å; Y122-N126 PolarHBondContact O-N 3.09Å
123	A	93.6	Very high	87.8	Confident	55 Å²	55	97.8 Å²	97.8	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-61.3	-38.3	175.2	0	0	0	0	0	112	Q119 L120 N126 A127	Q119-A123 WeakPolarHBondContact O-CB 3.33Å; Q119-A123 PolarHBondContact O-N 3.31Å; L120-A123 PolarHBondContact O-N 3.24Å; A123-N126 PolarHBondContact O-N 2.95Å; A123-A127 WeakPolarHBondContact O-CB 3.28Å; A123-A127 PolarHBondContact O-N 3.43Å
124	R	94	Very high	85.7	Confident	134 Å²	134	103.7 Å²	103.7	51%	0.506	52%	0.515	S	S	.	.	H	α-helix	trans	-63.5	-46.9	175.2	-174.5	-174.2	-67.6	134.3	2.3	111.4	L120 D121 Y122 N126 A127 L128	L120-R124 VanDerWaalsContact O-CB 3.29Å; L120-R124 WeakPolarHBondContact O-CB 3.46Å; L120-R124 PolarHBondContact O-N 3.48Å; D121-R124 WeakPolarHBondContact O-CB 3.28Å; D121-R124 PolarHBondContact O-N 3.43Å; D121-R124 IonicContact OD1-CZ 3.83Å; D121-R124 IonicContact OD1-NH1 2.86Å; D121-R124 PolarHBondContact OD1-NH1 2.92Å; Y122-R124 VanDerWaalsContact C-N 3.3Å; Y122-R124 PolarHBondContact O-N 3.24Å; R124-N126 VanDerWaalsContact C-N 3.32Å; R124-N126 PolarHBondContact O-N 2.89Å; R124-A127 PolarHBondContact O-N 2.88Å; R124-L128 HydrophobicContact CG-CD1 4.23Å; R124-L128 WeakPolarHBondContact O-CG 3.34Å; R124-L128 PolarHBondContact O-N 3.24Å
125	M	91.4	Very high	83.6	Confident	133 Å²	133	105.6 Å²	105.6	66%	0.655	52%	0.521	S	S	*	.	H	α-helix	trans	-60.4	-41.9	177.8	-70.8	-177.9	73.9	0	0	111.8	D121 Y122 L128 S129	D121-M125 WeakPolarHBondContact O-CG 3.43Å; D121-M125 PolarHBondContact O-N 2.86Å; Y122-M125 PolarHBondContact O-N 3.21Å; M125-L128 PolarHBondContact O-N 3.02Å; M125-S129 PolarHBondContact O-N 3.47Å; M125-S129 VanDerWaalsContact O-N 3.14Å
126	N	88.7	Confident	81.4	Confident	63 Å²	63	109 Å²	109	34%	0.337	53%	0.53	S	S	.	.	H	α-helix	trans	-68.2	-34.5	176.2	-69.6	-13.4	0	0	0	113.1	Y122 A123 R124 S129 H130	Y122-N126 WeakPolarHBondContact CE1-ND2 3.29Å; Y122-N126 VanDerWaalsContact CZ-ND2 3.29Å; Y122-N126 PolarHBondContact O-N 3.09Å; A123-N126 PolarHBondContact O-N 2.95Å; R124-N126 VanDerWaalsContact C-N 3.32Å; R124-N126 PolarHBondContact O-N 2.89Å; N126-S129 PolarHBondContact O-OG 2.7Å; N126-H130 PolarHBondContact O-N 3.47Å
127	A	88.9	Confident	79	Confident	47 Å²	47	118.1 Å²	118.1	39%	0.388	56%	0.556	S	S	.	*	H	α-helix	trans	-70.6	-34.3	176.2	0	0	0	0	0	112.3	A123 R124 K131	A123-A127 WeakPolarHBondContact O-CB 3.28Å; A123-A127 PolarHBondContact O-N 3.43Å; R124-A127 PolarHBondContact O-N 2.88Å; A127-K131 WeakPolarHBondContact O-CG 3.31Å; A127-K131 PolarHBondContact O-N 3.08Å; A127-K131 VanDerWaalsContact O-N 3.08Å
128	L	83.4	Confident	76.6	Confident	105 Å²	105	116.7 Å²	116.7	55%	0.55	56%	0.559	S	S	.	*	H	α-helix	trans	-69.5	-42.3	176.6	-69.1	172.3	0	0	0	111.6	R124 M125 H130 K131 E132	R124-L128 HydrophobicContact CG-CD1 4.23Å; R124-L128 WeakPolarHBondContact O-CG 3.34Å; R124-L128 PolarHBondContact O-N 3.24Å; M125-L128 PolarHBondContact O-N 3.02Å; L128-H130 VanDerWaalsContact C-N 3.33Å; L128-H130 PolarHBondContact O-N 3.08Å; L128-K131 PolarHBondContact O-N 3.12Å; L128-E132 PolarHBondContact O-N 2.71Å
129	S	76.3	Confident	74.3	Confident	60 Å²	60	118.4 Å²	118.4	42%	0.42	57%	0.574	S	S	.	*	H	α-helix	trans	-64.8	-35.6	176.1	65.8	0	0	0	0	112.9	M125 N126 S133	M125-S129 PolarHBondContact O-N 3.47Å; M125-S129 VanDerWaalsContact O-N 3.14Å; N126-S129 PolarHBondContact O-OG 2.7Å; S129-S133 PolarHBondContact O-N 3.37Å; S129-S133 PolarHBondContact O-OG 2.93Å
130	H	69.9	Low	72	Confident	140 Å²	140	122 Å²	122	65%	0.648	59%	0.591	S	S	*	*	H	α-helix	trans	-70.7	-35.5	174	-94.4	-62.2	0	0	0	113.6	N126 L128 R134	N126-H130 PolarHBondContact O-N 3.47Å; L128-H130 VanDerWaalsContact C-N 3.33Å; L128-H130 PolarHBondContact O-N 3.08Å; H130-R134 PolarHBondContact O-N 3.24Å
131	K	70.1	Confident	69	Low	145 Å²	145	127.1 Å²	127.1	63%	0.63	60%	0.602	S	S	*	*	H	α-helix	trans	-67.8	-44.1	175.3	-77.4	179.8	-179	-174.9	0	111.5	A127 L128 S133 R134 E135	A127-K131 WeakPolarHBondContact O-CG 3.31Å; A127-K131 PolarHBondContact O-N 3.08Å; A127-K131 VanDerWaalsContact O-N 3.08Å; L128-K131 PolarHBondContact O-N 3.12Å; K131-S133 VanDerWaalsContact C-N 3.26Å; K131-S133 PolarHBondContact O-N 3.42Å; K131-R134 PolarHBondContact O-N 3.1Å; K131-E135 PolarHBondContact O-N 2.73Å
132	E	60	Low	66.7	Low	110 Å²	110	132 Å²	132	51%	0.514	63%	0.629	S	S	.	*	H	α-helix	trans	-62.2	-35.7	178.2	-162.2	-178.9	164.9	0	0	111.9	L128 R134 R136	L128-E132 PolarHBondContact O-N 2.71Å; E132-R134 PolarHBondContact O-N 3.01Å; E132-R136 IonicContact OE1-CZ 3.08Å; E132-R136 IonicContact OE1-NH2 2.71Å; E132-R136 PolarHBondContact OE1-NH2 3.23Å
133	S	57.4	Low	64	Low	83 Å²	83	134.2 Å²	134.2	58%	0.58	64%	0.644	S	S	*	*	H	α-helix	trans	-71.5	-26.2	176	-57.4	0	0	0	0	113.7	S129 K131	S129-S133 PolarHBondContact O-N 3.37Å; S129-S133 PolarHBondContact O-OG 2.93Å; K131-S133 VanDerWaalsContact C-N 3.26Å; K131-S133 PolarHBondContact O-N 3.42Å
134	R	55.7	Low	61.4	Low	205 Å²	205	134.9 Å²	134.9	77%	0.774	66%	0.657	S	S	*	*	H	α-helix	trans	-87.8	-32.5	-179	-135.7	178.6	-170.4	-175.5	2.5	112.4	H130 K131 E132 R137 S138	H130-R134 PolarHBondContact O-N 3.24Å; K131-R134 PolarHBondContact O-N 3.1Å; E132-R134 PolarHBondContact O-N 3.01Å; R134-R137 PolarHBondContact O-N 3.39Å; R134-S138 PolarHBondContact O-OG 3.43Å
135	E	53	Low	59.2	Low	144 Å²	144	135.2 Å²	135.2	67%	0.673	67%	0.673	S	S	*	*	H	α-helix	trans	-68.1	-35.8	178.1	-165.7	163.4	-176.6	0	0	111.8	K131 R137 S138	K131-E135 PolarHBondContact O-N 2.73Å; E135-R137 PolarHBondContact O-N 2.94Å; E135-R137 VanDerWaalsContact O-N 3.11Å; E135-S138 PolarHBondContact O-N 2.92Å; E135-S138 PolarHBondContact O-OG 2.87Å
136	R	50.9	Low	56.7	Low	198 Å²	198	137 Å²	137	75%	0.747	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-9.7	173.7	-65.3	-171.9	-168.3	178.9	7.5	114.7	E132	E132-R136 IonicContact OE1-CZ 3.08Å; E132-R136 IonicContact OE1-NH2 2.71Å; E132-R136 PolarHBondContact OE1-NH2 3.23Å
137	R	48.6	Very low	54.8	Low	233 Å²	233	140.5 Å²	140.5	88%	0.879	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	-4.3	-177.6	-123.2	178.9	-157.7	168	6.5	114.6	R134 E135	R134-R137 PolarHBondContact O-N 3.39Å; E135-R137 PolarHBondContact O-N 2.94Å; E135-R137 VanDerWaalsContact O-N 3.11Å
138	S	46.3	Very low	52.3	Low	81 Å²	81	145.1 Å²	145.1	57%	0.566	72%	0.722	S	S	*	*			trans	-111.2	2.1	-171	34	0	0	0	0	115.4	R134 E135 Q140	R134-S138 PolarHBondContact O-OG 3.43Å; E135-S138 PolarHBondContact O-N 2.92Å; E135-S138 PolarHBondContact O-OG 2.87Å; S138-Q140 PolarHBondContact O-N 3.19Å
139	T	49.4	Very low	50.5	Low	132 Å²	132	150.2 Å²	150.2	81%	0.81	74%	0.74	S	S	*	*	S	Bend	trans	-76.1	23.9	175.7	-32.3	0	0	0	0	114.4
140	Q	48.5	Very low	48.6	Very low	180 Å²	180	152.6 Å²	152.6	84%	0.841	76%	0.757	S	S	*	*	S	Bend	trans	-147.1	58.1	178.9	-157.3	-175	30.2	0	0	112.5	S138	S138-Q140 PolarHBondContact O-N 3.19Å
141	R	33.3	Very low	47.3	Very low	223 Å²	223	151.8 Å²	151.8	84%	0.842	77%	0.767	S	S	*	*	S	Bend	trans	173.9	133.3	144.9	-107.5	174	169.8	175.4	-3.2	112
142	N	45.6	Very low	45.6	Very low	143 Å²	143	155.9 Å²	155.9	77%	0.765	78%	0.778	S	S	*	*			trans	90.6	92.7	153.8	-56.8	-10.7	0	0	0	116.9
143	E	38.7	Very low	44.5	Very low	204 Å²	204	157.8 Å²	157.8	95%	0.953	79%	0.792	S	S	*	*			trans	-57.8	135.2	144	-56.9	-162	160.3	0	0	109.8
144	G	39.8	Very low	43.9	Very low	69 Å²	69	161.7 Å²	161.7	71%	0.711	81%	0.806	S	S	*	*			trans	160.4	99.5	173.5	0	0	0	0	0	114.6
145	V	48.2	Very low	43.1	Very low	141 Å²	141	161.4 Å²	161.4	86%	0.855	81%	0.811	S	S	*	*			trans	83.5	105.3	149.3	-166.7	0	0	0	0	117.4
146	H	38.8	Very low	42.2	Very low	170 Å²	170	159.2 Å²	159.2	79%	0.787	81%	0.81	S	S	*	*			trans	-54.8	131.9	161.2	-79.9	-107	0	0	0	112.5
147	T	49	Very low	41.7	Very low	137 Å²	137	156.3 Å²	156.3	84%	0.84	81%	0.808	S	S	*	*			trans	-152.9	123.4	134.9	46.4	0	0	0	0	109.2
148	D	35.6	Very low	41.1	Very low	144 Å²	144	153.7 Å²	153.7	77%	0.77	81%	0.806	S	S	*	*			trans	-60.2	129.5	-179.8	-65.9	-57.6	0	0	0	112.9
149	F	44.9	Very low	40.8	Very low	212 Å²	212	155.1 Å²	155.1	93%	0.93	81%	0.811	S	S	*	*			trans	-138.6	109	150.5	-111.5	-83.3	0	0	0	110.4
150	S	36.7	Very low	40.2	Very low	111 Å²	111	154 Å²	154	78%	0.776	81%	0.809	S	S	*	*			trans	-64.4	123.9	174.5	-178.1	0	0	0	0	111
151	S	42.2	Very low	39.9	Very low	122 Å²	122	149.9 Å²	149.9	85%	0.853	80%	0.796	S	S	*	*			trans	-160.4	61.8	148.7	-130.1	0	0	0	0	109.8	N153	S151-N153 PolarHBondContact O-N 3.27Å
152	R	34.3	Very low	40.7	Very low	232 Å²	232	143.7 Å²	143.7	88%	0.875	78%	0.779	S	S	*	*			trans	-71	114.1	159.9	-125.2	176.9	-173.6	174.1	2.2	105.7
153	N	37.7	Very low	40.7	Very low	149 Å²	149	142 Å²	142	80%	0.797	78%	0.779	S	S	*	*			trans	172.2	96.2	149.5	-81.7	-15.1	0	0	0	109	S151	S151-N153 PolarHBondContact O-N 3.27Å
154	N	44.8	Very low	41.2	Very low	166 Å²	166	141.6 Å²	141.6	89%	0.888	77%	0.769	S	S	*	*			trans	-166.6	74.5	149.1	-88.7	-25.8	0	0	0	107.4	C156	N154-C156 PolarHBondContact O-N 3.47Å
155	K	37.7	Very low	42	Very low	199 Å²	199	141.5 Å²	141.5	87%	0.865	75%	0.754	S	S	*	*			trans	-71.8	84.4	166.3	-168.4	174.3	-175.3	-179.9	0	106.7	I157	K155-I157 PolarHBondContact O-N 2.98Å; K155-I157 VanDerWaalsContact O-N 3.08Å
156	C	35.7	Very low	42.1	Very low	98 Å²	98	140.8 Å²	140.8	66%	0.662	75%	0.745	S	S	*	*			trans	-65	105.8	167.6	-170	0	0	0	0	106.4	N154 E158	N154-C156 PolarHBondContact O-N 3.47Å; C156-E158 PolarHBondContact O-N 2.84Å
157	I	40.5	Very low	42.9	Very low	136 Å²	136	135.7 Å²	135.7	70%	0.697	73%	0.729	S	S	*	*			trans	-61	109.6	168.9	-69.6	172	0	0	0	106	K155 T159	K155-I157 PolarHBondContact O-N 2.98Å; K155-I157 VanDerWaalsContact O-N 3.08Å; I157-T159 PolarHBondContact O-N 3.48Å
158	E	34.3	Very low	43.2	Very low	179 Å²	179	134.8 Å²	134.8	84%	0.836	72%	0.715	S	S	*	*			trans	-59.6	97.3	170.5	-68.7	177.1	163.8	0	0	108.6	C156 S160	C156-E158 PolarHBondContact O-N 2.84Å; E158-S160 PolarHBondContact O-N 3.43Å
159	T	40.7	Very low	44.3	Very low	111 Å²	111	132.6 Å²	132.6	68%	0.681	70%	0.702	S	S	*	*			trans	-78.4	74.8	160.8	54.7	0	0	0	0	107.9	I157 T161	I157-T159 PolarHBondContact O-N 3.48Å; T159-T161 PolarHBondContact O-N 3.23Å
160	S	38	Very low	44.8	Very low	108 Å²	108	126 Å²	126	76%	0.755	68%	0.683	S	S	*	*			trans	-69.9	67.3	154.6	178.1	0	0	0	0	107.9	E158	E158-S160 PolarHBondContact O-N 3.43Å
161	T	42	Very low	46	Very low	93 Å²	93	123.3 Å²	123.3	57%	0.571	66%	0.664	S	S	*	*			trans	-120	84.3	172.8	50.6	0	0	0	0	108.5	T159	T159-T161 PolarHBondContact O-N 3.23Å
162	N	48.7	Very low	47.1	Very low	93 Å²	93	121.6 Å²	121.6	50%	0.497	65%	0.648	S	S	.	*				70.2	91.1	128.1	-60.8	-33.3	0	0	0	116.6	R164 T165	N162-R164 HydrophobicContact CB-CB 4.43Å; N162-R164 PolarHBondContact O-N 3.43Å; N162-T165 WeakPolarHBondContact CB-OG1 3.3Å; N162-T165 PolarHBondContact O-N 3.27Å; N162-T165 PolarHBondContact O-OG1 2.88Å
163	S	47.3	Very low	48.5	Very low	109 Å²	109	115 Å²	115	76%	0.762	63%	0.633	S	S	*	*	H	α-helix	trans	-42.4	-30.3	149.4	173.2	0	0	0	0	112.7	S167	S163-S167 PolarHBondContact O-N 3.06Å
164	R	49.1	Very low	50.2	Low	194 Å²	194	111 Å²	111	73%	0.732	62%	0.617	S	S	*	*	H	α-helix	trans	-64.3	-37.7	171.6	-78.6	-177.5	179.3	128.5	-0.5	114.5	N162 S167 H168	N162-R164 HydrophobicContact CB-CB 4.43Å; N162-R164 PolarHBondContact O-N 3.43Å; R164-S167 PolarHBondContact O-N 3.48Å; R164-S167 PolarHBondContact O-OG 2.91Å; R164-H168 PolarHBondContact O-CD2 2.98Å; R164-H168 PolarHBondContact O-N 2.9Å; R164-H168 VanDerWaalsContact O-N 3.15Å
165	T	56	Low	51.4	Low	67 Å²	67	107 Å²	107	41%	0.411	60%	0.599	S	S	.	*	H	α-helix	trans	-70.1	-36.8	179.3	12.8	0	0	0	0	112	N162 H168 I169	N162-T165 WeakPolarHBondContact CB-OG1 3.3Å; N162-T165 PolarHBondContact O-N 3.27Å; N162-T165 PolarHBondContact O-OG1 2.88Å; T165-H168 PolarHBondContact O-N 3.38Å; T165-I169 WeakPolarHBondContact O-CD1 3.28Å; T165-I169 VanDerWaalsContact O-CG1 3.27Å; T165-I169 WeakPolarHBondContact O-CG1 3.39Å; T165-I169 PolarHBondContact O-N 3.37Å
166	L	50.1	Low	53	Low	126 Å²	126	99.8 Å²	99.8	66%	0.66	58%	0.576	S	S	*	*	H	α-helix	trans	-67.5	-35.8	176.1	-68.3	176	0	0	0	111.9	I169 S170	L166-I169 PolarHBondContact O-N 3.45Å; L166-S170 WeakPolarHBondContact O-CB 3.48Å; L166-S170 PolarHBondContact O-N 2.92Å
167	S	54.8	Low	54.6	Low	64 Å²	64	97.2 Å²	97.2	45%	0.448	56%	0.562	S	S	.	*	H	α-helix	trans	-67	-38.4	174.1	67.5	0	0	0	0	112.5	S163 R164 S170 S171	S163-S167 PolarHBondContact O-N 3.06Å; R164-S167 PolarHBondContact O-N 3.48Å; R164-S167 PolarHBondContact O-OG 2.91Å; S167-S170 PolarHBondContact O-N 2.92Å; S167-S171 WeakPolarHBondContact O-CB 3.42Å; S167-S171 PolarHBondContact O-N 2.7Å; S167-S171 PolarHBondContact O-OG 2.84Å
168	H	56.3	Low	56.2	Low	117 Å²	117	94.8 Å²	94.8	54%	0.542	55%	0.553	S	S	.	*	H	α-helix	trans	-70	-35.7	176.1	-74.6	-65.9	0	0	0	113	R164 T165 S171 T172	R164-H168 PolarHBondContact O-CD2 2.98Å; R164-H168 PolarHBondContact O-N 2.9Å; R164-H168 VanDerWaalsContact O-N 3.15Å; T165-H168 PolarHBondContact O-N 3.38Å; H168-S171 WeakPolarHBondContact CA-OG 3.49Å; H168-S171 PolarHBondContact O-OG 3.44Å; H168-T172 WeakPolarHBondContact O-CB 3.38Å; H168-T172 VanDerWaalsContact O-CG2 3.26Å; H168-T172 WeakPolarHBondContact O-CG2 3.47Å; H168-T172 PolarHBondContact O-N 2.73Å; H168-T172 PolarHBondContact O-OG1 2.78Å
169	I	57.6	Low	58	Low	98 Å²	98	92.2 Å²	92.2	50%	0.503	54%	0.541	S	S	.	.	H	α-helix	trans	-67.7	-42.7	173.8	-65.8	163.4	0	0	0	110	T165 L166 S171 T172 V173	T165-I169 WeakPolarHBondContact O-CD1 3.28Å; T165-I169 VanDerWaalsContact O-CG1 3.27Å; T165-I169 WeakPolarHBondContact O-CG1 3.39Å; T165-I169 PolarHBondContact O-N 3.37Å; L166-I169 PolarHBondContact O-N 3.45Å; I169-S171 PolarHBondContact O-N 3.29Å; I169-T172 WeakPolarHBondContact CA-OG1 3.41Å; I169-T172 PolarHBondContact O-N 3.49Å; I169-T172 PolarHBondContact O-OG1 3.48Å; I169-V173 HydrophobicContact CG2-CG2 4.46Å; I169-V173 WeakPolarHBondContact O-CB 3.37Å; I169-V173 VanDerWaalsContact O-CG2 3.27Å; I169-V173 WeakPolarHBondContact O-CG2 3.49Å; I169-V173 PolarHBondContact O-N 3.39Å
170	S	56.6	Low	59.4	Low	75 Å²	75	91.6 Å²	91.6	52%	0.524	54%	0.537	S	S	.	.	H	α-helix	trans	-64.6	-37.8	176.6	-166.1	0	0	0	0	112.6	L166 S167 S174	L166-S170 WeakPolarHBondContact O-CB 3.48Å; L166-S170 PolarHBondContact O-N 2.92Å; S167-S170 PolarHBondContact O-N 2.92Å; S170-S174 WeakPolarHBondContact O-CB 3.36Å; S170-S174 PolarHBondContact O-N 3.16Å; S170-S174 VanDerWaalsContact O-N 3.1Å; S170-S174 PolarHBondContact O-OG 2.89Å
171	S	61.5	Low	60.9	Low	54 Å²	54	94.6 Å²	94.6	38%	0.378	53%	0.532	S	S	.	.	H	α-helix	trans	-71.7	-41.7	177.6	67.4	0	0	0	0	112.1	S167 H168 I169 S174 T175	S167-S171 WeakPolarHBondContact O-CB 3.42Å; S167-S171 PolarHBondContact O-N 2.7Å; S167-S171 PolarHBondContact O-OG 2.84Å; H168-S171 WeakPolarHBondContact CA-OG 3.49Å; H168-S171 PolarHBondContact O-OG 3.44Å; I169-S171 PolarHBondContact O-N 3.29Å; S171-S174 PolarHBondContact O-N 2.89Å; S171-T175 PolarHBondContact O-N 3.49Å; S171-T175 PolarHBondContact O-OG1 3.39Å
172	T	65.5	Low	62.2	Low	85 Å²	85	95.2 Å²	95.2	52%	0.521	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-41.8	178.8	47.2	0	0	0	0	112.1	H168 I169 S174 T175 A176	H168-T172 WeakPolarHBondContact O-CB 3.38Å; H168-T172 VanDerWaalsContact O-CG2 3.26Å; H168-T172 WeakPolarHBondContact O-CG2 3.47Å; H168-T172 PolarHBondContact O-N 2.73Å; H168-T172 PolarHBondContact O-OG1 2.78Å; I169-T172 WeakPolarHBondContact CA-OG1 3.41Å; I169-T172 PolarHBondContact O-N 3.49Å; I169-T172 PolarHBondContact O-OG1 3.48Å; T172-S174 VanDerWaalsContact C-N 3.34Å; T172-S174 PolarHBondContact O-N 3.22Å; T172-T175 PolarHBondContact O-N 2.98Å; T172-A176 WeakPolarHBondContact O-CB 3.39Å; T172-A176 PolarHBondContact O-N 2.87Å
173	V	64.8	Low	63.2	Low	94 Å²	94	97.4 Å²	97.4	57%	0.57	54%	0.539	S	S	*	.	H	α-helix	trans	-64.1	-39.9	173.7	175	0	0	0	0	111.1	I169 A177	I169-V173 HydrophobicContact CG2-CG2 4.46Å; I169-V173 WeakPolarHBondContact O-CB 3.37Å; I169-V173 VanDerWaalsContact O-CG2 3.27Å; I169-V173 WeakPolarHBondContact O-CG2 3.49Å; I169-V173 PolarHBondContact O-N 3.39Å; V173-A177 VanDerWaalsContact O-CB 3.24Å; V173-A177 WeakPolarHBondContact O-CB 3.39Å; V173-A177 PolarHBondContact O-N 2.88Å
174	S	71.4	Confident	64	Low	66 Å²	66	94.7 Å²	94.7	46%	0.462	52%	0.523	S	S	.	.	H	α-helix	trans	-65.5	-43.2	177.3	-60.6	0	0	0	0	112.2	S170 S171 T172 A177 V178	S170-S174 WeakPolarHBondContact O-CB 3.36Å; S170-S174 PolarHBondContact O-N 3.16Å; S170-S174 VanDerWaalsContact O-N 3.1Å; S170-S174 PolarHBondContact O-OG 2.89Å; S171-S174 PolarHBondContact O-N 2.89Å; T172-S174 VanDerWaalsContact C-N 3.34Å; T172-S174 PolarHBondContact O-N 3.22Å; S174-A177 PolarHBondContact O-N 2.89Å; S174-V178 VanDerWaalsContact O-CG2 3.3Å; S174-V178 WeakPolarHBondContact O-CG2 3.34Å; S174-V178 PolarHBondContact O-N 2.95Å; S174-V178 VanDerWaalsContact O-N 3.07Å
175	T	72	Confident	64.7	Low	82 Å²	82	88.8 Å²	88.8	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-66.8	-43	177.1	-56.3	0	0	0	0	111.7	S171 T172 V178 Q179	S171-T175 PolarHBondContact O-N 3.49Å; S171-T175 PolarHBondContact O-OG1 3.39Å; T172-T175 PolarHBondContact O-N 2.98Å; T175-V178 PolarHBondContact O-N 2.74Å; T175-Q179 WeakPolarHBondContact O-CG 3.37Å; T175-Q179 PolarHBondContact O-N 3Å
176	A	70.5	Confident	65.1	Low	47 Å²	47	89.5 Å²	89.5	39%	0.388	51%	0.51	S	S	.	.	H	α-helix	trans	-63.7	-41.9	176.6	0	0	0	0	0	111.9	T172 V178 Q179 V180	T172-A176 WeakPolarHBondContact O-CB 3.39Å; T172-A176 PolarHBondContact O-N 2.87Å; A176-V178 VanDerWaalsContact C-N 3.3Å; A176-V178 PolarHBondContact O-N 3.38Å; A176-Q179 PolarHBondContact O-N 3.48Å; A176-V180 WeakPolarHBondContact O-CG2 3.5Å; A176-V180 PolarHBondContact O-N 3.2Å
177	A	68.6	Low	65.6	Low	44 Å²	44	88.8 Å²	88.8	36%	0.364	51%	0.506	S	S	.	.	H	α-helix	trans	-67.2	-28.4	177	0	0	0	0	0	113.4	V173 S174 R181	V173-A177 VanDerWaalsContact O-CB 3.24Å; V173-A177 WeakPolarHBondContact O-CB 3.39Å; V173-A177 PolarHBondContact O-N 2.88Å; S174-A177 PolarHBondContact O-N 2.89Å; A177-R181 PolarHBondContact O-N 3.17Å; A177-R181 PolarHBondContact O-NE 3.23Å
178	V	74.4	Confident	65.7	Low	84 Å²	84	89.9 Å²	89.9	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-74.4	-42.4	171.6	170.9	0	0	0	0	110.7	S174 T175 A176 R181 D182	S174-V178 VanDerWaalsContact O-CG2 3.3Å; S174-V178 WeakPolarHBondContact O-CG2 3.34Å; S174-V178 PolarHBondContact O-N 2.95Å; S174-V178 VanDerWaalsContact O-N 3.07Å; T175-V178 PolarHBondContact O-N 2.74Å; A176-V178 VanDerWaalsContact C-N 3.3Å; A176-V178 PolarHBondContact O-N 3.38Å; V178-R181 PolarHBondContact O-N 3.49Å; V178-D182 PolarHBondContact O-N 3.33Å
179	Q	72.1	Confident	65.7	Low	126 Å²	126	91.9 Å²	91.9	59%	0.589	51%	0.513	S	S	*	.	H	α-helix	trans	-63	-42.1	177	-77.5	177.1	-29.8	0	0	112.7	T175 A176 R181 D182 Q183	T175-Q179 WeakPolarHBondContact O-CG 3.37Å; T175-Q179 PolarHBondContact O-N 3Å; A176-Q179 PolarHBondContact O-N 3.48Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 3.49Å; Q179-D182 PolarHBondContact O-N 3.46Å; Q179-Q183 WeakPolarHBondContact O-CB 3.41Å; Q179-Q183 PolarHBondContact O-N 3.4Å
180	V	70.4	Confident	65.6	Low	97 Å²	97	95.5 Å²	95.5	59%	0.588	52%	0.52	S	S	*	.	H	α-helix	trans	-63.9	-38.7	175.9	172.9	0	0	0	0	111.1	A176 A184	A176-V180 WeakPolarHBondContact O-CG2 3.5Å; A176-V180 PolarHBondContact O-N 3.2Å; V180-A184 WeakPolarHBondContact O-CB 3.42Å; V180-A184 PolarHBondContact O-N 2.91Å
181	R	68.9	Low	65.5	Low	171 Å²	171	95.6 Å²	95.6	65%	0.645	52%	0.517	S	S	*	.	H	α-helix	trans	-64.8	-44.7	173.7	-96.8	-175.1	-75.4	-175.3	-4.7	112.2	A177 V178 Q179 A184 V185	A177-R181 PolarHBondContact O-N 3.17Å; A177-R181 PolarHBondContact O-NE 3.23Å; V178-R181 PolarHBondContact O-N 3.49Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 3.49Å; R181-A184 PolarHBondContact O-N 3.08Å; R181-V185 VanDerWaalsContact O-CG2 3.32Å; R181-V185 WeakPolarHBondContact O-CG2 3.36Å; R181-V185 PolarHBondContact O-N 3.05Å
182	D	69	Low	65	Low	106 Å²	106	99.1 Å²	99.1	57%	0.567	53%	0.531	S	S	*	.	H	α-helix	trans	-65.7	-40.3	179.6	-168.1	55	0	0	0	111.7	V178 Q179 A184 V185 N186	V178-D182 PolarHBondContact O-N 3.33Å; Q179-D182 PolarHBondContact O-N 3.46Å; D182-A184 PolarHBondContact O-N 2.87Å; D182-V185 PolarHBondContact O-N 2.97Å; D182-N186 WeakPolarHBondContact O-CB 3.32Å; D182-N186 PolarHBondContact O-N 3.33Å
183	Q	70.8	Confident	64.3	Low	140 Å²	140	105.9 Å²	105.9	65%	0.654	55%	0.548	S	S	*	.	H	α-helix	trans	-64.2	-39.4	174.8	-166	179	2.9	0	0	112	Q179 N186 L187	Q179-Q183 WeakPolarHBondContact O-CB 3.41Å; Q179-Q183 PolarHBondContact O-N 3.4Å; Q183-N186 PolarHBondContact O-N 2.98Å; Q183-L187 PolarHBondContact O-N 3.19Å
184	A	62.8	Low	63.6	Low	52 Å²	52	106.6 Å²	106.6	43%	0.43	55%	0.552	S	S	.	*	H	α-helix	trans	-67.2	-42.2	175.6	0	0	0	0	0	112.4	V180 R181 D182 N186 L187 T188	V180-A184 WeakPolarHBondContact O-CB 3.42Å; V180-A184 PolarHBondContact O-N 2.91Å; R181-A184 PolarHBondContact O-N 3.08Å; D182-A184 PolarHBondContact O-N 2.87Å; A184-N186 VanDerWaalsContact C-N 3.31Å; A184-N186 PolarHBondContact O-N 2.9Å; A184-L187 WeakPolarHBondContact O-CB 3.46Å; A184-L187 PolarHBondContact O-N 3.27Å; A184-T188 PolarHBondContact O-N 3.35Å; A184-T188 PolarHBondContact O-OG1 3.41Å; A184-T188 VanDerWaalsContact O-OG1 3.09Å
185	V	65.2	Low	62.5	Low	70 Å²	70	111.1 Å²	111.1	42%	0.424	57%	0.566	S	S	.	*	H	α-helix	trans	-66.7	-34.5	176.6	174.8	0	0	0	0	111.3	R181 D182 R189	R181-V185 VanDerWaalsContact O-CG2 3.32Å; R181-V185 WeakPolarHBondContact O-CG2 3.36Å; R181-V185 PolarHBondContact O-N 3.05Å; D182-V185 PolarHBondContact O-N 2.97Å; V185-R189 PolarHBondContact O-N 3.47Å
186	N	63.7	Low	60.9	Low	81 Å²	81	112 Å²	112	43%	0.433	58%	0.575	S	S	.	*	H	α-helix	trans	-64.1	-41.9	172.4	-162.8	-71	0	0	0	111.4	D182 Q183 A184 R189 R190	D182-N186 WeakPolarHBondContact O-CB 3.32Å; D182-N186 PolarHBondContact O-N 3.33Å; Q183-N186 PolarHBondContact O-N 2.98Å; A184-N186 VanDerWaalsContact C-N 3.31Å; A184-N186 PolarHBondContact O-N 2.9Å; N186-R189 PolarHBondContact O-N 2.93Å; N186-R190 WeakPolarHBondContact O-CG 3.49Å; N186-R190 PolarHBondContact O-N 3.17Å
187	L	59.8	Low	59.8	Low	112 Å²	112	115.9 Å²	115.9	59%	0.586	59%	0.594	S	S	*	*	H	α-helix	trans	-64	-44.9	176.4	-139.8	77.2	0	0	0	111.9	Q183 A184 R189 R190 V191	Q183-L187 PolarHBondContact O-N 3.19Å; A184-L187 WeakPolarHBondContact O-CB 3.46Å; A184-L187 PolarHBondContact O-N 3.27Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 3Å; L187-R190 PolarHBondContact O-N 3.2Å; L187-R190 VanDerWaalsContact O-N 3.08Å; L187-V191 WeakPolarHBondContact O-CG2 3.4Å; L187-V191 PolarHBondContact O-N 3.32Å
188	T	58.2	Low	58.4	Low	87 Å²	87	120.7 Å²	120.7	53%	0.534	61%	0.614	S	S	.	*	H	α-helix	trans	-63	-35.2	177	-53.7	0	0	0	0	112.1	A184 L192	A184-T188 PolarHBondContact O-N 3.35Å; A184-T188 PolarHBondContact O-OG1 3.41Å; A184-T188 VanDerWaalsContact O-OG1 3.09Å; T188-L192 HydrophobicContact CG2-CD1 4.41Å; T188-L192 PolarHBondContact O-N 3.43Å
189	R	56.1	Low	56.6	Low	158 Å²	158	123.3 Å²	123.3	60%	0.596	63%	0.63	S	S	*	*	H	α-helix	trans	-69.6	-34.1	171.8	-90.5	-169.8	-77.8	-122.9	2.9	113.3	V185 N186 L187 W193	V185-R189 PolarHBondContact O-N 3.47Å; N186-R189 PolarHBondContact O-N 2.93Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 3Å; R189-W193 PolarHBondContact O-N 3.33Å
190	R	54.8	Low	54.8	Low	174 Å²	174	123.1 Å²	123.1	66%	0.657	64%	0.642	S	S	*	*	H	α-helix	trans	-72.1	-32.2	174.7	-69.9	-178.9	92.1	164.6	5.3	112.6	N186 L187 W193 T194	N186-R190 WeakPolarHBondContact O-CG 3.49Å; N186-R190 PolarHBondContact O-N 3.17Å; L187-R190 PolarHBondContact O-N 3.2Å; L187-R190 VanDerWaalsContact O-N 3.08Å; R190-W193 PolarHBondContact O-N 3.33Å; R190-T194 PolarHBondContact O-OG1 3.24Å; R190-T194 VanDerWaalsContact O-OG1 3.1Å
191	V	54	Low	53	Low	77 Å²	77	124.3 Å²	124.3	47%	0.467	65%	0.654	S	S	.	*	H	α-helix	trans	-71.1	-34.2	175.5	174.1	0	0	0	0	111.6	L187 W193 T194	L187-V191 WeakPolarHBondContact O-CG2 3.4Å; L187-V191 PolarHBondContact O-N 3.32Å; V191-W193 VanDerWaalsContact C-N 3.3Å; V191-W193 PolarHBondContact O-N 3.48Å; V191-T194 PolarHBondContact O-N 2.98Å; V191-T194 PolarHBondContact O-OG1 3.33Å
192	L	52.3	Low	51.3	Low	128 Å²	128	121.1 Å²	121.1	67%	0.67	66%	0.657	S	S	*	*	H	α-helix	trans	-68.7	-25.9	174.5	-105.8	99.9	0	0	0	113.8	T188	T188-L192 HydrophobicContact CG2-CD1 4.41Å; T188-L192 PolarHBondContact O-N 3.43Å
193	W	51.1	Low	49.8	Very low	228 Å²	228	122.5 Å²	122.5	86%	0.864	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-1.6	178.2	-86.3	83.7	0	0	0	114.3	R189 R190 V191	R189-W193 PolarHBondContact O-N 3.33Å; R190-W193 PolarHBondContact O-N 3.33Å; V191-W193 VanDerWaalsContact C-N 3.3Å; V191-W193 PolarHBondContact O-N 3.48Å
194	T	50.6	Low	48.4	Very low	108 Å²	108	123.3 Å²	123.3	66%	0.663	68%	0.677	S	S	*	*	S	Bend	trans	-112.9	1.3	-177.9	45.6	0	0	0	0	114.1	R190 V191 S196	R190-T194 PolarHBondContact O-OG1 3.24Å; R190-T194 VanDerWaalsContact O-OG1 3.1Å; V191-T194 PolarHBondContact O-N 2.98Å; V191-T194 PolarHBondContact O-OG1 3.33Å; T194-S196 VanDerWaalsContact C-N 3.32Å; T194-S196 PolarHBondContact O-N 3.37Å
195	Q	47.4	Very low	47.4	Very low	162 Å²	162	125.6 Å²	125.6	76%	0.757	69%	0.69	S	S	*	*	S	Bend	trans	-90	17.1	175.7	-87.9	-165.6	79.8	0	0	114.6
196	S	38.4	Very low	46.3	Very low	99 Å²	99	127.7 Å²	127.7	69%	0.692	71%	0.705	S	S	*	*			trans	-136.2	90	175.7	-58.5	0	0	0	0	109.3	T194	T194-S196 VanDerWaalsContact C-N 3.32Å; T194-S196 PolarHBondContact O-N 3.37Å
197	T	47.6	Very low	45.3	Very low	129 Å²	129	131.5 Å²	131.5	79%	0.791	73%	0.725	S	S	*	*			trans	178.1	98.4	146.1	25.7	0	0	0	0	108.3
198	D	39.4	Very low	44.2	Very low	146 Å²	146	134.2 Å²	134.2	78%	0.781	74%	0.74	S	S	*	*			trans	8.8	121.4	139.2	-57	-58.2	0	0	0	118	S200	D198-S200 PolarHBondContact O-N 3.47Å
199	V	35.3	Very low	43.6	Very low	139 Å²	139	135.3 Å²	135.3	84%	0.842	75%	0.751	S	S	*	*				18.9	94.3	124.8	-171.9	0	0	0	0	114.5
200	S	36	Very low	42.7	Very low	121 Å²	121	135.2 Å²	135.2	85%	0.846	76%	0.762	S	S	*	*			trans	-164.8	141.4	152.1	-85.1	0	0	0	0	112.6	D198	D198-S200 PolarHBondContact O-N 3.47Å
201	C	32.2	Very low	42	Very low	123 Å²	123	132.1 Å²	132.1	83%	0.831	77%	0.767	S	S	*	*			trans	-48.9	163.6	-174.5	-125.2	0	0	0	0	116.9
202	S	32	Very low	41.3	Very low	103 Å²	103	137.8 Å²	137.8	72%	0.72	79%	0.786	S	S	*	*			trans	73.3	101.3	147.2	52.6	0	0	0	0	119.3
203	T	38.7	Very low	40.8	Very low	136 Å²	136	138.2 Å²	138.2	83%	0.834	79%	0.787	S	S	*	*			trans	-142.9	105.7	134	-55.5	0	0	0	0	109.9
204	I	40	Very low	40.2	Very low	157 Å²	157	132.9 Å²	132.9	81%	0.805	78%	0.78	S	S	*	*			trans	-68.5	128.6	161.4	-69	162.9	0	0	0	107.4
205	S	42.2	Very low	39.8	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	79%	0.786	S	S	*	*			trans	-157.1	109.3	158.1	-76.9	0	0	0	0	109
206	P	43.5	Very low	39.5	Very low	114 Å²	114	132.1 Å²	132.1	74%	0.74	79%	0.785	S	S	*	*			trans	-90.3	118.7	168.8	32.6	-23.5	0	0	0	108.3
207	N	41.9	Very low	39.8	Very low	160 Å²	160	132.8 Å²	132.8	86%	0.856	79%	0.79	S	S	*	*			trans	-105.3	99.4	161.7	-87.9	-33.3	0	0	0	108.8
208	L	36.3	Very low	39.5	Very low	170 Å²	170	131.8 Å²	131.8	89%	0.89	79%	0.788	S	S	*	*			trans	-60	118.1	162	-168.4	74.7	0	0	0	108.4
209	S	45	Very low	39.5	Very low	109 Å²	109	129.7 Å²	129.7	76%	0.762	79%	0.785	S	S	*	*			trans	-149.8	125.3	155.2	50.7	0	0	0	0	110.4
210	D	37.5	Very low	40.1	Very low	157 Å²	157	132.9 Å²	132.9	84%	0.84	79%	0.788	S	S	*	*			trans	-45.2	132.9	-179.7	-59.9	-69	0	0	0	114.8
211	S	40.5	Very low	40.6	Very low	109 Å²	109	134.4 Å²	134.4	76%	0.762	79%	0.787	S	S	*	*			trans	-153.5	113	132.3	56.8	0	0	0	0	111.1	I213	S211-I213 PolarHBondContact O-N 3.45Å
212	K	38.9	Very low	41.6	Very low	196 Å²	196	137.8 Å²	137.8	85%	0.852	79%	0.79	S	S	*	*			trans	-74.3	107	174.2	-169.7	179.8	-170.2	-175.3	0	107.7
213	I	41.9	Very low	42.7	Very low	137 Å²	137	140.5 Å²	140.5	70%	0.703	79%	0.791	S	S	*	*			trans	-127.9	97.6	163.2	-58.3	-178.6	0	0	0	108.2	S211	S211-I213 PolarHBondContact O-N 3.45Å
214	T	37.8	Very low	43.7	Very low	115 Å²	115	138.9 Å²	138.9	71%	0.706	78%	0.783	S	S	*	*			trans	-62.1	122.6	158.6	47.6	0	0	0	0	108.7
215	N	42.4	Very low	44.6	Very low	148 Å²	148	138.7 Å²	138.7	79%	0.791	78%	0.777	S	S	*	*			trans	-140	110.2	154.1	-84.9	-32.6	0	0	0	108.9
216	S	41.6	Very low	45.5	Very low	106 Å²	106	143.4 Å²	143.4	74%	0.741	79%	0.785	S	S	*	*			trans	-58.7	160.3	168.7	31.5	0	0	0	0	113.5
217	S	44.3	Very low	46.3	Very low	113 Å²	113	143.9 Å²	143.9	79%	0.79	78%	0.78	S	S	*	*			trans	97.6	108.6	151.8	71.5	0	0	0	0	119.6
218	S	42	Very low	46.8	Very low	108 Å²	108	144.3 Å²	144.3	76%	0.755	78%	0.777	S	S	*	*			trans	144	95.3	131.9	60	0	0	0	0	108.9
219	S	39.6	Very low	47.9	Very low	102 Å²	102	146.6 Å²	146.6	71%	0.713	80%	0.799	S	S	*	*				53.6	86.1	75.5	176.6	0	0	0	0	112.8
220	F	47.1	Very low	48.1	Very low	206 Å²	206	148.5 Å²	148.5	90%	0.904	80%	0.801	S	S	*	*			trans	-150.5	100.4	143.3	-86.1	-71.4	0	0	0	108.8
221	D	46.7	Very low	48.7	Very low	154 Å²	154	148.1 Å²	148.1	82%	0.824	80%	0.799	S	S	*	*			trans	-69	128.8	156.2	-75.8	-52.6	0	0	0	108.4
222	E	54.4	Low	49.1	Very low	193 Å²	193	150.2 Å²	150.2	90%	0.902	80%	0.801	S	S	*	*			trans	-167.1	100.6	146.9	-115.8	175.5	-178.8	0	0	110.4
223	E	53.7	Low	49.7	Very low	160 Å²	160	147.5 Å²	147.5	75%	0.748	80%	0.797	S	S	*	*			trans	-94.7	137.8	158.3	-172	-169.3	-161.6	0	0	107
224	P	59.8	Low	50.2	Low	102 Å²	102	148.2 Å²	148.2	66%	0.662	80%	0.803	S	S	*	*			trans	-119.3	116.2	149.5	31.2	-19.9	0	0	0	110.6	F226	P224-F226 HydrophobicContact CB-CE2 4.49Å
225	K	59.3	Low	51	Low	154 Å²	154	150.4 Å²	150.4	67%	0.67	81%	0.81	S	S	*	*			trans	-57.6	130	155.9	-69.1	173.4	179.2	175.8	0	109.3
226	F	61.5	Low	51.6	Low	198 Å²	198	150.6 Å²	150.6	87%	0.868	81%	0.811	S	S	*	*			trans	-108.2	109.5	152.8	-82.5	-81.8	0	0	0	108.6	P224	P224-F226 HydrophobicContact CB-CE2 4.49Å
227	L	59.6	Low	52.4	Low	124 Å²	124	154 Å²	154	65%	0.649	82%	0.817	S	S	*	*			trans	-71.8	149.2	162.5	-99.6	88	0	0	0	110.3
228	E	52.2	Low	53.1	Low	170 Å²	170	157.4 Å²	157.4	79%	0.794	82%	0.819	S	S	*	*			trans	51.3	108.3	142.4	-69.9	177.5	145.1	0	0	119.5
229	T	61.2	Low	54.1	Low	218 Å²	218	161.9 Å²	161.9	100%	1.337	83%	0.825	S	S	*	*				-147.9	0	107.1	-45.5	0	0	0	0	108.9

Retrieved 229 of 229 residues in 415.4 ms (Link to these results)

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