A0A077Z302_TRITR Loading...

Protein CBG12493

AlphaFold DB , UniProt , Accession A0A077Z302, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 aa.

						>A0A077Z302_TRITR|A0A077Z302
MEKDECQKEQATMADNSITDSLFPEVDEYISLMTKVVETITLYKAEYRALDMRCSLLAAQLQPLVREASALRVCTDHHYALECSRPLMLRIGALTEQVNELSAMKMAILAKINQAIIENRAKVRELCVTSWRCNINKHP
					

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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	39	Very low	48.1	Very low	241 Å²	241	151 Å²	151	100%	1.187	74%	0.741	S	S	*	*				0	126.4	0	-70.5	-171.4	-106.4	0	0	106.2	K3	M1-K3 PolarHBondContact O-N 3.47Å
2	E	46.4	Very low	47.5	Very low	185 Å²	185	150.2 Å²	150.2	86%	0.864	75%	0.752	S	S	*	*			trans	-45.5	134.2	-176.2	-84.9	167.2	134.3	0	0	110.6	D4	E2-D4 PolarHBondContact O-N 2.98Å; E2-D4 VanDerWaalsContact O-N 3.13Å
3	K	46	Very low	46.8	Very low	192 Å²	192	152.3 Å²	152.3	84%	0.835	76%	0.761	S	S	*	*			trans	-58	119.5	175.1	-74.8	176.1	174.7	176.7	0	106.8	M1 E5	M1-K3 PolarHBondContact O-N 3.47Å; K3-E5 VanDerWaalsContact C-N 3.35Å; K3-E5 PolarHBondContact O-N 3.22Å
4	D	53.5	Low	46.5	Very low	76 Å²	76	147.8 Å²	147.8	41%	0.406	76%	0.759	S	S	.	*			trans	-57.8	95.4	178.9	-168.4	3.7	0	0	0	109.1	E2 C6 Q7	E2-D4 PolarHBondContact O-N 2.98Å; E2-D4 VanDerWaalsContact O-N 3.13Å; D4-C6 PolarHBondContact O-N 3.01Å; D4-C6 VanDerWaalsContact O-N 3.15Å; D4-C6 WeakPolarHBondContact OD1-CB 3.35Å; D4-C6 PolarHBondContact OD1-N 3.26Å; D4-Q7 HydrophobicContact CB-CG 4.35Å; D4-Q7 PolarHBondContact O-N 3.27Å; D4-Q7 VanDerWaalsContact O-N 3.12Å; D4-Q7 WeakPolarHBondContact OD2-CG 3.03Å; D4-Q7 PolarHBondContact OD2-NE2 2.94Å; D4-Q7 VanDerWaalsContact OD2-NE2 3.16Å
5	E	57.6	Low	46.1	Very low	136 Å²	136	148 Å²	148	64%	0.636	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-61.8	-20.3	-178.4	-72.2	-175.3	151.7	0	0	111.3	K3 Q7	K3-E5 VanDerWaalsContact C-N 3.35Å; K3-E5 PolarHBondContact O-N 3.22Å; E5-Q7 VanDerWaalsContact C-N 3.26Å; E5-Q7 PolarHBondContact O-N 3.42Å
6	C	55.5	Low	45.7	Very low	53 Å²	53	148.8 Å²	148.8	36%	0.358	77%	0.768	S	S	.	*	G	3₁₀ helix	trans	-73.5	-11.6	177.7	-53.8	0	0	0	0	113.5	D4 C133	D4-C6 PolarHBondContact O-N 3.01Å; D4-C6 VanDerWaalsContact O-N 3.15Å; D4-C6 WeakPolarHBondContact OD1-CB 3.35Å; D4-C6 PolarHBondContact OD1-N 3.26Å; C6-C133 HydrophobicContact CB-CB 4.18Å; C6-C133 WeakPolarHBondContact CB-SG 3.33Å; C6-C133 WeakPolarHBondContact SG-CA 3.47Å; C6-C133 WeakPolarHBondContact SG-CB 3.42Å; C6-C133 CovalentContact SG-SG 2.06Å; C6-C133 PolarHBondContact SG-SG 3.43Å
7	Q	51.4	Low	45.5	Very low	148 Å²	148	146.3 Å²	146.3	69%	0.692	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-100.9	5.2	-177.4	-73.3	-171.8	7.3	0	0	115.2	D4 E5 E9	D4-Q7 HydrophobicContact CB-CG 4.35Å; D4-Q7 PolarHBondContact O-N 3.27Å; D4-Q7 VanDerWaalsContact O-N 3.12Å; D4-Q7 WeakPolarHBondContact OD2-CG 3.03Å; D4-Q7 PolarHBondContact OD2-NE2 2.94Å; D4-Q7 VanDerWaalsContact OD2-NE2 3.16Å; E5-Q7 VanDerWaalsContact C-N 3.26Å; E5-Q7 PolarHBondContact O-N 3.42Å; Q7-E9 PolarHBondContact O-N 3.31Å
8	K	49.6	Very low	45.8	Very low	192 Å²	192	146.8 Å²	146.8	84%	0.835	77%	0.769	S	S	*	*			trans	-74.6	-0.2	-177.9	-96.9	-175.2	178.8	177.3	0	115.7	Q10	K8-Q10 PolarHBondContact O-N 2.99Å
9	E	44.2	Very low	46.1	Very low	175 Å²	175	145.7 Å²	145.7	82%	0.818	77%	0.769	S	S	*	*			trans	-91.8	74.8	172.5	-69.4	-174.9	160.1	0	0	111.1	Q7	Q7-E9 PolarHBondContact O-N 3.31Å
10	Q	41.4	Very low	46.8	Very low	181 Å²	181	146.6 Å²	146.6	85%	0.846	77%	0.774	S	S	*	*			trans	-102.4	102.7	153.7	-105.5	-178.8	-4.6	0	0	108.8	K8 T12	K8-Q10 PolarHBondContact O-N 2.99Å; Q10-T12 PolarHBondContact O-N 3.42Å; Q10-T12 VanDerWaalsContact O-N 3.11Å
11	A	44	Very low	47.8	Very low	82 Å²	82	141.7 Å²	141.7	68%	0.678	75%	0.752	S	S	*	*			trans	-42.6	108.2	175.9	0	0	0	0	0	112.2	M13	A11-M13 VanDerWaalsContact C-N 3.34Å; A11-M13 PolarHBondContact O-N 3.21Å
12	T	41.3	Very low	49.5	Very low	141 Å²	141	137.4 Å²	137.4	87%	0.865	73%	0.733	S	S	*	*			trans	-81.3	93.5	158.8	-43.3	0	0	0	0	106.1	Q10 A14	Q10-T12 PolarHBondContact O-N 3.42Å; Q10-T12 VanDerWaalsContact O-N 3.11Å; T12-A14 PolarHBondContact O-N 3.02Å
13	M	38.8	Very low	50.9	Low	178 Å²	178	134.6 Å²	134.6	88%	0.877	72%	0.718	S	S	*	*			trans	-54.2	104.6	176.9	-69.2	-86.9	-168.7	0	0	110.6	A11	A11-M13 VanDerWaalsContact C-N 3.34Å; A11-M13 PolarHBondContact O-N 3.21Å
14	A	42.8	Very low	52.5	Low	89 Å²	89	128.6 Å²	128.6	74%	0.736	70%	0.699	S	S	*	*			trans	-147.9	112.8	162	0	0	0	0	0	109.3	T12	T12-A14 PolarHBondContact O-N 3.02Å
15	D	40.7	Very low	53.7	Low	151 Å²	151	128.3 Å²	128.3	81%	0.807	70%	0.695	S	S	*	*			trans	61.4	85.2	166.3	-78.5	-29	0	0	0	119.3	S17	D15-S17 PolarHBondContact O-N 3.43Å
16	N	38.9	Very low	54.8	Low	160 Å²	160	125.4 Å²	125.4	86%	0.856	69%	0.687	S	S	*	*				29.2	84.6	120.3	-67	-17.5	0	0	0	117.3
17	S	43.1	Very low	56.3	Low	107 Å²	107	126.5 Å²	126.5	75%	0.748	69%	0.689	S	S	*	*			trans	163.7	91.2	138.1	173.4	0	0	0	0	106.7	D15	D15-S17 PolarHBondContact O-N 3.43Å
18	I	50.7	Low	58	Low	155 Å²	155	124.3 Å²	124.3	80%	0.795	68%	0.679	S	S	*	*			trans	-155.2	120.8	153.8	-83.9	119.8	0	0	0	105.6	D20	I18-D20 PolarHBondContact O-N 3.39Å; I18-D20 VanDerWaalsContact O-N 3.16Å
19	T	51.7	Low	59.7	Low	126 Å²	126	120 Å²	120	77%	0.773	66%	0.658	S	S	*	*			trans	-37.9	113	157.7	43.3	0	0	0	0	110.3	S21	T19-S21 VanDerWaalsContact C-N 3.34Å; T19-S21 PolarHBondContact O-N 2.9Å
20	D	59.2	Low	61.8	Low	163 Å²	163	115.9 Å²	115.9	87%	0.872	64%	0.64	S	S	*	*			trans	-55.4	101.9	170.2	-81.5	-31.6	0	0	0	108	I18 L22	I18-D20 PolarHBondContact O-N 3.39Å; I18-D20 VanDerWaalsContact O-N 3.16Å; D20-L22 PolarHBondContact O-N 2.95Å
21	S	67.7	Low	64.1	Low	45 Å²	45	109.6 Å²	109.6	32%	0.315	62%	0.616	S	S	.	*			trans	-70.1	132.9	175.2	-179.2	0	0	0	0	108.6	T19 F23 D27	T19-S21 VanDerWaalsContact C-N 3.34Å; T19-S21 PolarHBondContact O-N 2.9Å; S21-F23 PolarHBondContact O-N 3.11Å; S21-F23 PolarHBondContact OG-N 3.42Å; S21-D27 WeakPolarHBondContact CB-OD2 3.34Å; S21-D27 PolarHBondContact OG-OD2 3.28Å
22	L	75.9	Confident	66.3	Low	150 Å²	150	107 Å²	107	79%	0.785	59%	0.591	S	S	*	*	S	Bend	trans	-64.4	-18.5	173.4	-83.3	105.2	0	0	0	112.6	D20	D20-L22 PolarHBondContact O-N 2.95Å
23	F	75.7	Confident	68.6	Low	127 Å²	127	103.2 Å²	103.2	56%	0.557	56%	0.564	S	S	*	*			trans	-141.7	73.3	-172.9	-56.2	-74.6	0	0	0	111.2	S21 E25 V26 D27	S21-F23 PolarHBondContact O-N 3.11Å; S21-F23 PolarHBondContact OG-N 3.42Å; F23-E25 PolarHBondContact O-N 2.91Å; F23-V26 HydrophobicContact CB-CB 3.91Å; F23-V26 HydrophobicContact CB-CG2 3.79Å; F23-V26 WeakPolarHBondContact O-CB 3.2Å; F23-V26 PolarHBondContact O-N 3.38Å; F23-D27 PolarHBondContact O-N 3.47Å; F23-D27 VanDerWaalsContact O-N 3.16Å
24	P	80	Confident	71.2	Confident	65 Å²	65	97.9 Å²	97.9	42%	0.422	54%	0.542	S	S	.	.	H	α-helix	trans	-58.5	-32.9	-176	23.5	-33.4	0	0	0	113.3	V26 D27 E28	P24-V26 VanDerWaalsContact C-N 3.31Å; P24-V26 PolarHBondContact O-N 3.03Å; P24-D27 PolarHBondContact O-N 3.24Å; P24-E28 PolarHBondContact O-N 3.16Å
25	E	78.5	Confident	73.5	Confident	71 Å²	71	99.2 Å²	99.2	33%	0.332	53%	0.531	S	S	.	.	H	α-helix	trans	-67.8	-33.6	177.7	-54.2	91.9	154.4	0	0	112.2	F23 Y29	F23-E25 PolarHBondContact O-N 2.91Å; E25-Y29 WeakPolarHBondContact O-CB 3.42Å; E25-Y29 PolarHBondContact O-N 3.25Å
26	V	80.8	Confident	75.9	Confident	75 Å²	75	93 Å²	93	46%	0.455	50%	0.499	S	S	.	.	H	α-helix	trans	-70.1	-40.4	175.6	177.3	0	0	0	0	109.8	F23 P24 Y29 I30	F23-V26 HydrophobicContact CB-CB 3.91Å; F23-V26 HydrophobicContact CB-CG2 3.79Å; F23-V26 WeakPolarHBondContact O-CB 3.2Å; F23-V26 PolarHBondContact O-N 3.38Å; P24-V26 VanDerWaalsContact C-N 3.31Å; P24-V26 PolarHBondContact O-N 3.03Å; V26-Y29 WeakPolarHBondContact O-CB 3.48Å; V26-Y29 PolarHBondContact O-N 3.24Å; V26-I30 HydrophobicContact CG1-CD1 3.88Å; V26-I30 HydrophobicContact CG1-CG1 4.42Å; V26-I30 VanDerWaalsContact O-CG1 3.26Å; V26-I30 WeakPolarHBondContact O-CG1 3.18Å; V26-I30 PolarHBondContact O-N 3.4Å
27	D	85.8	Confident	78.4	Confident	76 Å²	76	89.4 Å²	89.4	41%	0.406	48%	0.482	S	S	.	.	H	α-helix	trans	-66.7	-39.7	176.7	-72.1	-12.7	0	0	0	112.3	S21 F23 P24 Y29 I30 S31	S21-D27 WeakPolarHBondContact CB-OD2 3.34Å; S21-D27 PolarHBondContact OG-OD2 3.28Å; F23-D27 PolarHBondContact O-N 3.47Å; F23-D27 VanDerWaalsContact O-N 3.16Å; P24-D27 PolarHBondContact O-N 3.24Å; D27-Y29 VanDerWaalsContact C-N 3.34Å; D27-I30 PolarHBondContact O-N 3.45Å; D27-S31 VanDerWaalsContact O-CB 3.28Å; D27-S31 WeakPolarHBondContact O-CB 3.28Å; D27-S31 PolarHBondContact O-N 3Å
28	E	86.7	Confident	80.9	Confident	102 Å²	102	89.9 Å²	89.9	48%	0.477	47%	0.473	S	S	.	.	H	α-helix	trans	-63.4	-42.8	174.3	-168.4	178.2	-174.8	0	0	111.1	P24 S31 L32 L126	P24-E28 PolarHBondContact O-N 3.16Å; E28-S31 WeakPolarHBondContact O-CB 3.44Å; E28-S31 PolarHBondContact O-N 3.41Å; E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3.33Å; E28-L126 HydrophobicContact CB-CD1 4.37Å; E28-L126 HydrophobicContact CG-CD1 3.9Å; E28-L126 HydrophobicContact CG-CD2 4.43Å; E28-L126 VanDerWaalsContact OE2-CD2 3.27Å; E28-L126 WeakPolarHBondContact OE2-CD2 3.5Å
29	Y	86.2	Confident	82.9	Confident	101 Å²	101	85 Å²	85	40%	0.396	45%	0.45	S	S	.	.	H	α-helix	trans	-58.9	-49.5	173.2	174.3	-94.9	0	0	0	111.9	E25 V26 D27 S31 L32 M33 V123	E25-Y29 WeakPolarHBondContact O-CB 3.42Å; E25-Y29 PolarHBondContact O-N 3.25Å; V26-Y29 WeakPolarHBondContact O-CB 3.48Å; V26-Y29 PolarHBondContact O-N 3.24Å; D27-Y29 VanDerWaalsContact C-N 3.34Å; Y29-S31 VanDerWaalsContact C-N 3.32Å; Y29-S31 PolarHBondContact O-N 3.36Å; Y29-L32 PolarHBondContact O-N 3.4Å; Y29-M33 HydrophobicContact CD1-CG 4.27Å; Y29-M33 HydrophobicContact CD2-CG 4.4Å; Y29-M33 HydrophobicContact CE1-CG 3.79Å; Y29-M33 HydrophobicContact CE2-CG 3.92Å; Y29-M33 HydrophobicContact CE2-SD 4.24Å; Y29-M33 WeakPolarHBondContact O-CG 3.44Å; Y29-M33 PolarHBondContact O-N 3.25Å; Y29-V123 HydrophobicContact CD2-CG1 4Å; Y29-V123 HydrophobicContact CD2-CG2 3.93Å; Y29-V123 HydrophobicContact CE2-CB 4.33Å; Y29-V123 HydrophobicContact CE2-CG1 3.6Å; Y29-V123 HydrophobicContact CE2-CG2 3.74Å
30	I	87.8	Confident	84.9	Confident	88 Å²	88	81.1 Å²	81.1	45%	0.451	42%	0.424	S	S	.	.	H	α-helix	trans	-59.4	-45.2	177.6	-70.4	167.4	0	0	0	110.1	V26 D27 L32 M33 T34	V26-I30 HydrophobicContact CG1-CD1 3.88Å; V26-I30 HydrophobicContact CG1-CG1 4.42Å; V26-I30 VanDerWaalsContact O-CG1 3.26Å; V26-I30 WeakPolarHBondContact O-CG1 3.18Å; V26-I30 PolarHBondContact O-N 3.4Å; D27-I30 PolarHBondContact O-N 3.45Å; I30-L32 PolarHBondContact O-N 2.88Å; I30-M33 PolarHBondContact O-N 3.37Å; I30-T34 WeakPolarHBondContact O-CB 3.25Å; I30-T34 PolarHBondContact O-N 2.75Å; I30-T34 PolarHBondContact O-OG1 3.3Å
31	S	90.9	Very high	86.6	Confident	49 Å²	49	77.4 Å²	77.4	34%	0.343	41%	0.408	S	S	.	.	H	α-helix	trans	-58.6	-45.8	177.7	-176	0	0	0	0	112.2	D27 E28 Y29 T34 K35	D27-S31 VanDerWaalsContact O-CB 3.28Å; D27-S31 WeakPolarHBondContact O-CB 3.28Å; D27-S31 PolarHBondContact O-N 3Å; E28-S31 WeakPolarHBondContact O-CB 3.44Å; E28-S31 PolarHBondContact O-N 3.41Å; Y29-S31 VanDerWaalsContact C-N 3.32Å; Y29-S31 PolarHBondContact O-N 3.36Å; S31-T34 PolarHBondContact O-N 3.41Å; S31-K35 WeakPolarHBondContact O-CG 3.44Å; S31-K35 PolarHBondContact O-N 2.93Å
32	L	89.8	Confident	87.9	Confident	27 Å²	27	80.1 Å²	80.1	14%	0.141	42%	0.418	C	S	.	.	H	α-helix	trans	-63	-44.8	176.3	-79.6	170.8	0	0	0	112.4	E28 Y29 I30 K35 V36 N119 K122 L126	E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3.33Å; Y29-L32 PolarHBondContact O-N 3.4Å; I30-L32 PolarHBondContact O-N 2.88Å; L32-K35 PolarHBondContact O-N 3.47Å; L32-V36 WeakPolarHBondContact O-CG2 3.44Å; L32-V36 PolarHBondContact O-N 3.23Å; L32-N119 PolarHBondContact O-ND2 3.27Å; L32-K122 HydrophobicContact CD1-CB 4.24Å; L32-K122 HydrophobicContact CD2-CD 4.03Å; L32-L126 HydrophobicContact CD1-CD1 3.27Å; L32-L126 HydrophobicContact CD1-CG 4.27Å
33	M	89.3	Confident	88.8	Confident	62 Å²	62	75.5 Å²	75.5	31%	0.305	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-43.1	178.5	-71.1	-55.2	-59.5	0	0	111.3	Y29 I30 V36 V37 N119 V123	Y29-M33 HydrophobicContact CD1-CG 4.27Å; Y29-M33 HydrophobicContact CD2-CG 4.4Å; Y29-M33 HydrophobicContact CE1-CG 3.79Å; Y29-M33 HydrophobicContact CE2-CG 3.92Å; Y29-M33 HydrophobicContact CE2-SD 4.24Å; Y29-M33 WeakPolarHBondContact O-CG 3.44Å; Y29-M33 PolarHBondContact O-N 3.25Å; I30-M33 PolarHBondContact O-N 3.37Å; M33-V36 PolarHBondContact O-N 3.1Å; M33-V37 WeakPolarHBondContact O-CG2 3.18Å; M33-V37 PolarHBondContact O-N 3.41Å; M33-N119 PolarHBondContact SD-OD1 3.29Å; M33-N119 VanDerWaalsContact SD-OD1 3.39Å; M33-V123 HydrophobicContact SD-CG2 4.24Å
34	T	92.6	Very high	89.7	Confident	67 Å²	67	74.6 Å²	74.6	41%	0.411	39%	0.386	S	S	.	.	H	α-helix	trans	-58.8	-50.2	176.4	-62.8	0	0	0	0	111.3	I30 S31 V36 V37 E38	I30-T34 WeakPolarHBondContact O-CB 3.25Å; I30-T34 PolarHBondContact O-N 2.75Å; I30-T34 PolarHBondContact O-OG1 3.3Å; S31-T34 PolarHBondContact O-N 3.41Å; T34-V36 PolarHBondContact O-N 2.9Å; T34-V37 PolarHBondContact O-N 2.87Å; T34-V37 VanDerWaalsContact O-N 3.11Å; T34-E38 HydrophobicContact CG2-CG 4.49Å; T34-E38 WeakPolarHBondContact O-CG 3.44Å; T34-E38 PolarHBondContact O-N 3.42Å
35	K	91.3	Very high	90.5	Very high	117 Å²	117	74.3 Å²	74.3	51%	0.509	39%	0.39	S	S	.	.	H	α-helix	trans	-57	-36.8	178.5	-74	171.6	-176.3	172	0	112.9	S31 L32 T39	S31-K35 WeakPolarHBondContact O-CG 3.44Å; S31-K35 PolarHBondContact O-N 2.93Å; L32-K35 PolarHBondContact O-N 3.47Å; K35-T39 WeakPolarHBondContact O-CB 3.44Å; K35-T39 PolarHBondContact O-N 2.93Å; K35-T39 PolarHBondContact O-OG1 2.88Å
36	V	91.1	Very high	91.3	Very high	20 Å²	20	74.8 Å²	74.8	12%	0.121	39%	0.392	C	S	.	.	H	α-helix	trans	-73.2	-42.4	177.6	169.2	0	0	0	0	112.2	L32 M33 T34 E38 T39 I40 N119	L32-V36 WeakPolarHBondContact O-CG2 3.44Å; L32-V36 PolarHBondContact O-N 3.23Å; M33-V36 PolarHBondContact O-N 3.1Å; T34-V36 PolarHBondContact O-N 2.9Å; V36-E38 VanDerWaalsContact C-N 3.26Å; V36-E38 PolarHBondContact O-N 2.94Å; V36-T39 PolarHBondContact O-N 3.38Å; V36-I40 HydrophobicContact CG1-CD1 3.5Å; V36-I40 VanDerWaalsContact CG1-CD1 3.5Å; V36-I40 HydrophobicContact CG1-CG1 4.09Å; V36-I40 WeakPolarHBondContact O-CB 3.41Å; V36-I40 VanDerWaalsContact O-CG1 3.24Å; V36-I40 WeakPolarHBondContact O-CG1 3.41Å; V36-I40 PolarHBondContact O-N 3.42Å; V36-N119 HydrophobicContact CB-CB 4.44Å; V36-N119 HydrophobicContact CG1-CB 4.44Å; V36-N119 HydrophobicContact CG2-CB 3.41Å; V36-N119 VanDerWaalsContact CG2-CB 3.41Å; V36-N119 VanDerWaalsContact CG2-CG 3.43Å; V36-N119 WeakPolarHBondContact CG2-ND2 3.27Å
37	V	92.8	Very high	92	Very high	84 Å²	84	74.3 Å²	74.3	51%	0.509	38%	0.382	S	S	.	.	H	α-helix	trans	-59.3	-43.1	175.4	170.1	0	0	0	0	110.2	M33 T34 T41	M33-V37 WeakPolarHBondContact O-CG2 3.18Å; M33-V37 PolarHBondContact O-N 3.41Å; T34-V37 PolarHBondContact O-N 2.87Å; T34-V37 VanDerWaalsContact O-N 3.11Å; V37-T41 VanDerWaalsContact O-CB 3.24Å; V37-T41 WeakPolarHBondContact O-CB 3.39Å; V37-T41 PolarHBondContact O-N 3.15Å; V37-T41 PolarHBondContact O-OG1 3.35Å
38	E	94.4	Very high	92.5	Very high	118 Å²	118	77.8 Å²	77.8	55%	0.551	39%	0.39	S	S	*	.	H	α-helix	trans	-60.4	-49.7	174.7	-70.9	172.2	170.3	0	0	111.5	T34 V36 I40 T41 L42	T34-E38 HydrophobicContact CG2-CG 4.49Å; T34-E38 WeakPolarHBondContact O-CG 3.44Å; T34-E38 PolarHBondContact O-N 3.42Å; V36-E38 VanDerWaalsContact C-N 3.26Å; V36-E38 PolarHBondContact O-N 2.94Å; E38-I40 PolarHBondContact O-N 3.42Å; E38-T41 WeakPolarHBondContact O-CB 3.42Å; E38-T41 PolarHBondContact O-N 2.77Å; E38-T41 VanDerWaalsContact O-N 3.16Å; E38-L42 PolarHBondContact O-N 3.2Å
39	T	93	Very high	93	Very high	53 Å²	53	75.9 Å²	75.9	33%	0.325	39%	0.391	S	S	.	.	H	α-helix	trans	-60.3	-46.9	179.3	-60.4	0	0	0	0	111.9	K35 V36 T41 L42 Y43 A115	K35-T39 WeakPolarHBondContact O-CB 3.44Å; K35-T39 PolarHBondContact O-N 2.93Å; K35-T39 PolarHBondContact O-OG1 2.88Å; V36-T39 PolarHBondContact O-N 3.38Å; T39-T41 VanDerWaalsContact C-N 3.3Å; T39-T41 PolarHBondContact O-N 3.04Å; T39-L42 PolarHBondContact O-N 3.45Å; T39-Y43 HydrophobicContact CG2-CD2 3.83Å; T39-Y43 HydrophobicContact CG2-CE2 3.36Å; T39-Y43 WeakPolarHBondContact O-CD2 3.49Å; T39-Y43 PolarHBondContact O-N 3.3Å; T39-A115 HydrophobicContact CG2-CB 4.3Å
40	I	92.9	Very high	93.5	Very high	44 Å²	44	72.4 Å²	72.4	23%	0.226	38%	0.379	C	S	.	.	H	α-helix	trans	-63.8	-38.6	176.8	-68.6	172.3	0	0	0	110.5	V36 E38 Y43 K44 I112 I116	V36-I40 HydrophobicContact CG1-CD1 3.5Å; V36-I40 VanDerWaalsContact CG1-CD1 3.5Å; V36-I40 HydrophobicContact CG1-CG1 4.09Å; V36-I40 WeakPolarHBondContact O-CB 3.41Å; V36-I40 VanDerWaalsContact O-CG1 3.24Å; V36-I40 WeakPolarHBondContact O-CG1 3.41Å; V36-I40 PolarHBondContact O-N 3.42Å; E38-I40 PolarHBondContact O-N 3.42Å; I40-Y43 PolarHBondContact O-N 3.01Å; I40-K44 WeakPolarHBondContact O-CB 3.35Å; I40-K44 PolarHBondContact O-N 3.48Å; I40-I112 HydrophobicContact CG1-CG2 4.38Å; I40-I112 HydrophobicContact CG2-CG2 4.41Å; I40-I116 HydrophobicContact CD1-CD1 3.98Å; I40-I116 HydrophobicContact CD1-CG1 3.56Å; I40-I116 HydrophobicContact CG1-CG1 4.43Å
41	T	95	Very high	93.8	Very high	85 Å²	85	71.1 Å²	71.1	52%	0.521	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-43.6	178	-62.7	0	0	0	0	111.1	V37 E38 T39 K44 A45	V37-T41 VanDerWaalsContact O-CB 3.24Å; V37-T41 WeakPolarHBondContact O-CB 3.39Å; V37-T41 PolarHBondContact O-N 3.15Å; V37-T41 PolarHBondContact O-OG1 3.35Å; E38-T41 WeakPolarHBondContact O-CB 3.42Å; E38-T41 PolarHBondContact O-N 2.77Å; E38-T41 VanDerWaalsContact O-N 3.16Å; T39-T41 VanDerWaalsContact C-N 3.3Å; T39-T41 PolarHBondContact O-N 3.04Å; T41-K44 PolarHBondContact O-N 3.06Å; T41-A45 PolarHBondContact O-N 3.03Å
42	L	95.4	Very high	94	Very high	102 Å²	102	75.2 Å²	75.2	53%	0.534	39%	0.389	S	S	.	.	H	α-helix	trans	-60	-53.3	174.5	-172.7	107.2	0	0	0	111.1	E38 T39 K44 A45 E46	E38-L42 PolarHBondContact O-N 3.2Å; T39-L42 PolarHBondContact O-N 3.45Å; L42-K44 VanDerWaalsContact C-N 3.27Å; L42-K44 PolarHBondContact O-N 2.91Å; L42-A45 WeakPolarHBondContact O-CB 3.35Å; L42-A45 PolarHBondContact O-N 3.01Å; L42-E46 PolarHBondContact O-N 3.07Å
43	Y	95.2	Very high	94.3	Very high	52 Å²	52	80.9 Å²	80.9	20%	0.204	41%	0.408	C	S	.	.	H	α-helix	trans	-61.9	-34.7	179.2	-69.6	-37.8	0	0	0	113.1	T39 I40 A45 E46 Y47 I108 K111 I112	T39-Y43 HydrophobicContact CG2-CD2 3.83Å; T39-Y43 HydrophobicContact CG2-CE2 3.36Å; T39-Y43 WeakPolarHBondContact O-CD2 3.49Å; T39-Y43 PolarHBondContact O-N 3.3Å; I40-Y43 PolarHBondContact O-N 3.01Å; Y43-A45 VanDerWaalsContact C-N 3.31Å; Y43-A45 PolarHBondContact O-N 3.28Å; Y43-E46 PolarHBondContact O-N 3.48Å; Y43-Y47 WeakPolarHBondContact O-CB 3.31Å; Y43-Y47 PolarHBondContact O-N 3.18Å; Y43-I108 HydrophobicContact CG-CG2 4.48Å; Y43-I108 VanDerWaalsContact O-CG2 3.32Å; Y43-I108 WeakPolarHBondContact O-CG2 3.42Å; Y43-K111 HydrophobicContact CD2-CB 4.32Å; Y43-K111 HydrophobicContact CE1-CB 4.31Å; Y43-K111 HydrophobicContact CE1-CD 3.98Å; Y43-K111 HydrophobicContact CE2-CB 3.94Å; Y43-I112 HydrophobicContact CD2-CG1 3.86Å; Y43-I112 HydrophobicContact CG-CG1 4Å
44	K	94.5	Very high	94.6	Very high	108 Å²	108	78.6 Å²	78.6	47%	0.47	40%	0.398	S	S	.	.	H	α-helix	trans	-65.1	-36.7	174.7	-174.3	177.2	-177.8	177.9	0	111.6	I40 T41 L42 R48	I40-K44 WeakPolarHBondContact O-CB 3.35Å; I40-K44 PolarHBondContact O-N 3.48Å; T41-K44 PolarHBondContact O-N 3.06Å; L42-K44 VanDerWaalsContact C-N 3.27Å; L42-K44 PolarHBondContact O-N 2.91Å; K44-R48 WeakPolarHBondContact O-CB 3.48Å; K44-R48 VanDerWaalsContact O-CG 3.29Å; K44-R48 WeakPolarHBondContact O-CG 3.38Å; K44-R48 PolarHBondContact O-N 2.93Å
45	A	96.1	Very high	94.6	Very high	60 Å²	60	78.7 Å²	78.7	50%	0.496	40%	0.401	S	S	.	.	H	α-helix	trans	-65.9	-46	174.1	0	0	0	0	0	111.2	T41 L42 Y43 Y47 R48 A49	T41-A45 PolarHBondContact O-N 3.03Å; L42-A45 WeakPolarHBondContact O-CB 3.35Å; L42-A45 PolarHBondContact O-N 3.01Å; Y43-A45 VanDerWaalsContact C-N 3.31Å; Y43-A45 PolarHBondContact O-N 3.28Å; A45-Y47 PolarHBondContact O-N 3.36Å; A45-R48 PolarHBondContact O-N 2.9Å; A45-A49 PolarHBondContact O-N 2.96Å
46	E	96	Very high	94.7	Very high	80 Å²	80	78.8 Å²	78.8	37%	0.374	41%	0.407	S	S	.	.	H	α-helix	trans	-60.3	-45.2	175.4	-66.1	179.8	179.4	0	0	112.1	L42 Y43 R48 A49 L50 I108	L42-E46 PolarHBondContact O-N 3.07Å; Y43-E46 PolarHBondContact O-N 3.48Å; E46-R48 VanDerWaalsContact C-N 3.32Å; E46-R48 PolarHBondContact O-N 3.49Å; E46-A49 PolarHBondContact O-N 3.41Å; E46-L50 PolarHBondContact O-N 3.43Å; E46-I108 HydrophobicContact CB-CD1 3.63Å
47	Y	96.3	Very high	94.9	Very high	65 Å²	65	78.6 Å²	78.6	26%	0.255	41%	0.405	S	S	.	.	H	α-helix	trans	-57.5	-45	175.9	179.2	-87.4	0	0	0	111.4	Y43 A45 L50 D51 K105 L109	Y43-Y47 WeakPolarHBondContact O-CB 3.31Å; Y43-Y47 PolarHBondContact O-N 3.18Å; A45-Y47 PolarHBondContact O-N 3.36Å; Y47-L50 PolarHBondContact O-N 3.4Å; Y47-D51 HydrophobicContact CE1-CB 4.4Å; Y47-D51 WeakPolarHBondContact O-CB 3.36Å; Y47-D51 PolarHBondContact O-N 2.75Å; Y47-K105 HydrophobicContact CD2-CB 4.09Å; Y47-K105 HydrophobicContact CD2-CG 4.28Å; Y47-K105 HydrophobicContact CE2-CB 3.8Å; Y47-K105 HydrophobicContact CE2-CG 4.14Å; Y47-K105 VanDerWaalsContact CZ-CE 3.47Å; Y47-K105 WeakPolarHBondContact OH-CE 3.34Å; Y47-L109 HydrophobicContact CD2-CD1 4.47Å; Y47-L109 HydrophobicContact CD2-CD2 3.95Å; Y47-L109 HydrophobicContact CD2-CG 3.9Å; Y47-L109 HydrophobicContact CE2-CD1 3.75Å; Y47-L109 HydrophobicContact CE2-CD2 3.88Å; Y47-L109 HydrophobicContact CE2-CG 3.69Å
48	R	96.3	Very high	94.8	Very high	150 Å²	150	76.7 Å²	76.7	57%	0.566	40%	0.398	S	S	*	.	H	α-helix	trans	-64.1	-39.4	177.7	-76.7	174.7	173.4	-167.4	-3.9	112.3	K44 A45 E46 D51 M52	K44-R48 WeakPolarHBondContact O-CB 3.48Å; K44-R48 VanDerWaalsContact O-CG 3.29Å; K44-R48 WeakPolarHBondContact O-CG 3.38Å; K44-R48 PolarHBondContact O-N 2.93Å; A45-R48 PolarHBondContact O-N 2.9Å; E46-R48 VanDerWaalsContact C-N 3.32Å; E46-R48 PolarHBondContact O-N 3.49Å; R48-D51 PolarHBondContact O-N 2.93Å; R48-M52 WeakPolarHBondContact O-CG 3.38Å; R48-M52 PolarHBondContact O-N 3.24Å
49	A	96.1	Very high	94.7	Very high	62 Å²	62	74 Å²	74	51%	0.512	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-44.2	176.1	0	0	0	0	0	111.4	A45 E46 R53	A45-A49 PolarHBondContact O-N 2.96Å; E46-A49 PolarHBondContact O-N 3.41Å; A49-R53 PolarHBondContact O-N 3.29Å; A49-R53 VanDerWaalsContact O-N 3.08Å
50	L	96	Very high	94.8	Very high	27 Å²	27	75.6 Å²	75.6	14%	0.141	40%	0.4	C	S	.	.	H	α-helix	trans	-64.7	-40	174	-68.8	-176.7	0	0	0	112.4	E46 Y47 R53 C54 L101 M104 K105 I108	E46-L50 PolarHBondContact O-N 3.43Å; Y47-L50 PolarHBondContact O-N 3.4Å; L50-R53 PolarHBondContact O-N 2.92Å; L50-C54 PolarHBondContact O-N 3.44Å; L50-L101 HydrophobicContact CD2-CD2 3.82Å; L50-M104 HydrophobicContact CD1-CB 3.62Å; L50-K105 HydrophobicContact CB-CD 4.3Å; L50-K105 HydrophobicContact CB-CG 3.59Å; L50-K105 HydrophobicContact CD1-CG 4.04Å; L50-I108 HydrophobicContact CD1-CD1 3.44Å; L50-I108 VanDerWaalsContact CD1-CD1 3.44Å; L50-I108 HydrophobicContact CD1-CG1 4.39Å; L50-I108 HydrophobicContact CG-CD1 4.29Å
51	D	95.2	Very high	94.7	Very high	62 Å²	62	75.2 Å²	75.2	33%	0.332	40%	0.398	S	S	.	.	H	α-helix	trans	-61.4	-47.3	178.3	-167	53.9	0	0	0	111.7	Y47 R48 R53 C54 S55 K105	Y47-D51 HydrophobicContact CE1-CB 4.4Å; Y47-D51 WeakPolarHBondContact O-CB 3.36Å; Y47-D51 PolarHBondContact O-N 2.75Å; R48-D51 PolarHBondContact O-N 2.93Å; D51-R53 VanDerWaalsContact C-N 3.32Å; D51-R53 PolarHBondContact O-N 2.85Å; D51-C54 WeakPolarHBondContact O-CB 3.32Å; D51-C54 PolarHBondContact O-N 2.95Å; D51-S55 PolarHBondContact O-N 2.83Å; D51-S55 PolarHBondContact O-OG 3.25Å; D51-K105 WeakPolarHBondContact OD1-CE 3.34Å; D51-K105 IonicContact OD1-NZ 2.64Å; D51-K105 PolarHBondContact OD1-NZ 3.38Å
52	M	95.7	Very high	94.6	Very high	134 Å²	134	76.8 Å²	76.8	66%	0.66	40%	0.4	S	S	*	.	H	α-helix	trans	-59.1	-43.3	173.7	-73.6	-172.1	176.5	0	0	111.9	R48 S55 L56	R48-M52 WeakPolarHBondContact O-CG 3.38Å; R48-M52 PolarHBondContact O-N 3.24Å; M52-S55 PolarHBondContact O-N 3.4Å; M52-L56 WeakPolarHBondContact O-CB 3.31Å; M52-L56 VanDerWaalsContact O-CG 3.31Å; M52-L56 WeakPolarHBondContact O-CG 3.48Å; M52-L56 PolarHBondContact O-N 3.08Å
53	R	96.3	Very high	94.6	Very high	147 Å²	147	75.5 Å²	75.5	56%	0.555	40%	0.397	S	S	*	.	H	α-helix	trans	-63.9	-42.4	177.9	-168.1	175.7	170.9	178.6	-2	111.8	A49 L50 D51 L56 L57 L101	A49-R53 PolarHBondContact O-N 3.29Å; A49-R53 VanDerWaalsContact O-N 3.08Å; L50-R53 PolarHBondContact O-N 2.92Å; D51-R53 VanDerWaalsContact C-N 3.32Å; D51-R53 PolarHBondContact O-N 2.85Å; R53-L56 PolarHBondContact O-N 3.41Å; R53-L57 WeakPolarHBondContact O-CG 3.38Å; R53-L57 PolarHBondContact O-N 3.05Å; R53-L101 HydrophobicContact CB-CD1 4.16Å; R53-L101 HydrophobicContact CG-CD1 3.7Å; R53-L101 HydrophobicContact CG-CD2 4.22Å
54	C	93.6	Very high	94.6	Very high	13 Å²	13	73.2 Å²	73.2	9%	0.088	39%	0.389	C	S	.	.	H	α-helix	trans	-56.8	-49.8	172	-81.5	0	0	0	0	111.4	L50 D51 L56 L57 A58 L101	L50-C54 PolarHBondContact O-N 3.44Å; D51-C54 WeakPolarHBondContact O-CB 3.32Å; D51-C54 PolarHBondContact O-N 2.95Å; C54-L56 VanDerWaalsContact C-N 3.33Å; C54-L56 PolarHBondContact O-N 3.16Å; C54-L57 PolarHBondContact O-N 3.45Å; C54-A58 VanDerWaalsContact O-CB 3.31Å; C54-A58 WeakPolarHBondContact O-CB 3.45Å; C54-A58 PolarHBondContact O-N 3.49Å; C54-L101 WeakPolarHBondContact SG-CB 3.24Å
55	S	92.9	Very high	94.4	Very high	69 Å²	69	71.7 Å²	71.7	48%	0.483	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-41.1	-179.9	-60.8	0	0	0	0	112.2	D51 M52 A58 A59	D51-S55 PolarHBondContact O-N 2.83Å; D51-S55 PolarHBondContact O-OG 3.25Å; M52-S55 PolarHBondContact O-N 3.4Å; S55-A58 PolarHBondContact O-N 2.9Å; S55-A59 WeakPolarHBondContact O-CB 3.31Å; S55-A59 PolarHBondContact O-N 3.09Å
56	L	95.1	Very high	94.3	Very high	120 Å²	120	76.6 Å²	76.6	63%	0.628	39%	0.394	S	S	*	.	H	α-helix	trans	-64.6	-41.8	177	-73.6	170.9	0	0	0	112.2	M52 R53 C54 Q60	M52-L56 WeakPolarHBondContact O-CB 3.31Å; M52-L56 VanDerWaalsContact O-CG 3.31Å; M52-L56 WeakPolarHBondContact O-CG 3.48Å; M52-L56 PolarHBondContact O-N 3.08Å; R53-L56 PolarHBondContact O-N 3.41Å; C54-L56 VanDerWaalsContact C-N 3.33Å; C54-L56 PolarHBondContact O-N 3.16Å; L56-Q60 PolarHBondContact O-N 2.92Å
57	L	94.2	Very high	94.2	Very high	16 Å²	16	77.5 Å²	77.5	8%	0.084	40%	0.398	C	S	.	.	H	α-helix	trans	-68.6	-42.1	175.1	-69.5	-173.5	0	0	0	111.9	R53 C54 A59 Q60 L94 Q97 V98 L101	R53-L57 WeakPolarHBondContact O-CG 3.38Å; R53-L57 PolarHBondContact O-N 3.05Å; C54-L57 PolarHBondContact O-N 3.45Å; L57-A59 VanDerWaalsContact C-N 3.27Å; L57-A59 PolarHBondContact O-N 3.5Å; L57-Q60 WeakPolarHBondContact O-CB 3.45Å; L57-Q60 PolarHBondContact O-N 2.95Å; L57-L94 HydrophobicContact CD2-CD2 3.99Å; L57-Q97 HydrophobicContact CD1-CB 3.64Å; L57-V98 HydrophobicContact CB-CG2 3.64Å; L57-V98 HydrophobicContact CD1-CG2 4.37Å; L57-L101 HydrophobicContact CD1-CD1 3.46Å; L57-L101 VanDerWaalsContact CD1-CD1 3.46Å; L57-L101 HydrophobicContact CG-CD1 4.36Å
58	A	90	Very high	94	Very high	44 Å²	44	76 Å²	76	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-61.6	-36.3	176.6	0	0	0	0	0	111.9	C54 S55 Q60 L61	C54-A58 VanDerWaalsContact O-CB 3.31Å; C54-A58 WeakPolarHBondContact O-CB 3.45Å; C54-A58 PolarHBondContact O-N 3.49Å; S55-A58 PolarHBondContact O-N 2.9Å; A58-Q60 PolarHBondContact O-N 3.34Å; A58-L61 WeakPolarHBondContact O-CB 3.42Å; A58-L61 PolarHBondContact O-N 3.31Å
59	A	93.2	Very high	93.8	Very high	62 Å²	62	72.2 Å²	72.2	51%	0.512	40%	0.396	S	S	.	.	H	α-helix	trans	-62.4	-27.9	174.8	0	0	0	0	0	112.8	S55 L57 L61 P63	S55-A59 WeakPolarHBondContact O-CB 3.31Å; S55-A59 PolarHBondContact O-N 3.09Å; L57-A59 VanDerWaalsContact C-N 3.27Å; L57-A59 PolarHBondContact O-N 3.5Å; A59-L61 VanDerWaalsContact C-N 3.33Å; A59-P63 WeakPolarHBondContact O-CD 3.26Å
60	Q	95.1	Very high	93.7	Very high	85 Å²	85	72 Å²	72	40%	0.397	39%	0.394	S	S	.	.	H	α-helix	trans	-74.6	-21.6	175.2	-62.4	176.4	39.5	0	0	113	L56 L57 A58 P63 L64 L94	L56-Q60 PolarHBondContact O-N 2.92Å; L57-Q60 WeakPolarHBondContact O-CB 3.45Å; L57-Q60 PolarHBondContact O-N 2.95Å; A58-Q60 PolarHBondContact O-N 3.34Å; Q60-P63 WeakPolarHBondContact O-CD 3.43Å; Q60-L64 WeakPolarHBondContact O-CG 3.38Å; Q60-L94 HydrophobicContact CB-CD1 3.99Å; Q60-L94 HydrophobicContact CB-CD2 4.44Å
61	L	91.6	Very high	93.6	Very high	36 Å²	36	72 Å²	72	19%	0.188	39%	0.394	C	S	.	.	H	α-helix	trans	-68.9	-36.8	178.2	-71.1	170.2	0	0	0	111.7	A58 A59 L64 V65 I91 L94	A58-L61 WeakPolarHBondContact O-CB 3.42Å; A58-L61 PolarHBondContact O-N 3.31Å; A59-L61 VanDerWaalsContact C-N 3.33Å; L61-L64 PolarHBondContact O-N 3.34Å; L61-L64 VanDerWaalsContact O-N 3.15Å; L61-V65 WeakPolarHBondContact O-CG2 3.49Å; L61-V65 PolarHBondContact O-N 3.19Å; L61-I91 HydrophobicContact CD2-CG2 4.29Å; L61-L94 HydrophobicContact CD2-CB 3.66Å; L61-L94 HydrophobicContact CD2-CD1 4.15Å; L61-L94 HydrophobicContact CG-CB 4.32Å
62	Q	91.4	Very high	93.3	Very high	118 Å²	118	79.7 Å²	79.7	55%	0.551	42%	0.419	S	S	*	.	H	α-helix	trans	-61	-47.2	-174.4	-175.6	-175.8	22.9	0	0	113.3	L64 V65 R66	Q62-L64 VanDerWaalsContact C-N 3.32Å; Q62-L64 PolarHBondContact O-N 2.98Å; Q62-V65 PolarHBondContact O-N 2.97Å; Q62-R66 WeakPolarHBondContact O-CG 3.33Å; Q62-R66 PolarHBondContact O-N 3.48Å; Q62-R66 VanDerWaalsContact O-N 3.1Å
63	P	95.1	Very high	93.2	Very high	75 Å²	75	78.8 Å²	78.8	49%	0.487	42%	0.42	S	S	.	.	H	α-helix	trans	-57.4	-41.5	172.6	-26.4	34.7	0	0	0	113.5	A59 Q60 R66 E67	A59-P63 WeakPolarHBondContact O-CD 3.26Å; Q60-P63 WeakPolarHBondContact O-CD 3.43Å; P63-R66 WeakPolarHBondContact O-CB 3.28Å; P63-R66 PolarHBondContact O-N 3.24Å; P63-E67 PolarHBondContact O-N 3.06Å
64	L	95.2	Very high	93	Very high	5 Å²	5	73.5 Å²	73.5	3%	0.026	41%	0.406	C	S	.	.	H	α-helix	trans	-68.9	-37.9	-178.7	-59.7	176.4	0	0	0	112.3	Q60 L61 Q62 R66 E67 A68 L87 R90 I91 L94	Q60-L64 WeakPolarHBondContact O-CG 3.38Å; L61-L64 PolarHBondContact O-N 3.34Å; L61-L64 VanDerWaalsContact O-N 3.15Å; Q62-L64 VanDerWaalsContact C-N 3.32Å; Q62-L64 PolarHBondContact O-N 2.98Å; L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 2.84Å; L64-E67 PolarHBondContact O-N 2.64Å; L64-A68 WeakPolarHBondContact O-CB 3.35Å; L64-A68 PolarHBondContact O-N 3.34Å; L64-L87 HydrophobicContact CB-CD1 3.89Å; L64-L87 HydrophobicContact CD2-CD1 3.67Å; L64-L87 HydrophobicContact CG-CD1 4.32Å; L64-R90 HydrophobicContact CD1-CB 4.44Å; L64-R90 HydrophobicContact CD1-CG 3.81Å; L64-I91 HydrophobicContact CB-CD1 4.1Å; L64-I91 HydrophobicContact CB-CG1 3.72Å; L64-I91 HydrophobicContact CD1-CG1 4.12Å; L64-L94 HydrophobicContact CD1-CD1 3.31Å
65	V	91.1	Very high	93	Very high	76 Å²	76	79.5 Å²	79.5	46%	0.461	44%	0.442	S	S	.	.	H	α-helix	trans	-64.8	-36.9	174	172.3	0	0	0	0	110.9	L61 Q62 A68 S69	L61-V65 WeakPolarHBondContact O-CG2 3.49Å; L61-V65 PolarHBondContact O-N 3.19Å; Q62-V65 PolarHBondContact O-N 2.97Å; V65-A68 PolarHBondContact O-N 3.29Å; V65-S69 WeakPolarHBondContact O-CB 3.29Å; V65-S69 PolarHBondContact O-N 3.29Å; V65-S69 PolarHBondContact O-OG 3.39Å
66	R	93.7	Very high	93.1	Very high	162 Å²	162	80.2 Å²	80.2	61%	0.611	44%	0.441	S	S	*	.	H	α-helix	trans	-66	-43.2	173.9	-70.6	176.7	-172.8	-178.4	5.2	111.5	Q62 P63 L64 A68 S69 A70	Q62-R66 WeakPolarHBondContact O-CG 3.33Å; Q62-R66 PolarHBondContact O-N 3.48Å; Q62-R66 VanDerWaalsContact O-N 3.1Å; P63-R66 WeakPolarHBondContact O-CB 3.28Å; P63-R66 PolarHBondContact O-N 3.24Å; L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 2.84Å; R66-A68 VanDerWaalsContact C-N 3.32Å; R66-A68 PolarHBondContact O-N 3.32Å; R66-S69 WeakPolarHBondContact O-CB 3.49Å; R66-S69 PolarHBondContact O-N 2.91Å; R66-A70 PolarHBondContact O-N 3.47Å
67	E	94.6	Very high	93	Very high	99 Å²	99	81.6 Å²	81.6	46%	0.463	44%	0.443	S	S	.	.	H	α-helix	trans	-59.9	-43.3	174.8	-168.3	177.2	172.3	0	0	111.1	P63 L64 S69 A70 L71 L87	P63-E67 PolarHBondContact O-N 3.06Å; L64-E67 PolarHBondContact O-N 2.64Å; E67-S69 VanDerWaalsContact C-N 3.3Å; E67-S69 PolarHBondContact O-N 2.99Å; E67-A70 WeakPolarHBondContact O-CB 3.47Å; E67-A70 PolarHBondContact O-N 2.9Å; E67-A70 VanDerWaalsContact O-N 3.11Å; E67-L71 PolarHBondContact O-N 3.46Å; E67-L87 HydrophobicContact CB-CD1 4.28Å; E67-L87 HydrophobicContact CB-CD2 3.97Å; E67-L87 HydrophobicContact CG-CD1 4.35Å; E67-L87 HydrophobicContact CG-CD2 3.92Å
68	A	92	Very high	92.9	Very high	34 Å²	34	86.7 Å²	86.7	28%	0.281	47%	0.467	S	S	.	.	H	α-helix	trans	-64.7	-38.7	178.1	0	0	0	0	0	111.3	L64 V65 R66 A70 L71 R72 L87 I91	L64-A68 WeakPolarHBondContact O-CB 3.35Å; L64-A68 PolarHBondContact O-N 3.34Å; V65-A68 PolarHBondContact O-N 3.29Å; R66-A68 VanDerWaalsContact C-N 3.32Å; R66-A68 PolarHBondContact O-N 3.32Å; A68-A70 VanDerWaalsContact C-N 3.33Å; A68-L71 PolarHBondContact O-N 3.25Å; A68-R72 PolarHBondContact O-N 3.02Å; A68-L87 HydrophobicContact CB-CD2 3.58Å; A68-L87 HydrophobicContact CB-CG 4.41Å; A68-L87 VanDerWaalsContact N-CD2 3.28Å; A68-I91 HydrophobicContact CB-CD1 4.39Å
69	S	92.5	Very high	93	Very high	70 Å²	70	90.6 Å²	90.6	49%	0.49	47%	0.473	S	S	.	.	H	α-helix	trans	-65.5	-36.9	175.2	-58.1	0	0	0	0	111.8	V65 R66 E67 R72	V65-S69 WeakPolarHBondContact O-CB 3.29Å; V65-S69 PolarHBondContact O-N 3.29Å; V65-S69 PolarHBondContact O-OG 3.39Å; R66-S69 WeakPolarHBondContact O-CB 3.49Å; R66-S69 PolarHBondContact O-N 2.91Å; E67-S69 VanDerWaalsContact C-N 3.3Å; E67-S69 PolarHBondContact O-N 2.99Å; S69-R72 VanDerWaalsContact O-CB 3.28Å; S69-R72 WeakPolarHBondContact O-CB 3.49Å; S69-R72 PolarHBondContact O-N 3.36Å
70	A	93.8	Very high	93.1	Very high	58 Å²	58	88.4 Å²	88.4	48%	0.479	46%	0.455	S	S	.	.	H	α-helix	trans	-67.1	-37.5	176.2	0	0	0	0	0	112.1	R66 E67 A68 R72 V73 C74	R66-A70 PolarHBondContact O-N 3.47Å; E67-A70 WeakPolarHBondContact O-CB 3.47Å; E67-A70 PolarHBondContact O-N 2.9Å; E67-A70 VanDerWaalsContact O-N 3.11Å; A68-A70 VanDerWaalsContact C-N 3.33Å; A70-R72 PolarHBondContact O-N 3.02Å; A70-V73 WeakPolarHBondContact O-CG2 3.36Å; A70-V73 PolarHBondContact O-N 3.28Å; A70-V73 VanDerWaalsContact O-N 3.16Å; A70-C74 PolarHBondContact O-N 3.46Å
71	L	93.3	Very high	92.9	Very high	27 Å²	27	90 Å²	90	14%	0.141	47%	0.466	C	S	.	.	H	α-helix	trans	-61.1	-28.9	174.1	-66.5	177.8	0	0	0	112.5	E67 A68 V73 C74 Y79 C83 L87	E67-L71 PolarHBondContact O-N 3.46Å; A68-L71 PolarHBondContact O-N 3.25Å; L71-V73 PolarHBondContact O-N 2.84Å; L71-C74 WeakPolarHBondContact O-CB 3.41Å; L71-C74 PolarHBondContact O-N 3.22Å; L71-Y79 HydrophobicContact CD2-CE1 4.35Å; L71-C83 HydrophobicContact CD1-CB 3.8Å; L71-C83 HydrophobicContact CD2-CB 3.65Å; L71-C83 HydrophobicContact CG-CB 4.4Å; L71-L87 HydrophobicContact CD1-CD2 3.85Å
72	R	89	Confident	93.1	Very high	224 Å²	224	94 Å²	94	85%	0.845	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.5	177.9	-157	-175.8	91.7	179.9	6.6	113.8	A68 S69 A70	A68-R72 PolarHBondContact O-N 3.02Å; S69-R72 VanDerWaalsContact O-CB 3.28Å; S69-R72 WeakPolarHBondContact O-CB 3.49Å; S69-R72 PolarHBondContact O-N 3.36Å; A70-R72 PolarHBondContact O-N 3.02Å
73	V	92.7	Very high	93.2	Very high	114 Å²	114	89.9 Å²	89.9	69%	0.691	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	6.4	-179.9	-62.1	0	0	0	0	112.4	A70 L71	A70-V73 WeakPolarHBondContact O-CG2 3.36Å; A70-V73 PolarHBondContact O-N 3.28Å; A70-V73 VanDerWaalsContact O-N 3.16Å; L71-V73 PolarHBondContact O-N 2.84Å
74	C	92.1	Very high	93.2	Very high	37 Å²	37	88.2 Å²	88.2	25%	0.25	46%	0.457	C	S	.	.			trans	-70.5	131.6	176.7	-170.4	0	0	0	0	110.4	A70 L71 A80	A70-C74 PolarHBondContact O-N 3.46Å; L71-C74 WeakPolarHBondContact O-CB 3.41Å; L71-C74 PolarHBondContact O-N 3.22Å; C74-A80 HydrophobicContact CB-CB 4.13Å
75	T	94.3	Very high	93	Very high	138 Å²	138	97 Å²	97	85%	0.847	49%	0.49	S	S	*	.	S	Bend	trans	-75.3	-31.3	177.9	49.1	0	0	0	0	111.9	H77	T75-H77 PolarHBondContact O-N 3.21Å; T75-H77 PolarHBondContact O-ND1 2.91Å
76	D	95.6	Very high	93.2	Very high	85 Å²	85	97.2 Å²	97.2	46%	0.455	49%	0.493	S	S	.	.			trans	-80.3	98.5	174.9	-171.4	-23.1	0	0	0	110.5	H78 Y79 A80	D76-H78 VanDerWaalsContact C-N 3.29Å; D76-H78 PolarHBondContact O-N 3.45Å; D76-H78 PolarHBondContact OD1-N 3.01Å; D76-Y79 VanDerWaalsContact CG-CB 3.45Å; D76-Y79 PolarHBondContact OD1-N 3.04Å; D76-A80 WeakPolarHBondContact O-CB 3.41Å; D76-A80 PolarHBondContact O-N 3.48Å
77	H	91.8	Very high	93.3	Very high	148 Å²	148	90 Å²	90	69%	0.685	47%	0.466	S	S	*	.	H	α-helix	trans	-65.1	-32.7	-179.8	-79.4	53.6	0	0	0	112.8	T75 L81	T75-H77 PolarHBondContact O-N 3.21Å; T75-H77 PolarHBondContact O-ND1 2.91Å; H77-L81 WeakPolarHBondContact O-CB 3.2Å; H77-L81 WeakPolarHBondContact O-CG 3.44Å; H77-L81 PolarHBondContact O-N 3.43Å
78	H	92.8	Very high	93.3	Very high	124 Å²	124	90.9 Å²	90.9	57%	0.574	47%	0.472	S	S	*	.	H	α-helix	trans	-70.8	-48.7	-178.5	-171.8	49.5	0	0	0	109.8	D76 A80 L81 E82	D76-H78 VanDerWaalsContact C-N 3.29Å; D76-H78 PolarHBondContact O-N 3.45Å; D76-H78 PolarHBondContact OD1-N 3.01Å; H78-A80 VanDerWaalsContact C-N 3.31Å; H78-A80 PolarHBondContact O-N 3.38Å; H78-L81 PolarHBondContact O-N 3.34Å; H78-E82 IonicContact CE1-OE1 3.69Å; H78-E82 IonicContact NE2-OE1 3.47Å; H78-E82 PolarHBondContact NE2-OE1 3.04Å; H78-E82 WeakPolarHBondContact O-CG 3.33Å; H78-E82 PolarHBondContact O-N 2.93Å
79	Y	92.9	Very high	93.4	Very high	125 Å²	125	94.8 Å²	94.8	49%	0.49	49%	0.488	S	S	.	.	H	α-helix	trans	-57.3	-44.1	173	178.7	-97.4	0	0	0	112.2	L71 D76 L81 E82 C83	L71-Y79 HydrophobicContact CD2-CE1 4.35Å; D76-Y79 VanDerWaalsContact CG-CB 3.45Å; D76-Y79 PolarHBondContact OD1-N 3.04Å; Y79-L81 VanDerWaalsContact C-N 3.34Å; Y79-L81 PolarHBondContact O-N 3.45Å; Y79-E82 PolarHBondContact O-N 3.12Å; Y79-C83 VanDerWaalsContact CE2-SG 3.51Å; Y79-C83 WeakPolarHBondContact O-CB 3.46Å; Y79-C83 PolarHBondContact O-N 3.36Å; Y79-C83 PolarHBondContact O-SG 3.02Å
80	A	94	Very high	93.6	Very high	17 Å²	17	98.2 Å²	98.2	14%	0.14	49%	0.49	C	S	.	.	H	α-helix	trans	-59.9	-43.4	178.4	0	0	0	0	0	112.2	C74 D76 H78 S84	C74-A80 HydrophobicContact CB-CB 4.13Å; D76-A80 WeakPolarHBondContact O-CB 3.41Å; D76-A80 PolarHBondContact O-N 3.48Å; H78-A80 VanDerWaalsContact C-N 3.31Å; H78-A80 PolarHBondContact O-N 3.38Å; A80-S84 WeakPolarHBondContact O-CB 3.45Å; A80-S84 PolarHBondContact O-N 2.83Å; A80-S84 PolarHBondContact O-OG 3.04Å
81	L	92.2	Very high	93.7	Very high	119 Å²	119	96.8 Å²	96.8	62%	0.623	47%	0.474	S	S	*	.	H	α-helix	trans	-64.2	-47	176.4	-77.8	165.9	0	0	0	111.8	H77 H78 Y79 C83 S84	H77-L81 WeakPolarHBondContact O-CB 3.2Å; H77-L81 WeakPolarHBondContact O-CG 3.44Å; H77-L81 PolarHBondContact O-N 3.43Å; H78-L81 PolarHBondContact O-N 3.34Å; Y79-L81 VanDerWaalsContact C-N 3.34Å; Y79-L81 PolarHBondContact O-N 3.45Å; L81-C83 VanDerWaalsContact C-N 3.33Å; L81-C83 PolarHBondContact O-N 3.33Å; L81-S84 PolarHBondContact O-N 3.49Å; L81-S84 PolarHBondContact O-OG 3.02Å
82	E	94.2	Very high	93.8	Very high	119 Å²	119	97.3 Å²	97.3	56%	0.556	49%	0.486	S	S	*	.	H	α-helix	trans	-60.9	-40.8	179.1	-71.4	-168.6	152.1	0	0	112.4	H78 Y79 P86	H78-E82 IonicContact CE1-OE1 3.69Å; H78-E82 IonicContact NE2-OE1 3.47Å; H78-E82 PolarHBondContact NE2-OE1 3.04Å; H78-E82 WeakPolarHBondContact O-CG 3.33Å; H78-E82 PolarHBondContact O-N 2.93Å; Y79-E82 PolarHBondContact O-N 3.12Å; E82-P86 WeakPolarHBondContact O-CD 3.37Å
83	C	94.4	Very high	94.1	Very high	32 Å²	32	88.7 Å²	88.7	22%	0.216	46%	0.462	C	S	.	.	H	α-helix	trans	-76.6	-30.5	178.6	-64.9	0	0	0	0	113.2	L71 Y79 L81 R85 P86 L87	L71-C83 HydrophobicContact CD1-CB 3.8Å; L71-C83 HydrophobicContact CD2-CB 3.65Å; L71-C83 HydrophobicContact CG-CB 4.4Å; Y79-C83 VanDerWaalsContact CE2-SG 3.51Å; Y79-C83 WeakPolarHBondContact O-CB 3.46Å; Y79-C83 PolarHBondContact O-N 3.36Å; Y79-C83 PolarHBondContact O-SG 3.02Å; L81-C83 VanDerWaalsContact C-N 3.33Å; L81-C83 PolarHBondContact O-N 3.33Å; C83-R85 VanDerWaalsContact C-N 3.34Å; C83-R85 PolarHBondContact O-N 3.36Å; C83-P86 WeakPolarHBondContact O-CD 3.44Å; C83-L87 WeakPolarHBondContact O-CB 3.36Å; C83-L87 PolarHBondContact O-N 3.23Å
84	S	94.5	Very high	94.2	Very high	40 Å²	40	83.7 Å²	83.7	28%	0.28	43%	0.432	S	S	.	.	H	α-helix	trans	-63.7	-38.9	-176	69.1	0	0	0	0	112.6	A80 L81 L87 M88	A80-S84 WeakPolarHBondContact O-CB 3.45Å; A80-S84 PolarHBondContact O-N 2.83Å; A80-S84 PolarHBondContact O-OG 3.04Å; L81-S84 PolarHBondContact O-N 3.49Å; L81-S84 PolarHBondContact O-OG 3.02Å; S84-L87 PolarHBondContact O-N 2.68Å; S84-M88 WeakPolarHBondContact O-CB 3.32Å; S84-M88 VanDerWaalsContact O-CG 3.25Å; S84-M88 WeakPolarHBondContact O-CG 3.44Å; S84-M88 PolarHBondContact O-N 3.24Å
85	R	92.5	Very high	94.3	Very high	190 Å²	190	84.6 Å²	84.6	72%	0.717	44%	0.436	S	S	*	.	H	α-helix	trans	-67.4	-52	-174	179.2	-179	-174.1	-166	2.3	112.7	C83 L87 M88 L89	C83-R85 VanDerWaalsContact C-N 3.34Å; C83-R85 PolarHBondContact O-N 3.36Å; R85-L87 PolarHBondContact O-N 3.25Å; R85-M88 PolarHBondContact O-N 3.47Å; R85-L89 HydrophobicContact CG-CD1 4.35Å; R85-L89 WeakPolarHBondContact O-CG 3.44Å; R85-L89 PolarHBondContact O-N 3.16Å
86	P	94.6	Very high	94.3	Very high	80 Å²	80	83.9 Å²	83.9	52%	0.519	42%	0.423	S	S	.	.	H	α-helix	trans	-55.9	-40	173.5	-25.3	34	0	0	0	112.7	E82 C83 L89 R90	E82-P86 WeakPolarHBondContact O-CD 3.37Å; C83-P86 WeakPolarHBondContact O-CD 3.44Å; P86-L89 PolarHBondContact O-N 2.96Å; P86-R90 PolarHBondContact O-N 2.96Å
87	L	95.3	Very high	94.4	Very high	9 Å²	9	83.4 Å²	83.4	5%	0.047	42%	0.418	C	S	.	.	H	α-helix	trans	-66	-46.3	-179.3	-175.1	60.6	0	0	0	112.3	L64 E67 A68 L71 C83 S84 R85 L89 R90 I91	L64-L87 HydrophobicContact CB-CD1 3.89Å; L64-L87 HydrophobicContact CD2-CD1 3.67Å; L64-L87 HydrophobicContact CG-CD1 4.32Å; E67-L87 HydrophobicContact CB-CD1 4.28Å; E67-L87 HydrophobicContact CB-CD2 3.97Å; E67-L87 HydrophobicContact CG-CD1 4.35Å; E67-L87 HydrophobicContact CG-CD2 3.92Å; A68-L87 HydrophobicContact CB-CD2 3.58Å; A68-L87 HydrophobicContact CB-CG 4.41Å; A68-L87 VanDerWaalsContact N-CD2 3.28Å; L71-L87 HydrophobicContact CD1-CD2 3.85Å; C83-L87 WeakPolarHBondContact O-CB 3.36Å; C83-L87 PolarHBondContact O-N 3.23Å; S84-L87 PolarHBondContact O-N 2.68Å; R85-L87 PolarHBondContact O-N 3.25Å; L87-L89 VanDerWaalsContact C-N 3.33Å; L87-L89 PolarHBondContact O-N 3.47Å; L87-R90 PolarHBondContact O-N 2.87Å; L87-I91 HydrophobicContact CD1-CD1 4.38Å; L87-I91 HydrophobicContact CG-CD1 4.09Å; L87-I91 WeakPolarHBondContact O-CG1 3.5Å; L87-I91 PolarHBondContact O-N 2.75Å
88	M	94.1	Very high	94.4	Very high	118 Å²	118	77.8 Å²	77.8	58%	0.581	39%	0.394	S	S	*	.	H	α-helix	trans	-62	-40	176.1	-73.5	-59.9	-62.4	0	0	112	S84 R85 R90 I91 G92	S84-M88 WeakPolarHBondContact O-CB 3.32Å; S84-M88 VanDerWaalsContact O-CG 3.25Å; S84-M88 WeakPolarHBondContact O-CG 3.44Å; S84-M88 PolarHBondContact O-N 3.24Å; R85-M88 PolarHBondContact O-N 3.47Å; M88-R90 VanDerWaalsContact C-N 3.35Å; M88-I91 PolarHBondContact O-N 2.98Å; M88-G92 PolarHBondContact O-N 2.95Å
89	L	95.6	Very high	94.4	Very high	117 Å²	117	76.7 Å²	76.7	61%	0.613	39%	0.393	S	S	*	.	H	α-helix	trans	-61.8	-43.2	174.5	-71.4	172.4	0	0	0	111.5	R85 P86 L87 G92 A93	R85-L89 HydrophobicContact CG-CD1 4.35Å; R85-L89 WeakPolarHBondContact O-CG 3.44Å; R85-L89 PolarHBondContact O-N 3.16Å; P86-L89 PolarHBondContact O-N 2.96Å; L87-L89 VanDerWaalsContact C-N 3.33Å; L87-L89 PolarHBondContact O-N 3.47Å; L89-G92 PolarHBondContact O-N 3.42Å; L89-A93 WeakPolarHBondContact O-CB 3.5Å; L89-A93 PolarHBondContact O-N 2.93Å
90	R	96.1	Very high	94.6	Very high	141 Å²	141	75.9 Å²	75.9	53%	0.532	39%	0.393	S	S	.	.	H	α-helix	trans	-66.2	-41.8	178	-169.9	177	178.2	-177.5	1.1	112.4	L64 P86 L87 M88 A93 L94	L64-R90 HydrophobicContact CD1-CB 4.44Å; L64-R90 HydrophobicContact CD1-CG 3.81Å; P86-R90 PolarHBondContact O-N 2.96Å; L87-R90 PolarHBondContact O-N 2.87Å; M88-R90 VanDerWaalsContact C-N 3.35Å; R90-A93 PolarHBondContact O-N 3.48Å; R90-L94 HydrophobicContact CG-CD1 4.46Å; R90-L94 WeakPolarHBondContact O-CG 3.44Å; R90-L94 PolarHBondContact O-N 2.81Å
91	I	95.3	Very high	94.7	Very high	29 Å²	29	75.3 Å²	75.3	15%	0.149	39%	0.388	C	S	.	.	H	α-helix	trans	-62.5	-45	174.7	-69.3	169	0	0	0	110.3	L61 L64 A68 L87 M88 L94 T95	L61-I91 HydrophobicContact CD2-CG2 4.29Å; L64-I91 HydrophobicContact CB-CD1 4.1Å; L64-I91 HydrophobicContact CB-CG1 3.72Å; L64-I91 HydrophobicContact CD1-CG1 4.12Å; A68-I91 HydrophobicContact CB-CD1 4.39Å; L87-I91 HydrophobicContact CD1-CD1 4.38Å; L87-I91 HydrophobicContact CG-CD1 4.09Å; L87-I91 WeakPolarHBondContact O-CG1 3.5Å; L87-I91 PolarHBondContact O-N 2.75Å; M88-I91 PolarHBondContact O-N 2.98Å; I91-L94 PolarHBondContact O-N 2.88Å; I91-T95 WeakPolarHBondContact O-CB 3.24Å; I91-T95 PolarHBondContact O-N 3.11Å; I91-T95 PolarHBondContact O-OG1 3.21Å
92	G	95.4	Very high	94.7	Very high	38 Å²	38	72.4 Å²	72.4	39%	0.392	38%	0.377	S	S	.	.	H	α-helix	trans	-58	-50.5	176.6	0	0	0	0	0	112	M88 L89 L94 T95 E96	M88-G92 PolarHBondContact O-N 2.95Å; L89-G92 PolarHBondContact O-N 3.42Å; G92-L94 PolarHBondContact O-N 3.3Å; G92-T95 WeakPolarHBondContact O-CB 3.37Å; G92-T95 PolarHBondContact O-N 2.97Å; G92-E96 PolarHBondContact O-N 3.35Å
93	A	95.8	Very high	94.8	Very high	42 Å²	42	69.7 Å²	69.7	35%	0.347	38%	0.375	S	S	.	.	H	α-helix	trans	-61.2	-41.8	178.9	0	0	0	0	0	113	L89 R90 E96 Q97	L89-A93 WeakPolarHBondContact O-CB 3.5Å; L89-A93 PolarHBondContact O-N 2.93Å; R90-A93 PolarHBondContact O-N 3.48Å; A93-E96 PolarHBondContact O-N 2.97Å; A93-Q97 VanDerWaalsContact O-CG 3.32Å; A93-Q97 WeakPolarHBondContact O-CG 3.33Å; A93-Q97 PolarHBondContact O-N 3.39Å
94	L	95.7	Very high	94.9	Very high	10 Å²	10	72.4 Å²	72.4	5%	0.052	39%	0.386	C	S	.	.	H	α-helix	trans	-66.7	-38.3	175.8	-78.2	170.4	0	0	0	112.2	L57 Q60 L61 L64 R90 I91 G92 Q97 V98	L57-L94 HydrophobicContact CD2-CD2 3.99Å; Q60-L94 HydrophobicContact CB-CD1 3.99Å; Q60-L94 HydrophobicContact CB-CD2 4.44Å; L61-L94 HydrophobicContact CD2-CB 3.66Å; L61-L94 HydrophobicContact CD2-CD1 4.15Å; L61-L94 HydrophobicContact CG-CB 4.32Å; L64-L94 HydrophobicContact CD1-CD1 3.31Å; R90-L94 HydrophobicContact CG-CD1 4.46Å; R90-L94 WeakPolarHBondContact O-CG 3.44Å; R90-L94 PolarHBondContact O-N 2.81Å; I91-L94 PolarHBondContact O-N 2.88Å; G92-L94 PolarHBondContact O-N 3.3Å; L94-Q97 PolarHBondContact O-N 3.03Å; L94-V98 VanDerWaalsContact O-CG2 3.31Å; L94-V98 WeakPolarHBondContact O-CG2 3.38Å; L94-V98 PolarHBondContact O-N 3.49Å
95	T	92.7	Very high	94.9	Very high	56 Å²	56	71.8 Å²	71.8	34%	0.344	38%	0.378	S	S	.	.	H	α-helix	trans	-64.3	-43.3	177.5	-57.3	0	0	0	0	110.9	I91 G92 V98 N99	I91-T95 WeakPolarHBondContact O-CB 3.24Å; I91-T95 PolarHBondContact O-N 3.11Å; I91-T95 PolarHBondContact O-OG1 3.21Å; G92-T95 WeakPolarHBondContact O-CB 3.37Å; G92-T95 PolarHBondContact O-N 2.97Å; T95-V98 PolarHBondContact O-N 2.99Å; T95-N99 VanDerWaalsContact O-CG 3.25Å; T95-N99 PolarHBondContact O-N 3.42Å; T95-N99 PolarHBondContact O-ND2 3.2Å
96	E	95.3	Very high	95	Very high	122 Å²	122	68.6 Å²	68.6	57%	0.57	37%	0.373	S	S	*	.	H	α-helix	trans	-59.8	-48.5	175	-173.9	170.4	-154.1	0	0	111.4	G92 A93 V98 N99 E100	G92-E96 PolarHBondContact O-N 3.35Å; A93-E96 PolarHBondContact O-N 2.97Å; E96-V98 VanDerWaalsContact C-N 3.32Å; E96-V98 PolarHBondContact O-N 3.08Å; E96-N99 WeakPolarHBondContact O-CB 3.49Å; E96-N99 PolarHBondContact O-N 3.43Å; E96-N99 VanDerWaalsContact O-N 3.09Å; E96-E100 WeakPolarHBondContact O-CG 3.39Å; E96-E100 PolarHBondContact O-N 2.8Å
97	Q	96.2	Very high	95.1	Very high	76 Å²	76	67.1 Å²	67.1	36%	0.355	37%	0.367	S	S	.	.	H	α-helix	trans	-60.7	-39.5	176.8	-70.2	174.2	38.2	0	0	112.9	L57 A93 L94 N99 E100 L101	L57-Q97 HydrophobicContact CD1-CB 3.64Å; A93-Q97 VanDerWaalsContact O-CG 3.32Å; A93-Q97 WeakPolarHBondContact O-CG 3.33Å; A93-Q97 PolarHBondContact O-N 3.39Å; L94-Q97 PolarHBondContact O-N 3.03Å; Q97-N99 VanDerWaalsContact C-N 3.34Å; Q97-E100 PolarHBondContact O-N 3.27Å; Q97-L101 VanDerWaalsContact O-CG 3.28Å; Q97-L101 WeakPolarHBondContact O-CG 3.36Å; Q97-L101 PolarHBondContact O-N 3.28Å
98	V	93.5	Very high	95.1	Very high	30 Å²	30	67.2 Å²	67.2	18%	0.182	37%	0.368	C	S	.	.	H	α-helix	trans	-64.5	-40.9	175.5	169.7	0	0	0	0	110.8	L57 L94 T95 E96 L101 S102	L57-V98 HydrophobicContact CB-CG2 3.64Å; L57-V98 HydrophobicContact CD1-CG2 4.37Å; L94-V98 VanDerWaalsContact O-CG2 3.31Å; L94-V98 WeakPolarHBondContact O-CG2 3.38Å; L94-V98 PolarHBondContact O-N 3.49Å; T95-V98 PolarHBondContact O-N 2.99Å; E96-V98 VanDerWaalsContact C-N 3.32Å; E96-V98 PolarHBondContact O-N 3.08Å; V98-L101 PolarHBondContact O-N 3.45Å; V98-S102 WeakPolarHBondContact O-CB 3.35Å; V98-S102 PolarHBondContact O-N 3.31Å
99	N	93.1	Very high	95.2	Very high	101 Å²	101	64.4 Å²	64.4	54%	0.54	36%	0.355	S	S	.	.	H	α-helix	trans	-64.3	-44.2	177.3	-72.1	-23.2	0	0	0	111.9	T95 E96 Q97 L101 S102 A103	T95-N99 VanDerWaalsContact O-CG 3.25Å; T95-N99 PolarHBondContact O-N 3.42Å; T95-N99 PolarHBondContact O-ND2 3.2Å; E96-N99 WeakPolarHBondContact O-CB 3.49Å; E96-N99 PolarHBondContact O-N 3.43Å; E96-N99 VanDerWaalsContact O-N 3.09Å; Q97-N99 VanDerWaalsContact C-N 3.34Å; N99-L101 PolarHBondContact O-N 3.33Å; N99-S102 WeakPolarHBondContact O-CB 3.38Å; N99-S102 PolarHBondContact O-N 2.95Å; N99-A103 PolarHBondContact O-N 2.86Å
100	E	95.8	Very high	95.2	Very high	108 Å²	108	61.6 Å²	61.6	51%	0.505	35%	0.348	S	S	.	.	H	α-helix	trans	-59.5	-46.7	175.8	-71.9	176.4	171.8	0	0	111.8	E96 Q97 S102 A103 M104	E96-E100 WeakPolarHBondContact O-CG 3.39Å; E96-E100 PolarHBondContact O-N 2.8Å; Q97-E100 PolarHBondContact O-N 3.27Å; E100-S102 VanDerWaalsContact C-N 3.33Å; E100-S102 PolarHBondContact O-N 2.91Å; E100-A103 PolarHBondContact O-N 3.45Å; E100-M104 WeakPolarHBondContact O-CG 3.49Å; E100-M104 PolarHBondContact O-N 2.83Å
101	L	95.7	Very high	95.1	Very high	5 Å²	5	60 Å²	60	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-64.3	-38.7	176.5	-67.7	169.5	0	0	0	112.3	L50 R53 C54 L57 Q97 V98 N99 M104 K105	L50-L101 HydrophobicContact CD2-CD2 3.82Å; R53-L101 HydrophobicContact CB-CD1 4.16Å; R53-L101 HydrophobicContact CG-CD1 3.7Å; R53-L101 HydrophobicContact CG-CD2 4.22Å; C54-L101 WeakPolarHBondContact SG-CB 3.24Å; L57-L101 HydrophobicContact CD1-CD1 3.46Å; L57-L101 VanDerWaalsContact CD1-CD1 3.46Å; L57-L101 HydrophobicContact CG-CD1 4.36Å; Q97-L101 VanDerWaalsContact O-CG 3.28Å; Q97-L101 WeakPolarHBondContact O-CG 3.36Å; Q97-L101 PolarHBondContact O-N 3.28Å; V98-L101 PolarHBondContact O-N 3.45Å; N99-L101 PolarHBondContact O-N 3.33Å; L101-M104 HydrophobicContact CD2-CE 3.72Å; L101-M104 HydrophobicContact CG-CE 4.33Å; L101-M104 PolarHBondContact O-N 3.26Å; L101-K105 WeakPolarHBondContact O-CG 3.46Å; L101-K105 PolarHBondContact O-N 2.97Å
102	S	93.2	Very high	95	Very high	57 Å²	57	59.7 Å²	59.7	40%	0.399	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-42.8	175.2	-169.2	0	0	0	0	111.6	V98 N99 E100 M104 K105 M106	V98-S102 WeakPolarHBondContact O-CB 3.35Å; V98-S102 PolarHBondContact O-N 3.31Å; N99-S102 WeakPolarHBondContact O-CB 3.38Å; N99-S102 PolarHBondContact O-N 2.95Å; E100-S102 VanDerWaalsContact C-N 3.33Å; E100-S102 PolarHBondContact O-N 2.91Å; S102-M104 VanDerWaalsContact C-N 3.35Å; S102-M104 PolarHBondContact O-N 3.09Å; S102-K105 WeakPolarHBondContact O-CB 3.28Å; S102-K105 PolarHBondContact O-N 3.35Å; S102-M106 WeakPolarHBondContact O-CG 3.38Å; S102-M106 PolarHBondContact O-N 3.43Å
103	A	95.6	Very high	94.9	Very high	62 Å²	62	62.4 Å²	62.4	51%	0.512	35%	0.349	S	S	.	.	H	α-helix	trans	-61.4	-43.1	174.7	0	0	0	0	0	111.7	N99 E100 K105 M106 A107	N99-A103 PolarHBondContact O-N 2.86Å; E100-A103 PolarHBondContact O-N 3.45Å; A103-K105 PolarHBondContact O-N 3.3Å; A103-M106 PolarHBondContact O-N 2.91Å; A103-A107 PolarHBondContact O-N 3.28Å
104	M	96.5	Very high	94.8	Very high	89 Å²	89	64.7 Å²	64.7	44%	0.438	35%	0.353	S	S	.	.	H	α-helix	trans	-62.8	-39.3	175	-72.7	-172.1	-81.9	0	0	112.3	L50 E100 L101 S102 M106 A107 I108	L50-M104 HydrophobicContact CD1-CB 3.62Å; E100-M104 WeakPolarHBondContact O-CG 3.49Å; E100-M104 PolarHBondContact O-N 2.83Å; L101-M104 HydrophobicContact CD2-CE 3.72Å; L101-M104 HydrophobicContact CG-CE 4.33Å; L101-M104 PolarHBondContact O-N 3.26Å; S102-M104 VanDerWaalsContact C-N 3.35Å; S102-M104 PolarHBondContact O-N 3.09Å; M104-M106 VanDerWaalsContact C-N 3.34Å; M104-M106 PolarHBondContact O-N 3.41Å; M104-A107 WeakPolarHBondContact O-CB 3.3Å; M104-A107 PolarHBondContact O-N 2.97Å; M104-I108 WeakPolarHBondContact O-CG1 3.37Å; M104-I108 PolarHBondContact O-N 3.15Å
105	K	95.4	Very high	94.6	Very high	28 Å²	28	65 Å²	65	12%	0.122	36%	0.357	C	S	.	.	H	α-helix	trans	-58.7	-45.3	173.3	-75.3	173.4	60.3	-177.6	0	111.8	Y47 L50 D51 L101 S102 A103 A107 I108 L109	Y47-K105 HydrophobicContact CD2-CB 4.09Å; Y47-K105 HydrophobicContact CD2-CG 4.28Å; Y47-K105 HydrophobicContact CE2-CB 3.8Å; Y47-K105 HydrophobicContact CE2-CG 4.14Å; Y47-K105 VanDerWaalsContact CZ-CE 3.47Å; Y47-K105 WeakPolarHBondContact OH-CE 3.34Å; L50-K105 HydrophobicContact CB-CD 4.3Å; L50-K105 HydrophobicContact CB-CG 3.59Å; L50-K105 HydrophobicContact CD1-CG 4.04Å; D51-K105 WeakPolarHBondContact OD1-CE 3.34Å; D51-K105 IonicContact OD1-NZ 2.64Å; D51-K105 PolarHBondContact OD1-NZ 3.38Å; L101-K105 WeakPolarHBondContact O-CG 3.46Å; L101-K105 PolarHBondContact O-N 2.97Å; S102-K105 WeakPolarHBondContact O-CB 3.28Å; S102-K105 PolarHBondContact O-N 3.35Å; A103-K105 PolarHBondContact O-N 3.3Å; K105-A107 VanDerWaalsContact C-N 3.31Å; K105-A107 PolarHBondContact O-N 2.86Å; K105-I108 PolarHBondContact O-N 3.31Å; K105-L109 WeakPolarHBondContact O-CG 3.22Å; K105-L109 PolarHBondContact O-N 2.82Å
106	M	95	Very high	94.5	Very high	122 Å²	122	64.6 Å²	64.6	60%	0.601	35%	0.352	S	S	*	.	H	α-helix	trans	-64	-37.4	177.4	-66.4	-56.7	-68.7	0	0	111.9	S102 A103 M104 I108 L109 A110	S102-M106 WeakPolarHBondContact O-CG 3.38Å; S102-M106 PolarHBondContact O-N 3.43Å; A103-M106 PolarHBondContact O-N 2.91Å; M104-M106 VanDerWaalsContact C-N 3.34Å; M104-M106 PolarHBondContact O-N 3.41Å; M106-I108 PolarHBondContact O-N 3.16Å; M106-L109 PolarHBondContact O-N 3.17Å; M106-L109 HydrophobicContact SD-CD1 4.07Å; M106-A110 PolarHBondContact O-N 3.35Å
107	A	96.5	Very high	94.4	Very high	49 Å²	49	63.5 Å²	63.5	41%	0.405	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-39	174.5	0	0	0	0	0	112.4	A103 M104 K105 A110 K111	A103-A107 PolarHBondContact O-N 3.28Å; M104-A107 WeakPolarHBondContact O-CB 3.3Å; M104-A107 PolarHBondContact O-N 2.97Å; K105-A107 VanDerWaalsContact C-N 3.31Å; K105-A107 PolarHBondContact O-N 2.86Å; A107-A110 WeakPolarHBondContact O-CB 3.47Å; A107-A110 PolarHBondContact O-N 2.95Å; A107-K111 WeakPolarHBondContact O-CG 3.28Å; A107-K111 PolarHBondContact O-N 3.39Å
108	I	95.7	Very high	94.1	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.062	35%	0.353	C	S	.	.	H	α-helix	trans	-66.4	-43.2	174.8	-65.5	178.7	0	0	0	111.2	Y43 E46 L50 M104 K105 M106 A110 K111 I112	Y43-I108 HydrophobicContact CG-CG2 4.48Å; Y43-I108 VanDerWaalsContact O-CG2 3.32Å; Y43-I108 WeakPolarHBondContact O-CG2 3.42Å; E46-I108 HydrophobicContact CB-CD1 3.63Å; L50-I108 HydrophobicContact CD1-CD1 3.44Å; L50-I108 VanDerWaalsContact CD1-CD1 3.44Å; L50-I108 HydrophobicContact CD1-CG1 4.39Å; L50-I108 HydrophobicContact CG-CD1 4.29Å; M104-I108 WeakPolarHBondContact O-CG1 3.37Å; M104-I108 PolarHBondContact O-N 3.15Å; K105-I108 PolarHBondContact O-N 3.31Å; M106-I108 PolarHBondContact O-N 3.16Å; I108-A110 VanDerWaalsContact C-N 3.26Å; I108-A110 PolarHBondContact O-N 2.82Å; I108-K111 WeakPolarHBondContact O-CB 3.26Å; I108-K111 PolarHBondContact O-N 2.91Å; I108-K111 VanDerWaalsContact O-N 3.12Å; I108-I112 HydrophobicContact CG2-CD1 4.14Å; I108-I112 WeakPolarHBondContact O-CG1 3.36Å; I108-I112 PolarHBondContact O-N 3.47Å
109	L	94.6	Very high	93.9	Very high	59 Å²	59	63.5 Å²	63.5	31%	0.309	35%	0.347	S	S	.	.	H	α-helix	trans	-60.1	-38.9	175.3	-69.8	176.3	0	0	0	111.8	Y47 K105 M106 I112 N113	Y47-L109 HydrophobicContact CD2-CD1 4.47Å; Y47-L109 HydrophobicContact CD2-CD2 3.95Å; Y47-L109 HydrophobicContact CD2-CG 3.9Å; Y47-L109 HydrophobicContact CE2-CD1 3.75Å; Y47-L109 HydrophobicContact CE2-CD2 3.88Å; Y47-L109 HydrophobicContact CE2-CG 3.69Å; K105-L109 WeakPolarHBondContact O-CG 3.22Å; K105-L109 PolarHBondContact O-N 2.82Å; M106-L109 PolarHBondContact O-N 3.17Å; M106-L109 HydrophobicContact SD-CD1 4.07Å; L109-I112 HydrophobicContact CD2-CD1 4.43Å; L109-I112 PolarHBondContact O-N 3.25Å; L109-N113 PolarHBondContact O-N 3.16Å; L109-N113 PolarHBondContact O-ND2 3.33Å
110	A	96	Very high	93.7	Very high	57 Å²	57	66.3 Å²	66.3	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-43.4	173.8	0	0	0	0	0	111.9	M106 A107 I108 I112 N113 Q114	M106-A110 PolarHBondContact O-N 3.35Å; A107-A110 WeakPolarHBondContact O-CB 3.47Å; A107-A110 PolarHBondContact O-N 2.95Å; I108-A110 VanDerWaalsContact C-N 3.26Å; I108-A110 PolarHBondContact O-N 2.82Å; A110-I112 PolarHBondContact O-N 3.49Å; A110-N113 PolarHBondContact O-N 2.98Å; A110-Q114 WeakPolarHBondContact O-CB 3.46Å; A110-Q114 PolarHBondContact O-N 3.31Å
111	K	94.9	Very high	93.4	Very high	108 Å²	108	63.8 Å²	63.8	47%	0.47	35%	0.348	S	S	.	.	H	α-helix	trans	-61.1	-41.8	174.6	-72.1	175.6	177.9	-178	0	112.7	Y43 A107 I108 Q114 A115	Y43-K111 HydrophobicContact CD2-CB 4.32Å; Y43-K111 HydrophobicContact CE1-CB 4.31Å; Y43-K111 HydrophobicContact CE1-CD 3.98Å; Y43-K111 HydrophobicContact CE2-CB 3.94Å; A107-K111 WeakPolarHBondContact O-CG 3.28Å; A107-K111 PolarHBondContact O-N 3.39Å; I108-K111 WeakPolarHBondContact O-CB 3.26Å; I108-K111 PolarHBondContact O-N 2.91Å; I108-K111 VanDerWaalsContact O-N 3.12Å; K111-Q114 PolarHBondContact O-N 3.29Å; K111-A115 WeakPolarHBondContact O-CB 3.4Å; K111-A115 PolarHBondContact O-N 2.97Å
112	I	91.9	Very high	93.1	Very high	23 Å²	23	68.4 Å²	68.4	12%	0.118	37%	0.368	C	S	.	.	H	α-helix	trans	-60	-49.7	175.1	-69.8	168.7	0	0	0	110.3	I40 Y43 I108 L109 A110 Q114 A115 I116	I40-I112 HydrophobicContact CG1-CG2 4.38Å; I40-I112 HydrophobicContact CG2-CG2 4.41Å; Y43-I112 HydrophobicContact CD2-CG1 3.86Å; Y43-I112 HydrophobicContact CG-CG1 4Å; I108-I112 HydrophobicContact CG2-CD1 4.14Å; I108-I112 WeakPolarHBondContact O-CG1 3.36Å; I108-I112 PolarHBondContact O-N 3.47Å; L109-I112 HydrophobicContact CD2-CD1 4.43Å; L109-I112 PolarHBondContact O-N 3.25Å; A110-I112 PolarHBondContact O-N 3.49Å; I112-Q114 VanDerWaalsContact C-N 3.31Å; I112-Q114 PolarHBondContact O-N 2.53Å; I112-A115 PolarHBondContact O-N 3.25Å; I112-I116 HydrophobicContact CG2-CD1 3.94Å; I112-I116 WeakPolarHBondContact O-CG1 3.46Å; I112-I116 PolarHBondContact O-N 3.28Å; I112-I116 VanDerWaalsContact O-N 3.08Å
113	N	93.9	Very high	92.8	Very high	95 Å²	95	66.9 Å²	66.9	51%	0.508	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-42	179.6	-74.4	-23.7	0	0	0	111.7	L109 A110 I116 I117	L109-N113 PolarHBondContact O-N 3.16Å; L109-N113 PolarHBondContact O-ND2 3.33Å; A110-N113 PolarHBondContact O-N 2.98Å; N113-I116 PolarHBondContact O-N 3.02Å; N113-I117 VanDerWaalsContact O-CG1 3.28Å; N113-I117 WeakPolarHBondContact O-CG1 2.86Å; N113-I117 PolarHBondContact O-N 3.08Å
114	Q	94.4	Very high	92.3	Very high	90 Å²	90	72.6 Å²	72.6	42%	0.421	36%	0.364	S	S	.	.	H	α-helix	trans	-61.7	-46.1	177.3	-174.1	59.8	28.8	0	0	111.6	A110 K111 I112 I116 I117 E118	A110-Q114 WeakPolarHBondContact O-CB 3.46Å; A110-Q114 PolarHBondContact O-N 3.31Å; K111-Q114 PolarHBondContact O-N 3.29Å; I112-Q114 VanDerWaalsContact C-N 3.31Å; I112-Q114 PolarHBondContact O-N 2.53Å; Q114-I116 VanDerWaalsContact C-N 3.3Å; Q114-I116 PolarHBondContact O-N 3.21Å; Q114-I117 PolarHBondContact O-N 3.07Å; Q114-I117 VanDerWaalsContact O-N 3.15Å; Q114-E118 HydrophobicContact CG-CG 4.48Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.44Å; Q114-E118 PolarHBondContact NE2-OE1 3.2Å; Q114-E118 WeakPolarHBondContact O-CG 3.45Å; Q114-E118 PolarHBondContact O-N 3.45Å
115	A	91.2	Very high	91.8	Very high	16 Å²	16	74.5 Å²	74.5	13%	0.132	37%	0.372	C	S	.	.	H	α-helix	trans	-60	-39.1	177	0	0	0	0	0	112.5	T39 K111 I112 N119	T39-A115 HydrophobicContact CG2-CB 4.3Å; K111-A115 WeakPolarHBondContact O-CB 3.4Å; K111-A115 PolarHBondContact O-N 2.97Å; I112-A115 PolarHBondContact O-N 3.25Å; A115-N119 WeakPolarHBondContact O-CB 3.37Å; A115-N119 PolarHBondContact O-N 2.94Å; A115-N119 VanDerWaalsContact O-N 3.09Å
116	I	90.5	Very high	91.3	Very high	48 Å²	48	74.9 Å²	74.9	25%	0.246	38%	0.375	C	S	.	.	H	α-helix	trans	-65.3	-44	175.1	-66.9	166.1	0	0	0	111	I40 I112 N113 Q114 R120	I40-I116 HydrophobicContact CD1-CD1 3.98Å; I40-I116 HydrophobicContact CD1-CG1 3.56Å; I40-I116 HydrophobicContact CG1-CG1 4.43Å; I112-I116 HydrophobicContact CG2-CD1 3.94Å; I112-I116 WeakPolarHBondContact O-CG1 3.46Å; I112-I116 PolarHBondContact O-N 3.28Å; I112-I116 VanDerWaalsContact O-N 3.08Å; N113-I116 PolarHBondContact O-N 3.02Å; Q114-I116 VanDerWaalsContact C-N 3.3Å; Q114-I116 PolarHBondContact O-N 3.21Å; I116-R120 WeakPolarHBondContact O-CB 3.33Å; I116-R120 VanDerWaalsContact O-CG 3.3Å; I116-R120 WeakPolarHBondContact O-CG 3.45Å; I116-R120 PolarHBondContact O-N 3Å
117	I	92.1	Very high	90.5	Very high	99 Å²	99	72.7 Å²	72.7	51%	0.508	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	-48.3	-179.8	-70.5	165.6	0	0	0	110.7	N113 Q114 N119 R120 A121	N113-I117 VanDerWaalsContact O-CG1 3.28Å; N113-I117 WeakPolarHBondContact O-CG1 2.86Å; N113-I117 PolarHBondContact O-N 3.08Å; Q114-I117 PolarHBondContact O-N 3.07Å; Q114-I117 VanDerWaalsContact O-N 3.15Å; I117-N119 VanDerWaalsContact C-N 3.31Å; I117-N119 PolarHBondContact O-N 3.38Å; I117-R120 PolarHBondContact O-N 3.48Å; I117-A121 PolarHBondContact O-N 3.46Å
118	E	90.9	Very high	89.8	Confident	93 Å²	93	73.6 Å²	73.6	44%	0.435	37%	0.371	S	S	.	.	H	α-helix	trans	-61.2	-41	179.3	-73.5	174.8	-171.2	0	0	111.9	Q114 A121 K122	Q114-E118 HydrophobicContact CG-CG 4.48Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.44Å; Q114-E118 PolarHBondContact NE2-OE1 3.2Å; Q114-E118 WeakPolarHBondContact O-CG 3.45Å; Q114-E118 PolarHBondContact O-N 3.45Å; E118-A121 WeakPolarHBondContact O-CB 3.48Å; E118-A121 PolarHBondContact O-N 3.21Å; E118-K122 WeakPolarHBondContact O-CG 3.33Å; E118-K122 PolarHBondContact O-N 3.42Å
119	N	89.3	Confident	89	Confident	13 Å²	13	75.1 Å²	75.1	7%	0.07	38%	0.381	C	S	.	.	H	α-helix	trans	-68.1	-41.3	176.5	178.1	-93.1	0	0	0	112.9	L32 M33 V36 A115 I117 A121 K122 V123	L32-N119 PolarHBondContact O-ND2 3.27Å; M33-N119 PolarHBondContact SD-OD1 3.29Å; M33-N119 VanDerWaalsContact SD-OD1 3.39Å; V36-N119 HydrophobicContact CB-CB 4.44Å; V36-N119 HydrophobicContact CG1-CB 4.44Å; V36-N119 HydrophobicContact CG2-CB 3.41Å; V36-N119 VanDerWaalsContact CG2-CB 3.41Å; V36-N119 VanDerWaalsContact CG2-CG 3.43Å; V36-N119 WeakPolarHBondContact CG2-ND2 3.27Å; A115-N119 WeakPolarHBondContact O-CB 3.37Å; A115-N119 PolarHBondContact O-N 2.94Å; A115-N119 VanDerWaalsContact O-N 3.09Å; I117-N119 VanDerWaalsContact C-N 3.31Å; I117-N119 PolarHBondContact O-N 3.38Å; N119-A121 PolarHBondContact O-N 3.21Å; N119-K122 PolarHBondContact O-N 3.47Å; N119-V123 WeakPolarHBondContact O-CB 3.22Å; N119-V123 WeakPolarHBondContact O-CG2 3.47Å; N119-V123 PolarHBondContact O-N 2.95Å
120	R	88.8	Confident	88.2	Confident	160 Å²	160	73.8 Å²	73.8	60%	0.604	38%	0.377	S	S	*	.	H	α-helix	trans	-57.8	-38.3	172.7	-76.9	174.3	175.1	-178.7	-0.1	111.5	I116 I117 R124	I116-R120 WeakPolarHBondContact O-CB 3.33Å; I116-R120 VanDerWaalsContact O-CG 3.3Å; I116-R120 WeakPolarHBondContact O-CG 3.45Å; I116-R120 PolarHBondContact O-N 3Å; I117-R120 PolarHBondContact O-N 3.48Å; R120-R124 WeakPolarHBondContact O-CB 3.47Å; R120-R124 VanDerWaalsContact O-CG 3.22Å; R120-R124 WeakPolarHBondContact O-CG 3.47Å; R120-R124 PolarHBondContact O-N 2.96Å; R120-R124 VanDerWaalsContact O-N 3.08Å
121	A	89.6	Confident	87.1	Confident	54 Å²	54	78.9 Å²	78.9	45%	0.446	38%	0.384	S	S	.	.	H	α-helix	trans	-64.7	-48.7	175.2	0	0	0	0	0	111.5	I117 E118 N119 V123 R124 E125	I117-A121 PolarHBondContact O-N 3.46Å; E118-A121 WeakPolarHBondContact O-CB 3.48Å; E118-A121 PolarHBondContact O-N 3.21Å; N119-A121 PolarHBondContact O-N 3.21Å; A121-V123 PolarHBondContact O-N 2.97Å; A121-R124 WeakPolarHBondContact O-CB 3.24Å; A121-R124 PolarHBondContact O-N 2.86Å; A121-E125 PolarHBondContact O-N 3.26Å
122	K	89.7	Confident	86.1	Confident	102 Å²	102	80 Å²	80	44%	0.443	39%	0.385	S	S	.	.	H	α-helix	trans	-61.2	-43.4	177.6	-69.9	176.4	-176.7	179.4	0	112.9	L32 E118 N119 R124 E125 L126	L32-K122 HydrophobicContact CD1-CB 4.24Å; L32-K122 HydrophobicContact CD2-CD 4.03Å; E118-K122 WeakPolarHBondContact O-CG 3.33Å; E118-K122 PolarHBondContact O-N 3.42Å; N119-K122 PolarHBondContact O-N 3.47Å; K122-R124 VanDerWaalsContact C-N 3.33Å; K122-R124 PolarHBondContact O-N 3.35Å; K122-E125 WeakPolarHBondContact O-CB 3.33Å; K122-E125 PolarHBondContact O-N 3.19Å; K122-L126 WeakPolarHBondContact O-CG 3.2Å; K122-L126 PolarHBondContact O-N 3.43Å
123	V	85.7	Confident	85.3	Confident	25 Å²	25	79.7 Å²	79.7	15%	0.152	39%	0.385	C	S	.	.	H	α-helix	trans	-60.7	-43.9	175.6	166.2	0	0	0	0	110.9	Y29 M33 N119 A121 E125 L126 C127	Y29-V123 HydrophobicContact CD2-CG1 4Å; Y29-V123 HydrophobicContact CD2-CG2 3.93Å; Y29-V123 HydrophobicContact CE2-CB 4.33Å; Y29-V123 HydrophobicContact CE2-CG1 3.6Å; Y29-V123 HydrophobicContact CE2-CG2 3.74Å; M33-V123 HydrophobicContact SD-CG2 4.24Å; N119-V123 WeakPolarHBondContact O-CB 3.22Å; N119-V123 WeakPolarHBondContact O-CG2 3.47Å; N119-V123 PolarHBondContact O-N 2.95Å; A121-V123 PolarHBondContact O-N 2.97Å; V123-E125 VanDerWaalsContact C-N 3.34Å; V123-E125 PolarHBondContact O-N 3.02Å; V123-L126 PolarHBondContact O-N 3.42Å; V123-C127 PolarHBondContact O-N 3.29Å; V123-C127 PolarHBondContact O-SG 3.22Å
124	R	86	Confident	84.2	Confident	183 Å²	183	78.8 Å²	78.8	69%	0.691	38%	0.38	S	S	*	.	H	α-helix	trans	-62	-43	176.7	-75.9	173	-176.9	-158	0.5	111.8	R120 A121 K122 C127 V128	R120-R124 WeakPolarHBondContact O-CB 3.47Å; R120-R124 VanDerWaalsContact O-CG 3.22Å; R120-R124 WeakPolarHBondContact O-CG 3.47Å; R120-R124 PolarHBondContact O-N 2.96Å; R120-R124 VanDerWaalsContact O-N 3.08Å; A121-R124 WeakPolarHBondContact O-CB 3.24Å; A121-R124 PolarHBondContact O-N 2.86Å; K122-R124 VanDerWaalsContact C-N 3.33Å; K122-R124 PolarHBondContact O-N 3.35Å; R124-C127 PolarHBondContact O-N 2.91Å; R124-V128 WeakPolarHBondContact O-CG2 3.41Å; R124-V128 PolarHBondContact O-N 3.11Å
125	E	86.8	Confident	83	Confident	129 Å²	129	78.3 Å²	78.3	60%	0.603	38%	0.38	S	S	*	.	H	α-helix	trans	-58.8	-50.6	176.1	-173.7	175	-169.4	0	0	110.8	A121 K122 V123 C127 V128 T129	A121-E125 PolarHBondContact O-N 3.26Å; K122-E125 WeakPolarHBondContact O-CB 3.33Å; K122-E125 PolarHBondContact O-N 3.19Å; V123-E125 VanDerWaalsContact C-N 3.34Å; V123-E125 PolarHBondContact O-N 3.02Å; E125-C127 VanDerWaalsContact C-N 3.34Å; E125-C127 PolarHBondContact O-N 2.89Å; E125-V128 PolarHBondContact O-N 3.14Å; E125-V128 VanDerWaalsContact O-N 3.14Å; E125-T129 PolarHBondContact O-N 3.35Å; E125-T129 PolarHBondContact O-OG1 3.12Å
126	L	83.2	Confident	81.6	Confident	35 Å²	35	82.8 Å²	82.8	18%	0.183	40%	0.401	C	S	.	.	H	α-helix	trans	-57.5	-43.7	175.7	-71.6	-177	0	0	0	113.1	E28 L32 K122 V123 V128 T129 S130	E28-L126 HydrophobicContact CB-CD1 4.37Å; E28-L126 HydrophobicContact CG-CD1 3.9Å; E28-L126 HydrophobicContact CG-CD2 4.43Å; E28-L126 VanDerWaalsContact OE2-CD2 3.27Å; E28-L126 WeakPolarHBondContact OE2-CD2 3.5Å; L32-L126 HydrophobicContact CD1-CD1 3.27Å; L32-L126 HydrophobicContact CD1-CG 4.27Å; K122-L126 WeakPolarHBondContact O-CG 3.2Å; K122-L126 PolarHBondContact O-N 3.43Å; V123-L126 PolarHBondContact O-N 3.42Å; L126-V128 PolarHBondContact O-N 2.96Å; L126-T129 PolarHBondContact O-N 2.92Å; L126-S130 VanDerWaalsContact O-CB 3.24Å; L126-S130 WeakPolarHBondContact O-CB 3.46Å; L126-S130 PolarHBondContact O-N 3.4Å
127	C	78.8	Confident	80.5	Confident	76 Å²	76	87 Å²	87	51%	0.514	42%	0.418	S	S	.	.	H	α-helix	trans	-62.5	-41.9	177.2	-68.1	0	0	0	0	112.1	V123 R124 E125 W131	V123-C127 PolarHBondContact O-N 3.29Å; V123-C127 PolarHBondContact O-SG 3.22Å; R124-C127 PolarHBondContact O-N 2.91Å; E125-C127 VanDerWaalsContact C-N 3.34Å; E125-C127 PolarHBondContact O-N 2.89Å; C127-W131 WeakPolarHBondContact O-CB 3.17Å; C127-W131 PolarHBondContact O-N 2.06Å
128	V	81.2	Confident	78.7	Confident	69 Å²	69	89.2 Å²	89.2	42%	0.418	43%	0.426	S	S	.	.	H	α-helix	trans	-67	-44.3	178.6	170.7	0	0	0	0	110.7	R124 E125 L126 W131 R132	R124-V128 WeakPolarHBondContact O-CG2 3.41Å; R124-V128 PolarHBondContact O-N 3.11Å; E125-V128 PolarHBondContact O-N 3.14Å; E125-V128 VanDerWaalsContact O-N 3.14Å; L126-V128 PolarHBondContact O-N 2.96Å; V128-W131 PolarHBondContact O-N 3.43Å; V128-R132 WeakPolarHBondContact O-CB 3.45Å; V128-R132 WeakPolarHBondContact O-CG 3.13Å; V128-R132 PolarHBondContact O-N 3.29Å
129	T	79.4	Confident	76.8	Confident	44 Å²	44	93.4 Å²	93.4	27%	0.27	46%	0.461	S	S	.	.	H	α-helix	trans	-65.2	-46.9	179.3	-54.4	0	0	0	0	111.2	E125 L126 W131 R132 C133	E125-T129 PolarHBondContact O-N 3.35Å; E125-T129 PolarHBondContact O-OG1 3.12Å; L126-T129 PolarHBondContact O-N 2.92Å; T129-W131 VanDerWaalsContact C-N 3.35Å; T129-W131 PolarHBondContact O-N 3.07Å; T129-R132 PolarHBondContact O-N 2.92Å; T129-C133 PolarHBondContact O-N 3.35Å; T129-C133 PolarHBondContact O-SG 3.17Å
130	S	78	Confident	76.2	Confident	30 Å²	30	97.5 Å²	97.5	21%	0.21	48%	0.481	C	S	.	.	H	α-helix	trans	-60.2	-43.3	175.6	178.9	0	0	0	0	111.8	L126 C133 N134	L126-S130 VanDerWaalsContact O-CB 3.24Å; L126-S130 WeakPolarHBondContact O-CB 3.46Å; L126-S130 PolarHBondContact O-N 3.4Å; S130-C133 PolarHBondContact O-N 3.15Å; S130-N134 WeakPolarHBondContact O-CB 3.31Å; S130-N134 PolarHBondContact O-N 2.83Å; S130-N134 PolarHBondContact O-ND2 3.5Å
131	W	73.5	Confident	75.5	Confident	164 Å²	164	94.2 Å²	94.2	62%	0.621	47%	0.474	S	S	*	.	H	α-helix	trans	-63	-44.8	176.4	-178.9	79.2	0	0	0	112.5	C127 V128 T129 N134 I135	C127-W131 WeakPolarHBondContact O-CB 3.17Å; C127-W131 PolarHBondContact O-N 2.06Å; V128-W131 PolarHBondContact O-N 3.43Å; T129-W131 VanDerWaalsContact C-N 3.35Å; T129-W131 PolarHBondContact O-N 3.07Å; W131-N134 PolarHBondContact O-N 3.07Å; W131-I135 HydrophobicContact CD2-CD1 3.79Å; W131-I135 HydrophobicContact CE3-CD1 4.08Å; W131-I135 HydrophobicContact CH2-CD1 3.48Å; W131-I135 VanDerWaalsContact CH2-CD1 3.48Å; W131-I135 HydrophobicContact CZ2-CD1 3.14Å; W131-I135 HydrophobicContact CZ2-CG1 4.5Å; W131-I135 HydrophobicContact CZ3-CD1 3.93Å; W131-I135 PolarHBondContact O-N 3.16Å
132	R	74.2	Confident	74.7	Confident	131 Å²	131	96.4 Å²	96.4	49%	0.494	48%	0.476	S	S	.	.	H	α-helix	trans	-60.8	-45.7	175.5	-76.3	178	179.4	-176.7	-1.9	111.7	V128 T129 N134 I135 N136	V128-R132 WeakPolarHBondContact O-CB 3.45Å; V128-R132 WeakPolarHBondContact O-CG 3.13Å; V128-R132 PolarHBondContact O-N 3.29Å; T129-R132 PolarHBondContact O-N 2.92Å; R132-N134 VanDerWaalsContact C-N 3.32Å; R132-N134 PolarHBondContact O-N 3.13Å; R132-I135 PolarHBondContact O-N 3.46Å; R132-N136 VanDerWaalsContact O-CG 3.24Å; R132-N136 PolarHBondContact O-N 3.45Å; R132-N136 VanDerWaalsContact O-N 3.08Å; R132-N136 PolarHBondContact O-ND2 3.29Å
133	C	73.6	Confident	73.9	Confident	18 Å²	18	96.1 Å²	96.1	12%	0.122	48%	0.478	C	S	.	.	H	α-helix	trans	-66.3	-34.2	178.4	-66.1	0	0	0	0	112.2	C6 T129 S130 N136 K137	C6-C133 HydrophobicContact CB-CB 4.18Å; C6-C133 WeakPolarHBondContact CB-SG 3.33Å; C6-C133 WeakPolarHBondContact SG-CA 3.47Å; C6-C133 WeakPolarHBondContact SG-CB 3.42Å; C6-C133 CovalentContact SG-SG 2.06Å; C6-C133 PolarHBondContact SG-SG 3.43Å; T129-C133 PolarHBondContact O-N 3.35Å; T129-C133 PolarHBondContact O-SG 3.17Å; S130-C133 PolarHBondContact O-N 3.15Å; C133-N136 PolarHBondContact O-N 3.32Å; C133-K137 VanDerWaalsContact O-CG 3.31Å; C133-K137 WeakPolarHBondContact O-CG 3.41Å; C133-K137 PolarHBondContact O-N 3.08Å
134	N	72	Confident	73.1	Confident	76 Å²	76	100.5 Å²	100.5	41%	0.406	50%	0.498	S	S	.	.	H	α-helix	trans	-67.7	-41.7	176	-85.4	-37.7	0	0	0	113.2	S130 W131 R132 N136 K137 H138	S130-N134 WeakPolarHBondContact O-CB 3.31Å; S130-N134 PolarHBondContact O-N 2.83Å; S130-N134 PolarHBondContact O-ND2 3.5Å; W131-N134 PolarHBondContact O-N 3.07Å; R132-N134 VanDerWaalsContact C-N 3.32Å; R132-N134 PolarHBondContact O-N 3.13Å; N134-N136 VanDerWaalsContact C-N 3.34Å; N134-K137 PolarHBondContact O-N 3.34Å; N134-H138 PolarHBondContact O-N 3.44Å
135	I	68.9	Low	72.3	Confident	79 Å²	79	95 Å²	95	41%	0.405	49%	0.485	S	S	.	.	H	α-helix	trans	-64.6	-41	174.9	-70.1	177.5	0	0	0	110.9	W131 R132 K137 H138	W131-I135 HydrophobicContact CD2-CD1 3.79Å; W131-I135 HydrophobicContact CE3-CD1 4.08Å; W131-I135 HydrophobicContact CH2-CD1 3.48Å; W131-I135 VanDerWaalsContact CH2-CD1 3.48Å; W131-I135 HydrophobicContact CZ2-CD1 3.14Å; W131-I135 HydrophobicContact CZ2-CG1 4.5Å; W131-I135 HydrophobicContact CZ3-CD1 3.93Å; W131-I135 PolarHBondContact O-N 3.16Å; R132-I135 PolarHBondContact O-N 3.46Å; I135-K137 VanDerWaalsContact C-N 3.26Å; I135-K137 PolarHBondContact O-N 3.32Å; I135-H138 CarbonylContact O-C 3.2Å; I135-H138 PolarHBondContact O-N 3.16Å; I135-H138 VanDerWaalsContact O-N 3.16Å
136	N	62.4	Low	71.2	Confident	110 Å²	110	92.6 Å²	92.6	59%	0.588	48%	0.477	S	S	*	.	H	α-helix	trans	-67.5	-26.7	179.1	-68.4	-18.6	0	0	0	112.9	R132 C133 N134	R132-N136 VanDerWaalsContact O-CG 3.24Å; R132-N136 PolarHBondContact O-N 3.45Å; R132-N136 VanDerWaalsContact O-N 3.08Å; R132-N136 PolarHBondContact O-ND2 3.29Å; C133-N136 PolarHBondContact O-N 3.32Å; N134-N136 VanDerWaalsContact C-N 3.34Å
137	K	66.2	Low	70.3	Confident	137 Å²	137	97 Å²	97	60%	0.596	50%	0.5	S	S	*	.	H	α-helix	trans	-79.8	-21.1	173.9	-73.6	176.1	-176.9	177.7	0	113.2	C133 N134 I135	C133-K137 VanDerWaalsContact O-CG 3.31Å; C133-K137 WeakPolarHBondContact O-CG 3.41Å; C133-K137 PolarHBondContact O-N 3.08Å; N134-K137 PolarHBondContact O-N 3.34Å; I135-K137 VanDerWaalsContact C-N 3.26Å; I135-K137 PolarHBondContact O-N 3.32Å
138	H	54	Low	69.6	Low	146 Å²	146	98.8 Å²	98.8	68%	0.676	50%	0.498	S	S	*	.			trans	-134.5	73.5	-177.8	-62.3	-60.7	0	0	0	111.6	N134 I135	N134-H138 PolarHBondContact O-N 3.44Å; I135-H138 CarbonylContact O-C 3.2Å; I135-H138 PolarHBondContact O-N 3.16Å; I135-H138 VanDerWaalsContact O-N 3.16Å
139	P	51.8	Low	68.5	Low	181 Å²	181	101.5 Å²	101.5	100%	1.175	51%	0.506	S	S	*	.			trans	-66.8	0	171.7	28.3	-33.1	0	0	0	112.2

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