A0A3Q0KTY8_SCHMA Loading...

Saposin B-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 118 aa.

						>A0A3Q0KTY8_SCHMA|A0A3Q0KTY8
MNNYFLIILLYTIWINRRTNGTQLMNKQCNEDISSSNYTIQSTIKCSFCKIIVNTARKVMMKLSTIEMIHSIIYEMCSVIEEYTLECYDVASQIVDSYLIVFNRTQALDTCMQVSFCS
					

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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	43.6	Very low	48.7	Very low	247 Å²	247	129.2 Å²	129.2	100%	1.217	63%	0.625	S	S	*	*				0	116.7	0	-77.2	165.8	117.2	0	0	107.5	N3	M1-N3 PolarHBondContact O-N 3.49Å
2	N	45.8	Very low	48.6	Very low	141 Å²	141	123.3 Å²	123.3	75%	0.754	60%	0.603	S	S	*	*			trans	-68.4	126.2	-163.5	-100.1	-2	0	0	0	112.9	Y4 F5	N2-Y4 PolarHBondContact O-N 3.45Å; N2-F5 PolarHBondContact O-N 3.17Å
3	N	52.3	Low	49	Very low	123 Å²	123	121.5 Å²	121.5	66%	0.658	60%	0.595	S	S	*	*	H	α-helix	trans	-50.4	-29.3	178.1	-157.7	-1.5	0	0	0	113.1	M1 F5 L6 I7	M1-N3 PolarHBondContact O-N 3.49Å; N3-F5 VanDerWaalsContact C-N 3.31Å; N3-F5 PolarHBondContact O-N 3Å; N3-L6 WeakPolarHBondContact O-CB 3.48Å; N3-L6 PolarHBondContact O-N 3.02Å; N3-L6 VanDerWaalsContact O-N 3.17Å; N3-I7 WeakPolarHBondContact O-CG1 3.4Å; N3-I7 PolarHBondContact O-N 3.31Å
4	Y	51.5	Low	49.5	Very low	167 Å²	167	116.9 Å²	116.9	66%	0.655	57%	0.569	S	S	*	*	H	α-helix	trans	-58.6	-37.5	176.8	-157	-104.9	0	0	0	113.9	N2 L6 I7 I8	N2-Y4 PolarHBondContact O-N 3.45Å; Y4-L6 VanDerWaalsContact C-N 3.3Å; Y4-L6 PolarHBondContact O-N 3.05Å; Y4-I7 PolarHBondContact O-N 3.17Å; Y4-I8 HydrophobicContact CD1-CD1 3.61Å; Y4-I8 HydrophobicContact CD1-CG1 4.32Å; Y4-I8 HydrophobicContact CE1-CD1 3.48Å; Y4-I8 VanDerWaalsContact CE1-CD1 3.48Å; Y4-I8 HydrophobicContact CE1-CG1 4.22Å; Y4-I8 WeakPolarHBondContact O-CG1 3.39Å; Y4-I8 PolarHBondContact O-N 3.17Å
5	F	44.6	Very low	49.6	Very low	148 Å²	148	113.3 Å²	113.3	65%	0.649	55%	0.552	S	S	*	*	H	α-helix	trans	-69	-33.5	179.9	-142.7	-89.1	0	0	0	111.5	N2 N3 L9	N2-F5 PolarHBondContact O-N 3.17Å; N3-F5 VanDerWaalsContact C-N 3.31Å; N3-F5 PolarHBondContact O-N 3Å; F5-L9 HydrophobicContact CD1-CD1 3.83Å; F5-L9 HydrophobicContact CD1-CG 4.3Å; F5-L9 HydrophobicContact CE1-CD1 4.22Å; F5-L9 WeakPolarHBondContact O-CB 3.43Å; F5-L9 WeakPolarHBondContact O-CG 3.47Å; F5-L9 PolarHBondContact O-N 3.33Å
6	L	51.7	Low	49.5	Very low	108 Å²	108	112.9 Å²	112.9	57%	0.565	55%	0.553	S	S	*	*	H	α-helix	trans	-68.3	-41	176	-139.4	111.5	0	0	0	110.8	N3 Y4 L9 L10	N3-L6 WeakPolarHBondContact O-CB 3.48Å; N3-L6 PolarHBondContact O-N 3.02Å; N3-L6 VanDerWaalsContact O-N 3.17Å; Y4-L6 VanDerWaalsContact C-N 3.3Å; Y4-L6 PolarHBondContact O-N 3.05Å; L6-L9 PolarHBondContact O-N 2.84Å; L6-L10 HydrophobicContact CD2-CD1 4.19Å; L6-L10 WeakPolarHBondContact O-CB 3.25Å; L6-L10 VanDerWaalsContact O-CG 3.25Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 3.29Å
7	I	49.9	Very low	49.5	Very low	96 Å²	96	115.9 Å²	115.9	49%	0.492	56%	0.557	S	S	.	*	H	α-helix	trans	-63.5	-45.9	177	-63.5	168.2	0	0	0	110.8	N3 Y4 L9 L10 Y11	N3-I7 WeakPolarHBondContact O-CG1 3.4Å; N3-I7 PolarHBondContact O-N 3.31Å; Y4-I7 PolarHBondContact O-N 3.17Å; I7-L9 PolarHBondContact O-N 3.45Å; I7-L10 PolarHBondContact O-N 3.32Å; I7-Y11 WeakPolarHBondContact O-CB 3.43Å; I7-Y11 PolarHBondContact O-N 3.03Å
8	I	47.9	Very low	49.4	Very low	79 Å²	79	112.2 Å²	112.2	41%	0.405	54%	0.537	S	S	.	.	H	α-helix	trans	-63.1	-42.5	177.4	-67	170.8	0	0	0	111.1	Y4 Y11 T12	Y4-I8 HydrophobicContact CD1-CD1 3.61Å; Y4-I8 HydrophobicContact CD1-CG1 4.32Å; Y4-I8 HydrophobicContact CE1-CD1 3.48Å; Y4-I8 VanDerWaalsContact CE1-CD1 3.48Å; Y4-I8 HydrophobicContact CE1-CG1 4.22Å; Y4-I8 WeakPolarHBondContact O-CG1 3.39Å; Y4-I8 PolarHBondContact O-N 3.17Å; I8-Y11 PolarHBondContact O-N 2.69Å; I8-T12 PolarHBondContact O-N 3.43Å; I8-T12 PolarHBondContact O-OG1 3.24Å
9	L	49.7	Very low	49.3	Very low	84 Å²	84	109.8 Å²	109.8	44%	0.44	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-44.3	176.9	-81.4	167.3	0	0	0	111.4	F5 L6 I7 Y11 T12 I13	F5-L9 HydrophobicContact CD1-CD1 3.83Å; F5-L9 HydrophobicContact CD1-CG 4.3Å; F5-L9 HydrophobicContact CE1-CD1 4.22Å; F5-L9 WeakPolarHBondContact O-CB 3.43Å; F5-L9 WeakPolarHBondContact O-CG 3.47Å; F5-L9 PolarHBondContact O-N 3.33Å; L6-L9 PolarHBondContact O-N 2.84Å; I7-L9 PolarHBondContact O-N 3.45Å; L9-Y11 VanDerWaalsContact C-N 3.31Å; L9-Y11 PolarHBondContact O-N 3.48Å; L9-T12 WeakPolarHBondContact CA-OG1 3.38Å; L9-T12 PolarHBondContact O-N 3.39Å; L9-T12 PolarHBondContact O-OG1 2.85Å; L9-I13 VanDerWaalsContact O-CB 3.26Å; L9-I13 WeakPolarHBondContact O-CB 3.1Å; L9-I13 WeakPolarHBondContact O-CD1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 2.82Å
10	L	50.6	Low	49.4	Very low	107 Å²	107	109.7 Å²	109.7	56%	0.56	53%	0.532	S	S	*	.	H	α-helix	trans	-63.3	-39.5	175.9	-71	173.8	0	0	0	111.5	L6 I7 W14	L6-L10 HydrophobicContact CD2-CD1 4.19Å; L6-L10 WeakPolarHBondContact O-CB 3.25Å; L6-L10 VanDerWaalsContact O-CG 3.25Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 3.29Å; I7-L10 PolarHBondContact O-N 3.32Å; L10-W14 WeakPolarHBondContact O-CB 3.39Å; L10-W14 PolarHBondContact O-N 2.84Å
11	Y	47.9	Very low	49.3	Very low	121 Å²	121	105.5 Å²	105.5	48%	0.475	52%	0.518	S	S	.	.	H	α-helix	trans	-68.4	-41.9	177.8	-167.7	-106.8	0	0	0	112.4	I7 I8 L9 W14 I15	I7-Y11 WeakPolarHBondContact O-CB 3.43Å; I7-Y11 PolarHBondContact O-N 3.03Å; I8-Y11 PolarHBondContact O-N 2.69Å; L9-Y11 VanDerWaalsContact C-N 3.31Å; L9-Y11 PolarHBondContact O-N 3.48Å; Y11-W14 HydrophobicContact CD2-CE3 4.33Å; Y11-W14 HydrophobicContact CE2-CE3 4.17Å; Y11-W14 HydrophobicContact CE2-CZ3 4.18Å; Y11-W14 CarbonylContact O-C 3.56Å; Y11-W14 WeakPolarHBondContact O-CB 3.34Å; Y11-W14 PolarHBondContact O-N 2.9Å; Y11-I15 HydrophobicContact CD1-CD1 3.55Å; Y11-I15 HydrophobicContact CD1-CG1 4.33Å; Y11-I15 HydrophobicContact CE1-CD1 3.28Å; Y11-I15 HydrophobicContact CE1-CG1 4.13Å; Y11-I15 HydrophobicContact CG-CD1 4.47Å; Y11-I15 WeakPolarHBondContact O-CG1 3.36Å; Y11-I15 PolarHBondContact O-N 2.87Å
12	T	48	Very low	49.4	Very low	59 Å²	59	96 Å²	96	36%	0.362	47%	0.474	S	S	.	.	H	α-helix	trans	-71.5	-38.3	176.1	38.4	0	0	0	0	112.6	I8 L9 W14 I15 N16	I8-T12 PolarHBondContact O-N 3.43Å; I8-T12 PolarHBondContact O-OG1 3.24Å; L9-T12 WeakPolarHBondContact CA-OG1 3.38Å; L9-T12 PolarHBondContact O-N 3.39Å; L9-T12 PolarHBondContact O-OG1 2.85Å; T12-W14 PolarHBondContact O-N 2.79Å; T12-I15 PolarHBondContact O-N 3.43Å; T12-N16 WeakPolarHBondContact O-CB 3.45Å; T12-N16 PolarHBondContact O-N 2.93Å
13	I	54.1	Low	49.5	Very low	99 Å²	99	96.2 Å²	96.2	51%	0.508	47%	0.47	S	S	.	.	H	α-helix	trans	-60.8	-39.4	169.6	-69.3	164.3	0	0	0	109.6	L9 R17	L9-I13 VanDerWaalsContact O-CB 3.26Å; L9-I13 WeakPolarHBondContact O-CB 3.1Å; L9-I13 WeakPolarHBondContact O-CD1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 2.82Å; I13-R17 WeakPolarHBondContact O-CB 3.36Å; I13-R17 PolarHBondContact O-N 3.38Å
14	W	55.8	Low	49.5	Very low	58 Å²	58	95.9 Å²	95.9	22%	0.22	47%	0.468	C	S	.	.	H	α-helix	trans	-67.9	-44.1	177.3	-173.7	82.2	0	0	0	112.1	L10 Y11 T12 R17 R18 I72 E75	L10-W14 WeakPolarHBondContact O-CB 3.39Å; L10-W14 PolarHBondContact O-N 2.84Å; Y11-W14 HydrophobicContact CD2-CE3 4.33Å; Y11-W14 HydrophobicContact CE2-CE3 4.17Å; Y11-W14 HydrophobicContact CE2-CZ3 4.18Å; Y11-W14 CarbonylContact O-C 3.56Å; Y11-W14 WeakPolarHBondContact O-CB 3.34Å; Y11-W14 PolarHBondContact O-N 2.9Å; T12-W14 PolarHBondContact O-N 2.79Å; W14-R17 CarbonylContact O-C 3.59Å; W14-R17 PolarHBondContact O-N 3.19Å; W14-R18 WeakPolarHBondContact O-CB 3.12Å; W14-R18 PolarHBondContact O-N 2.94Å; W14-I72 HydrophobicContact CZ2-CB 4.22Å; W14-I72 HydrophobicContact CZ2-CG1 3.79Å; W14-I72 HydrophobicContact CZ2-CG2 3.99Å; W14-E75 HydrophobicContact CH2-CB 4.1Å; W14-E75 WeakPolarHBondContact CH2-OE2 3.44Å; W14-E75 VanDerWaalsContact CZ3-OE2 3.25Å; W14-E75 WeakPolarHBondContact CZ3-OE2 3.36Å
15	I	50.3	Low	49.4	Very low	62 Å²	62	88.8 Å²	88.8	32%	0.318	44%	0.441	S	S	.	.	H	α-helix	trans	-60.9	-45.2	172.5	-70.1	167.8	0	0	0	111.5	Y11 T12 R17 R18 T19	Y11-I15 HydrophobicContact CD1-CD1 3.55Å; Y11-I15 HydrophobicContact CD1-CG1 4.33Å; Y11-I15 HydrophobicContact CE1-CD1 3.28Å; Y11-I15 HydrophobicContact CE1-CG1 4.13Å; Y11-I15 HydrophobicContact CG-CD1 4.47Å; Y11-I15 WeakPolarHBondContact O-CG1 3.36Å; Y11-I15 PolarHBondContact O-N 2.87Å; T12-I15 PolarHBondContact O-N 3.43Å; I15-R17 PolarHBondContact O-N 2.86Å; I15-R18 WeakPolarHBondContact O-CA 3.49Å; I15-R18 WeakPolarHBondContact O-CB 3.25Å; I15-R18 PolarHBondContact O-N 3.26Å; I15-T19 PolarHBondContact O-N 3.02Å
16	N	47.9	Very low	49.8	Very low	108 Å²	108	86.6 Å²	86.6	58%	0.578	44%	0.436	S	S	*	.	H	α-helix	trans	-66.3	-28.2	177.5	-88.9	-36	0	0	0	112.4	T12 T19	T12-N16 WeakPolarHBondContact O-CB 3.45Å; T12-N16 PolarHBondContact O-N 2.93Å; N16-T19 PolarHBondContact O-OG1 2.99Å
17	R	50.8	Low	49.8	Very low	163 Å²	163	87.7 Å²	87.7	62%	0.615	44%	0.436	S	S	*	.	H	α-helix	trans	-76.2	-29.5	171.1	-148.3	174.4	-147.5	179.4	9	111.8	I13 W14 I15 N20 G21	I13-R17 WeakPolarHBondContact O-CB 3.36Å; I13-R17 PolarHBondContact O-N 3.38Å; W14-R17 CarbonylContact O-C 3.59Å; W14-R17 PolarHBondContact O-N 3.19Å; I15-R17 PolarHBondContact O-N 2.86Å; R17-N20 PolarHBondContact O-N 3.02Å; R17-G21 PolarHBondContact O-N 3.05Å; R17-G21 VanDerWaalsContact O-N 3.14Å
18	R	46.8	Very low	50	Low	50 Å²	50	86.6 Å²	86.6	19%	0.189	43%	0.429	C	S	.	.	H	α-helix	trans	-66.5	-41.9	176.3	-165.5	-176.6	-166	158.3	-2.4	112	W14 I15 N20 G21 T22 E75	W14-R18 WeakPolarHBondContact O-CB 3.12Å; W14-R18 PolarHBondContact O-N 2.94Å; I15-R18 WeakPolarHBondContact O-CA 3.49Å; I15-R18 WeakPolarHBondContact O-CB 3.25Å; I15-R18 PolarHBondContact O-N 3.26Å; R18-N20 VanDerWaalsContact C-N 3.31Å; R18-N20 PolarHBondContact O-N 3Å; R18-G21 WeakPolarHBondContact O-CA 3.43Å; R18-G21 PolarHBondContact O-N 3.45Å; R18-T22 WeakPolarHBondContact O-CG2 3.16Å; R18-T22 PolarHBondContact O-N 3.22Å; R18-E75 IonicContact CZ-OE2 3.21Å; R18-E75 IonicContact NH1-OE2 2.7Å; R18-E75 PolarHBondContact NH1-OE2 3.2Å; R18-E75 VanDerWaalsContact NH2-CB 3.26Å; R18-E75 PolarHBondContact NH2-O 3.33Å; R18-E75 IonicContact NH2-OE2 2.93Å; R18-E75 PolarHBondContact NH2-OE2 3.4Å
19	T	47.9	Very low	50.1	Low	67 Å²	67	84.1 Å²	84.1	41%	0.411	42%	0.418	S	S	.	.	H	α-helix	trans	-63.3	-35.2	175.6	52.1	0	0	0	0	112.7	I15 N16 G21 T22 Q23	I15-T19 PolarHBondContact O-N 3.02Å; N16-T19 PolarHBondContact O-OG1 2.99Å; T19-G21 VanDerWaalsContact C-N 3.34Å; T19-T22 PolarHBondContact O-OG1 3.01Å; T19-Q23 PolarHBondContact O-N 3.28Å
20	N	50.7	Low	50.1	Low	106 Å²	106	85.1 Å²	85.1	57%	0.567	42%	0.424	S	S	*	.	H	α-helix	trans	-70.1	-32.5	171.6	-73.7	-15.7	0	0	0	112.3	R17 R18 L24	R17-N20 PolarHBondContact O-N 3.02Å; R18-N20 VanDerWaalsContact C-N 3.31Å; R18-N20 PolarHBondContact O-N 3Å; N20-L24 WeakPolarHBondContact O-CG 3.4Å; N20-L24 PolarHBondContact O-N 3.01Å
21	G	47.1	Very low	50.3	Low	23 Å²	23	85.3 Å²	85.3	24%	0.237	42%	0.422	C	S	.	.	H	α-helix	trans	-65.4	-45.8	175.4	0	0	0	0	0	112.8	R17 R18 T19 Q23 L24 M25	R17-G21 PolarHBondContact O-N 3.05Å; R17-G21 VanDerWaalsContact O-N 3.14Å; R18-G21 WeakPolarHBondContact O-CA 3.43Å; R18-G21 PolarHBondContact O-N 3.45Å; T19-G21 VanDerWaalsContact C-N 3.34Å; G21-Q23 VanDerWaalsContact C-N 3.34Å; G21-Q23 PolarHBondContact O-N 3.02Å; G21-L24 WeakPolarHBondContact O-CB 3.32Å; G21-L24 PolarHBondContact O-N 2.92Å; G21-L24 VanDerWaalsContact O-N 3.16Å; G21-M25 VanDerWaalsContact O-CG 3.28Å; G21-M25 WeakPolarHBondContact O-CG 3.49Å; G21-M25 PolarHBondContact O-N 2.97Å
22	T	45.7	Very low	50.3	Low	47 Å²	47	81.1 Å²	81.1	29%	0.288	41%	0.408	S	S	.	.	H	α-helix	trans	-64.6	-36.8	-178.5	55.9	0	0	0	0	112.6	R18 T19 M25 N26 V79	R18-T22 WeakPolarHBondContact O-CG2 3.16Å; R18-T22 PolarHBondContact O-N 3.22Å; T19-T22 PolarHBondContact O-OG1 3.01Å; T22-M25 PolarHBondContact O-N 3.46Å; T22-N26 PolarHBondContact O-N 3.33Å; T22-V79 HydrophobicContact CG2-CG1 3.74Å
23	Q	49	Very low	50.4	Low	146 Å²	146	83 Å²	83	68%	0.682	42%	0.415	S	S	*	.	H	α-helix	trans	-65.2	-38.6	174	-68.2	-158.9	15.7	0	0	112.5	T19 G21 M25 K27	T19-Q23 PolarHBondContact O-N 3.28Å; G21-Q23 VanDerWaalsContact C-N 3.34Å; G21-Q23 PolarHBondContact O-N 3.02Å; Q23-M25 VanDerWaalsContact C-N 3.34Å; Q23-K27 WeakPolarHBondContact O-CB 3.5Å; Q23-K27 PolarHBondContact O-N 3.14Å
24	L	52	Low	50.3	Low	115 Å²	115	83.6 Å²	83.6	60%	0.602	43%	0.428	S	S	*	.	H	α-helix	trans	-65.7	-39.1	174.5	-71.1	167.7	0	0	0	111.5	N20 G21 K27 Q28	N20-L24 WeakPolarHBondContact O-CG 3.4Å; N20-L24 PolarHBondContact O-N 3.01Å; G21-L24 WeakPolarHBondContact O-CB 3.32Å; G21-L24 PolarHBondContact O-N 2.92Å; G21-L24 VanDerWaalsContact O-N 3.16Å; L24-K27 PolarHBondContact O-N 3.28Å; L24-Q28 WeakPolarHBondContact O-CB 3.43Å; L24-Q28 PolarHBondContact O-N 3.3Å
25	M	49.9	Very low	49.8	Very low	18 Å²	18	85.7 Å²	85.7	9%	0.089	45%	0.451	C	S	.	.	H	α-helix	trans	-63.9	-46.5	177.5	-66.1	171.8	65.5	0	0	111.5	G21 T22 Q23 K27 Q28 C29 F48 I51 M76 I80	G21-M25 VanDerWaalsContact O-CG 3.28Å; G21-M25 WeakPolarHBondContact O-CG 3.49Å; G21-M25 PolarHBondContact O-N 2.97Å; T22-M25 PolarHBondContact O-N 3.46Å; Q23-M25 VanDerWaalsContact C-N 3.34Å; M25-K27 VanDerWaalsContact C-N 3.35Å; M25-K27 PolarHBondContact O-N 3.42Å; M25-Q28 PolarHBondContact O-N 3.48Å; M25-C29 PolarHBondContact O-N 2.98Å; M25-C29 PolarHBondContact O-SG 3.13Å; M25-C29 VanDerWaalsContact O-SG 3.32Å; M25-F48 HydrophobicContact CE-CD1 4.48Å; M25-F48 HydrophobicContact CE-CE1 4.44Å; M25-I51 HydrophobicContact CB-CD1 3.89Å; M25-I51 HydrophobicContact CE-CD1 4.13Å; M25-I51 HydrophobicContact CE-CG2 3.92Å; M25-I51 HydrophobicContact CG-CB 4.48Å; M25-I51 HydrophobicContact CG-CD1 3.55Å; M25-I51 HydrophobicContact CG-CG1 3.97Å; M25-I51 HydrophobicContact CG-CG2 3.73Å; M25-I51 HydrophobicContact SD-CG2 3.75Å; M25-M76 HydrophobicContact CE-CE 4.34Å; M25-M76 HydrophobicContact SD-CE 3.56Å; M25-M76 VanDerWaalsContact SD-CE 3.56Å; M25-I80 HydrophobicContact CE-CD1 3.31Å; M25-I80 HydrophobicContact CE-CG1 4.24Å
26	N	51.7	Low	49.5	Very low	102 Å²	102	85.3 Å²	85.3	55%	0.545	45%	0.454	S	S	.	.	H	α-helix	trans	-63.4	-41.8	177.9	-170.1	-4.5	0	0	0	111.6	T22 N30	T22-N26 PolarHBondContact O-N 3.33Å; N26-N30 PolarHBondContact O-N 3.03Å; N26-N30 VanDerWaalsContact O-N 3.17Å
27	K	52.1	Low	49.4	Very low	131 Å²	131	88.1 Å²	88.1	57%	0.57	47%	0.469	S	S	*	.	H	α-helix	trans	-63.3	-45	177.4	-168.9	-179.5	177.6	-169.7	0	112.3	Q23 L24 M25 N30 E31	Q23-K27 WeakPolarHBondContact O-CB 3.5Å; Q23-K27 PolarHBondContact O-N 3.14Å; L24-K27 PolarHBondContact O-N 3.28Å; M25-K27 VanDerWaalsContact C-N 3.35Å; M25-K27 PolarHBondContact O-N 3.42Å; K27-N30 PolarHBondContact O-N 3.36Å; K27-E31 VanDerWaalsContact CE-OE1 3.24Å; K27-E31 WeakPolarHBondContact CE-OE1 3.43Å; K27-E31 PolarHBondContact O-N 2.89Å
28	Q	53.8	Low	49.1	Very low	73 Å²	73	89.6 Å²	89.6	34%	0.341	48%	0.476	S	S	.	.	H	α-helix	trans	-67.1	-40.7	-179.2	-170	64.2	48.5	0	0	112	L24 M25 N30 E31 D32	L24-Q28 WeakPolarHBondContact O-CB 3.43Å; L24-Q28 PolarHBondContact O-N 3.3Å; M25-Q28 PolarHBondContact O-N 3.48Å; Q28-N30 VanDerWaalsContact C-N 3.31Å; Q28-N30 PolarHBondContact O-N 2.93Å; Q28-E31 PolarHBondContact O-N 3.05Å; Q28-D32 PolarHBondContact NE2-OD1 2.7Å; Q28-D32 PolarHBondContact NE2-OD2 2.93Å; Q28-D32 PolarHBondContact O-N 3.36Å; Q28-D32 VanDerWaalsContact O-N 3.16Å
29	C	49.7	Very low	49.3	Very low	28 Å²	28	90.3 Å²	90.3	19%	0.189	49%	0.486	C	S	.	.	H	α-helix	trans	-59.9	-41.6	175.6	-72.4	0	0	0	0	111.9	M25 E31 D32 I33	M25-C29 PolarHBondContact O-N 2.98Å; M25-C29 PolarHBondContact O-SG 3.13Å; M25-C29 VanDerWaalsContact O-SG 3.32Å; C29-E31 PolarHBondContact O-N 2.83Å; C29-D32 PolarHBondContact O-N 3.4Å; C29-I33 WeakPolarHBondContact O-CD1 3.36Å; C29-I33 VanDerWaalsContact O-CG1 3.22Å; C29-I33 WeakPolarHBondContact O-CG1 3.39Å; C29-I33 PolarHBondContact O-N 3.34Å
30	N	50.4	Low	49.8	Very low	105 Å²	105	92.5 Å²	92.5	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-68.4	-33.9	-180	-78.1	-12.5	0	0	0	113.5	N26 K27 Q28	N26-N30 PolarHBondContact O-N 3.03Å; N26-N30 VanDerWaalsContact O-N 3.17Å; K27-N30 PolarHBondContact O-N 3.36Å; Q28-N30 VanDerWaalsContact C-N 3.31Å; Q28-N30 PolarHBondContact O-N 2.93Å
31	E	53.9	Low	50.2	Low	111 Å²	111	93 Å²	93	52%	0.519	49%	0.493	S	S	.	.	H	α-helix	trans	-70.9	-39.2	177.1	-71.5	178.1	-174.9	0	0	111.6	K27 Q28 C29	K27-E31 VanDerWaalsContact CE-OE1 3.24Å; K27-E31 WeakPolarHBondContact CE-OE1 3.43Å; K27-E31 PolarHBondContact O-N 2.89Å; Q28-E31 PolarHBondContact O-N 3.05Å; C29-E31 PolarHBondContact O-N 2.83Å
32	D	48.4	Very low	50.9	Low	33 Å²	33	93.3 Å²	93.3	18%	0.176	49%	0.491	C	S	.	.	H	α-helix	trans	-74.3	-27.7	-177	-67.2	-30.4	0	0	0	112.9	Q28 C29 S34 T43 S47	Q28-D32 PolarHBondContact NE2-OD1 2.7Å; Q28-D32 PolarHBondContact NE2-OD2 2.93Å; Q28-D32 PolarHBondContact O-N 3.36Å; Q28-D32 VanDerWaalsContact O-N 3.16Å; C29-D32 PolarHBondContact O-N 3.4Å; D32-S34 PolarHBondContact O-N 2.98Å; D32-T43 HydrophobicContact CB-CG2 3.64Å; D32-T43 WeakPolarHBondContact O-CG2 3.37Å; D32-S47 PolarHBondContact OD2-OG 3.25Å
33	I	51.5	Low	52.2	Low	99 Å²	99	92.1 Å²	92.1	51%	0.508	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-67.1	-22.2	179.2	-70.1	164	0	0	0	112.4	C29 S35	C29-I33 WeakPolarHBondContact O-CD1 3.36Å; C29-I33 VanDerWaalsContact O-CG1 3.22Å; C29-I33 WeakPolarHBondContact O-CG1 3.39Å; C29-I33 PolarHBondContact O-N 3.34Å; I33-S35 VanDerWaalsContact C-N 3.32Å; I33-S35 PolarHBondContact O-N 3.13Å
34	S	50.6	Low	53.5	Low	111 Å²	111	86.2 Å²	86.2	78%	0.776	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-73.6	-14.7	-175.1	-175.7	0	0	0	0	114.8	D32	D32-S34 PolarHBondContact O-N 2.98Å
35	S	45.2	Very low	54.7	Low	102 Å²	102	83 Å²	83	71%	0.713	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-110.7	-2.5	-165.4	73.7	0	0	0	0	118	I33	I33-S35 VanDerWaalsContact C-N 3.32Å; I33-S35 PolarHBondContact O-N 3.13Å
36	S	43.5	Very low	56	Low	53 Å²	53	83 Å²	83	37%	0.371	44%	0.44	S	S	.	.			trans	-157.9	111.6	-177.4	35.3	0	0	0	0	114.8	Y38	S36-Y38 PolarHBondContact O-N 3.42Å; S36-Y38 VanDerWaalsContact O-N 3.14Å
37	N	47.7	Very low	57.4	Low	167 Å²	167	78.2 Å²	78.2	89%	0.893	41%	0.414	S	S	*	.	S	Bend	trans	-78	21.1	171	-164.8	18.2	0	0	0	113.2
38	Y	43.6	Very low	58.6	Low	195 Å²	195	72.2 Å²	72.2	77%	0.765	39%	0.388	S	S	*	.	S	Bend	trans	-127.7	117.9	167.1	-159.4	-101.9	0	0	0	106.7	S36	S36-Y38 PolarHBondContact O-N 3.42Å; S36-Y38 VanDerWaalsContact O-N 3.14Å
39	T	51.5	Low	59.7	Low	65 Å²	65	68.8 Å²	68.8	40%	0.399	37%	0.372	S	S	.	.			trans	69.4	65.3	177.9	49.9	0	0	0	0	117.2	Q41 S42 T43	T39-Q41 PolarHBondContact O-N 3.48Å; T39-Q41 VanDerWaalsContact O-N 3.07Å; T39-S42 WeakPolarHBondContact CB-OG 3.39Å; T39-S42 PolarHBondContact O-N 2.88Å; T39-S42 PolarHBondContact O-OG 2.89Å; T39-S42 PolarHBondContact OG1-OG 3.04Å; T39-T43 PolarHBondContact O-N 3.4Å; T39-T43 PolarHBondContact O-OG1 2.86Å
40	I	56.9	Low	61.2	Low	112 Å²	112	69.9 Å²	69.9	57%	0.574	37%	0.374	S	S	*	.	H	α-helix	trans	-43.7	-40.9	161	-64.7	171.1	0	0	0	110.8	T43 I44	I40-T43 PolarHBondContact O-N 3.43Å; I40-I44 HydrophobicContact CG2-CD1 3.68Å; I40-I44 HydrophobicContact CG2-CG1 4.44Å; I40-I44 WeakPolarHBondContact O-CB 3.09Å; I40-I44 WeakPolarHBondContact O-CG1 3.3Å; I40-I44 PolarHBondContact O-N 3.14Å
41	Q	59.2	Low	62.5	Low	117 Å²	117	65.9 Å²	65.9	55%	0.547	35%	0.352	S	S	.	.	H	α-helix	trans	-67.4	-38.5	178.2	-162.4	-177.1	25.6	0	0	113.6	T39 K45	T39-Q41 PolarHBondContact O-N 3.48Å; T39-Q41 VanDerWaalsContact O-N 3.07Å; Q41-K45 HydrophobicContact CG-CD 4.36Å; Q41-K45 VanDerWaalsContact O-CB 3.31Å; Q41-K45 WeakPolarHBondContact O-CB 3.25Å; Q41-K45 VanDerWaalsContact O-CG 3.24Å; Q41-K45 WeakPolarHBondContact O-CG 3.31Å; Q41-K45 PolarHBondContact O-N 2.98Å
42	S	62	Low	63.6	Low	30 Å²	30	60.8 Å²	60.8	21%	0.21	33%	0.328	C	S	.	.	H	α-helix	trans	-71.5	-38.2	177.4	75.6	0	0	0	0	110.3	T39 I44 K45 C46	T39-S42 WeakPolarHBondContact CB-OG 3.39Å; T39-S42 PolarHBondContact O-N 2.88Å; T39-S42 PolarHBondContact O-OG 2.89Å; T39-S42 PolarHBondContact OG1-OG 3.04Å; S42-I44 PolarHBondContact O-N 2.72Å; S42-K45 PolarHBondContact O-N 3.44Å; S42-C46 WeakPolarHBondContact O-CB 3.45Å; S42-C46 PolarHBondContact O-N 3Å
43	T	73	Confident	65	Low	22 Å²	22	59.2 Å²	59.2	14%	0.135	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-46.8	175.3	-54.7	0	0	0	0	111	D32 T39 I40 C46 S47	D32-T43 HydrophobicContact CB-CG2 3.64Å; D32-T43 WeakPolarHBondContact O-CG2 3.37Å; T39-T43 PolarHBondContact O-N 3.4Å; T39-T43 PolarHBondContact O-OG1 2.86Å; I40-T43 PolarHBondContact O-N 3.43Å; T43-C46 PolarHBondContact O-N 2.78Å; T43-S47 WeakPolarHBondContact O-CB 3.49Å; T43-S47 PolarHBondContact O-N 2.92Å
44	I	77.2	Confident	66.3	Low	22 Å²	22	57.9 Å²	57.9	11%	0.113	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-48.4	177.6	-69.7	170.6	0	0	0	111	I40 S42 C46 S47 F48 Y83	I40-I44 HydrophobicContact CG2-CD1 3.68Å; I40-I44 HydrophobicContact CG2-CG1 4.44Å; I40-I44 WeakPolarHBondContact O-CB 3.09Å; I40-I44 WeakPolarHBondContact O-CG1 3.3Å; I40-I44 PolarHBondContact O-N 3.14Å; S42-I44 PolarHBondContact O-N 2.72Å; I44-C46 VanDerWaalsContact C-N 3.3Å; I44-C46 PolarHBondContact O-N 3.02Å; I44-S47 PolarHBondContact O-N 3.32Å; I44-F48 HydrophobicContact CG2-CD2 3.6Å; I44-F48 HydrophobicContact CG2-CE2 3.2Å; I44-F48 HydrophobicContact CG2-CZ 4.07Å; I44-F48 WeakPolarHBondContact O-CD2 3.26Å; I44-F48 PolarHBondContact O-N 3.4Å; I44-Y83 HydrophobicContact CD1-CD1 4.45Å; I44-Y83 HydrophobicContact CD1-CE1 3.82Å; I44-Y83 HydrophobicContact CG2-CD1 4.3Å
45	K	76.1	Confident	67.3	Low	47 Å²	47	53.8 Å²	53.8	20%	0.204	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-40.6	177	-75.7	-176.7	177.1	-158.6	0	111.9	Q41 S42 F48 C49 D89 V90 F116	Q41-K45 HydrophobicContact CG-CD 4.36Å; Q41-K45 VanDerWaalsContact O-CB 3.31Å; Q41-K45 WeakPolarHBondContact O-CB 3.25Å; Q41-K45 VanDerWaalsContact O-CG 3.24Å; Q41-K45 WeakPolarHBondContact O-CG 3.31Å; Q41-K45 PolarHBondContact O-N 2.98Å; S42-K45 PolarHBondContact O-N 3.44Å; K45-F48 PolarHBondContact O-N 3.34Å; K45-C49 WeakPolarHBondContact O-CB 3.46Å; K45-C49 PolarHBondContact O-N 3.29Å; K45-D89 IonicContact NZ-OD2 3.67Å; K45-V90 HydrophobicContact CB-CG2 4.34Å; K45-V90 HydrophobicContact CG-CG2 4.19Å; K45-F116 HydrophobicContact CB-CB 4.47Å; K45-F116 HydrophobicContact CB-CD1 4.32Å; K45-F116 HydrophobicContact CD-CD1 4.38Å
46	C	78.9	Confident	68.5	Low	18 Å²	18	49 Å²	49	12%	0.122	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-45.3	176.4	-178	0	0	0	0	111.4	S42 T43 I44 C49 K50 F116 C117	S42-C46 WeakPolarHBondContact O-CB 3.45Å; S42-C46 PolarHBondContact O-N 3Å; T43-C46 PolarHBondContact O-N 2.78Å; I44-C46 VanDerWaalsContact C-N 3.3Å; I44-C46 PolarHBondContact O-N 3.02Å; C46-C49 PolarHBondContact O-N 2.96Å; C46-K50 WeakPolarHBondContact O-CG 3.32Å; C46-K50 PolarHBondContact O-N 3.16Å; C46-F116 WeakPolarHBondContact CA-O 3.1Å; C46-F116 VanDerWaalsContact CB-O 3.29Å; C46-F116 WeakPolarHBondContact CB-O 3.22Å; C46-F116 PolarHBondContact N-O 3.44Å; C46-C117 WeakPolarHBondContact CA-SG 3.31Å; C46-C117 HydrophobicContact CB-CB 3.92Å; C46-C117 WeakPolarHBondContact CB-SG 3.46Å; C46-C117 WeakPolarHBondContact SG-CB 3.43Å; C46-C117 CovalentContact SG-SG 2.03Å; C46-C117 PolarHBondContact SG-SG 3.33Å
47	S	80.5	Confident	69.9	Low	1 Å²	1	48.8 Å²	48.8	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-47.8	177.9	-152.3	0	0	0	0	111	D32 T43 I44 C49 K50 I51	D32-S47 PolarHBondContact OD2-OG 3.25Å; T43-S47 WeakPolarHBondContact O-CB 3.49Å; T43-S47 PolarHBondContact O-N 2.92Å; I44-S47 PolarHBondContact O-N 3.32Å; S47-C49 VanDerWaalsContact C-N 3.35Å; S47-C49 PolarHBondContact O-N 3.19Å; S47-K50 PolarHBondContact O-N 3.42Å; S47-I51 WeakPolarHBondContact O-CD1 3.31Å; S47-I51 WeakPolarHBondContact O-CG1 3.46Å; S47-I51 PolarHBondContact O-N 2.96Å
48	F	76.9	Confident	71	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-44.1	174.8	-72.4	-43.5	0	0	0	112.6	M25 I44 K45 K50 I51 I52 I80 Y83 V90	M25-F48 HydrophobicContact CE-CD1 4.48Å; M25-F48 HydrophobicContact CE-CE1 4.44Å; I44-F48 HydrophobicContact CG2-CD2 3.6Å; I44-F48 HydrophobicContact CG2-CE2 3.2Å; I44-F48 HydrophobicContact CG2-CZ 4.07Å; I44-F48 WeakPolarHBondContact O-CD2 3.26Å; I44-F48 PolarHBondContact O-N 3.4Å; K45-F48 PolarHBondContact O-N 3.34Å; F48-K50 VanDerWaalsContact C-N 3.34Å; F48-K50 PolarHBondContact O-N 3.42Å; F48-I51 PolarHBondContact O-N 3.42Å; F48-I52 HydrophobicContact CB-CD1 4.39Å; F48-I52 WeakPolarHBondContact O-CB 3.49Å; F48-I52 VanDerWaalsContact O-CG1 3.23Å; F48-I52 WeakPolarHBondContact O-CG1 3.44Å; F48-I52 PolarHBondContact O-N 3.02Å; F48-I80 HydrophobicContact CD1-CD1 4.03Å; F48-I80 HydrophobicContact CE1-CD1 3.27Å; F48-I80 HydrophobicContact CZ-CD1 3.9Å; F48-I80 HydrophobicContact CZ-CG2 4.15Å; F48-Y83 HydrophobicContact CE2-CG 4.21Å; F48-Y83 HydrophobicContact CZ-CD2 4.47Å; F48-Y83 HydrophobicContact CZ-CG 4.2Å; F48-V90 HydrophobicContact CB-CG1 4.43Å
49	C	78	Confident	72.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-46.7	177.5	177	0	0	0	0	111.6	K45 C46 S47 I51 I52 V53 V90 I94 C111 F116	K45-C49 WeakPolarHBondContact O-CB 3.46Å; K45-C49 PolarHBondContact O-N 3.29Å; C46-C49 PolarHBondContact O-N 2.96Å; S47-C49 VanDerWaalsContact C-N 3.35Å; S47-C49 PolarHBondContact O-N 3.19Å; C49-I51 VanDerWaalsContact C-N 3.28Å; C49-I51 PolarHBondContact O-N 3.38Å; C49-I52 PolarHBondContact O-N 3.08Å; C49-V53 WeakPolarHBondContact O-CB 3.45Å; C49-V53 WeakPolarHBondContact O-CG2 3.5Å; C49-V53 PolarHBondContact O-N 3.22Å; C49-V90 HydrophobicContact CB-CG1 3.92Å; C49-I94 HydrophobicContact CB-CD1 4Å; C49-I94 VanDerWaalsContact SG-CD1 3.57Å; C49-C111 HydrophobicContact CB-CB 3.76Å; C49-C111 WeakPolarHBondContact CB-SG 3.47Å; C49-C111 WeakPolarHBondContact SG-CA 3.37Å; C49-C111 WeakPolarHBondContact SG-CB 3.46Å; C49-C111 CovalentContact SG-SG 2.02Å; C49-C111 PolarHBondContact SG-SG 2.98Å; C49-F116 HydrophobicContact CB-CB 3.85Å; C49-F116 HydrophobicContact CB-CD2 3.83Å; C49-F116 HydrophobicContact CB-CG 4.22Å
50	K	79.2	Confident	72.9	Confident	52 Å²	52	36.9 Å²	36.9	23%	0.226	18%	0.182	C	C	.	.	H	α-helix	trans	-57.9	-43.7	178.4	-73.4	170.8	-179.1	171.1	0	111.2	C46 S47 F48 N54 C111	C46-K50 WeakPolarHBondContact O-CG 3.32Å; C46-K50 PolarHBondContact O-N 3.16Å; S47-K50 PolarHBondContact O-N 3.42Å; F48-K50 VanDerWaalsContact C-N 3.34Å; F48-K50 PolarHBondContact O-N 3.42Å; K50-N54 VanDerWaalsContact O-CB 3.28Å; K50-N54 WeakPolarHBondContact O-CB 3.24Å; K50-N54 VanDerWaalsContact O-CG 3.26Å; K50-N54 PolarHBondContact O-N 3.45Å; K50-N54 PolarHBondContact O-ND2 2.87Å; K50-N54 VanDerWaalsContact O-ND2 3.08Å; K50-C111 PolarHBondContact N-SG 2.99Å
51	I	78.9	Confident	73.3	Confident	21 Å²	21	39.5 Å²	39.5	11%	0.108	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-47.3	179.1	-68.2	155.4	0	0	0	111	M25 S47 F48 C49 N54 T55 M76	M25-I51 HydrophobicContact CB-CD1 3.89Å; M25-I51 HydrophobicContact CE-CD1 4.13Å; M25-I51 HydrophobicContact CE-CG2 3.92Å; M25-I51 HydrophobicContact CG-CB 4.48Å; M25-I51 HydrophobicContact CG-CD1 3.55Å; M25-I51 HydrophobicContact CG-CG1 3.97Å; M25-I51 HydrophobicContact CG-CG2 3.73Å; M25-I51 HydrophobicContact SD-CG2 3.75Å; S47-I51 WeakPolarHBondContact O-CD1 3.31Å; S47-I51 WeakPolarHBondContact O-CG1 3.46Å; S47-I51 PolarHBondContact O-N 2.96Å; F48-I51 PolarHBondContact O-N 3.42Å; C49-I51 VanDerWaalsContact C-N 3.28Å; C49-I51 PolarHBondContact O-N 3.38Å; I51-N54 PolarHBondContact O-N 3.04Å; I51-T55 WeakPolarHBondContact O-CB 3.28Å; I51-T55 PolarHBondContact O-N 2.97Å; I51-T55 PolarHBondContact O-OG1 3.45Å; I51-M76 HydrophobicContact CG2-CE 3.57Å
52	I	76.8	Confident	73.6	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-48.3	-178.2	-69.5	165.2	0	0	0	109.8	F48 C49 N54 T55 A56 I73 V90 A91 I94	F48-I52 HydrophobicContact CB-CD1 4.39Å; F48-I52 WeakPolarHBondContact O-CB 3.49Å; F48-I52 VanDerWaalsContact O-CG1 3.23Å; F48-I52 WeakPolarHBondContact O-CG1 3.44Å; F48-I52 PolarHBondContact O-N 3.02Å; C49-I52 PolarHBondContact O-N 3.08Å; I52-N54 PolarHBondContact O-N 3.43Å; I52-T55 PolarHBondContact O-N 3.49Å; I52-A56 VanDerWaalsContact O-CB 3.24Å; I52-A56 WeakPolarHBondContact O-CB 3.48Å; I52-A56 PolarHBondContact O-N 3.17Å; I52-I73 HydrophobicContact CB-CG2 4.48Å; I52-I73 HydrophobicContact CD1-CG2 4.37Å; I52-I73 HydrophobicContact CG1-CG2 4.05Å; I52-I73 HydrophobicContact CG2-CD1 3.87Å; I52-I73 HydrophobicContact CG2-CG1 4.17Å; I52-I73 HydrophobicContact CG2-CG2 3.68Å; I52-V90 HydrophobicContact CD1-CB 4.13Å; I52-V90 HydrophobicContact CD1-CG1 3.66Å; I52-A91 HydrophobicContact CD1-CB 4.16Å; I52-I94 HydrophobicContact CB-CD1 3.83Å; I52-I94 HydrophobicContact CD1-CD1 4.39Å; I52-I94 HydrophobicContact CG2-CB 4.07Å; I52-I94 HydrophobicContact CG2-CD1 3.66Å; I52-I94 HydrophobicContact CG2-CG1 4.49Å; I52-I94 HydrophobicContact CG2-CG2 3.88Å
53	V	78.7	Confident	73.6	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-46.2	176.9	168.2	0	0	0	0	111.3	C49 T55 A56 R57 I94 V101 A107 T110	C49-V53 WeakPolarHBondContact O-CB 3.45Å; C49-V53 WeakPolarHBondContact O-CG2 3.5Å; C49-V53 PolarHBondContact O-N 3.22Å; V53-T55 VanDerWaalsContact C-N 3.31Å; V53-T55 PolarHBondContact O-N 2.89Å; V53-A56 PolarHBondContact O-N 3.23Å; V53-R57 VanDerWaalsContact O-CG 3.3Å; V53-R57 WeakPolarHBondContact O-CG 3.4Å; V53-R57 PolarHBondContact O-N 3.26Å; V53-I94 HydrophobicContact CG2-CD1 4.18Å; V53-I94 HydrophobicContact CG2-CG2 4.01Å; V53-V101 HydrophobicContact CG1-CG1 4.08Å; V53-A107 HydrophobicContact CB-CB 4Å; V53-A107 HydrophobicContact CG1-CB 3.59Å; V53-T110 HydrophobicContact CG2-CG2 3.7Å
54	N	78.3	Confident	73.1	Confident	72 Å²	72	46.9 Å²	46.9	39%	0.385	23%	0.228	S	C	.	.	H	α-helix	trans	-64.1	-37.6	178.3	-79.7	-33.1	0	0	0	112.5	K50 I51 I52 K58	K50-N54 VanDerWaalsContact O-CB 3.28Å; K50-N54 WeakPolarHBondContact O-CB 3.24Å; K50-N54 VanDerWaalsContact O-CG 3.26Å; K50-N54 PolarHBondContact O-N 3.45Å; K50-N54 PolarHBondContact O-ND2 2.87Å; K50-N54 VanDerWaalsContact O-ND2 3.08Å; I51-N54 PolarHBondContact O-N 3.04Å; I52-N54 PolarHBondContact O-N 3.43Å; N54-K58 WeakPolarHBondContact O-CG 3.24Å; N54-K58 PolarHBondContact O-N 3.36Å; N54-K58 VanDerWaalsContact O-N 3.13Å
55	T	70.9	Confident	72.9	Confident	25 Å²	25	49.9 Å²	49.9	15%	0.153	25%	0.248	C	C	.	.	H	α-helix	trans	-71.7	-46.2	177.6	-56.8	0	0	0	0	111.3	I51 I52 V53 R57 K58 V59 I72 M76	I51-T55 WeakPolarHBondContact O-CB 3.28Å; I51-T55 PolarHBondContact O-N 2.97Å; I51-T55 PolarHBondContact O-OG1 3.45Å; I52-T55 PolarHBondContact O-N 3.49Å; V53-T55 VanDerWaalsContact C-N 3.31Å; V53-T55 PolarHBondContact O-N 2.89Å; T55-R57 PolarHBondContact O-N 3.02Å; T55-K58 PolarHBondContact O-N 2.9Å; T55-V59 HydrophobicContact CG2-CG2 4.06Å; T55-V59 VanDerWaalsContact O-CG2 3.32Å; T55-V59 WeakPolarHBondContact O-CG2 3.14Å; T55-V59 PolarHBondContact O-N 2.99Å; T55-I72 HydrophobicContact CG2-CG2 3.99Å; T55-M76 HydrophobicContact CG2-CE 4.46Å; T55-M76 HydrophobicContact CG2-SD 3.48Å; T55-M76 WeakPolarHBondContact CG2-SD 3.37Å; T55-M76 WeakPolarHBondContact OG1-CE 3.17Å
56	A	70.9	Confident	72.5	Confident	2 Å²	2	51.8 Å²	51.8	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-52	-46.3	174.3	0	0	0	0	0	110.5	I52 V53 V59 M60 I69 I73 V101	I52-A56 VanDerWaalsContact O-CB 3.24Å; I52-A56 WeakPolarHBondContact O-CB 3.48Å; I52-A56 PolarHBondContact O-N 3.17Å; V53-A56 PolarHBondContact O-N 3.23Å; A56-V59 PolarHBondContact O-N 3.5Å; A56-M60 VanDerWaalsContact C-CE 3.42Å; A56-M60 HydrophobicContact CB-CE 3.67Å; A56-M60 VanDerWaalsContact O-CB 3.31Å; A56-M60 WeakPolarHBondContact O-CB 3.46Å; A56-M60 WeakPolarHBondContact O-CE 3.3Å; A56-M60 VanDerWaalsContact O-CG 3.25Å; A56-M60 WeakPolarHBondContact O-CG 3.28Å; A56-M60 PolarHBondContact O-N 3.08Å; A56-I69 HydrophobicContact CB-CG2 4.29Å; A56-I73 HydrophobicContact CB-CD1 3.98Å; A56-V101 HydrophobicContact CB-CG1 4.2Å
57	R	71.8	Confident	72.1	Confident	47 Å²	47	58.3 Å²	58.3	18%	0.177	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-47.7	175.2	-73.7	176.6	-177.9	172.8	6.7	113	V53 T55 V59 M60 M61 V101 R104 T105 Q106 A107	V53-R57 VanDerWaalsContact O-CG 3.3Å; V53-R57 WeakPolarHBondContact O-CG 3.4Å; V53-R57 PolarHBondContact O-N 3.26Å; T55-R57 PolarHBondContact O-N 3.02Å; R57-V59 VanDerWaalsContact C-N 3.3Å; R57-V59 PolarHBondContact O-N 2.04Å; R57-M60 PolarHBondContact O-N 3.39Å; R57-M61 WeakPolarHBondContact O-CG 3.42Å; R57-M61 PolarHBondContact O-N 2.99Å; R57-V101 HydrophobicContact CG-CG1 4.16Å; R57-V101 PolarHBondContact NE-O 3.44Å; R57-R104 VanDerWaalsContact CZ-O 3.31Å; R57-R104 PolarHBondContact NH2-O 3.33Å; R57-T105 PolarHBondContact NH1-O 3.08Å; R57-Q106 PolarHBondContact NH2-O 3.05Å; R57-A107 VanDerWaalsContact NH1-N 3.19Å
58	K	71.2	Confident	71.6	Confident	141 Å²	141	62.9 Å²	62.9	61%	0.613	31%	0.311	S	S	*	.	H	α-helix	trans	-62.7	-36.4	179.1	-74.8	173.6	-177.5	174.1	0	112.7	N54 T55	N54-K58 WeakPolarHBondContact O-CG 3.24Å; N54-K58 PolarHBondContact O-N 3.36Å; N54-K58 VanDerWaalsContact O-N 3.13Å; T55-K58 PolarHBondContact O-N 2.9Å
59	V	68	Low	71.3	Confident	14 Å²	14	62.7 Å²	62.7	9%	0.085	31%	0.31	C	S	.	.	H	α-helix	trans	-73.6	-45.2	177.7	173.1	0	0	0	0	110.1	T55 A56 R57 M61 K62 S64 I69 I72	T55-V59 HydrophobicContact CG2-CG2 4.06Å; T55-V59 VanDerWaalsContact O-CG2 3.32Å; T55-V59 WeakPolarHBondContact O-CG2 3.14Å; T55-V59 PolarHBondContact O-N 2.99Å; A56-V59 PolarHBondContact O-N 3.5Å; R57-V59 VanDerWaalsContact C-N 3.3Å; R57-V59 PolarHBondContact O-N 2.04Å; V59-M61 VanDerWaalsContact C-N 3.3Å; V59-M61 PolarHBondContact O-N 3.29Å; V59-K62 WeakPolarHBondContact O-CA 3.33Å; V59-K62 WeakPolarHBondContact O-CB 3.05Å; V59-K62 PolarHBondContact O-N 3.14Å; V59-S64 VanDerWaalsContact CG1-CB 3.46Å; V59-S64 WeakPolarHBondContact CG1-OG 3.06Å; V59-S64 WeakPolarHBondContact O-CB 3.29Å; V59-S64 PolarHBondContact O-OG 3.3Å; V59-I69 HydrophobicContact CB-CG1 4.38Å; V59-I69 HydrophobicContact CG1-CG1 3.65Å; V59-I72 HydrophobicContact CB-CD1 4.34Å; V59-I72 HydrophobicContact CG1-CD1 3.61Å; V59-I72 HydrophobicContact CG2-CB 4.49Å; V59-I72 HydrophobicContact CG2-CD1 3.69Å; V59-I72 HydrophobicContact CG2-CG2 3.91Å
60	M	66.9	Low	71	Confident	22 Å²	22	65.3 Å²	65.3	11%	0.108	32%	0.322	C	S	.	.	H	α-helix	trans	-57.4	-39.4	176.5	-80.6	-175	-102.3	0	0	113.3	A56 R57 K62 L63 I69 Y98 V101 F102	A56-M60 VanDerWaalsContact C-CE 3.42Å; A56-M60 HydrophobicContact CB-CE 3.67Å; A56-M60 VanDerWaalsContact O-CB 3.31Å; A56-M60 WeakPolarHBondContact O-CB 3.46Å; A56-M60 WeakPolarHBondContact O-CE 3.3Å; A56-M60 VanDerWaalsContact O-CG 3.25Å; A56-M60 WeakPolarHBondContact O-CG 3.28Å; A56-M60 PolarHBondContact O-N 3.08Å; R57-M60 PolarHBondContact O-N 3.39Å; M60-K62 PolarHBondContact O-N 3.38Å; M60-L63 PolarHBondContact O-N 3.42Å; M60-I69 HydrophobicContact CG-CD1 3.35Å; M60-I69 HydrophobicContact CG-CG1 4.34Å; M60-I69 HydrophobicContact SD-CD1 4.34Å; M60-Y98 HydrophobicContact CE-CE2 4.29Å; M60-Y98 HydrophobicContact CG-CE2 3.86Å; M60-Y98 HydrophobicContact SD-CD2 4.04Å; M60-Y98 HydrophobicContact SD-CE2 3.31Å; M60-Y98 WeakPolarHBondContact SD-CE2 3.29Å; M60-V101 HydrophobicContact CE-CB 4.06Å; M60-V101 HydrophobicContact CE-CG1 3.51Å; M60-F102 HydrophobicContact SD-CD2 4.18Å
61	M	65.8	Low	70.8	Confident	168 Å²	168	65.8 Å²	65.8	83%	0.828	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-17.1	175	-74.1	-177.9	72.8	0	0	113.6	R57 V59	R57-M61 WeakPolarHBondContact O-CG 3.42Å; R57-M61 PolarHBondContact O-N 2.99Å; V59-M61 VanDerWaalsContact C-N 3.3Å; V59-M61 PolarHBondContact O-N 3.29Å
62	K	66.5	Low	70.7	Confident	134 Å²	134	65.5 Å²	65.5	58%	0.583	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	20.5	177.4	-63.1	-176.2	169	-166.7	0	113.7	V59 M60 S64	V59-K62 WeakPolarHBondContact O-CA 3.33Å; V59-K62 WeakPolarHBondContact O-CB 3.05Å; V59-K62 PolarHBondContact O-N 3.14Å; M60-K62 PolarHBondContact O-N 3.38Å; K62-S64 PolarHBondContact O-N 3.29Å
63	L	60.3	Low	70.6	Confident	171 Å²	171	65.4 Å²	65.4	90%	0.895	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	35.8	-178.6	-62.9	165.5	0	0	0	112.8	M60	M60-L63 PolarHBondContact O-N 3.42Å
64	S	64	Low	70.5	Confident	19 Å²	19	69.1 Å²	69.1	13%	0.133	34%	0.344	C	S	.	.			trans	-76.8	143	-179.7	-60.7	0	0	0	0	111.3	V59 K62 M68	V59-S64 VanDerWaalsContact CG1-CB 3.46Å; V59-S64 WeakPolarHBondContact CG1-OG 3.06Å; V59-S64 WeakPolarHBondContact O-CB 3.29Å; V59-S64 PolarHBondContact O-OG 3.3Å; K62-S64 PolarHBondContact O-N 3.29Å; S64-M68 PolarHBondContact OG-SD 2.99Å
65	T	71.3	Confident	70.5	Confident	85 Å²	85	68.4 Å²	68.4	52%	0.521	34%	0.338	S	S	.	.			trans	-68.4	158.2	173.5	61.4	0	0	0	0	110.6	E67 M68 I69	T65-E67 PolarHBondContact O-N 3.1Å; T65-M68 WeakPolarHBondContact O-CB 3.3Å; T65-M68 PolarHBondContact O-N 3.22Å; T65-M68 PolarHBondContact OG1-N 2.96Å; T65-I69 PolarHBondContact O-N 3.24Å
66	I	68.5	Low	70.7	Confident	86 Å²	86	68.3 Å²	68.3	44%	0.441	34%	0.337	S	S	.	.	H	α-helix	trans	-55.5	-39.8	174.3	-63.8	173.1	0	0	0	110.4	M68 I69 H70 V95 Y98	I66-M68 VanDerWaalsContact C-N 3.32Å; I66-M68 PolarHBondContact O-N 2.77Å; I66-I69 WeakPolarHBondContact O-CB 3.01Å; I66-I69 PolarHBondContact O-N 3.02Å; I66-I69 VanDerWaalsContact O-N 3.14Å; I66-H70 PolarHBondContact O-N 3.4Å; I66-V95 HydrophobicContact CG2-CG1 4.19Å; I66-Y98 HydrophobicContact CG1-CD2 4.21Å; I66-Y98 HydrophobicContact CG1-CE2 4.24Å
67	E	69.9	Low	70.9	Confident	156 Å²	156	68.2 Å²	68.2	73%	0.729	34%	0.336	S	S	*	.	H	α-helix	trans	-59.7	-40.3	175.1	-64	179.8	164	0	0	112.8	T65 I69 H70 S71	T65-E67 PolarHBondContact O-N 3.1Å; E67-I69 VanDerWaalsContact C-N 3.34Å; E67-H70 WeakPolarHBondContact O-CB 3.29Å; E67-H70 PolarHBondContact O-N 3.4Å; E67-S71 WeakPolarHBondContact O-CB 3.44Å; E67-S71 PolarHBondContact O-N 3.01Å
68	M	70.4	Confident	71.1	Confident	97 Å²	97	68.8 Å²	68.8	48%	0.478	35%	0.347	S	S	.	.	H	α-helix	trans	-68.4	-36.2	176.4	-173	176.3	-126.1	0	0	111.5	S64 T65 I66 S71 I72	S64-M68 PolarHBondContact OG-SD 2.99Å; T65-M68 WeakPolarHBondContact O-CB 3.3Å; T65-M68 PolarHBondContact O-N 3.22Å; T65-M68 PolarHBondContact OG1-N 2.96Å; I66-M68 VanDerWaalsContact C-N 3.32Å; I66-M68 PolarHBondContact O-N 2.77Å; M68-S71 PolarHBondContact O-N 3.39Å; M68-I72 HydrophobicContact CG-CD1 3.91Å; M68-I72 WeakPolarHBondContact O-CB 3.37Å; M68-I72 WeakPolarHBondContact O-CD1 3.37Å; M68-I72 VanDerWaalsContact O-CG1 3.26Å; M68-I72 WeakPolarHBondContact O-CG1 3.18Å; M68-I72 PolarHBondContact O-N 3.41Å
69	I	70.1	Confident	71.3	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-65.3	-46.2	174.7	-66.3	163.4	0	0	0	110.5	A56 V59 M60 T65 I66 E67 I72 I73 V95 Y98	A56-I69 HydrophobicContact CB-CG2 4.29Å; V59-I69 HydrophobicContact CB-CG1 4.38Å; V59-I69 HydrophobicContact CG1-CG1 3.65Å; M60-I69 HydrophobicContact CG-CD1 3.35Å; M60-I69 HydrophobicContact CG-CG1 4.34Å; M60-I69 HydrophobicContact SD-CD1 4.34Å; T65-I69 PolarHBondContact O-N 3.24Å; I66-I69 WeakPolarHBondContact O-CB 3.01Å; I66-I69 PolarHBondContact O-N 3.02Å; I66-I69 VanDerWaalsContact O-N 3.14Å; E67-I69 VanDerWaalsContact C-N 3.34Å; I69-I72 PolarHBondContact O-N 3.07Å; I69-I73 HydrophobicContact CG2-CD1 3.47Å; I69-I73 VanDerWaalsContact CG2-CD1 3.47Å; I69-I73 HydrophobicContact CG2-CG1 4.44Å; I69-I73 WeakPolarHBondContact O-CB 3.34Å; I69-I73 WeakPolarHBondContact O-CD1 3.4Å; I69-I73 VanDerWaalsContact O-CG1 3.32Å; I69-I73 WeakPolarHBondContact O-CG1 3.33Å; I69-I73 PolarHBondContact O-N 3.24Å; I69-V95 HydrophobicContact CG2-CG1 4.09Å; I69-V95 HydrophobicContact CG2-CG2 4.2Å; I69-Y98 HydrophobicContact CD1-CD2 4.27Å; I69-Y98 HydrophobicContact CD1-CE2 3.67Å
70	H	71.7	Confident	71.4	Confident	55 Å²	55	66.3 Å²	66.3	26%	0.255	34%	0.342	S	S	.	.	H	α-helix	trans	-52	-61.6	170.4	-85.8	162.6	0	0	0	109.8	I66 E67 I72 I73 Y74 V95	I66-H70 PolarHBondContact O-N 3.4Å; E67-H70 WeakPolarHBondContact O-CB 3.29Å; E67-H70 PolarHBondContact O-N 3.4Å; H70-I72 VanDerWaalsContact C-N 3.25Å; H70-I72 PolarHBondContact O-N 3.23Å; H70-I72 VanDerWaalsContact O-N 3.13Å; H70-I73 PolarHBondContact O-N 3.46Å; H70-Y74 HydrophobicContact CB-CD2 4.22Å; H70-Y74 HydrophobicContact CB-CE2 4.37Å; H70-Y74 AromaticContact CD2-CE2 3.82Å; H70-Y74 WeakPolarHBondContact O-CD2 3.23Å; H70-Y74 PolarHBondContact O-N 3.32Å; H70-V95 WeakPolarHBondContact CD2-CB 3.41Å; H70-V95 WeakPolarHBondContact CD2-CG1 3.47Å; H70-V95 VanDerWaalsContact NE2-CB 3.33Å; H70-V95 WeakPolarHBondContact NE2-CB 3.43Å; H70-V95 WeakPolarHBondContact NE2-CG1 3.3Å
71	S	75.8	Confident	71.7	Confident	61 Å²	61	73.8 Å²	73.8	43%	0.427	38%	0.376	S	S	.	.	H	α-helix	trans	-51.8	-45.6	-176	176	0	0	0	0	112	E67 M68 E75	E67-S71 WeakPolarHBondContact O-CB 3.44Å; E67-S71 PolarHBondContact O-N 3.01Å; M68-S71 PolarHBondContact O-N 3.39Å; S71-E75 WeakPolarHBondContact O-CB 3.37Å; S71-E75 VanDerWaalsContact O-CG 3.3Å; S71-E75 WeakPolarHBondContact O-CG 3.42Å; S71-E75 PolarHBondContact O-N 3.47Å
72	I	76	Confident	72.1	Confident	15 Å²	15	72.9 Å²	72.9	8%	0.077	37%	0.37	C	S	.	.	H	α-helix	trans	-64.9	-44.8	179.6	-71.4	167	0	0	0	112.4	W14 T55 V59 M68 I69 H70 E75 M76	W14-I72 HydrophobicContact CZ2-CB 4.22Å; W14-I72 HydrophobicContact CZ2-CG1 3.79Å; W14-I72 HydrophobicContact CZ2-CG2 3.99Å; T55-I72 HydrophobicContact CG2-CG2 3.99Å; V59-I72 HydrophobicContact CB-CD1 4.34Å; V59-I72 HydrophobicContact CG1-CD1 3.61Å; V59-I72 HydrophobicContact CG2-CB 4.49Å; V59-I72 HydrophobicContact CG2-CD1 3.69Å; V59-I72 HydrophobicContact CG2-CG2 3.91Å; M68-I72 HydrophobicContact CG-CD1 3.91Å; M68-I72 WeakPolarHBondContact O-CB 3.37Å; M68-I72 WeakPolarHBondContact O-CD1 3.37Å; M68-I72 VanDerWaalsContact O-CG1 3.26Å; M68-I72 WeakPolarHBondContact O-CG1 3.18Å; M68-I72 PolarHBondContact O-N 3.41Å; I69-I72 PolarHBondContact O-N 3.07Å; H70-I72 VanDerWaalsContact C-N 3.25Å; H70-I72 PolarHBondContact O-N 3.23Å; H70-I72 VanDerWaalsContact O-N 3.13Å; I72-E75 PolarHBondContact O-N 2.85Å; I72-M76 WeakPolarHBondContact O-CG 3.36Å; I72-M76 PolarHBondContact O-N 2.97Å
73	I	74.8	Confident	72.4	Confident	1 Å²	1	70 Å²	70	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-70.1	-44.8	-177.4	-69.4	164.2	0	0	0	110.7	I52 A56 I69 H70 E75 M76 C77 A91 V95	I52-I73 HydrophobicContact CB-CG2 4.48Å; I52-I73 HydrophobicContact CD1-CG2 4.37Å; I52-I73 HydrophobicContact CG1-CG2 4.05Å; I52-I73 HydrophobicContact CG2-CD1 3.87Å; I52-I73 HydrophobicContact CG2-CG1 4.17Å; I52-I73 HydrophobicContact CG2-CG2 3.68Å; A56-I73 HydrophobicContact CB-CD1 3.98Å; I69-I73 HydrophobicContact CG2-CD1 3.47Å; I69-I73 VanDerWaalsContact CG2-CD1 3.47Å; I69-I73 HydrophobicContact CG2-CG1 4.44Å; I69-I73 WeakPolarHBondContact O-CB 3.34Å; I69-I73 WeakPolarHBondContact O-CD1 3.4Å; I69-I73 VanDerWaalsContact O-CG1 3.32Å; I69-I73 WeakPolarHBondContact O-CG1 3.33Å; I69-I73 PolarHBondContact O-N 3.24Å; H70-I73 PolarHBondContact O-N 3.46Å; I73-E75 VanDerWaalsContact C-N 3.26Å; I73-E75 PolarHBondContact O-N 2.85Å; I73-M76 WeakPolarHBondContact O-CA 3.49Å; I73-M76 WeakPolarHBondContact O-CB 3.36Å; I73-M76 PolarHBondContact O-N 3.34Å; I73-C77 PolarHBondContact O-N 3.17Å; I73-C77 VanDerWaalsContact O-N 3.08Å; I73-C77 PolarHBondContact O-SG 3.37Å; I73-A91 HydrophobicContact CG2-CB 3.37Å; I73-V95 HydrophobicContact CD1-CG2 3.3Å
74	Y	78.5	Confident	73.1	Confident	78 Å²	78	63.2 Å²	63.2	31%	0.306	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-40	175.8	-81.5	-92.7	0	0	0	110.6	H70 M76 C77 S78 Y88	H70-Y74 HydrophobicContact CB-CD2 4.22Å; H70-Y74 HydrophobicContact CB-CE2 4.37Å; H70-Y74 AromaticContact CD2-CE2 3.82Å; H70-Y74 WeakPolarHBondContact O-CD2 3.23Å; H70-Y74 PolarHBondContact O-N 3.32Å; Y74-M76 VanDerWaalsContact C-N 3.25Å; Y74-M76 PolarHBondContact O-N 2.02Å; Y74-C77 PolarHBondContact O-N 3.17Å; Y74-C77 VanDerWaalsContact O-N 3.14Å; Y74-S78 PolarHBondContact O-N 3.23Å; Y74-S78 VanDerWaalsContact O-N 3.08Å; Y74-Y88 AromaticContact CD1-CD1 3.18Å; Y74-Y88 HydrophobicContact CD1-CD1 3.18Å; Y74-Y88 AromaticContact CD1-CE1 3.26Å; Y74-Y88 HydrophobicContact CD1-CE1 3.26Å; Y74-Y88 HydrophobicContact CD1-CG 4.19Å; Y74-Y88 AromaticContact CE1-CD1 3.61Å; Y74-Y88 HydrophobicContact CE1-CD1 3.61Å; Y74-Y88 HydrophobicContact CE1-CE1 4.13Å; Y74-Y88 HydrophobicContact CE1-CG 4.27Å; Y74-Y88 HydrophobicContact CG-CD1 4.06Å; Y74-Y88 AromaticContact CG-CE1 3.95Å; Y74-Y88 HydrophobicContact CG-CE1 3.95Å; Y74-Y88 VanDerWaalsContact O-CE1 3.3Å; Y74-Y88 WeakPolarHBondContact O-CE1 3Å
75	E	77.8	Confident	73.8	Confident	57 Å²	57	69 Å²	69	27%	0.266	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-25.5	172.7	-89.4	-157.9	-134.6	0	0	114	W14 R18 S71 I72 I73 S78	W14-E75 HydrophobicContact CH2-CB 4.1Å; W14-E75 WeakPolarHBondContact CH2-OE2 3.44Å; W14-E75 VanDerWaalsContact CZ3-OE2 3.25Å; W14-E75 WeakPolarHBondContact CZ3-OE2 3.36Å; R18-E75 IonicContact CZ-OE2 3.21Å; R18-E75 IonicContact NH1-OE2 2.7Å; R18-E75 PolarHBondContact NH1-OE2 3.2Å; R18-E75 VanDerWaalsContact NH2-CB 3.26Å; R18-E75 PolarHBondContact NH2-O 3.33Å; R18-E75 IonicContact NH2-OE2 2.93Å; R18-E75 PolarHBondContact NH2-OE2 3.4Å; S71-E75 WeakPolarHBondContact O-CB 3.37Å; S71-E75 VanDerWaalsContact O-CG 3.3Å; S71-E75 WeakPolarHBondContact O-CG 3.42Å; S71-E75 PolarHBondContact O-N 3.47Å; I72-E75 PolarHBondContact O-N 2.85Å; I73-E75 VanDerWaalsContact C-N 3.26Å; I73-E75 PolarHBondContact O-N 2.85Å; E75-S78 PolarHBondContact O-OG 3.36Å
76	M	74.4	Confident	74	Confident	24 Å²	24	67.9 Å²	67.9	12%	0.118	34%	0.34	C	S	.	.	H	α-helix	trans	-74.1	-39	171.2	-71.1	177.3	72.6	0	0	111.7	M25 I51 T55 I72 I73 Y74 S78 V79	M25-M76 HydrophobicContact CE-CE 4.34Å; M25-M76 HydrophobicContact SD-CE 3.56Å; M25-M76 VanDerWaalsContact SD-CE 3.56Å; I51-M76 HydrophobicContact CG2-CE 3.57Å; T55-M76 HydrophobicContact CG2-CE 4.46Å; T55-M76 HydrophobicContact CG2-SD 3.48Å; T55-M76 WeakPolarHBondContact CG2-SD 3.37Å; T55-M76 WeakPolarHBondContact OG1-CE 3.17Å; I72-M76 WeakPolarHBondContact O-CG 3.36Å; I72-M76 PolarHBondContact O-N 2.97Å; I73-M76 WeakPolarHBondContact O-CA 3.49Å; I73-M76 WeakPolarHBondContact O-CB 3.36Å; I73-M76 PolarHBondContact O-N 3.34Å; Y74-M76 VanDerWaalsContact C-N 3.25Å; Y74-M76 PolarHBondContact O-N 2.02Å; M76-S78 VanDerWaalsContact C-N 3.3Å; M76-S78 PolarHBondContact O-N 3.26Å; M76-V79 PolarHBondContact O-N 3.45Å
77	C	74.2	Confident	74.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.4	-33.1	178.4	-65.4	0	0	0	0	112.7	I73 Y74 V79 I80 T84 C87 Y88	I73-C77 PolarHBondContact O-N 3.17Å; I73-C77 VanDerWaalsContact O-N 3.08Å; I73-C77 PolarHBondContact O-SG 3.37Å; Y74-C77 PolarHBondContact O-N 3.17Å; Y74-C77 VanDerWaalsContact O-N 3.14Å; C77-V79 PolarHBondContact O-N 2.84Å; C77-I80 PolarHBondContact O-N 3.38Å; C77-I80 VanDerWaalsContact O-N 3.17Å; C77-T84 PolarHBondContact O-OG1 3.42Å; C77-C87 WeakPolarHBondContact CA-SG 3.45Å; C77-C87 HydrophobicContact CB-CB 3.5Å; C77-C87 VanDerWaalsContact CB-CB 3.5Å; C77-C87 WeakPolarHBondContact CB-SG 3.3Å; C77-C87 WeakPolarHBondContact SG-CB 3.36Å; C77-C87 PolarHBondContact SG-O 3.16Å; C77-C87 CovalentContact SG-SG 2.04Å; C77-C87 PolarHBondContact SG-SG 3.33Å; C77-Y88 HydrophobicContact CB-CD1 3.48Å; C77-Y88 VanDerWaalsContact CB-CD1 3.48Å; C77-Y88 HydrophobicContact CB-CE1 3.42Å; C77-Y88 VanDerWaalsContact CB-CE1 3.42Å; C77-Y88 HydrophobicContact CB-CG 4.17Å
78	S	77.2	Confident	74.8	Confident	58 Å²	58	59.8 Å²	59.8	41%	0.406	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.2	177.1	70.2	0	0	0	0	114.6	Y74 E75 M76 I80	Y74-S78 PolarHBondContact O-N 3.23Å; Y74-S78 VanDerWaalsContact O-N 3.08Å; E75-S78 PolarHBondContact O-OG 3.36Å; M76-S78 VanDerWaalsContact C-N 3.3Å; M76-S78 PolarHBondContact O-N 3.26Å; S78-I80 VanDerWaalsContact C-N 3.28Å
79	V	74.5	Confident	75.3	Confident	69 Å²	69	58.5 Å²	58.5	42%	0.418	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-18.8	176.9	-178.3	0	0	0	0	111.6	T22 M76 C77 E81	T22-V79 HydrophobicContact CG2-CG1 3.74Å; M76-V79 PolarHBondContact O-N 3.45Å; C77-V79 PolarHBondContact O-N 2.84Å; V79-E81 PolarHBondContact O-N 3.07Å
80	I	71.8	Confident	75.6	Confident	34 Å²	34	58.4 Å²	58.4	17%	0.174	29%	0.292	C	S	.	.			trans	-105.1	75.2	-172.3	-48	168.3	0	0	0	108	M25 F48 C77 S78 E82 Y83 T84	M25-I80 HydrophobicContact CE-CD1 3.31Å; M25-I80 HydrophobicContact CE-CG1 4.24Å; F48-I80 HydrophobicContact CD1-CD1 4.03Å; F48-I80 HydrophobicContact CE1-CD1 3.27Å; F48-I80 HydrophobicContact CZ-CD1 3.9Å; F48-I80 HydrophobicContact CZ-CG2 4.15Å; C77-I80 PolarHBondContact O-N 3.38Å; C77-I80 VanDerWaalsContact O-N 3.17Å; S78-I80 VanDerWaalsContact C-N 3.28Å; I80-E82 PolarHBondContact O-N 3.04Å; I80-E82 VanDerWaalsContact O-N 3.11Å; I80-Y83 HydrophobicContact CG2-CD2 3.92Å; I80-Y83 HydrophobicContact CG2-CG 4.38Å; I80-Y83 CarbonylContact O-C 3.46Å; I80-Y83 PolarHBondContact O-N 3.3Å; I80-T84 VanDerWaalsContact C-OG1 3.31Å; I80-T84 WeakPolarHBondContact O-CA 3.1Å; I80-T84 WeakPolarHBondContact O-CB 3.34Å; I80-T84 PolarHBondContact O-N 2.87Å; I80-T84 PolarHBondContact O-OG1 3.11Å
81	E	71.8	Confident	75.8	Confident	179 Å²	179	55.8 Å²	55.8	84%	0.836	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-50.7	-41.2	-172.8	-67.4	-177.6	173.8	0	0	112.8	V79 Y83 T84	V79-E81 PolarHBondContact O-N 3.07Å; E81-Y83 PolarHBondContact O-N 3.28Å; E81-T84 WeakPolarHBondContact CA-OG1 3.42Å; E81-T84 PolarHBondContact O-OG1 3.49Å
82	E	75.1	Confident	76	Confident	150 Å²	150	54.8 Å²	54.8	70%	0.701	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-70.1	-31	-177.6	-168.5	-177.7	167.8	0	0	113.9	I80	I80-E82 PolarHBondContact O-N 3.04Å; I80-E82 VanDerWaalsContact O-N 3.11Å
83	Y	72.2	Confident	75.9	Confident	72 Å²	72	57.8 Å²	57.8	28%	0.282	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-124.8	24.6	-173.5	-56.5	-79.4	0	0	0	112.5	I44 F48 I80 E81 L85 E86 C87	I44-Y83 HydrophobicContact CD1-CD1 4.45Å; I44-Y83 HydrophobicContact CD1-CE1 3.82Å; I44-Y83 HydrophobicContact CG2-CD1 4.3Å; F48-Y83 HydrophobicContact CE2-CG 4.21Å; F48-Y83 HydrophobicContact CZ-CD2 4.47Å; F48-Y83 HydrophobicContact CZ-CG 4.2Å; I80-Y83 HydrophobicContact CG2-CD2 3.92Å; I80-Y83 HydrophobicContact CG2-CG 4.38Å; I80-Y83 CarbonylContact O-C 3.46Å; I80-Y83 PolarHBondContact O-N 3.3Å; E81-Y83 PolarHBondContact O-N 3.28Å; Y83-L85 VanDerWaalsContact C-N 3.26Å; Y83-L85 PolarHBondContact O-N 2.96Å; Y83-E86 WeakPolarHBondContact CA-OE2 3.25Å; Y83-E86 PolarHBondContact O-N 3.44Å; Y83-C87 WeakPolarHBondContact O-CB 3.26Å; Y83-C87 PolarHBondContact O-N 2.64Å
84	T	75.3	Confident	75.7	Confident	30 Å²	30	57.8 Å²	57.8	18%	0.184	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-41.5	-174.6	-68.2	0	0	0	0	110.5	C77 I80 E81 C87 Y88	C77-T84 PolarHBondContact O-OG1 3.42Å; I80-T84 VanDerWaalsContact C-OG1 3.31Å; I80-T84 WeakPolarHBondContact O-CA 3.1Å; I80-T84 WeakPolarHBondContact O-CB 3.34Å; I80-T84 PolarHBondContact O-N 2.87Å; I80-T84 PolarHBondContact O-OG1 3.11Å; E81-T84 WeakPolarHBondContact CA-OG1 3.42Å; E81-T84 PolarHBondContact O-OG1 3.49Å; T84-C87 PolarHBondContact O-N 3.04Å; T84-Y88 HydrophobicContact CG2-CD2 3.6Å; T84-Y88 HydrophobicContact CG2-CE2 3.14Å; T84-Y88 WeakPolarHBondContact O-CD2 3.39Å; T84-Y88 PolarHBondContact O-N 2.93Å
85	L	79	Confident	75.3	Confident	139 Å²	139	54.4 Å²	54.4	73%	0.728	27%	0.274	S	S	*	.	H	α-helix	trans	-68.3	-45.9	-178.9	-66.7	176.4	0	0	0	111.9	Y83 C87 Y88 D89	Y83-L85 VanDerWaalsContact C-N 3.26Å; Y83-L85 PolarHBondContact O-N 2.96Å; L85-C87 VanDerWaalsContact C-N 3.3Å; L85-C87 PolarHBondContact O-N 3.23Å; L85-Y88 PolarHBondContact O-N 3.38Å; L85-D89 PolarHBondContact O-N 3.5Å
86	E	75.9	Confident	74.8	Confident	63 Å²	63	57.2 Å²	57.2	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-40.3	176.8	-69.9	78	-177.6	0	0	111.2	Y83 D89 V90	Y83-E86 WeakPolarHBondContact CA-OE2 3.25Å; Y83-E86 PolarHBondContact O-N 3.44Å; E86-D89 PolarHBondContact O-N 3.32Å; E86-V90 VanDerWaalsContact O-CG2 3.25Å; E86-V90 WeakPolarHBondContact O-CG2 3.33Å; E86-V90 PolarHBondContact O-N 3.48Å; E86-V90 VanDerWaalsContact O-N 3.15Å
87	C	74.7	Confident	74.5	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-42.4	176	-173.6	0	0	0	0	111.2	C77 Y83 T84 L85 V90 A91	C77-C87 WeakPolarHBondContact CA-SG 3.45Å; C77-C87 HydrophobicContact CB-CB 3.5Å; C77-C87 VanDerWaalsContact CB-CB 3.5Å; C77-C87 WeakPolarHBondContact CB-SG 3.3Å; C77-C87 WeakPolarHBondContact SG-CB 3.36Å; C77-C87 PolarHBondContact SG-O 3.16Å; C77-C87 CovalentContact SG-SG 2.04Å; C77-C87 PolarHBondContact SG-SG 3.33Å; Y83-C87 WeakPolarHBondContact O-CB 3.26Å; Y83-C87 PolarHBondContact O-N 2.64Å; T84-C87 PolarHBondContact O-N 3.04Å; L85-C87 VanDerWaalsContact C-N 3.3Å; L85-C87 PolarHBondContact O-N 3.23Å; C87-V90 PolarHBondContact O-N 3.33Å; C87-A91 WeakPolarHBondContact O-CB 3.28Å; C87-A91 PolarHBondContact O-N 3.36Å
88	Y	80.7	Confident	74	Confident	71 Å²	71	61 Å²	61	28%	0.278	31%	0.309	S	S	.	.	H	α-helix	trans	-65.1	-39.5	177.5	-74.2	-40.6	0	0	0	113.5	Y74 C77 T84 L85 V90 A91 S92	Y74-Y88 AromaticContact CD1-CD1 3.18Å; Y74-Y88 HydrophobicContact CD1-CD1 3.18Å; Y74-Y88 AromaticContact CD1-CE1 3.26Å; Y74-Y88 HydrophobicContact CD1-CE1 3.26Å; Y74-Y88 HydrophobicContact CD1-CG 4.19Å; Y74-Y88 AromaticContact CE1-CD1 3.61Å; Y74-Y88 HydrophobicContact CE1-CD1 3.61Å; Y74-Y88 HydrophobicContact CE1-CE1 4.13Å; Y74-Y88 HydrophobicContact CE1-CG 4.27Å; Y74-Y88 HydrophobicContact CG-CD1 4.06Å; Y74-Y88 AromaticContact CG-CE1 3.95Å; Y74-Y88 HydrophobicContact CG-CE1 3.95Å; Y74-Y88 VanDerWaalsContact O-CE1 3.3Å; Y74-Y88 WeakPolarHBondContact O-CE1 3Å; C77-Y88 HydrophobicContact CB-CD1 3.48Å; C77-Y88 VanDerWaalsContact CB-CD1 3.48Å; C77-Y88 HydrophobicContact CB-CE1 3.42Å; C77-Y88 VanDerWaalsContact CB-CE1 3.42Å; C77-Y88 HydrophobicContact CB-CG 4.17Å; T84-Y88 HydrophobicContact CG2-CD2 3.6Å; T84-Y88 HydrophobicContact CG2-CE2 3.14Å; T84-Y88 WeakPolarHBondContact O-CD2 3.39Å; T84-Y88 PolarHBondContact O-N 2.93Å; L85-Y88 PolarHBondContact O-N 3.38Å; Y88-V90 VanDerWaalsContact C-N 3.35Å; Y88-A91 PolarHBondContact O-N 2.96Å; Y88-S92 PolarHBondContact O-N 2.8Å
89	D	80.7	Confident	73.1	Confident	70 Å²	70	65.1 Å²	65.1	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-58.7	-48.2	174.8	179.3	39.8	0	0	0	110.9	K45 L85 E86 Q93	K45-D89 IonicContact NZ-OD2 3.67Å; L85-D89 PolarHBondContact O-N 3.5Å; E86-D89 PolarHBondContact O-N 3.32Å; D89-Q93 WeakPolarHBondContact O-CG 2.92Å; D89-Q93 PolarHBondContact O-N 3.39Å; D89-Q93 PolarHBondContact OD1-NE2 3.47Å
90	V	75.7	Confident	72.3	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.2	-42.3	177.2	175.1	0	0	0	0	111.3	K45 F48 C49 I52 E86 C87 Y88 Q93 I94 F116	K45-V90 HydrophobicContact CB-CG2 4.34Å; K45-V90 HydrophobicContact CG-CG2 4.19Å; F48-V90 HydrophobicContact CB-CG1 4.43Å; C49-V90 HydrophobicContact CB-CG1 3.92Å; I52-V90 HydrophobicContact CD1-CB 4.13Å; I52-V90 HydrophobicContact CD1-CG1 3.66Å; E86-V90 VanDerWaalsContact O-CG2 3.25Å; E86-V90 WeakPolarHBondContact O-CG2 3.33Å; E86-V90 PolarHBondContact O-N 3.48Å; E86-V90 VanDerWaalsContact O-N 3.15Å; C87-V90 PolarHBondContact O-N 3.33Å; Y88-V90 VanDerWaalsContact C-N 3.35Å; V90-Q93 PolarHBondContact O-N 3.1Å; V90-I94 HydrophobicContact CG1-CD1 3.5Å; V90-I94 HydrophobicContact CG1-CG1 4.41Å; V90-I94 WeakPolarHBondContact O-CD1 3.48Å; V90-I94 VanDerWaalsContact O-CG1 3.26Å; V90-I94 WeakPolarHBondContact O-CG1 3.22Å; V90-I94 PolarHBondContact O-N 2.73Å; V90-I94 VanDerWaalsContact O-N 3.1Å; V90-F116 HydrophobicContact CB-CE2 4.21Å; V90-F116 HydrophobicContact CB-CZ 4.19Å; V90-F116 HydrophobicContact CG1-CD2 3.88Å; V90-F116 HydrophobicContact CG1-CE2 3.77Å; V90-F116 HydrophobicContact CG1-CG 4.49Å; V90-F116 HydrophobicContact CG1-CZ 4.24Å; V90-F116 HydrophobicContact CG2-CD1 4.13Å; V90-F116 HydrophobicContact CG2-CD2 4.47Å; V90-F116 HydrophobicContact CG2-CE1 3.9Å; V90-F116 HydrophobicContact CG2-CE2 4.28Å; V90-F116 HydrophobicContact CG2-CG 4.43Å; V90-F116 HydrophobicContact CG2-CZ 3.98Å
91	A	76.8	Confident	71.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-49.1	179.7	0	0	0	0	0	112.4	I52 I73 C87 Y88 Q93 I94 V95	I52-A91 HydrophobicContact CD1-CB 4.16Å; I73-A91 HydrophobicContact CG2-CB 3.37Å; C87-A91 WeakPolarHBondContact O-CB 3.28Å; C87-A91 PolarHBondContact O-N 3.36Å; Y88-A91 PolarHBondContact O-N 2.96Å; A91-Q93 VanDerWaalsContact C-N 3.33Å; A91-Q93 PolarHBondContact O-N 2.92Å; A91-I94 PolarHBondContact O-N 3.15Å; A91-V95 WeakPolarHBondContact O-CG2 3.42Å; A91-V95 PolarHBondContact O-N 3.47Å
92	S	79.4	Confident	71.2	Confident	40 Å²	40	61.4 Å²	61.4	28%	0.28	30%	0.303	S	S	.	.	H	α-helix	trans	-56.3	-50.7	179.6	-166.8	0	0	0	0	110.3	Y88 I94 V95 D96	Y88-S92 PolarHBondContact O-N 2.8Å; S92-I94 VanDerWaalsContact C-N 3.33Å; S92-I94 PolarHBondContact O-N 3.38Å; S92-V95 PolarHBondContact O-N 3.21Å; S92-D96 VanDerWaalsContact O-CB 3.3Å; S92-D96 WeakPolarHBondContact O-CB 3.49Å; S92-D96 PolarHBondContact O-N 2.85Å; S92-D96 VanDerWaalsContact O-OD2 3.1Å; S92-D96 PolarHBondContact OG-OD2 3.25Å
93	Q	73.9	Confident	70.4	Confident	77 Å²	77	61 Å²	61	36%	0.36	31%	0.305	S	S	.	.	H	α-helix	trans	-63.8	-36.9	-177.2	-67	-177.7	54	0	0	112.8	D89 V90 A91 S97 F116	D89-Q93 WeakPolarHBondContact O-CG 2.92Å; D89-Q93 PolarHBondContact O-N 3.39Å; D89-Q93 PolarHBondContact OD1-NE2 3.47Å; V90-Q93 PolarHBondContact O-N 3.1Å; A91-Q93 VanDerWaalsContact C-N 3.33Å; A91-Q93 PolarHBondContact O-N 2.92Å; Q93-S97 WeakPolarHBondContact O-CB 3.03Å; Q93-S97 PolarHBondContact O-N 2.78Å; Q93-S97 VanDerWaalsContact O-N 3.1Å; Q93-S97 PolarHBondContact O-OG 3.49Å; Q93-F116 HydrophobicContact CB-CE2 4.16Å; Q93-F116 HydrophobicContact CB-CZ 3.92Å; Q93-F116 VanDerWaalsContact CD-CZ 3.5Å; Q93-F116 HydrophobicContact CG-CZ 4.24Å
94	I	70.4	Confident	69.7	Low	2 Å²	2	63.3 Å²	63.3	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-73.4	-42.8	-179.6	-68.2	166.9	0	0	0	111.6	C49 I52 V53 V90 A91 S92 S97 Y98 V101 F116	C49-I94 HydrophobicContact CB-CD1 4Å; C49-I94 VanDerWaalsContact SG-CD1 3.57Å; I52-I94 HydrophobicContact CB-CD1 3.83Å; I52-I94 HydrophobicContact CD1-CD1 4.39Å; I52-I94 HydrophobicContact CG2-CB 4.07Å; I52-I94 HydrophobicContact CG2-CD1 3.66Å; I52-I94 HydrophobicContact CG2-CG1 4.49Å; I52-I94 HydrophobicContact CG2-CG2 3.88Å; V53-I94 HydrophobicContact CG2-CD1 4.18Å; V53-I94 HydrophobicContact CG2-CG2 4.01Å; V90-I94 HydrophobicContact CG1-CD1 3.5Å; V90-I94 HydrophobicContact CG1-CG1 4.41Å; V90-I94 WeakPolarHBondContact O-CD1 3.48Å; V90-I94 VanDerWaalsContact O-CG1 3.26Å; V90-I94 WeakPolarHBondContact O-CG1 3.22Å; V90-I94 PolarHBondContact O-N 2.73Å; V90-I94 VanDerWaalsContact O-N 3.1Å; A91-I94 PolarHBondContact O-N 3.15Å; S92-I94 VanDerWaalsContact C-N 3.33Å; S92-I94 PolarHBondContact O-N 3.38Å; I94-S97 CarbonylContact O-C 3.22Å; I94-S97 WeakPolarHBondContact O-CA 3.35Å; I94-S97 PolarHBondContact O-N 3.4Å; I94-Y98 PolarHBondContact O-N 2.92Å; I94-V101 HydrophobicContact CG2-CG2 3.56Å; I94-F116 HydrophobicContact CD1-CE2 4.41Å; I94-F116 HydrophobicContact CG1-CE2 4.16Å
95	V	69.6	Low	69	Low	6 Å²	6	67.9 Å²	67.9	4%	0.036	34%	0.342	C	S	.	.	H	α-helix	trans	-75.5	-36.5	-177.4	-170.4	0	0	0	0	111.5	I66 I69 H70 I73 A91 S92 S97 Y98	I66-V95 HydrophobicContact CG2-CG1 4.19Å; I69-V95 HydrophobicContact CG2-CG1 4.09Å; I69-V95 HydrophobicContact CG2-CG2 4.2Å; H70-V95 WeakPolarHBondContact CD2-CB 3.41Å; H70-V95 WeakPolarHBondContact CD2-CG1 3.47Å; H70-V95 VanDerWaalsContact NE2-CB 3.33Å; H70-V95 WeakPolarHBondContact NE2-CB 3.43Å; H70-V95 WeakPolarHBondContact NE2-CG1 3.3Å; I73-V95 HydrophobicContact CD1-CG2 3.3Å; A91-V95 WeakPolarHBondContact O-CG2 3.42Å; A91-V95 PolarHBondContact O-N 3.47Å; S92-V95 PolarHBondContact O-N 3.21Å; V95-S97 PolarHBondContact O-N 3.14Å; V95-Y98 WeakPolarHBondContact O-CB 3.08Å; V95-Y98 PolarHBondContact O-N 3.38Å
96	D	68.5	Low	68.6	Low	116 Å²	116	67 Å²	67	62%	0.62	33%	0.334	S	S	*	.	H	α-helix	trans	-60.5	-33	168.8	-68.6	-29.5	0	0	0	110.8	S92 Y98	S92-D96 VanDerWaalsContact O-CB 3.3Å; S92-D96 WeakPolarHBondContact O-CB 3.49Å; S92-D96 PolarHBondContact O-N 2.85Å; S92-D96 VanDerWaalsContact O-OD2 3.1Å; S92-D96 PolarHBondContact OG-OD2 3.25Å; D96-Y98 PolarHBondContact O-N 3.33Å
97	S	67.1	Low	68.3	Low	33 Å²	33	64.4 Å²	64.4	23%	0.231	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	27.8	173.2	-60.9	0	0	0	0	114	Q93 I94 V95 L99 I100 V101	Q93-S97 WeakPolarHBondContact O-CB 3.03Å; Q93-S97 PolarHBondContact O-N 2.78Å; Q93-S97 VanDerWaalsContact O-N 3.1Å; Q93-S97 PolarHBondContact O-OG 3.49Å; I94-S97 CarbonylContact O-C 3.22Å; I94-S97 WeakPolarHBondContact O-CA 3.35Å; I94-S97 PolarHBondContact O-N 3.4Å; V95-S97 PolarHBondContact O-N 3.14Å; S97-L99 PolarHBondContact O-N 3.21Å; S97-I100 WeakPolarHBondContact O-CA 3.38Å; S97-I100 VanDerWaalsContact O-CB 3.3Å; S97-I100 WeakPolarHBondContact O-CB 3.33Å; S97-I100 PolarHBondContact O-N 3.24Å; S97-V101 PolarHBondContact O-N 3.45Å
98	Y	63.7	Low	68.2	Low	70 Å²	70	68 Å²	68	28%	0.275	34%	0.342	S	S	.	.	H	α-helix	trans	-41.3	-44.2	-177.7	179.4	-95.9	0	0	0	114.2	M60 I66 I69 I94 V95 D96 I100 V101 F102	M60-Y98 HydrophobicContact CE-CE2 4.29Å; M60-Y98 HydrophobicContact CG-CE2 3.86Å; M60-Y98 HydrophobicContact SD-CD2 4.04Å; M60-Y98 HydrophobicContact SD-CE2 3.31Å; M60-Y98 WeakPolarHBondContact SD-CE2 3.29Å; I66-Y98 HydrophobicContact CG1-CD2 4.21Å; I66-Y98 HydrophobicContact CG1-CE2 4.24Å; I69-Y98 HydrophobicContact CD1-CD2 4.27Å; I69-Y98 HydrophobicContact CD1-CE2 3.67Å; I94-Y98 PolarHBondContact O-N 2.92Å; V95-Y98 WeakPolarHBondContact O-CB 3.08Å; V95-Y98 PolarHBondContact O-N 3.38Å; D96-Y98 PolarHBondContact O-N 3.33Å; Y98-I100 VanDerWaalsContact C-N 3.28Å; Y98-I100 PolarHBondContact O-N 2.93Å; Y98-V101 PolarHBondContact O-N 2.03Å; Y98-F102 PolarHBondContact O-N 3.08Å
99	L	57.6	Low	67.9	Low	146 Å²	146	67.3 Å²	67.3	76%	0.764	34%	0.343	S	S	*	.	H	α-helix	trans	-61.8	-33.5	179	-69.8	172.8	0	0	0	113.2	S97 N103	S97-L99 PolarHBondContact O-N 3.21Å; L99-N103 PolarHBondContact O-N 3.14Å
100	I	59.3	Low	67.5	Low	51 Å²	51	64 Å²	64	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-72.1	-37.7	179.7	-51.9	-171.9	0	0	0	110.6	S97 Y98 F102 T110	S97-I100 WeakPolarHBondContact O-CA 3.38Å; S97-I100 VanDerWaalsContact O-CB 3.3Å; S97-I100 WeakPolarHBondContact O-CB 3.33Å; S97-I100 PolarHBondContact O-N 3.24Å; Y98-I100 VanDerWaalsContact C-N 3.28Å; Y98-I100 PolarHBondContact O-N 2.93Å; I100-F102 PolarHBondContact O-N 3.28Å; I100-T110 HydrophobicContact CG2-CG2 4.21Å
101	V	59.3	Low	67.6	Low	2 Å²	2	64 Å²	64	1%	0.012	33%	0.326	C	S	.	.	H	α-helix	trans	-66.6	-38.6	-177.5	-176.9	0	0	0	0	112	V53 A56 R57 M60 I94 S97 Y98 T110	V53-V101 HydrophobicContact CG1-CG1 4.08Å; A56-V101 HydrophobicContact CB-CG1 4.2Å; R57-V101 HydrophobicContact CG-CG1 4.16Å; R57-V101 PolarHBondContact NE-O 3.44Å; M60-V101 HydrophobicContact CE-CB 4.06Å; M60-V101 HydrophobicContact CE-CG1 3.51Å; I94-V101 HydrophobicContact CG2-CG2 3.56Å; S97-V101 PolarHBondContact O-N 3.45Å; Y98-V101 PolarHBondContact O-N 2.03Å; V101-T110 HydrophobicContact CG2-CG2 4.21Å
102	F	60.8	Low	67.7	Low	151 Å²	151	68.3 Å²	68.3	66%	0.662	35%	0.347	S	S	*	.	H	α-helix	trans	-78.5	-36.1	-175.6	-168.2	-93.1	0	0	0	113.3	M60 Y98 I100 R104	M60-F102 HydrophobicContact SD-CD2 4.18Å; Y98-F102 PolarHBondContact O-N 3.08Å; I100-F102 PolarHBondContact O-N 3.28Å; F102-R104 PolarHBondContact O-N 3.45Å
103	N	58	Low	67.4	Low	141 Å²	141	71.2 Å²	71.2	75%	0.754	36%	0.356	S	S	*	.	S	Bend	trans	-76.4	-5.2	-173	-159.9	23.7	0	0	0	114	L99	L99-N103 PolarHBondContact O-N 3.14Å
104	R	56.7	Low	67.4	Low	120 Å²	120	68.7 Å²	68.7	45%	0.453	35%	0.346	S	S	.	.			trans	-116.1	141.4	-172.1	-67.2	-75.4	-165	178.1	1.6	111.7	R57 F102	R57-R104 VanDerWaalsContact CZ-O 3.31Å; R57-R104 PolarHBondContact NH2-O 3.33Å; F102-R104 PolarHBondContact O-N 3.45Å
105	T	62.1	Low	67.6	Low	126 Å²	126	73.6 Å²	73.6	77%	0.773	38%	0.38	S	S	*	.	S	Bend	trans	-74.4	-31.4	-178.1	37.2	0	0	0	0	112.8	R57	R57-T105 PolarHBondContact NH1-O 3.08Å
106	Q	69.4	Low	67.8	Low	120 Å²	120	73.9 Å²	73.9	56%	0.561	38%	0.381	S	S	*	.			trans	-125.1	144.7	-172.4	-59.1	-173.4	73.2	0	0	112.2	R57 L108	R57-Q106 PolarHBondContact NH2-O 3.05Å; Q106-L108 VanDerWaalsContact C-N 3.31Å
107	A	70.3	Confident	68	Low	10 Å²	10	68.9 Å²	68.9	8%	0.083	36%	0.355	C	S	.	.	H	α-helix	trans	-68.4	-35	-176.8	0	0	0	0	0	111.8	V53 R57 D109 T110 C111	V53-A107 HydrophobicContact CB-CB 4Å; V53-A107 HydrophobicContact CG1-CB 3.59Å; R57-A107 VanDerWaalsContact NH1-N 3.19Å; A107-D109 VanDerWaalsContact C-N 3.35Å; A107-D109 PolarHBondContact O-N 3.04Å; A107-T110 PolarHBondContact O-N 2.93Å; A107-C111 PolarHBondContact O-N 3.4Å; A107-C111 PolarHBondContact O-SG 3.48Å
108	L	71.9	Confident	68.1	Low	76 Å²	76	74.2 Å²	74.2	40%	0.398	39%	0.392	S	S	.	.	H	α-helix	trans	-58.2	-45.5	177.6	-177.6	63.8	0	0	0	111.7	Q106 T110 C111 M112 C117	Q106-L108 VanDerWaalsContact C-N 3.31Å; L108-T110 VanDerWaalsContact C-N 3.32Å; L108-T110 PolarHBondContact O-N 3.09Å; L108-C111 CarbonylContact O-C 3.6Å; L108-C111 PolarHBondContact O-N 2.93Å; L108-C111 VanDerWaalsContact O-N 3.07Å; L108-M112 HydrophobicContact CD1-CG 4.3Å; L108-M112 HydrophobicContact CG-CG 4.4Å; L108-M112 HydrophobicContact CG-SD 4.19Å; L108-M112 WeakPolarHBondContact O-CG 3.12Å; L108-M112 PolarHBondContact O-N 3.38Å; L108-C117 HydrophobicContact CD1-CB 4.28Å
109	D	74.4	Confident	68.4	Low	56 Å²	56	74.4 Å²	74.4	30%	0.299	40%	0.398	S	S	.	.	H	α-helix	trans	-60.3	-42.7	-179.9	-60.1	-23.7	0	0	0	111.8	A107 C111 Q113	A107-D109 VanDerWaalsContact C-N 3.35Å; A107-D109 PolarHBondContact O-N 3.04Å; D109-C111 VanDerWaalsContact C-N 3.33Å; D109-Q113 WeakPolarHBondContact O-CB 3.21Å; D109-Q113 PolarHBondContact O-N 3.25Å; D109-Q113 VanDerWaalsContact O-N 3.14Å
110	T	73.3	Confident	68.9	Low	2 Å²	2	70.6 Å²	70.6	1%	0.012	38%	0.379	C	S	.	.	H	α-helix	trans	-60.7	-46.2	174.9	-57.7	0	0	0	0	110.1	V53 I100 V101 A107 L108 Q113 V114	V53-T110 HydrophobicContact CG2-CG2 3.7Å; I100-T110 HydrophobicContact CG2-CG2 4.21Å; V101-T110 HydrophobicContact CG2-CG2 4.21Å; A107-T110 PolarHBondContact O-N 2.93Å; L108-T110 VanDerWaalsContact C-N 3.32Å; L108-T110 PolarHBondContact O-N 3.09Å; T110-Q113 WeakPolarHBondContact O-CB 3.35Å; T110-Q113 PolarHBondContact O-N 3.29Å; T110-V114 WeakPolarHBondContact O-CG2 3.43Å; T110-V114 PolarHBondContact O-N 3.46Å; T110-V114 VanDerWaalsContact O-N 3.14Å
111	C	77.2	Confident	69.5	Low	0 Å²	0	71.7 Å²	71.7	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-70.3	-31.9	-177.2	-63.2	0	0	0	0	114.9	C49 K50 A107 L108 D109 Q113 S115 F116 C117	C49-C111 HydrophobicContact CB-CB 3.76Å; C49-C111 WeakPolarHBondContact CB-SG 3.47Å; C49-C111 WeakPolarHBondContact SG-CA 3.37Å; C49-C111 WeakPolarHBondContact SG-CB 3.46Å; C49-C111 CovalentContact SG-SG 2.02Å; C49-C111 PolarHBondContact SG-SG 2.98Å; K50-C111 PolarHBondContact N-SG 2.99Å; A107-C111 PolarHBondContact O-N 3.4Å; A107-C111 PolarHBondContact O-SG 3.48Å; L108-C111 CarbonylContact O-C 3.6Å; L108-C111 PolarHBondContact O-N 2.93Å; L108-C111 VanDerWaalsContact O-N 3.07Å; D109-C111 VanDerWaalsContact C-N 3.33Å; C111-Q113 VanDerWaalsContact C-N 3.34Å; C111-S115 PolarHBondContact O-N 3Å; C111-F116 PolarHBondContact O-N 2.98Å; C111-C117 HydrophobicContact CB-CB 4.2Å; C111-C117 WeakPolarHBondContact CB-SG 3.07Å; C111-C117 PolarHBondContact O-N 3.14Å; C111-C117 VanDerWaalsContact O-N 3.08Å
112	M	78.6	Confident	70.1	Confident	90 Å²	90	75.8 Å²	75.8	44%	0.443	41%	0.407	S	S	.	.	H	α-helix	trans	-67.4	-38.3	170.6	-69.5	-179	77.9	0	0	111.1	L108 S115 C117	L108-M112 HydrophobicContact CD1-CG 4.3Å; L108-M112 HydrophobicContact CG-CG 4.4Å; L108-M112 HydrophobicContact CG-SD 4.19Å; L108-M112 WeakPolarHBondContact O-CG 3.12Å; L108-M112 PolarHBondContact O-N 3.38Å; M112-S115 WeakPolarHBondContact O-CA 3.24Å; M112-S115 PolarHBondContact O-N 2.92Å; M112-C117 WeakPolarHBondContact CA-O 3.49Å; M112-C117 HydrophobicContact CG-CB 3.9Å
113	Q	73.7	Confident	70.7	Confident	100 Å²	100	71.1 Å²	71.1	47%	0.467	39%	0.391	S	S	.	.	H	α-helix	trans	-67.3	-40.1	-179.3	-173.3	170.5	22.8	0	0	113	D109 T110 C111 S115	D109-Q113 WeakPolarHBondContact O-CB 3.21Å; D109-Q113 PolarHBondContact O-N 3.25Å; D109-Q113 VanDerWaalsContact O-N 3.14Å; T110-Q113 WeakPolarHBondContact O-CB 3.35Å; T110-Q113 PolarHBondContact O-N 3.29Å; C111-Q113 VanDerWaalsContact C-N 3.34Å; Q113-S115 PolarHBondContact O-N 3.07Å
114	V	74	Confident	71.5	Confident	25 Å²	25	66.5 Å²	66.5	15%	0.152	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	11.9	172.3	-62.9	0	0	0	0	112.6	T110 F116	T110-V114 WeakPolarHBondContact O-CG2 3.43Å; T110-V114 PolarHBondContact O-N 3.46Å; T110-V114 VanDerWaalsContact O-N 3.14Å; V114-F116 HydrophobicContact CB-CD2 4.02Å; V114-F116 HydrophobicContact CB-CE2 4.03Å; V114-F116 HydrophobicContact CG2-CB 4.36Å; V114-F116 HydrophobicContact CG2-CD2 3.15Å; V114-F116 HydrophobicContact CG2-CE2 3.56Å; V114-F116 HydrophobicContact CG2-CG 3.96Å; V114-F116 PolarHBondContact O-N 2.68Å; V114-F116 VanDerWaalsContact O-N 3.09Å
115	S	73.5	Confident	72.5	Confident	104 Å²	104	62.6 Å²	62.6	73%	0.727	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	25.7	176.5	-52.6	0	0	0	0	114.6	C111 M112 Q113	C111-S115 PolarHBondContact O-N 3Å; M112-S115 WeakPolarHBondContact O-CA 3.24Å; M112-S115 PolarHBondContact O-N 2.92Å; Q113-S115 PolarHBondContact O-N 3.07Å
116	F	75.5	Confident	73.4	Confident	13 Å²	13	57.8 Å²	57.8	6%	0.057	33%	0.329	C	S	.	.	S	Bend	trans	-84.9	-24.3	171.2	-66.9	-43	0	0	0	112.5	K45 C46 C49 V90 Q93 I94 C111 V114	K45-F116 HydrophobicContact CB-CB 4.47Å; K45-F116 HydrophobicContact CB-CD1 4.32Å; K45-F116 HydrophobicContact CD-CD1 4.38Å; C46-F116 WeakPolarHBondContact CA-O 3.1Å; C46-F116 VanDerWaalsContact CB-O 3.29Å; C46-F116 WeakPolarHBondContact CB-O 3.22Å; C46-F116 PolarHBondContact N-O 3.44Å; C49-F116 HydrophobicContact CB-CB 3.85Å; C49-F116 HydrophobicContact CB-CD2 3.83Å; C49-F116 HydrophobicContact CB-CG 4.22Å; V90-F116 HydrophobicContact CB-CE2 4.21Å; V90-F116 HydrophobicContact CB-CZ 4.19Å; V90-F116 HydrophobicContact CG1-CD2 3.88Å; V90-F116 HydrophobicContact CG1-CE2 3.77Å; V90-F116 HydrophobicContact CG1-CG 4.49Å; V90-F116 HydrophobicContact CG1-CZ 4.24Å; V90-F116 HydrophobicContact CG2-CD1 4.13Å; V90-F116 HydrophobicContact CG2-CD2 4.47Å; V90-F116 HydrophobicContact CG2-CE1 3.9Å; V90-F116 HydrophobicContact CG2-CE2 4.28Å; V90-F116 HydrophobicContact CG2-CG 4.43Å; V90-F116 HydrophobicContact CG2-CZ 3.98Å; Q93-F116 HydrophobicContact CB-CE2 4.16Å; Q93-F116 HydrophobicContact CB-CZ 3.92Å; Q93-F116 VanDerWaalsContact CD-CZ 3.5Å; Q93-F116 HydrophobicContact CG-CZ 4.24Å; I94-F116 HydrophobicContact CD1-CE2 4.41Å; I94-F116 HydrophobicContact CG1-CE2 4.16Å; C111-F116 PolarHBondContact O-N 2.98Å; V114-F116 HydrophobicContact CB-CD2 4.02Å; V114-F116 HydrophobicContact CB-CE2 4.03Å; V114-F116 HydrophobicContact CG2-CB 4.36Å; V114-F116 HydrophobicContact CG2-CD2 3.15Å; V114-F116 HydrophobicContact CG2-CE2 3.56Å; V114-F116 HydrophobicContact CG2-CG 3.96Å; V114-F116 PolarHBondContact O-N 2.68Å; V114-F116 VanDerWaalsContact O-N 3.09Å
117	C	72.5	Confident	73.7	Confident	10 Å²	10	52.6 Å²	52.6	7%	0.068	31%	0.31	C	S	.	.			trans	-114.6	139.1	169.8	-59.5	0	0	0	0	109.2	C46 L108 C111 M112	C46-C117 WeakPolarHBondContact CA-SG 3.31Å; C46-C117 HydrophobicContact CB-CB 3.92Å; C46-C117 WeakPolarHBondContact CB-SG 3.46Å; C46-C117 WeakPolarHBondContact SG-CB 3.43Å; C46-C117 CovalentContact SG-SG 2.03Å; C46-C117 PolarHBondContact SG-SG 3.33Å; L108-C117 HydrophobicContact CD1-CB 4.28Å; C111-C117 HydrophobicContact CB-CB 4.2Å; C111-C117 WeakPolarHBondContact CB-SG 3.07Å; C111-C117 PolarHBondContact O-N 3.14Å; C111-C117 VanDerWaalsContact O-N 3.08Å; M112-C117 WeakPolarHBondContact CA-O 3.49Å; M112-C117 HydrophobicContact CG-CB 3.9Å
118	S	69.5	Low	74	Confident	145 Å²	145	56.5 Å²	56.5	100%	1.014	33%	0.331	S	S	*	.			trans	-110.7	0	172.1	52.6	0	0	0	0	110.6

Retrieved 118 of 118 residues in 37.4 ms (Link to these results)

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