A0A5K4F6I6_SCHMA Loading...

Saposin B-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6I6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 118 aa.

						>A0A5K4F6I6_SCHMA|A0A5K4F6I6
MFTRIFILAIIFSEFILDSYQNKITERFTLHYRNNSLDKTNTIELCRKCQLTMGYLQSTIINKIESQTTASWIEAMCKLTGSYNITCSALITEYVWNAAEVIHSTNSTSFCRIIHLCN
					

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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	54.7	Low	54.2	Low	196 Å²	196	106 Å²	106	97%	0.966	52%	0.522	S	S	*	.				0	-46.2	0	-154.7	166.1	176.1	0	0	112	T3 R4	M1-T3 PolarHBondContact O-N 3.09Å; M1-R4 PolarHBondContact O-N 3.33Å
2	F	43.8	Very low	55	Low	178 Å²	178	105.8 Å²	105.8	78%	0.781	52%	0.516	S	S	*	.	H	α-helix	trans	-59.7	-35.1	-179.4	-68.4	-79.5	0	0	0	116.3	R4 I5 F6	F2-R4 PolarHBondContact O-N 2.67Å; F2-I5 PolarHBondContact O-N 3.49Å; F2-F6 PolarHBondContact O-N 3.23Å
3	T	52.9	Low	55.6	Low	105 Å²	105	102 Å²	102	64%	0.644	51%	0.507	S	S	*	.	H	α-helix	trans	-60.6	-33.1	-178.9	-35.9	0	0	0	0	112.7	M1 I7	M1-T3 PolarHBondContact O-N 3.09Å; T3-I7 HydrophobicContact CG2-CD1 4.32Å; T3-I7 WeakPolarHBondContact O-CD1 3.38Å; T3-I7 VanDerWaalsContact O-CG1 3.26Å; T3-I7 WeakPolarHBondContact O-CG1 3.43Å; T3-I7 PolarHBondContact O-N 2.85Å
4	R	45.8	Very low	55.6	Low	173 Å²	173	103.5 Å²	103.5	65%	0.653	51%	0.512	S	S	*	.	H	α-helix	trans	-73.4	-35	-178.6	-67.5	-174.4	169.7	-160.6	-4.8	112.6	M1 F2 L8	M1-R4 PolarHBondContact O-N 3.33Å; F2-R4 PolarHBondContact O-N 2.67Å; R4-L8 WeakPolarHBondContact O-CG 3.46Å; R4-L8 PolarHBondContact O-N 3.4Å; R4-L8 VanDerWaalsContact O-N 3.08Å
5	I	54.3	Low	55.8	Low	100 Å²	100	100.5 Å²	100.5	51%	0.513	50%	0.495	S	S	.	.	H	α-helix	trans	-70.2	-37.7	177	-63.9	168.9	0	0	0	110.6	F2 L8 A9	F2-I5 PolarHBondContact O-N 3.49Å; I5-L8 WeakPolarHBondContact O-CB 3.27Å; I5-L8 PolarHBondContact O-N 2.74Å; I5-A9 PolarHBondContact O-N 3.47Å
6	F	50.5	Low	56.1	Low	149 Å²	149	100.1 Å²	100.1	65%	0.654	49%	0.494	S	S	*	.	H	α-helix	trans	-66.9	-41.5	178.2	-153	-100.1	0	0	0	111.8	F2 L8 A9 I10	F2-F6 PolarHBondContact O-N 3.23Å; F6-L8 VanDerWaalsContact C-N 3.33Å; F6-L8 PolarHBondContact O-N 3.36Å; F6-A9 PolarHBondContact O-N 3.34Å; F6-I10 HydrophobicContact CD1-CD1 3.58Å; F6-I10 HydrophobicContact CD1-CG1 4.32Å; F6-I10 HydrophobicContact CE1-CD1 3.72Å; F6-I10 HydrophobicContact CE1-CG1 4.4Å; F6-I10 VanDerWaalsContact O-CG1 3.3Å; F6-I10 WeakPolarHBondContact O-CG1 3.37Å; F6-I10 PolarHBondContact O-N 2.99Å
7	I	55.9	Low	55.8	Low	69 Å²	69	100.4 Å²	100.4	35%	0.354	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-42.4	174.2	-67.3	165.8	0	0	0	110.5	T3 A9 I10 I11	T3-I7 HydrophobicContact CG2-CD1 4.32Å; T3-I7 WeakPolarHBondContact O-CD1 3.38Å; T3-I7 VanDerWaalsContact O-CG1 3.26Å; T3-I7 WeakPolarHBondContact O-CG1 3.43Å; T3-I7 PolarHBondContact O-N 2.85Å; I7-A9 PolarHBondContact O-N 3.01Å; I7-I10 PolarHBondContact O-N 3.18Å; I7-I11 HydrophobicContact CG2-CD1 3.56Å; I7-I11 HydrophobicContact CG2-CG1 4.28Å; I7-I11 WeakPolarHBondContact O-CB 3.26Å; I7-I11 VanDerWaalsContact O-CG1 3.23Å; I7-I11 WeakPolarHBondContact O-CG1 3.14Å; I7-I11 PolarHBondContact O-N 3.28Å
8	L	53.5	Low	55.4	Low	33 Å²	33	98.2 Å²	98.2	17%	0.173	49%	0.488	C	S	.	.	H	α-helix	trans	-60.6	-43.5	175.1	-82.1	169.8	0	0	0	113	R4 I5 F6 I11 F12 Y94	R4-L8 WeakPolarHBondContact O-CG 3.46Å; R4-L8 PolarHBondContact O-N 3.4Å; R4-L8 VanDerWaalsContact O-N 3.08Å; I5-L8 WeakPolarHBondContact O-CB 3.27Å; I5-L8 PolarHBondContact O-N 2.74Å; F6-L8 VanDerWaalsContact C-N 3.33Å; F6-L8 PolarHBondContact O-N 3.36Å; L8-I11 PolarHBondContact O-N 2.73Å; L8-F12 WeakPolarHBondContact O-CB 3.24Å; L8-F12 PolarHBondContact O-N 3.41Å; L8-Y94 HydrophobicContact CD1-CD1 4.03Å; L8-Y94 HydrophobicContact CD2-CD1 3.43Å; L8-Y94 VanDerWaalsContact CD2-CD1 3.43Å; L8-Y94 HydrophobicContact CD2-CD2 4.11Å; L8-Y94 HydrophobicContact CD2-CE1 4.13Å; L8-Y94 HydrophobicContact CD2-CG 3.42Å; L8-Y94 VanDerWaalsContact CD2-CG 3.42Å; L8-Y94 HydrophobicContact CG-CD1 3.78Å; L8-Y94 HydrophobicContact CG-CE1 4.16Å; L8-Y94 HydrophobicContact CG-CG 4.3Å
9	A	60	Low	55	Low	55 Å²	55	96.5 Å²	96.5	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-65.5	-40.5	177.6	0	0	0	0	0	111.9	I5 F6 I7 S13	I5-A9 PolarHBondContact O-N 3.47Å; F6-A9 PolarHBondContact O-N 3.34Å; I7-A9 PolarHBondContact O-N 3.01Å; A9-S13 VanDerWaalsContact O-CB 3.27Å; A9-S13 WeakPolarHBondContact O-CB 3.36Å; A9-S13 PolarHBondContact O-N 2.96Å; A9-S13 PolarHBondContact O-OG 3.21Å
10	I	63.5	Low	54.6	Low	72 Å²	72	96.9 Å²	96.9	37%	0.369	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-49.9	175.2	-67.1	166.9	0	0	0	110	F6 I7 F12 S13 E14	F6-I10 HydrophobicContact CD1-CD1 3.58Å; F6-I10 HydrophobicContact CD1-CG1 4.32Å; F6-I10 HydrophobicContact CE1-CD1 3.72Å; F6-I10 HydrophobicContact CE1-CG1 4.4Å; F6-I10 VanDerWaalsContact O-CG1 3.3Å; F6-I10 WeakPolarHBondContact O-CG1 3.37Å; F6-I10 PolarHBondContact O-N 2.99Å; I7-I10 PolarHBondContact O-N 3.18Å; I10-F12 PolarHBondContact O-N 3.24Å; I10-S13 WeakPolarHBondContact CA-OG 3.16Å; I10-S13 CarbonylContact O-C 3.53Å; I10-S13 PolarHBondContact O-N 3.37Å; I10-S13 VanDerWaalsContact O-N 3.1Å; I10-S13 PolarHBondContact O-OG 2.75Å; I10-E14 HydrophobicContact CG2-CG 4.27Å; I10-E14 WeakPolarHBondContact O-CB 3.18Å; I10-E14 WeakPolarHBondContact O-CG 3.28Å; I10-E14 PolarHBondContact O-N 2.88Å
11	I	60.7	Low	54.2	Low	36 Å²	36	97.1 Å²	97.1	19%	0.185	48%	0.482	C	S	.	.	H	α-helix	trans	-64.8	-40.1	-179.3	-67.2	172	0	0	0	111.4	I7 L8 S13 E14 F15 L90 Y94	I7-I11 HydrophobicContact CG2-CD1 3.56Å; I7-I11 HydrophobicContact CG2-CG1 4.28Å; I7-I11 WeakPolarHBondContact O-CB 3.26Å; I7-I11 VanDerWaalsContact O-CG1 3.23Å; I7-I11 WeakPolarHBondContact O-CG1 3.14Å; I7-I11 PolarHBondContact O-N 3.28Å; L8-I11 PolarHBondContact O-N 2.73Å; I11-S13 VanDerWaalsContact C-N 3.32Å; I11-E14 PolarHBondContact O-N 3.31Å; I11-F15 WeakPolarHBondContact O-CB 3.48Å; I11-F15 PolarHBondContact O-N 3.13Å; I11-L90 HydrophobicContact CD1-CD2 3.87Å; I11-L90 HydrophobicContact CG2-CD1 3.76Å; I11-Y94 HydrophobicContact CD1-CE2 4.47Å
12	F	64.7	Low	53.8	Low	103 Å²	103	93.1 Å²	93.1	45%	0.452	47%	0.465	S	S	.	.	H	α-helix	trans	-65.4	-38	173.9	-120.4	-94.7	0	0	0	111.4	L8 I10 I16	L8-F12 WeakPolarHBondContact O-CB 3.24Å; L8-F12 PolarHBondContact O-N 3.41Å; I10-F12 PolarHBondContact O-N 3.24Å; F12-I16 HydrophobicContact CD1-CD1 4.12Å; F12-I16 HydrophobicContact CD1-CG1 4.45Å; F12-I16 VanDerWaalsContact O-CB 3.24Å; F12-I16 WeakPolarHBondContact O-CB 3.33Å; F12-I16 WeakPolarHBondContact O-CG1 3.22Å; F12-I16 PolarHBondContact O-N 2.89Å
13	S	63.1	Low	53.9	Low	57 Å²	57	92.4 Å²	92.4	40%	0.399	46%	0.461	S	S	.	.	H	α-helix	trans	-67.9	-42.9	176.5	71.5	0	0	0	0	111.9	A9 I10 I11 I16 L17	A9-S13 VanDerWaalsContact O-CB 3.27Å; A9-S13 WeakPolarHBondContact O-CB 3.36Å; A9-S13 PolarHBondContact O-N 2.96Å; A9-S13 PolarHBondContact O-OG 3.21Å; I10-S13 WeakPolarHBondContact CA-OG 3.16Å; I10-S13 CarbonylContact O-C 3.53Å; I10-S13 PolarHBondContact O-N 3.37Å; I10-S13 VanDerWaalsContact O-N 3.1Å; I10-S13 PolarHBondContact O-OG 2.75Å; I11-S13 VanDerWaalsContact C-N 3.32Å; S13-I16 PolarHBondContact O-N 3.45Å; S13-L17 WeakPolarHBondContact O-CB 3.25Å; S13-L17 WeakPolarHBondContact O-CD1 3.41Å; S13-L17 PolarHBondContact O-N 3.36Å
14	E	55.6	Low	53.5	Low	123 Å²	123	89 Å²	89	58%	0.575	44%	0.439	S	S	*	.	H	α-helix	trans	-70.8	-34.8	177.1	-71.9	-171.2	133.1	0	0	112.2	I10 I11 L17 D18	I10-E14 HydrophobicContact CG2-CG 4.27Å; I10-E14 WeakPolarHBondContact O-CB 3.18Å; I10-E14 WeakPolarHBondContact O-CG 3.28Å; I10-E14 PolarHBondContact O-N 2.88Å; I11-E14 PolarHBondContact O-N 3.31Å; E14-L17 CarbonylContact O-C 3.59Å; E14-L17 WeakPolarHBondContact O-CB 3.19Å; E14-L17 PolarHBondContact O-N 2.91Å; E14-D18 WeakPolarHBondContact O-CB 3.3Å; E14-D18 PolarHBondContact O-N 3.43Å
15	F	58.4	Low	53.4	Low	59 Å²	59	83.5 Å²	83.5	26%	0.259	42%	0.424	S	S	.	.	H	α-helix	trans	-71.2	-40.6	173.4	-176.3	-92.8	0	0	0	111.9	I11 L17 D18 S19 T80 Y83 C87	I11-F15 WeakPolarHBondContact O-CB 3.48Å; I11-F15 PolarHBondContact O-N 3.13Å; F15-L17 VanDerWaalsContact C-N 3.29Å; F15-D18 PolarHBondContact O-N 3.44Å; F15-S19 WeakPolarHBondContact O-CB 2.97Å; F15-S19 PolarHBondContact O-N 3.09Å; F15-T80 HydrophobicContact CE2-CG2 3.62Å; F15-T80 HydrophobicContact CZ-CG2 3.65Å; F15-Y83 HydrophobicContact CD2-CD1 4.28Å; F15-Y83 AromaticContact CD2-CE1 3.91Å; F15-Y83 HydrophobicContact CD2-CE1 3.91Å; F15-Y83 HydrophobicContact CE2-CD1 4.25Å; F15-Y83 HydrophobicContact CE2-CE1 4.23Å; F15-C87 HydrophobicContact CE2-CB 4.33Å
16	I	59.5	Low	52.8	Low	94 Å²	94	87.5 Å²	87.5	48%	0.482	44%	0.441	S	S	.	.	H	α-helix	trans	-60.1	-46.3	170	-74.3	178.4	0	0	0	108	F12 S13 Y20	F12-I16 HydrophobicContact CD1-CD1 4.12Å; F12-I16 HydrophobicContact CD1-CG1 4.45Å; F12-I16 VanDerWaalsContact O-CB 3.24Å; F12-I16 WeakPolarHBondContact O-CB 3.33Å; F12-I16 WeakPolarHBondContact O-CG1 3.22Å; F12-I16 PolarHBondContact O-N 2.89Å; S13-I16 PolarHBondContact O-N 3.45Å; I16-Y20 WeakPolarHBondContact O-CB 3.12Å; I16-Y20 PolarHBondContact O-N 3.37Å
17	L	50.8	Low	52.5	Low	105 Å²	105	90.7 Å²	90.7	55%	0.55	45%	0.449	S	S	.	.	H	α-helix	trans	-58.2	-50.9	173.9	-90.4	140.8	0	0	0	112.1	S13 E14 F15 Y20 Q21	S13-L17 WeakPolarHBondContact O-CB 3.25Å; S13-L17 WeakPolarHBondContact O-CD1 3.41Å; S13-L17 PolarHBondContact O-N 3.36Å; E14-L17 CarbonylContact O-C 3.59Å; E14-L17 WeakPolarHBondContact O-CB 3.19Å; E14-L17 PolarHBondContact O-N 2.91Å; F15-L17 VanDerWaalsContact C-N 3.29Å; L17-Y20 CarbonylContact O-C 3.36Å; L17-Y20 WeakPolarHBondContact O-CA 3.21Å; L17-Y20 PolarHBondContact O-N 3.35Å; L17-Y20 VanDerWaalsContact O-N 3.17Å; L17-Q21 VanDerWaalsContact O-CB 3.29Å; L17-Q21 WeakPolarHBondContact O-CB 3.28Å; L17-Q21 WeakPolarHBondContact O-CG 3.32Å; L17-Q21 PolarHBondContact O-N 3.47Å
18	D	49.2	Very low	52	Low	61 Å²	61	90.8 Å²	90.8	33%	0.326	45%	0.447	S	S	.	.	H	α-helix	trans	-70.4	-40	-176	-163.8	79.3	0	0	0	112.9	E14 F15 Y20 Q21 N22	E14-D18 WeakPolarHBondContact O-CB 3.3Å; E14-D18 PolarHBondContact O-N 3.43Å; F15-D18 PolarHBondContact O-N 3.44Å; D18-Y20 PolarHBondContact O-N 3.49Å; D18-Q21 CarbonylContact O-C 3.59Å; D18-Q21 PolarHBondContact O-N 2.8Å; D18-N22 WeakPolarHBondContact O-CB 3.22Å; D18-N22 PolarHBondContact O-N 3.47Å; D18-N22 PolarHBondContact OD1-ND2 3.4Å; D18-N22 PolarHBondContact OD2-ND2 3.42Å; D18-N22 VanDerWaalsContact OD2-ND2 3.12Å
19	S	48.7	Very low	51.7	Low	65 Å²	65	92.7 Å²	92.7	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-64.9	-30.1	171.8	-177.9	0	0	0	0	112	F15	F15-S19 WeakPolarHBondContact O-CB 2.97Å; F15-S19 PolarHBondContact O-N 3.09Å
20	Y	46.9	Very low	50.8	Low	105 Å²	105	96.2 Å²	96.2	41%	0.412	47%	0.47	S	S	.	.	H	α-helix	trans	-83.1	-10.8	171.9	-131.7	-101.3	0	0	0	112.8	I16 L17 D18 I24 F28	I16-Y20 WeakPolarHBondContact O-CB 3.12Å; I16-Y20 PolarHBondContact O-N 3.37Å; L17-Y20 CarbonylContact O-C 3.36Å; L17-Y20 WeakPolarHBondContact O-CA 3.21Å; L17-Y20 PolarHBondContact O-N 3.35Å; L17-Y20 VanDerWaalsContact O-N 3.17Å; D18-Y20 PolarHBondContact O-N 3.49Å; Y20-I24 HydrophobicContact CD1-CD1 4.46Å; Y20-I24 HydrophobicContact CD1-CG2 3.59Å; Y20-I24 HydrophobicContact CD2-CD1 3.86Å; Y20-I24 HydrophobicContact CE1-CG2 3.98Å; Y20-I24 HydrophobicContact CE2-CD1 4.12Å; Y20-I24 HydrophobicContact CG-CD1 4.05Å; Y20-I24 HydrophobicContact CG-CG2 4.02Å; Y20-I24 WeakPolarHBondContact O-CB 3.37Å; Y20-I24 WeakPolarHBondContact O-CG2 3.4Å; Y20-F28 AromaticContact CE1-CD1 3.83Å; Y20-F28 HydrophobicContact CE1-CD1 3.83Å; Y20-F28 AromaticContact CE1-CE1 3.83Å; Y20-F28 HydrophobicContact CE1-CE1 3.83Å; Y20-F28 AromaticContact CZ-CE1 3.65Å; Y20-F28 WeakPolarHBondContact OH-CE1 3.1Å
21	Q	45.5	Very low	49.9	Very low	102 Å²	102	99.5 Å²	99.5	48%	0.477	48%	0.484	S	S	.	.	H	α-helix	trans	-105	-25.7	179.9	-65.5	-75.4	-49.6	0	0	111.6	L17 D18 T25	L17-Q21 VanDerWaalsContact O-CB 3.29Å; L17-Q21 WeakPolarHBondContact O-CB 3.28Å; L17-Q21 WeakPolarHBondContact O-CG 3.32Å; L17-Q21 PolarHBondContact O-N 3.47Å; D18-Q21 CarbonylContact O-C 3.59Å; D18-Q21 PolarHBondContact O-N 2.8Å; Q21-T25 VanDerWaalsContact C-OG1 3.28Å; Q21-T25 VanDerWaalsContact CA-OG1 3.29Å; Q21-T25 WeakPolarHBondContact CA-OG1 3.44Å; Q21-T25 WeakPolarHBondContact O-CB 3.3Å; Q21-T25 PolarHBondContact O-OG1 2.78Å
22	N	46.5	Very low	49.1	Very low	112 Å²	112	103.8 Å²	103.8	60%	0.599	50%	0.499	S	S	*	.	H	α-helix	trans	-98.3	-6.8	-173.8	-91.3	-32.2	0	0	0	116.9	D18	D18-N22 WeakPolarHBondContact O-CB 3.22Å; D18-N22 PolarHBondContact O-N 3.47Å; D18-N22 PolarHBondContact OD1-ND2 3.4Å; D18-N22 PolarHBondContact OD2-ND2 3.42Å; D18-N22 VanDerWaalsContact OD2-ND2 3.12Å
23	K	46.6	Very low	47.9	Very low	162 Å²	162	108.9 Å²	108.9	70%	0.704	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	2.3	170.6	-116.5	172.9	-176.2	170.3	0	114.5
24	I	44.4	Very low	47.1	Very low	34 Å²	34	112.7 Å²	112.7	17%	0.174	53%	0.531	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-18.9	-163.5	-82.3	-179.7	0	0	0	109.8	Y20 E26 R27 F28	Y20-I24 HydrophobicContact CD1-CD1 4.46Å; Y20-I24 HydrophobicContact CD1-CG2 3.59Å; Y20-I24 HydrophobicContact CD2-CD1 3.86Å; Y20-I24 HydrophobicContact CE1-CG2 3.98Å; Y20-I24 HydrophobicContact CE2-CD1 4.12Å; Y20-I24 HydrophobicContact CG-CD1 4.05Å; Y20-I24 HydrophobicContact CG-CG2 4.02Å; Y20-I24 WeakPolarHBondContact O-CB 3.37Å; Y20-I24 WeakPolarHBondContact O-CG2 3.4Å; I24-E26 PolarHBondContact O-N 2.68Å; I24-R27 PolarHBondContact O-N 3.28Å; I24-F28 HydrophobicContact CB-CB 4.46Å; I24-F28 HydrophobicContact CB-CD2 3.91Å; I24-F28 HydrophobicContact CB-CE2 4.34Å; I24-F28 HydrophobicContact CB-CG 4.33Å; I24-F28 HydrophobicContact CD1-CD2 4.25Å; I24-F28 HydrophobicContact CD1-CE2 3.8Å; I24-F28 HydrophobicContact CD1-CZ 4.11Å; I24-F28 HydrophobicContact CG1-CD2 3.75Å; I24-F28 HydrophobicContact CG1-CE2 3.68Å; I24-F28 HydrophobicContact CG1-CZ 4.47Å; I24-F28 HydrophobicContact CG2-CB 3.41Å; I24-F28 VanDerWaalsContact CG2-CB 3.41Å; I24-F28 HydrophobicContact CG2-CD1 3.94Å; I24-F28 HydrophobicContact CG2-CD2 3.4Å; I24-F28 VanDerWaalsContact CG2-CD2 3.4Å; I24-F28 HydrophobicContact CG2-CE1 4.49Å; I24-F28 HydrophobicContact CG2-CE2 3.98Å; I24-F28 HydrophobicContact CG2-CG 3.35Å; I24-F28 HydrophobicContact CG2-CZ 4.48Å; I24-F28 WeakPolarHBondContact O-CA 3.34Å; I24-F28 WeakPolarHBondContact O-CB 3.45Å; I24-F28 PolarHBondContact O-N 2.68Å
25	T	43.4	Very low	46.5	Very low	57 Å²	57	112.1 Å²	112.1	35%	0.35	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.5	-176.4	-62.6	0	0	0	0	115.8	Q21 T29	Q21-T25 VanDerWaalsContact C-OG1 3.28Å; Q21-T25 VanDerWaalsContact CA-OG1 3.29Å; Q21-T25 WeakPolarHBondContact CA-OG1 3.44Å; Q21-T25 WeakPolarHBondContact O-CB 3.3Å; Q21-T25 PolarHBondContact O-OG1 2.78Å; T25-T29 HydrophobicContact CG2-CG2 4.14Å; T25-T29 WeakPolarHBondContact O-CB 3.17Å; T25-T29 WeakPolarHBondContact O-CG2 3.46Å; T25-T29 PolarHBondContact O-OG1 3.38Å
26	E	42.3	Very low	45.8	Very low	185 Å²	185	113.5 Å²	113.5	86%	0.864	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-14.1	173.4	-70.3	-171.5	159.4	0	0	114.1	I24	I24-E26 PolarHBondContact O-N 2.68Å
27	R	43.3	Very low	45.2	Very low	216 Å²	216	116.5 Å²	116.5	82%	0.815	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	-24	-177.3	-135.7	-177.4	-84.1	-155.5	-2.3	114.2	I24	I24-R27 PolarHBondContact O-N 3.28Å
28	F	45.5	Very low	44.8	Very low	71 Å²	71	115.9 Å²	115.9	31%	0.311	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.2	-20.5	173.5	-87.1	-116.9	0	0	0	114.2	Y20 I24 L30 H31 Y32	Y20-F28 AromaticContact CE1-CD1 3.83Å; Y20-F28 HydrophobicContact CE1-CD1 3.83Å; Y20-F28 AromaticContact CE1-CE1 3.83Å; Y20-F28 HydrophobicContact CE1-CE1 3.83Å; Y20-F28 AromaticContact CZ-CE1 3.65Å; Y20-F28 WeakPolarHBondContact OH-CE1 3.1Å; I24-F28 HydrophobicContact CB-CB 4.46Å; I24-F28 HydrophobicContact CB-CD2 3.91Å; I24-F28 HydrophobicContact CB-CE2 4.34Å; I24-F28 HydrophobicContact CB-CG 4.33Å; I24-F28 HydrophobicContact CD1-CD2 4.25Å; I24-F28 HydrophobicContact CD1-CE2 3.8Å; I24-F28 HydrophobicContact CD1-CZ 4.11Å; I24-F28 HydrophobicContact CG1-CD2 3.75Å; I24-F28 HydrophobicContact CG1-CE2 3.68Å; I24-F28 HydrophobicContact CG1-CZ 4.47Å; I24-F28 HydrophobicContact CG2-CB 3.41Å; I24-F28 VanDerWaalsContact CG2-CB 3.41Å; I24-F28 HydrophobicContact CG2-CD1 3.94Å; I24-F28 HydrophobicContact CG2-CD2 3.4Å; I24-F28 VanDerWaalsContact CG2-CD2 3.4Å; I24-F28 HydrophobicContact CG2-CE1 4.49Å; I24-F28 HydrophobicContact CG2-CE2 3.98Å; I24-F28 HydrophobicContact CG2-CG 3.35Å; I24-F28 HydrophobicContact CG2-CZ 4.48Å; I24-F28 WeakPolarHBondContact O-CA 3.34Å; I24-F28 WeakPolarHBondContact O-CB 3.45Å; I24-F28 PolarHBondContact O-N 2.68Å; F28-L30 PolarHBondContact O-N 2.87Å; F28-H31 PolarHBondContact O-N 3.39Å; F28-H31 VanDerWaalsContact O-N 3.09Å; F28-Y32 WeakPolarHBondContact O-CB 3.04Å; F28-Y32 PolarHBondContact O-N 3.41Å
29	T	46.7	Very low	44.7	Very low	72 Å²	72	121.7 Å²	121.7	44%	0.442	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.4	-15.5	173.7	49.7	0	0	0	0	112.9	T25 R33	T25-T29 HydrophobicContact CG2-CG2 4.14Å; T25-T29 WeakPolarHBondContact O-CB 3.17Å; T25-T29 WeakPolarHBondContact O-CG2 3.46Å; T25-T29 PolarHBondContact O-OG1 3.38Å; T29-R33 WeakPolarHBondContact O-CB 3.49Å
30	L	42.3	Very low	44.7	Very low	129 Å²	129	123.5 Å²	123.5	68%	0.675	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-19.2	168.6	-69.1	172.8	0	0	0	113.5	F28	F28-L30 PolarHBondContact O-N 2.87Å
31	H	42.9	Very low	45.3	Very low	142 Å²	142	120.9 Å²	120.9	66%	0.657	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-28.3	-179.8	-147.9	57.1	0	0	0	113.4	F28	F28-H31 PolarHBondContact O-N 3.39Å; F28-H31 VanDerWaalsContact O-N 3.09Å
32	Y	44.5	Very low	46.1	Very low	126 Å²	126	119.7 Å²	119.7	49%	0.494	59%	0.586	S	S	.	*	S	Bend	trans	-93.8	-23.2	-179.3	-162.3	-98.4	0	0	0	112.7	F28 N34 N35	F28-Y32 WeakPolarHBondContact O-CB 3.04Å; F28-Y32 PolarHBondContact O-N 3.41Å; Y32-N34 PolarHBondContact O-N 2.7Å; Y32-N35 PolarHBondContact O-N 3.18Å
33	R	39.3	Very low	47.3	Very low	209 Å²	209	120.8 Å²	120.8	79%	0.789	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-17	177.5	-161.2	178.8	-140.8	165.2	4.8	113.5	T29	T29-R33 WeakPolarHBondContact O-CB 3.49Å
34	N	46.9	Very low	48.6	Very low	138 Å²	138	117 Å²	117	74%	0.738	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-3.7	176.1	-69.8	-20.1	0	0	0	113.7	Y32	Y32-N34 PolarHBondContact O-N 2.7Å
35	N	43.3	Very low	49.8	Very low	110 Å²	110	118.6 Å²	118.6	59%	0.588	58%	0.584	S	S	*	*	S	Bend	trans	-115.3	95.7	173.3	-102.9	-8.9	0	0	0	108.1	Y32	Y32-N35 PolarHBondContact O-N 3.18Å
36	S	43.9	Very low	51.3	Low	89 Å²	89	117 Å²	117	62%	0.622	58%	0.575	S	S	*	*			trans	-43.6	146.4	159.4	52	0	0	0	0	109.7	D38	S36-D38 PolarHBondContact O-N 3.05Å
37	L	45.8	Very low	52.9	Low	156 Å²	156	114 Å²	114	82%	0.817	56%	0.555	S	S	*	*			trans	-55.6	74.1	157.3	-77.2	145.2	0	0	0	108.6
38	D	42.3	Very low	54.3	Low	92 Å²	92	108.4 Å²	108.4	49%	0.492	54%	0.537	S	S	.	.			trans	-93.8	134.9	174.6	-176.3	37.4	0	0	0	107.6	S36 T40 N41	S36-D38 PolarHBondContact O-N 3.05Å; D38-T40 PolarHBondContact O-N 3.13Å; D38-T40 PolarHBondContact OD2-OG1 3.26Å; D38-N41 WeakPolarHBondContact O-CB 3.34Å; D38-N41 PolarHBondContact O-N 2.92Å
39	K	48.5	Very low	55.7	Low	184 Å²	184	105.6 Å²	105.6	80%	0.8	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-18.1	-166.9	-151.5	170.7	-179.2	-179.9	0	113.5	N41 T42	K39-N41 VanDerWaalsContact C-N 3.28Å; K39-N41 PolarHBondContact O-N 2.75Å; K39-T42 PolarHBondContact O-OG1 3.29Å
40	T	47.7	Very low	57.1	Low	103 Å²	103	105 Å²	105	63%	0.632	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.8	174	-35.2	0	0	0	0	114.2	D38	D38-T40 PolarHBondContact O-N 3.13Å; D38-T40 PolarHBondContact OD2-OG1 3.26Å
41	N	58.9	Low	58.6	Low	50 Å²	50	103.6 Å²	103.6	27%	0.267	51%	0.511	S	S	.	.	H	α-helix	trans	-80.2	-14.1	-177.3	-153	-3.8	0	0	0	113.7	D38 K39 L45	D38-N41 WeakPolarHBondContact O-CB 3.34Å; D38-N41 PolarHBondContact O-N 2.92Å; K39-N41 VanDerWaalsContact C-N 3.28Å; K39-N41 PolarHBondContact O-N 2.75Å; N41-L45 HydrophobicContact CB-CD1 4.47Å; N41-L45 VanDerWaalsContact O-CB 3.3Å; N41-L45 WeakPolarHBondContact O-CB 3.46Å; N41-L45 WeakPolarHBondContact O-CD1 3.09Å; N41-L45 WeakPolarHBondContact O-CG 3.39Å; N41-L45 PolarHBondContact O-N 3.3Å
42	T	62.2	Low	60	Low	76 Å²	76	100.6 Å²	100.6	47%	0.466	50%	0.502	S	S	.	.	H	α-helix	trans	-68.7	-41.4	-176.1	53.5	0	0	0	0	113.1	K39 L45 C46	K39-T42 PolarHBondContact O-OG1 3.29Å; T42-L45 PolarHBondContact O-N 2.98Å; T42-C46 WeakPolarHBondContact O-CB 3.44Å; T42-C46 PolarHBondContact O-N 3.35Å
43	I	72.3	Confident	61.2	Low	135 Å²	135	94.8 Å²	94.8	69%	0.692	48%	0.48	S	S	*	.	H	α-helix	trans	-66.7	-42.7	177.3	-61.1	172.9	0	0	0	110.6	C46 R47	I43-C46 PolarHBondContact O-N 2.91Å; I43-R47 WeakPolarHBondContact O-CB 3.33Å; I43-R47 PolarHBondContact O-N 2.84Å
44	E	74	Confident	62.7	Low	83 Å²	83	86.2 Å²	86.2	39%	0.388	46%	0.457	S	S	.	.	H	α-helix	trans	-60	-45.8	175.1	-89	-99.8	123	0	0	111.8	R47 K48	E44-R47 PolarHBondContact O-N 3.43Å; E44-R47 IonicContact OE1-NH2 3.77Å; E44-K48 WeakPolarHBondContact O-CB 3.27Å; E44-K48 VanDerWaalsContact O-CG 3.28Å; E44-K48 WeakPolarHBondContact O-CG 3.12Å; E44-K48 PolarHBondContact O-N 3.28Å; E44-K48 IonicContact OE2-NZ 2.94Å; E44-K48 PolarHBondContact OE2-NZ 2.9Å
45	L	70.8	Confident	63.7	Low	68 Å²	68	86.4 Å²	86.4	36%	0.356	45%	0.448	S	S	.	.	H	α-helix	trans	-65.9	-42.2	176.9	-72.3	168.8	0	0	0	111.8	N41 T42 K48 C49	N41-L45 HydrophobicContact CB-CD1 4.47Å; N41-L45 VanDerWaalsContact O-CB 3.3Å; N41-L45 WeakPolarHBondContact O-CB 3.46Å; N41-L45 WeakPolarHBondContact O-CD1 3.09Å; N41-L45 WeakPolarHBondContact O-CG 3.39Å; N41-L45 PolarHBondContact O-N 3.3Å; T42-L45 PolarHBondContact O-N 2.98Å; L45-K48 PolarHBondContact O-N 3.03Å; L45-C49 WeakPolarHBondContact O-CB 3.47Å; L45-C49 PolarHBondContact O-N 3.44Å
46	C	74.6	Confident	64.8	Low	24 Å²	24	82.6 Å²	82.6	16%	0.162	43%	0.428	C	S	.	.	H	α-helix	trans	-58.3	-50.6	174.2	178	0	0	0	0	111.2	T42 I43 K48 C49 Q50 L116 C117	T42-C46 WeakPolarHBondContact O-CB 3.44Å; T42-C46 PolarHBondContact O-N 3.35Å; I43-C46 PolarHBondContact O-N 2.91Å; C46-K48 PolarHBondContact O-N 3.35Å; C46-C49 WeakPolarHBondContact O-CB 3.35Å; C46-C49 PolarHBondContact O-N 2.97Å; C46-Q50 WeakPolarHBondContact O-CG 3.36Å; C46-Q50 PolarHBondContact O-N 3.44Å; C46-L116 VanDerWaalsContact CA-O 3.25Å; C46-L116 WeakPolarHBondContact CA-O 3.19Å; C46-L116 WeakPolarHBondContact CB-O 3.45Å; C46-L116 PolarHBondContact N-O 3.35Å; C46-C117 WeakPolarHBondContact CA-SG 3.13Å; C46-C117 HydrophobicContact CB-CB 3.94Å; C46-C117 WeakPolarHBondContact CB-SG 3.17Å; C46-C117 WeakPolarHBondContact SG-CB 3.45Å; C46-C117 CovalentContact SG-SG 2.03Å; C46-C117 PolarHBondContact SG-SG 2.78Å
47	R	75.6	Confident	66	Low	122 Å²	122	80.7 Å²	80.7	46%	0.46	41%	0.409	S	S	.	.	H	α-helix	trans	-61.2	-43.7	178.6	-171.4	-176.1	70.6	89.6	-1.9	111.7	I43 E44 C49 Q50 L51	I43-R47 WeakPolarHBondContact O-CB 3.33Å; I43-R47 PolarHBondContact O-N 2.84Å; E44-R47 PolarHBondContact O-N 3.43Å; E44-R47 IonicContact OE1-NH2 3.77Å; R47-C49 VanDerWaalsContact C-N 3.34Å; R47-Q50 PolarHBondContact O-N 2.81Å; R47-L51 HydrophobicContact CG-CD1 4.2Å; R47-L51 VanDerWaalsContact NH1-CD1 3.32Å; R47-L51 WeakPolarHBondContact O-CB 3.41Å; R47-L51 VanDerWaalsContact O-CG 3.28Å; R47-L51 WeakPolarHBondContact O-CG 3.1Å; R47-L51 PolarHBondContact O-N 2.9Å
48	K	73.2	Confident	67	Low	97 Å²	97	76.3 Å²	76.3	42%	0.422	39%	0.391	S	S	.	.	H	α-helix	trans	-60.9	-44.6	175.9	-77.9	169.2	-178.3	156.8	0	110.9	E44 L45 C46 L51 T52	E44-K48 WeakPolarHBondContact O-CB 3.27Å; E44-K48 VanDerWaalsContact O-CG 3.28Å; E44-K48 WeakPolarHBondContact O-CG 3.12Å; E44-K48 PolarHBondContact O-N 3.28Å; E44-K48 IonicContact OE2-NZ 2.94Å; E44-K48 PolarHBondContact OE2-NZ 2.9Å; L45-K48 PolarHBondContact O-N 3.03Å; C46-K48 PolarHBondContact O-N 3.35Å; K48-L51 PolarHBondContact O-N 2.81Å; K48-T52 WeakPolarHBondContact O-CB 3.24Å; K48-T52 PolarHBondContact O-N 3.21Å; K48-T52 PolarHBondContact O-OG1 2.85Å
49	C	73.4	Confident	68	Low	12 Å²	12	72.7 Å²	72.7	8%	0.081	37%	0.373	C	S	.	.	H	α-helix	trans	-60.3	-48.1	175.6	178.2	0	0	0	0	112	L45 C46 R47 L51 T52 M53 C111 L116	L45-C49 WeakPolarHBondContact O-CB 3.47Å; L45-C49 PolarHBondContact O-N 3.44Å; C46-C49 WeakPolarHBondContact O-CB 3.35Å; C46-C49 PolarHBondContact O-N 2.97Å; R47-C49 VanDerWaalsContact C-N 3.34Å; C49-L51 VanDerWaalsContact C-N 3.32Å; C49-L51 PolarHBondContact O-N 2.73Å; C49-T52 PolarHBondContact O-N 2.91Å; C49-M53 WeakPolarHBondContact O-CB 3.48Å; C49-M53 WeakPolarHBondContact O-CG 3.26Å; C49-M53 PolarHBondContact O-N 3.5Å; C49-C111 HydrophobicContact CB-CB 3.81Å; C49-C111 WeakPolarHBondContact CB-SG 3.42Å; C49-C111 WeakPolarHBondContact SG-CA 3.29Å; C49-C111 WeakPolarHBondContact SG-CB 3.22Å; C49-C111 CovalentContact SG-SG 2.02Å; C49-C111 PolarHBondContact SG-SG 3.22Å; C49-L116 HydrophobicContact CB-CB 4.09Å; C49-L116 HydrophobicContact CB-CD1 3.72Å
50	Q	76.9	Confident	68.8	Low	61 Å²	61	64.7 Å²	64.7	29%	0.285	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-41.6	179.4	-73.3	173.3	-36.2	0	0	111.8	C46 R47 M53 G54 T108 C111	C46-Q50 WeakPolarHBondContact O-CG 3.36Å; C46-Q50 PolarHBondContact O-N 3.44Å; R47-Q50 PolarHBondContact O-N 2.81Å; Q50-M53 PolarHBondContact O-N 3.39Å; Q50-G54 PolarHBondContact O-N 3.19Å; Q50-T108 PolarHBondContact NE2-OG1 3.09Å; Q50-C111 PolarHBondContact N-SG 2.68Å
51	L	73.9	Confident	69.5	Low	98 Å²	98	62.3 Å²	62.3	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-45.2	175.8	-74.7	172.4	0	0	0	111.8	R47 K48 C49 M53 G54 Y55	R47-L51 HydrophobicContact CG-CD1 4.2Å; R47-L51 VanDerWaalsContact NH1-CD1 3.32Å; R47-L51 WeakPolarHBondContact O-CB 3.41Å; R47-L51 VanDerWaalsContact O-CG 3.28Å; R47-L51 WeakPolarHBondContact O-CG 3.1Å; R47-L51 PolarHBondContact O-N 2.9Å; K48-L51 PolarHBondContact O-N 2.81Å; C49-L51 VanDerWaalsContact C-N 3.32Å; C49-L51 PolarHBondContact O-N 2.73Å; L51-M53 VanDerWaalsContact C-N 3.34Å; L51-M53 PolarHBondContact O-N 2.8Å; L51-G54 PolarHBondContact O-N 3.38Å; L51-Y55 WeakPolarHBondContact O-CB 3.03Å; L51-Y55 PolarHBondContact O-N 3.48Å
52	T	72.2	Confident	69.6	Low	79 Å²	79	65 Å²	65	49%	0.485	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-45.1	175.9	-60.6	0	0	0	0	110.5	K48 C49 G54 Y55 L56	K48-T52 WeakPolarHBondContact O-CB 3.24Å; K48-T52 PolarHBondContact O-N 3.21Å; K48-T52 PolarHBondContact O-OG1 2.85Å; C49-T52 PolarHBondContact O-N 2.91Å; T52-G54 PolarHBondContact O-N 3.24Å; T52-Y55 WeakPolarHBondContact O-CB 3.04Å; T52-Y55 PolarHBondContact O-N 3.36Å; T52-L56 HydrophobicContact CG2-CD1 3.99Å; T52-L56 HydrophobicContact CG2-CG 4.34Å; T52-L56 WeakPolarHBondContact O-CB 3.36Å; T52-L56 VanDerWaalsContact O-CG 3.23Å; T52-L56 WeakPolarHBondContact O-CG 3.29Å; T52-L56 PolarHBondContact O-N 3.48Å
53	M	70.7	Confident	69.6	Low	5 Å²	5	64.6 Å²	64.6	3%	0.025	33%	0.327	C	S	.	.	H	α-helix	trans	-63.7	-41.2	177.1	-75.3	-59.5	-63.5	0	0	112.5	C49 Q50 L51 Y55 L56 Q57 I102 S107 F110	C49-M53 WeakPolarHBondContact O-CB 3.48Å; C49-M53 WeakPolarHBondContact O-CG 3.26Å; C49-M53 PolarHBondContact O-N 3.5Å; Q50-M53 PolarHBondContact O-N 3.39Å; L51-M53 VanDerWaalsContact C-N 3.34Å; L51-M53 PolarHBondContact O-N 2.8Å; M53-Y55 VanDerWaalsContact C-N 3.35Å; M53-L56 PolarHBondContact O-N 3.48Å; M53-L56 HydrophobicContact SD-CD1 4.16Å; M53-Q57 WeakPolarHBondContact O-CB 3.1Å; M53-Q57 WeakPolarHBondContact O-CG 3.23Å; M53-Q57 PolarHBondContact O-N 2.76Å; M53-I102 HydrophobicContact CE-CG1 4.08Å; M53-I102 HydrophobicContact CE-CG2 4.4Å; M53-S107 VanDerWaalsContact CB-CB 3.49Å; M53-F110 HydrophobicContact CE-CB 3.73Å; M53-F110 HydrophobicContact CE-CD1 3.89Å; M53-F110 HydrophobicContact CE-CD2 4.06Å; M53-F110 HydrophobicContact CE-CG 3.61Å; M53-F110 HydrophobicContact CG-CB 4.3Å; M53-F110 HydrophobicContact CG-CD1 3.6Å; M53-F110 HydrophobicContact CG-CE1 4.27Å; M53-F110 HydrophobicContact CG-CG 4.19Å; M53-F110 HydrophobicContact SD-CB 4.27Å; M53-F110 HydrophobicContact SD-CD1 3.3Å; M53-F110 WeakPolarHBondContact SD-CD1 2.99Å; M53-F110 HydrophobicContact SD-CD2 4.35Å; M53-F110 HydrophobicContact SD-CE1 3.6Å; M53-F110 VanDerWaalsContact SD-CE1 3.6Å; M53-F110 HydrophobicContact SD-CG 3.71Å; M53-F110 HydrophobicContact SD-CZ 4.24Å
54	G	70.8	Confident	69.1	Low	29 Å²	29	59.4 Å²	59.4	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-64.8	-38.5	174.3	0	0	0	0	0	112.6	Q50 L51 T52 Q57 S58	Q50-G54 PolarHBondContact O-N 3.19Å; L51-G54 PolarHBondContact O-N 3.38Å; T52-G54 PolarHBondContact O-N 3.24Å; G54-Q57 PolarHBondContact O-N 3.42Å; G54-S58 WeakPolarHBondContact O-CB 3.38Å; G54-S58 PolarHBondContact O-N 3.4Å; G54-S58 PolarHBondContact O-OG 2.04Å
55	Y	67.9	Low	68.6	Low	141 Å²	141	62.7 Å²	62.7	55%	0.553	32%	0.316	S	S	*	.	H	α-helix	trans	-64.2	-43.4	172.8	-178.8	-98.1	0	0	0	111.5	L51 T52 M53 S58 T59	L51-Y55 WeakPolarHBondContact O-CB 3.03Å; L51-Y55 PolarHBondContact O-N 3.48Å; T52-Y55 WeakPolarHBondContact O-CB 3.04Å; T52-Y55 PolarHBondContact O-N 3.36Å; M53-Y55 VanDerWaalsContact C-N 3.35Å; Y55-S58 WeakPolarHBondContact CA-OG 3.37Å; Y55-S58 PolarHBondContact O-N 3.27Å; Y55-S58 PolarHBondContact O-OG 2.82Å; Y55-T59 HydrophobicContact CE1-CG2 4.34Å; Y55-T59 WeakPolarHBondContact CE2-OG1 3.45Å; Y55-T59 WeakPolarHBondContact O-CB 3.33Å; Y55-T59 PolarHBondContact O-N 3.34Å; Y55-T59 PolarHBondContact O-OG1 2.8Å
56	L	65.7	Low	68.1	Low	31 Å²	31	61.3 Å²	61.3	16%	0.162	31%	0.312	C	S	.	.	H	α-helix	trans	-64.2	-45.6	176.3	-70.1	171.1	0	0	0	110.8	T52 M53 S58 T59 I60	T52-L56 HydrophobicContact CG2-CD1 3.99Å; T52-L56 HydrophobicContact CG2-CG 4.34Å; T52-L56 WeakPolarHBondContact O-CB 3.36Å; T52-L56 VanDerWaalsContact O-CG 3.23Å; T52-L56 WeakPolarHBondContact O-CG 3.29Å; T52-L56 PolarHBondContact O-N 3.48Å; M53-L56 PolarHBondContact O-N 3.48Å; M53-L56 HydrophobicContact SD-CD1 4.16Å; L56-S58 PolarHBondContact O-N 2.88Å; L56-T59 PolarHBondContact O-N 3.47Å; L56-I60 HydrophobicContact CB-CD1 4.04Å; L56-I60 HydrophobicContact CB-CG1 4.43Å; L56-I60 HydrophobicContact CD2-CD1 3.59Å; L56-I60 HydrophobicContact CD2-CG1 4.14Å; L56-I60 HydrophobicContact CG-CD1 4.34Å; L56-I60 WeakPolarHBondContact O-CA 3.41Å; L56-I60 WeakPolarHBondContact O-CB 3.27Å; L56-I60 WeakPolarHBondContact O-CG1 3.08Å; L56-I60 PolarHBondContact O-N 2.88Å
57	Q	67.9	Low	67.3	Low	48 Å²	48	69.9 Å²	69.9	22%	0.224	35%	0.35	C	S	.	.	H	α-helix	trans	-58.1	-48.8	175.7	-76.5	175.2	-27.4	0	0	111.4	M53 G54 T59 I61 I102 T105	M53-Q57 WeakPolarHBondContact O-CB 3.1Å; M53-Q57 WeakPolarHBondContact O-CG 3.23Å; M53-Q57 PolarHBondContact O-N 2.76Å; G54-Q57 PolarHBondContact O-N 3.42Å; Q57-T59 VanDerWaalsContact C-N 3.34Å; Q57-T59 PolarHBondContact O-N 2.93Å; Q57-I61 HydrophobicContact CB-CD1 4.49Å; Q57-I61 VanDerWaalsContact O-CB 3.24Å; Q57-I61 WeakPolarHBondContact O-CB 3.26Å; Q57-I61 VanDerWaalsContact O-CD1 3.26Å; Q57-I61 WeakPolarHBondContact O-CD1 3.46Å; Q57-I61 WeakPolarHBondContact O-CG1 3.49Å; Q57-I61 PolarHBondContact O-N 3.2Å; Q57-I102 HydrophobicContact CB-CG2 4.37Å; Q57-I102 HydrophobicContact CG-CG2 3.41Å; Q57-I102 VanDerWaalsContact CG-CG2 3.41Å; Q57-I102 PolarHBondContact NE2-O 3.27Å; Q57-T105 PolarHBondContact NE2-O 3.25Å; Q57-T105 VanDerWaalsContact NE2-O 3.09Å
58	S	67.9	Low	66.7	Low	64 Å²	64	67.3 Å²	67.3	45%	0.448	35%	0.348	S	S	.	.	H	α-helix	trans	-70.4	-27	179.8	56.3	0	0	0	0	114	G54 Y55 L56 N62	G54-S58 WeakPolarHBondContact O-CB 3.38Å; G54-S58 PolarHBondContact O-N 3.4Å; G54-S58 PolarHBondContact O-OG 2.04Å; Y55-S58 WeakPolarHBondContact CA-OG 3.37Å; Y55-S58 PolarHBondContact O-N 3.27Å; Y55-S58 PolarHBondContact O-OG 2.82Å; L56-S58 PolarHBondContact O-N 2.88Å; S58-N62 PolarHBondContact O-ND2 3.5Å
59	T	64.1	Low	66.3	Low	17 Å²	17	63.6 Å²	63.6	10%	0.104	33%	0.333	C	S	.	.	H	α-helix	trans	-97.6	-45	-175	-56.9	0	0	0	0	112.2	Y55 L56 Q57 K63 W72	Y55-T59 HydrophobicContact CE1-CG2 4.34Å; Y55-T59 WeakPolarHBondContact CE2-OG1 3.45Å; Y55-T59 WeakPolarHBondContact O-CB 3.33Å; Y55-T59 PolarHBondContact O-N 3.34Å; Y55-T59 PolarHBondContact O-OG1 2.8Å; L56-T59 PolarHBondContact O-N 3.47Å; Q57-T59 VanDerWaalsContact C-N 3.34Å; Q57-T59 PolarHBondContact O-N 2.93Å; T59-K63 HydrophobicContact CG2-CD 3.7Å; T59-K63 VanDerWaalsContact CG2-CE 3.48Å; T59-K63 HydrophobicContact CG2-CG 4.42Å; T59-K63 WeakPolarHBondContact O-CB 3.23Å; T59-K63 WeakPolarHBondContact O-CG 3.29Å; T59-K63 PolarHBondContact O-N 3.25Å; T59-W72 HydrophobicContact CG2-CZ2 4.45Å
60	I	64.1	Low	65.9	Low	16 Å²	16	66.4 Å²	66.4	8%	0.082	36%	0.358	C	S	.	.	H	α-helix	trans	-68	-44.8	-179.1	-67.3	-175.6	0	0	0	110.1	L56 N62 K63 I64 W72 A99 I102	L56-I60 HydrophobicContact CB-CD1 4.04Å; L56-I60 HydrophobicContact CB-CG1 4.43Å; L56-I60 HydrophobicContact CD2-CD1 3.59Å; L56-I60 HydrophobicContact CD2-CG1 4.14Å; L56-I60 HydrophobicContact CG-CD1 4.34Å; L56-I60 WeakPolarHBondContact O-CA 3.41Å; L56-I60 WeakPolarHBondContact O-CB 3.27Å; L56-I60 WeakPolarHBondContact O-CG1 3.08Å; L56-I60 PolarHBondContact O-N 2.88Å; I60-N62 PolarHBondContact O-N 3.34Å; I60-K63 CarbonylContact O-C 3.58Å; I60-K63 PolarHBondContact O-N 3.25Å; I60-I64 HydrophobicContact CG2-CD1 3.22Å; I60-I64 HydrophobicContact CG2-CG1 3.76Å; I60-I64 VanDerWaalsContact O-CB 3.27Å; I60-I64 WeakPolarHBondContact O-CB 3.3Å; I60-I64 VanDerWaalsContact O-CG1 3.25Å; I60-I64 WeakPolarHBondContact O-CG1 3.46Å; I60-I64 PolarHBondContact O-N 2.85Å; I60-W72 HydrophobicContact CD1-CH2 4.23Å; I60-W72 HydrophobicContact CG1-CH2 3.96Å; I60-W72 HydrophobicContact CG1-CZ3 4.33Å; I60-A99 HydrophobicContact CG2-CB 4.48Å; I60-I102 HydrophobicContact CD1-CD1 3.84Å
61	I	61.6	Low	65.6	Low	52 Å²	52	67.4 Å²	67.4	27%	0.267	37%	0.371	S	S	.	.	H	α-helix	trans	-59.9	-52.5	-179.9	-64.5	173.1	0	0	0	109.8	Q57 K63 I64 E65	Q57-I61 HydrophobicContact CB-CD1 4.49Å; Q57-I61 VanDerWaalsContact O-CB 3.24Å; Q57-I61 WeakPolarHBondContact O-CB 3.26Å; Q57-I61 VanDerWaalsContact O-CD1 3.26Å; Q57-I61 WeakPolarHBondContact O-CD1 3.46Å; Q57-I61 WeakPolarHBondContact O-CG1 3.49Å; Q57-I61 PolarHBondContact O-N 3.2Å; I61-K63 PolarHBondContact O-N 3.47Å; I61-I64 PolarHBondContact O-N 2.73Å; I61-E65 WeakPolarHBondContact O-CB 3.4Å; I61-E65 WeakPolarHBondContact O-CG 3.4Å; I61-E65 PolarHBondContact O-N 3.08Å
62	N	61.7	Low	65.4	Low	107 Å²	107	64.5 Å²	64.5	57%	0.572	35%	0.353	S	S	*	.	H	α-helix	trans	-60.3	-33.3	178.3	-74.3	-30.3	0	0	0	113	S58 I60 S66	S58-N62 PolarHBondContact O-ND2 3.5Å; I60-N62 PolarHBondContact O-N 3.34Å; N62-S66 WeakPolarHBondContact O-CB 3.44Å; N62-S66 PolarHBondContact O-N 3.26Å; N62-S66 PolarHBondContact O-OG 3.32Å
63	K	61.8	Low	65.2	Low	68 Å²	68	61.1 Å²	61.1	30%	0.296	33%	0.332	S	S	.	.	H	α-helix	trans	-89.2	-22.6	-177.7	-72.1	-178.2	-178.4	-71.5	0	114.8	T59 I60 I61 S66 T69 W72	T59-K63 HydrophobicContact CG2-CD 3.7Å; T59-K63 VanDerWaalsContact CG2-CE 3.48Å; T59-K63 HydrophobicContact CG2-CG 4.42Å; T59-K63 WeakPolarHBondContact O-CB 3.23Å; T59-K63 WeakPolarHBondContact O-CG 3.29Å; T59-K63 PolarHBondContact O-N 3.25Å; I60-K63 CarbonylContact O-C 3.58Å; I60-K63 PolarHBondContact O-N 3.25Å; I61-K63 PolarHBondContact O-N 3.47Å; K63-S66 WeakPolarHBondContact CA-OG 3.3Å; K63-S66 PolarHBondContact O-OG 3.49Å; K63-S66 VanDerWaalsContact O-OG 3.09Å; K63-T69 PolarHBondContact O-N 3.23Å; K63-T69 PolarHBondContact O-OG1 3.21Å; K63-W72 HydrophobicContact CD-CB 3.87Å; K63-W72 HydrophobicContact CD-CD2 3.84Å; K63-W72 HydrophobicContact CD-CG 3.35Å
64	I	62.1	Low	65.1	Low	25 Å²	25	64.9 Å²	64.9	13%	0.128	35%	0.35	C	S	.	.	H	α-helix	trans	-77.9	-40.5	171.5	-72.9	-177.6	0	0	0	109.9	I60 I61 S66 T69 V95 W96 A99	I60-I64 HydrophobicContact CG2-CD1 3.22Å; I60-I64 HydrophobicContact CG2-CG1 3.76Å; I60-I64 VanDerWaalsContact O-CB 3.27Å; I60-I64 WeakPolarHBondContact O-CB 3.3Å; I60-I64 VanDerWaalsContact O-CG1 3.25Å; I60-I64 WeakPolarHBondContact O-CG1 3.46Å; I60-I64 PolarHBondContact O-N 2.85Å; I61-I64 PolarHBondContact O-N 2.73Å; I64-S66 VanDerWaalsContact C-N 3.3Å; I64-T69 WeakPolarHBondContact CA-OG1 3.27Å; I64-T69 HydrophobicContact CG1-CG2 3.9Å; I64-V95 HydrophobicContact CD1-CG2 3.74Å; I64-V95 HydrophobicContact CG1-CG2 4.27Å; I64-W96 HydrophobicContact CG2-CE3 3.97Å; I64-W96 HydrophobicContact CG2-CH2 3.45Å; I64-W96 VanDerWaalsContact CG2-CH2 3.45Å; I64-W96 HydrophobicContact CG2-CZ2 4.42Å; I64-W96 HydrophobicContact CG2-CZ3 3.17Å; I64-A99 HydrophobicContact CD1-CB 3.32Å
65	E	63.4	Low	65	Low	152 Å²	152	65.8 Å²	65.8	71%	0.71	35%	0.354	S	S	*	.	H	α-helix	trans	-68.7	-31.7	175.8	-70.1	-178.6	169.5	0	0	111.9	I61	I61-E65 WeakPolarHBondContact O-CB 3.4Å; I61-E65 WeakPolarHBondContact O-CG 3.4Å; I61-E65 PolarHBondContact O-N 3.08Å
66	S	60.5	Low	64.9	Low	40 Å²	40	62.5 Å²	62.5	28%	0.28	35%	0.345	S	S	.	.	S	Bend	trans	-78.7	142.4	167.2	79.9	0	0	0	0	110.5	N62 K63 I64 T68 T69	N62-S66 WeakPolarHBondContact O-CB 3.44Å; N62-S66 PolarHBondContact O-N 3.26Å; N62-S66 PolarHBondContact O-OG 3.32Å; K63-S66 WeakPolarHBondContact CA-OG 3.3Å; K63-S66 PolarHBondContact O-OG 3.49Å; K63-S66 VanDerWaalsContact O-OG 3.09Å; I64-S66 VanDerWaalsContact C-N 3.3Å; S66-T68 PolarHBondContact O-N 3.49Å; S66-T68 PolarHBondContact OG-N 3.3Å; S66-T68 PolarHBondContact OG-OG1 2.81Å; S66-T69 PolarHBondContact O-OG1 3.49Å
67	Q	58.8	Low	65	Low	204 Å²	204	61 Å²	61	95%	0.953	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	17.4	173.8	-62.2	178.6	17.3	0	0	114.2
68	T	62.2	Low	65.1	Low	67 Å²	67	64.3 Å²	64.3	41%	0.411	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	6.6	-176.9	71.8	0	0	0	0	113.7	S66 A70 S71 W72	S66-T68 PolarHBondContact O-N 3.49Å; S66-T68 PolarHBondContact OG-N 3.3Å; S66-T68 PolarHBondContact OG-OG1 2.81Å; T68-A70 VanDerWaalsContact C-N 3.33Å; T68-A70 PolarHBondContact O-N 2.87Å; T68-S71 PolarHBondContact O-N 2.84Å; T68-W72 PolarHBondContact O-N 3.42Å; T68-W72 VanDerWaalsContact O-N 3.13Å
69	T	64.7	Low	65.1	Low	19 Å²	19	66.3 Å²	66.3	12%	0.117	36%	0.356	C	S	.	.	H	α-helix	trans	-57.1	-44.3	-175.3	-34.9	0	0	0	0	112	K63 I64 S66 S71 W72 I73 V95	K63-T69 PolarHBondContact O-N 3.23Å; K63-T69 PolarHBondContact O-OG1 3.21Å; I64-T69 WeakPolarHBondContact CA-OG1 3.27Å; I64-T69 HydrophobicContact CG1-CG2 3.9Å; S66-T69 PolarHBondContact O-OG1 3.49Å; T69-S71 PolarHBondContact O-N 3.13Å; T69-W72 PolarHBondContact O-N 3.05Å; T69-I73 HydrophobicContact CG2-CD1 3.82Å; T69-I73 HydrophobicContact CG2-CG1 4.31Å; T69-I73 WeakPolarHBondContact O-CB 3.5Å; T69-I73 WeakPolarHBondContact O-CG1 3.09Å; T69-I73 PolarHBondContact O-N 3.4Å; T69-V95 HydrophobicContact CG2-CG2 4.45Å
70	A	66.3	Low	65	Low	72 Å²	72	66.5 Å²	66.5	60%	0.595	36%	0.357	S	S	*	.	H	α-helix	trans	-60.4	-46.5	-179.1	0	0	0	0	0	112.4	T68 W72 I73 E74	T68-A70 VanDerWaalsContact C-N 3.33Å; T68-A70 PolarHBondContact O-N 2.87Å; A70-W72 VanDerWaalsContact C-N 3.31Å; A70-W72 PolarHBondContact O-N 3.2Å; A70-I73 PolarHBondContact O-N 2.79Å; A70-E74 WeakPolarHBondContact O-CB 3.5Å; A70-E74 PolarHBondContact O-N 2.94Å
71	S	70.3	Confident	65.3	Low	81 Å²	81	68.1 Å²	68.1	57%	0.566	38%	0.378	S	S	*	.	H	α-helix	trans	-66.5	-33.8	179.2	-53.6	0	0	0	0	112.4	T68 T69 A75	T68-S71 PolarHBondContact O-N 2.84Å; T69-S71 PolarHBondContact O-N 3.13Å; S71-A75 VanDerWaalsContact O-CB 3.28Å; S71-A75 WeakPolarHBondContact O-CB 3.25Å; S71-A75 PolarHBondContact O-N 3.27Å
72	W	68	Low	65.8	Low	38 Å²	38	71.3 Å²	71.3	14%	0.144	41%	0.405	C	S	.	.	H	α-helix	trans	-71.4	-44.9	175.3	-179.4	77	0	0	0	112.1	T59 I60 K63 T68 T69 A70 E74 A75 M76	T59-W72 HydrophobicContact CG2-CZ2 4.45Å; I60-W72 HydrophobicContact CD1-CH2 4.23Å; I60-W72 HydrophobicContact CG1-CH2 3.96Å; I60-W72 HydrophobicContact CG1-CZ3 4.33Å; K63-W72 HydrophobicContact CD-CB 3.87Å; K63-W72 HydrophobicContact CD-CD2 3.84Å; K63-W72 HydrophobicContact CD-CG 3.35Å; T68-W72 PolarHBondContact O-N 3.42Å; T68-W72 VanDerWaalsContact O-N 3.13Å; T69-W72 PolarHBondContact O-N 3.05Å; A70-W72 VanDerWaalsContact C-N 3.31Å; A70-W72 PolarHBondContact O-N 3.2Å; W72-E74 VanDerWaalsContact C-N 3.3Å; W72-E74 PolarHBondContact O-N 3.04Å; W72-A75 PolarHBondContact O-N 3.01Å; W72-M76 HydrophobicContact CD2-CG 4Å; W72-M76 HydrophobicContact CE3-CG 4.37Å; W72-M76 HydrophobicContact CH2-CG 4.11Å; W72-M76 HydrophobicContact CZ2-CG 3.7Å; W72-M76 HydrophobicContact CZ2-SD 4.15Å; W72-M76 HydrophobicContact CZ3-CG 4.42Å; W72-M76 WeakPolarHBondContact O-CG 3.27Å; W72-M76 PolarHBondContact O-N 3Å
73	I	68.9	Low	66.3	Low	7 Å²	7	69.5 Å²	69.5	4%	0.036	39%	0.39	C	S	.	.	H	α-helix	trans	-56	-50.2	174.5	-69	170.2	0	0	0	109.3	T69 A70 A75 M76 C77 I91 V95	T69-I73 HydrophobicContact CG2-CD1 3.82Å; T69-I73 HydrophobicContact CG2-CG1 4.31Å; T69-I73 WeakPolarHBondContact O-CB 3.5Å; T69-I73 WeakPolarHBondContact O-CG1 3.09Å; T69-I73 PolarHBondContact O-N 3.4Å; A70-I73 PolarHBondContact O-N 2.79Å; I73-A75 VanDerWaalsContact C-N 3.33Å; I73-A75 PolarHBondContact O-N 3.08Å; I73-M76 PolarHBondContact O-N 3.19Å; I73-C77 VanDerWaalsContact O-CB 3.27Å; I73-C77 WeakPolarHBondContact O-CB 3.35Å; I73-C77 PolarHBondContact O-N 2.8Å; I73-C77 PolarHBondContact O-SG 2.84Å; I73-I91 HydrophobicContact CB-CG2 4.32Å; I73-I91 HydrophobicContact CD1-CB 4.49Å; I73-I91 HydrophobicContact CD1-CG2 3.66Å; I73-I91 HydrophobicContact CG1-CB 4.4Å; I73-I91 HydrophobicContact CG1-CG2 3.55Å; I73-I91 HydrophobicContact CG2-CB 3.77Å; I73-I91 HydrophobicContact CG2-CD1 4.28Å; I73-I91 HydrophobicContact CG2-CG2 3.89Å; I73-V95 HydrophobicContact CD1-CB 4.49Å; I73-V95 HydrophobicContact CD1-CG1 4.27Å
74	E	68.9	Low	66.4	Low	85 Å²	85	68 Å²	68	40%	0.397	39%	0.386	S	S	.	.	H	α-helix	trans	-61.2	-41.1	178.8	-166.5	-166.3	164.3	0	0	111.8	A70 W72 M76 C77 K78	A70-E74 WeakPolarHBondContact O-CB 3.5Å; A70-E74 PolarHBondContact O-N 2.94Å; W72-E74 VanDerWaalsContact C-N 3.3Å; W72-E74 PolarHBondContact O-N 3.04Å; E74-M76 PolarHBondContact O-N 3.42Å; E74-C77 PolarHBondContact O-N 3.15Å; E74-K78 HydrophobicContact CG-CD 4.43Å; E74-K78 WeakPolarHBondContact O-CB 3.28Å; E74-K78 VanDerWaalsContact O-CG 3.26Å; E74-K78 WeakPolarHBondContact O-CG 3.41Å; E74-K78 PolarHBondContact O-N 3.15Å; E74-K78 WeakPolarHBondContact OE1-CE 3.39Å; E74-K78 IonicContact OE1-NZ 2.68Å; E74-K78 PolarHBondContact OE1-NZ 2.94Å
75	A	68.6	Low	66.9	Low	47 Å²	47	73.5 Å²	73.5	39%	0.388	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-39.8	176.9	0	0	0	0	0	112.3	S71 W72 I73	S71-A75 VanDerWaalsContact O-CB 3.28Å; S71-A75 WeakPolarHBondContact O-CB 3.25Å; S71-A75 PolarHBondContact O-N 3.27Å; W72-A75 PolarHBondContact O-N 3.01Å; I73-A75 VanDerWaalsContact C-N 3.33Å; I73-A75 PolarHBondContact O-N 3.08Å
76	M	65.3	Low	67.2	Low	73 Å²	73	69.4 Å²	69.4	36%	0.36	40%	0.399	S	S	.	.	H	α-helix	trans	-69	-43.2	175.3	-66.8	-60	100.2	0	0	111	W72 I73 E74 K78 L79	W72-M76 HydrophobicContact CD2-CG 4Å; W72-M76 HydrophobicContact CE3-CG 4.37Å; W72-M76 HydrophobicContact CH2-CG 4.11Å; W72-M76 HydrophobicContact CZ2-CG 3.7Å; W72-M76 HydrophobicContact CZ2-SD 4.15Å; W72-M76 HydrophobicContact CZ3-CG 4.42Å; W72-M76 WeakPolarHBondContact O-CG 3.27Å; W72-M76 PolarHBondContact O-N 3Å; I73-M76 PolarHBondContact O-N 3.19Å; E74-M76 PolarHBondContact O-N 3.42Å; M76-K78 PolarHBondContact O-N 3.26Å; M76-L79 HydrophobicContact CE-CD1 4.36Å; M76-L79 VanDerWaalsContact O-CB 3.29Å; M76-L79 WeakPolarHBondContact O-CB 3.45Å; M76-L79 PolarHBondContact O-N 3.11Å; M76-L79 VanDerWaalsContact O-N 3.13Å
77	C	67.4	Low	67.7	Low	0 Å²	0	67.6 Å²	67.6	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-71.4	-27.9	-179.9	-68.6	0	0	0	0	113.3	I73 E74 L79 T80 N84 C87 S88 I91	I73-C77 VanDerWaalsContact O-CB 3.27Å; I73-C77 WeakPolarHBondContact O-CB 3.35Å; I73-C77 PolarHBondContact O-N 2.8Å; I73-C77 PolarHBondContact O-SG 2.84Å; E74-C77 PolarHBondContact O-N 3.15Å; C77-L79 PolarHBondContact O-N 3.26Å; C77-T80 PolarHBondContact O-N 3.43Å; C77-T80 PolarHBondContact O-OG1 3.14Å; C77-N84 VanDerWaalsContact C-OD1 3.23Å; C77-N84 WeakPolarHBondContact CB-OD1 2.98Å; C77-N84 VanDerWaalsContact O-CA 3.3Å; C77-N84 WeakPolarHBondContact O-CA 3.42Å; C77-N84 VanDerWaalsContact O-CB 3.27Å; C77-N84 WeakPolarHBondContact O-CB 3.3Å; C77-N84 PolarHBondContact O-OD1 3Å; C77-C87 WeakPolarHBondContact CA-SG 3.23Å; C77-C87 HydrophobicContact CB-CB 3.54Å; C77-C87 WeakPolarHBondContact CB-SG 3.38Å; C77-C87 WeakPolarHBondContact SG-CB 3.4Å; C77-C87 CovalentContact SG-SG 2.04Å; C77-C87 PolarHBondContact SG-SG 2.88Å; C77-S88 WeakPolarHBondContact CB-OG 3.43Å; C77-S88 PolarHBondContact SG-N 3.34Å; C77-I91 VanDerWaalsContact SG-CD1 3.55Å
78	K	71.3	Confident	68.2	Low	116 Å²	116	59.1 Å²	59.1	50%	0.504	35%	0.35	S	S	.	.	H	α-helix	trans	-59.8	-27.6	169.6	-83.2	172.6	-179	165.6	0	112.7	E74 M76 T80 G81 N84	E74-K78 HydrophobicContact CG-CD 4.43Å; E74-K78 WeakPolarHBondContact O-CB 3.28Å; E74-K78 VanDerWaalsContact O-CG 3.26Å; E74-K78 WeakPolarHBondContact O-CG 3.41Å; E74-K78 PolarHBondContact O-N 3.15Å; E74-K78 WeakPolarHBondContact OE1-CE 3.39Å; E74-K78 IonicContact OE1-NZ 2.68Å; E74-K78 PolarHBondContact OE1-NZ 2.94Å; M76-K78 PolarHBondContact O-N 3.26Å; K78-T80 PolarHBondContact O-N 2.85Å; K78-G81 PolarHBondContact O-N 3.46Å; K78-N84 WeakPolarHBondContact CG-ND2 3.32Å; K78-N84 PolarHBondContact N-OD1 3.24Å
79	L	68.2	Low	68.8	Low	107 Å²	107	58.6 Å²	58.6	56%	0.56	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-17	177.8	-59.5	174	0	0	0	112.9	M76 C77 G81	M76-L79 HydrophobicContact CE-CD1 4.36Å; M76-L79 VanDerWaalsContact O-CB 3.29Å; M76-L79 WeakPolarHBondContact O-CB 3.45Å; M76-L79 PolarHBondContact O-N 3.11Å; M76-L79 VanDerWaalsContact O-N 3.13Å; C77-L79 PolarHBondContact O-N 3.26Å; L79-G81 VanDerWaalsContact C-N 3.32Å
80	T	60.8	Low	69	Low	20 Å²	20	59.3 Å²	59.3	12%	0.123	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	8.1	-177.5	78.1	0	0	0	0	112.7	F15 C77 K78 S82 Y83 N84	F15-T80 HydrophobicContact CE2-CG2 3.62Å; F15-T80 HydrophobicContact CZ-CG2 3.65Å; C77-T80 PolarHBondContact O-N 3.43Å; C77-T80 PolarHBondContact O-OG1 3.14Å; K78-T80 PolarHBondContact O-N 2.85Å; T80-S82 PolarHBondContact O-N 2.77Å; T80-Y83 WeakPolarHBondContact O-CB 3.41Å; T80-Y83 PolarHBondContact O-N 2.99Å; T80-Y83 VanDerWaalsContact O-N 3.14Å; T80-Y83 VanDerWaalsContact OG1-C 3.24Å; T80-N84 PolarHBondContact OG1-N 3.31Å
81	G	70.5	Confident	69.1	Low	51 Å²	51	58 Å²	58	53%	0.526	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	60.5	-122	175.3	0	0	0	0	0	112.8	K78 L79 Y83 N84	K78-G81 PolarHBondContact O-N 3.46Å; L79-G81 VanDerWaalsContact C-N 3.32Å; G81-Y83 PolarHBondContact O-N 3.33Å; G81-Y83 VanDerWaalsContact O-N 3.15Å; G81-N84 VanDerWaalsContact O-CB 3.27Å; G81-N84 WeakPolarHBondContact O-CB 2.97Å; G81-N84 PolarHBondContact O-N 3.48Å; G81-N84 VanDerWaalsContact O-N 3.11Å
82	S	73.2	Confident	69.1	Low	119 Å²	119	58.3 Å²	58.3	83%	0.832	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-60.2	-22.6	179.9	52.1	0	0	0	0	113.5	T80 N84	T80-S82 PolarHBondContact O-N 2.77Å; S82-N84 VanDerWaalsContact C-N 3.27Å; S82-N84 PolarHBondContact O-N 3.46Å
83	Y	70.9	Confident	69.2	Low	68 Å²	68	62.1 Å²	62.1	27%	0.267	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-82.2	-1.3	179.6	-164.8	-103.5	0	0	0	113.6	F15 T80 G81 I85 T86 C87 L90	F15-Y83 HydrophobicContact CD2-CD1 4.28Å; F15-Y83 AromaticContact CD2-CE1 3.91Å; F15-Y83 HydrophobicContact CD2-CE1 3.91Å; F15-Y83 HydrophobicContact CE2-CD1 4.25Å; F15-Y83 HydrophobicContact CE2-CE1 4.23Å; T80-Y83 WeakPolarHBondContact O-CB 3.41Å; T80-Y83 PolarHBondContact O-N 2.99Å; T80-Y83 VanDerWaalsContact O-N 3.14Å; T80-Y83 VanDerWaalsContact OG1-C 3.24Å; G81-Y83 PolarHBondContact O-N 3.33Å; G81-Y83 VanDerWaalsContact O-N 3.15Å; Y83-I85 VanDerWaalsContact C-N 3.3Å; Y83-I85 PolarHBondContact O-N 3.4Å; Y83-T86 HydrophobicContact CD2-CG2 4.23Å; Y83-T86 HydrophobicContact CE1-CG2 4.25Å; Y83-T86 HydrophobicContact CE2-CG2 3.48Å; Y83-T86 VanDerWaalsContact CE2-CG2 3.48Å; Y83-T86 VanDerWaalsContact CZ-CG2 3.49Å; Y83-T86 PolarHBondContact O-N 3.21Å; Y83-T86 VanDerWaalsContact O-N 3.15Å; Y83-C87 HydrophobicContact CD1-CB 3.75Å; Y83-C87 HydrophobicContact CE1-CB 3.99Å; Y83-C87 WeakPolarHBondContact O-CB 3.39Å; Y83-C87 PolarHBondContact O-N 2.96Å; Y83-L90 HydrophobicContact CE1-CD1 4.35Å; Y83-L90 WeakPolarHBondContact OH-CD1 3.44Å
84	N	63.9	Low	69.1	Low	38 Å²	38	63.6 Å²	63.6	20%	0.203	36%	0.361	C	S	.	.	H	α-helix	trans	-52.8	-44.2	-173.8	177	16	0	0	0	113.5	C77 K78 T80 G81 S82 C87 S88	C77-N84 VanDerWaalsContact C-OD1 3.23Å; C77-N84 WeakPolarHBondContact CB-OD1 2.98Å; C77-N84 VanDerWaalsContact O-CA 3.3Å; C77-N84 WeakPolarHBondContact O-CA 3.42Å; C77-N84 VanDerWaalsContact O-CB 3.27Å; C77-N84 WeakPolarHBondContact O-CB 3.3Å; C77-N84 PolarHBondContact O-OD1 3Å; K78-N84 WeakPolarHBondContact CG-ND2 3.32Å; K78-N84 PolarHBondContact N-OD1 3.24Å; T80-N84 PolarHBondContact OG1-N 3.31Å; G81-N84 VanDerWaalsContact O-CB 3.27Å; G81-N84 WeakPolarHBondContact O-CB 2.97Å; G81-N84 PolarHBondContact O-N 3.48Å; G81-N84 VanDerWaalsContact O-N 3.11Å; S82-N84 VanDerWaalsContact C-N 3.27Å; S82-N84 PolarHBondContact O-N 3.46Å; N84-C87 PolarHBondContact O-N 2.88Å; N84-S88 WeakPolarHBondContact O-CB 3.17Å; N84-S88 PolarHBondContact O-N 2.87Å; N84-S88 PolarHBondContact O-OG 2.02Å; N84-S88 PolarHBondContact OD1-OG 2.9Å
85	I	72.9	Confident	68.8	Low	139 Å²	139	60.1 Å²	60.1	71%	0.713	35%	0.346	S	S	*	.	H	α-helix	trans	-64	-49	-179.1	-62	174.9	0	0	0	110.3	Y83 S88 A89	Y83-I85 VanDerWaalsContact C-N 3.3Å; Y83-I85 PolarHBondContact O-N 3.4Å; I85-S88 PolarHBondContact O-N 3.2Å; I85-A89 PolarHBondContact O-N 3.41Å
86	T	70.5	Confident	68.5	Low	66 Å²	66	65.5 Å²	65.5	41%	0.405	36%	0.356	S	S	.	.	H	α-helix	trans	-64.3	-44.2	179.1	-49.3	0	0	0	0	111.1	Y83 S88 A89 L90	Y83-T86 HydrophobicContact CD2-CG2 4.23Å; Y83-T86 HydrophobicContact CE1-CG2 4.25Å; Y83-T86 HydrophobicContact CE2-CG2 3.48Å; Y83-T86 VanDerWaalsContact CE2-CG2 3.48Å; Y83-T86 VanDerWaalsContact CZ-CG2 3.49Å; Y83-T86 PolarHBondContact O-N 3.21Å; Y83-T86 VanDerWaalsContact O-N 3.15Å; T86-S88 VanDerWaalsContact C-N 3.32Å; T86-S88 PolarHBondContact O-N 2.97Å; T86-A89 PolarHBondContact O-N 2.98Å; T86-L90 HydrophobicContact CG2-CD1 3.95Å; T86-L90 HydrophobicContact CG2-CG 4.36Å; T86-L90 WeakPolarHBondContact O-CB 3.11Å; T86-L90 VanDerWaalsContact O-CG 3.23Å; T86-L90 WeakPolarHBondContact O-CG 3.49Å; T86-L90 PolarHBondContact O-N 2.91Å
87	C	70.4	Confident	68.5	Low	2 Å²	2	65.2 Å²	65.2	1%	0.014	36%	0.356	C	S	.	.	H	α-helix	trans	-55.4	-47.7	173.5	173.4	0	0	0	0	111.3	F15 C77 Y83 N84 A89 L90 I91	F15-C87 HydrophobicContact CE2-CB 4.33Å; C77-C87 WeakPolarHBondContact CA-SG 3.23Å; C77-C87 HydrophobicContact CB-CB 3.54Å; C77-C87 WeakPolarHBondContact CB-SG 3.38Å; C77-C87 WeakPolarHBondContact SG-CB 3.4Å; C77-C87 CovalentContact SG-SG 2.04Å; C77-C87 PolarHBondContact SG-SG 2.88Å; Y83-C87 HydrophobicContact CD1-CB 3.75Å; Y83-C87 HydrophobicContact CE1-CB 3.99Å; Y83-C87 WeakPolarHBondContact O-CB 3.39Å; Y83-C87 PolarHBondContact O-N 2.96Å; N84-C87 PolarHBondContact O-N 2.88Å; C87-A89 PolarHBondContact O-N 3.39Å; C87-L90 PolarHBondContact O-N 2.93Å; C87-I91 WeakPolarHBondContact O-CB 3.42Å; C87-I91 VanDerWaalsContact O-CG1 3.29Å; C87-I91 WeakPolarHBondContact O-CG1 3.43Å; C87-I91 PolarHBondContact O-N 3.35Å
88	S	70.2	Confident	68.2	Low	26 Å²	26	66.4 Å²	66.4	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-66.1	-40.5	-177.9	-62.4	0	0	0	0	111.4	C77 N84 I85 T86 T92	C77-S88 WeakPolarHBondContact CB-OG 3.43Å; C77-S88 PolarHBondContact SG-N 3.34Å; N84-S88 WeakPolarHBondContact O-CB 3.17Å; N84-S88 PolarHBondContact O-N 2.87Å; N84-S88 PolarHBondContact O-OG 2.02Å; N84-S88 PolarHBondContact OD1-OG 2.9Å; I85-S88 PolarHBondContact O-N 3.2Å; T86-S88 VanDerWaalsContact C-N 3.32Å; T86-S88 PolarHBondContact O-N 2.97Å; S88-T92 WeakPolarHBondContact O-CB 3.45Å; S88-T92 PolarHBondContact O-N 2.83Å; S88-T92 PolarHBondContact O-OG1 3.4Å
89	A	74.7	Confident	67.8	Low	57 Å²	57	61.9 Å²	61.9	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-46.7	175.7	0	0	0	0	0	111.5	I85 T86 C87 T92 E93	I85-A89 PolarHBondContact O-N 3.41Å; T86-A89 PolarHBondContact O-N 2.98Å; C87-A89 PolarHBondContact O-N 3.39Å; A89-T92 PolarHBondContact O-N 3.39Å; A89-E93 WeakPolarHBondContact O-CB 3.24Å; A89-E93 PolarHBondContact O-N 3.03Å
90	L	67.8	Low	67.7	Low	33 Å²	33	63 Å²	63	17%	0.173	35%	0.352	C	S	.	.	H	α-helix	trans	-65	-49.4	178.8	-71.5	173.4	0	0	0	111.9	I11 Y83 T86 C87 T92 E93 Y94	I11-L90 HydrophobicContact CD1-CD2 3.87Å; I11-L90 HydrophobicContact CG2-CD1 3.76Å; Y83-L90 HydrophobicContact CE1-CD1 4.35Å; Y83-L90 WeakPolarHBondContact OH-CD1 3.44Å; T86-L90 HydrophobicContact CG2-CD1 3.95Å; T86-L90 HydrophobicContact CG2-CG 4.36Å; T86-L90 WeakPolarHBondContact O-CB 3.11Å; T86-L90 VanDerWaalsContact O-CG 3.23Å; T86-L90 WeakPolarHBondContact O-CG 3.49Å; T86-L90 PolarHBondContact O-N 2.91Å; C87-L90 PolarHBondContact O-N 2.93Å; L90-T92 VanDerWaalsContact C-N 3.3Å; L90-T92 PolarHBondContact O-N 3.12Å; L90-E93 PolarHBondContact O-N 2.98Å; L90-Y94 HydrophobicContact CD2-CD2 4.25Å; L90-Y94 HydrophobicContact CD2-CE2 3.91Å; L90-Y94 WeakPolarHBondContact O-CB 3.35Å; L90-Y94 WeakPolarHBondContact O-CD2 3.19Å; L90-Y94 PolarHBondContact O-N 3.34Å
91	I	69	Low	67.8	Low	45 Å²	45	64.7 Å²	64.7	23%	0.231	36%	0.363	C	S	.	.	H	α-helix	trans	-63.9	-41.1	178.4	-60	178.6	0	0	0	109.3	I73 C77 C87 E93 Y94 V95	I73-I91 HydrophobicContact CB-CG2 4.32Å; I73-I91 HydrophobicContact CD1-CB 4.49Å; I73-I91 HydrophobicContact CD1-CG2 3.66Å; I73-I91 HydrophobicContact CG1-CB 4.4Å; I73-I91 HydrophobicContact CG1-CG2 3.55Å; I73-I91 HydrophobicContact CG2-CB 3.77Å; I73-I91 HydrophobicContact CG2-CD1 4.28Å; I73-I91 HydrophobicContact CG2-CG2 3.89Å; C77-I91 VanDerWaalsContact SG-CD1 3.55Å; C87-I91 WeakPolarHBondContact O-CB 3.42Å; C87-I91 VanDerWaalsContact O-CG1 3.29Å; C87-I91 WeakPolarHBondContact O-CG1 3.43Å; C87-I91 PolarHBondContact O-N 3.35Å; I91-E93 VanDerWaalsContact C-N 3.34Å; I91-E93 PolarHBondContact O-N 2.83Å; I91-Y94 PolarHBondContact O-N 3Å; I91-V95 HydrophobicContact CG2-CB 3.88Å; I91-V95 HydrophobicContact CG2-CG2 4.24Å; I91-V95 VanDerWaalsContact O-CA 3.3Å; I91-V95 WeakPolarHBondContact O-CA 3.47Å; I91-V95 WeakPolarHBondContact O-CB 3.46Å; I91-V95 WeakPolarHBondContact O-CG1 3.44Å; I91-V95 PolarHBondContact O-N 3.36Å
92	T	70	Confident	67.5	Low	87 Å²	87	63 Å²	63	53%	0.534	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-40.8	177.3	-57.3	0	0	0	0	112.7	S88 A89 L90	S88-T92 WeakPolarHBondContact O-CB 3.45Å; S88-T92 PolarHBondContact O-N 2.83Å; S88-T92 PolarHBondContact O-OG1 3.4Å; A89-T92 PolarHBondContact O-N 3.39Å; L90-T92 VanDerWaalsContact C-N 3.3Å; L90-T92 PolarHBondContact O-N 3.12Å
93	E	69.5	Low	67.2	Low	119 Å²	119	64.1 Å²	64.1	56%	0.556	33%	0.333	S	S	*	.	H	α-helix	trans	-67.5	-37.7	178.1	-173.8	177.4	177	0	0	112.1	A89 L90 I91	A89-E93 WeakPolarHBondContact O-CB 3.24Å; A89-E93 PolarHBondContact O-N 3.03Å; L90-E93 PolarHBondContact O-N 2.98Å; I91-E93 VanDerWaalsContact C-N 3.34Å; I91-E93 PolarHBondContact O-N 2.83Å
94	Y	66.5	Low	66.9	Low	38 Å²	38	65.1 Å²	65.1	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-111.2	-9.8	-168.4	-66.5	-72.3	0	0	0	115.1	L8 I11 L90 I91 W96 N97 A98	L8-Y94 HydrophobicContact CD1-CD1 4.03Å; L8-Y94 HydrophobicContact CD2-CD1 3.43Å; L8-Y94 VanDerWaalsContact CD2-CD1 3.43Å; L8-Y94 HydrophobicContact CD2-CD2 4.11Å; L8-Y94 HydrophobicContact CD2-CE1 4.13Å; L8-Y94 HydrophobicContact CD2-CG 3.42Å; L8-Y94 VanDerWaalsContact CD2-CG 3.42Å; L8-Y94 HydrophobicContact CG-CD1 3.78Å; L8-Y94 HydrophobicContact CG-CE1 4.16Å; L8-Y94 HydrophobicContact CG-CG 4.3Å; I11-Y94 HydrophobicContact CD1-CE2 4.47Å; L90-Y94 HydrophobicContact CD2-CD2 4.25Å; L90-Y94 HydrophobicContact CD2-CE2 3.91Å; L90-Y94 WeakPolarHBondContact O-CB 3.35Å; L90-Y94 WeakPolarHBondContact O-CD2 3.19Å; L90-Y94 PolarHBondContact O-N 3.34Å; I91-Y94 PolarHBondContact O-N 3Å; Y94-W96 VanDerWaalsContact C-N 3.27Å; Y94-W96 PolarHBondContact O-N 3.02Å; Y94-N97 CarbonylContact O-C 3.58Å; Y94-N97 PolarHBondContact O-N 2.84Å; Y94-N97 VanDerWaalsContact O-N 3.13Å; Y94-A98 WeakPolarHBondContact O-CB 3.37Å; Y94-A98 PolarHBondContact O-N 3.36Å
95	V	62.8	Low	67	Low	11 Å²	11	64.4 Å²	64.4	7%	0.067	35%	0.347	C	S	.	.	H	α-helix	trans	-60.8	-37.3	-173.6	63.8	0	0	0	0	111.6	I64 T69 I73 I91 A98 A99	I64-V95 HydrophobicContact CD1-CG2 3.74Å; I64-V95 HydrophobicContact CG1-CG2 4.27Å; T69-V95 HydrophobicContact CG2-CG2 4.45Å; I73-V95 HydrophobicContact CD1-CB 4.49Å; I73-V95 HydrophobicContact CD1-CG1 4.27Å; I91-V95 HydrophobicContact CG2-CB 3.88Å; I91-V95 HydrophobicContact CG2-CG2 4.24Å; I91-V95 VanDerWaalsContact O-CA 3.3Å; I91-V95 WeakPolarHBondContact O-CA 3.47Å; I91-V95 WeakPolarHBondContact O-CB 3.46Å; I91-V95 WeakPolarHBondContact O-CG1 3.44Å; I91-V95 PolarHBondContact O-N 3.36Å; V95-A98 PolarHBondContact O-N 3.25Å; V95-A99 VanDerWaalsContact O-CB 3.22Å; V95-A99 WeakPolarHBondContact O-CB 3.39Å; V95-A99 PolarHBondContact O-N 2.83Å
96	W	63.1	Low	66.9	Low	161 Å²	161	62.4 Å²	62.4	61%	0.61	34%	0.338	S	S	*	.	H	α-helix	trans	-67.3	-44.2	177.4	-68.7	111.8	0	0	0	111.8	I64 Y94 A99 E100	I64-W96 HydrophobicContact CG2-CE3 3.97Å; I64-W96 HydrophobicContact CG2-CH2 3.45Å; I64-W96 VanDerWaalsContact CG2-CH2 3.45Å; I64-W96 HydrophobicContact CG2-CZ2 4.42Å; I64-W96 HydrophobicContact CG2-CZ3 3.17Å; Y94-W96 VanDerWaalsContact C-N 3.27Å; Y94-W96 PolarHBondContact O-N 3.02Å; W96-A99 PolarHBondContact O-N 3.35Å; W96-E100 PolarHBondContact O-N 3.1Å; W96-E100 VanDerWaalsContact O-N 3.09Å
97	N	65.4	Low	66.9	Low	66 Å²	66	60.3 Å²	60.3	35%	0.353	33%	0.326	S	S	.	.	H	α-helix	trans	-66.9	-38.3	174.9	-67.5	90.5	0	0	0	111.9	Y94 E100 V101	Y94-N97 CarbonylContact O-C 3.58Å; Y94-N97 PolarHBondContact O-N 2.84Å; Y94-N97 VanDerWaalsContact O-N 3.13Å; N97-E100 PolarHBondContact O-N 2.89Å; N97-V101 VanDerWaalsContact O-CG2 3.3Å; N97-V101 WeakPolarHBondContact O-CG2 3.46Å; N97-V101 PolarHBondContact O-N 2.74Å
98	A	61.6	Low	67.2	Low	26 Å²	26	61.8 Å²	61.8	22%	0.215	34%	0.335	C	S	.	.	H	α-helix	trans	-68.5	-38.5	176.7	0	0	0	0	0	111.1	Y94 V95 V101 I102	Y94-A98 WeakPolarHBondContact O-CB 3.37Å; Y94-A98 PolarHBondContact O-N 3.36Å; V95-A98 PolarHBondContact O-N 3.25Å; A98-V101 PolarHBondContact O-N 3.08Å; A98-I102 HydrophobicContact CB-CD1 4.48Å; A98-I102 VanDerWaalsContact O-CB 3.24Å; A98-I102 WeakPolarHBondContact O-CB 3.45Å; A98-I102 WeakPolarHBondContact O-CD1 3.39Å; A98-I102 WeakPolarHBondContact O-CG1 3.28Å; A98-I102 PolarHBondContact O-N 2.78Å
99	A	62.5	Low	67.4	Low	21 Å²	21	63.1 Å²	63.1	17%	0.174	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-43	175.5	0	0	0	0	0	111.4	I60 I64 V95 W96 V101 I102 H103	I60-A99 HydrophobicContact CG2-CB 4.48Å; I64-A99 HydrophobicContact CD1-CB 3.32Å; V95-A99 VanDerWaalsContact O-CB 3.22Å; V95-A99 WeakPolarHBondContact O-CB 3.39Å; V95-A99 PolarHBondContact O-N 2.83Å; W96-A99 PolarHBondContact O-N 3.35Å; A99-V101 VanDerWaalsContact C-N 3.34Å; A99-V101 PolarHBondContact O-N 3.46Å; A99-I102 PolarHBondContact O-N 2.85Å; A99-H103 WeakPolarHBondContact O-CB 3.09Å; A99-H103 PolarHBondContact O-N 2.67Å
100	E	65.4	Low	67.5	Low	129 Å²	129	62.5 Å²	62.5	60%	0.603	33%	0.331	S	S	*	.	H	α-helix	trans	-60.9	-43.2	174.5	-172.3	179.2	-169.7	0	0	111.5	W96 N97 H103 S104	W96-E100 PolarHBondContact O-N 3.1Å; W96-E100 VanDerWaalsContact O-N 3.09Å; N97-E100 PolarHBondContact O-N 2.89Å; E100-H103 PolarHBondContact O-N 2.9Å; E100-S104 VanDerWaalsContact O-CB 3.28Å; E100-S104 WeakPolarHBondContact O-CB 3.04Å; E100-S104 PolarHBondContact O-N 3.44Å; E100-S104 PolarHBondContact O-OG 3.36Å
101	V	63.2	Low	67.8	Low	57 Å²	57	60.9 Å²	60.9	35%	0.345	32%	0.323	S	S	.	.	H	α-helix	trans	-66.5	-45.1	176	172.5	0	0	0	0	111.5	N97 A98 A99 H103 S104 T105	N97-V101 VanDerWaalsContact O-CG2 3.3Å; N97-V101 WeakPolarHBondContact O-CG2 3.46Å; N97-V101 PolarHBondContact O-N 2.74Å; A98-V101 PolarHBondContact O-N 3.08Å; A99-V101 VanDerWaalsContact C-N 3.34Å; A99-V101 PolarHBondContact O-N 3.46Å; V101-H103 VanDerWaalsContact C-N 3.29Å; V101-H103 PolarHBondContact O-N 3.47Å; V101-S104 WeakPolarHBondContact CA-OG 3.37Å; V101-S104 PolarHBondContact O-N 2.92Å; V101-S104 PolarHBondContact O-OG 2.03Å; V101-T105 WeakPolarHBondContact O-CB 3.06Å; V101-T105 PolarHBondContact O-N 3.28Å; V101-T105 PolarHBondContact O-OG1 2.82Å
102	I	63.4	Low	68.2	Low	15 Å²	15	65.1 Å²	65.1	8%	0.077	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-34.2	179.6	-71	166.5	0	0	0	110.9	M53 Q57 I60 A98 A99	M53-I102 HydrophobicContact CE-CG1 4.08Å; M53-I102 HydrophobicContact CE-CG2 4.4Å; Q57-I102 HydrophobicContact CB-CG2 4.37Å; Q57-I102 HydrophobicContact CG-CG2 3.41Å; Q57-I102 VanDerWaalsContact CG-CG2 3.41Å; Q57-I102 PolarHBondContact NE2-O 3.27Å; I60-I102 HydrophobicContact CD1-CD1 3.84Å; A98-I102 HydrophobicContact CB-CD1 4.48Å; A98-I102 VanDerWaalsContact O-CB 3.24Å; A98-I102 WeakPolarHBondContact O-CB 3.45Å; A98-I102 WeakPolarHBondContact O-CD1 3.39Å; A98-I102 WeakPolarHBondContact O-CG1 3.28Å; A98-I102 PolarHBondContact O-N 2.78Å; A99-I102 PolarHBondContact O-N 2.85Å
103	H	66.8	Low	68.3	Low	143 Å²	143	66.4 Å²	66.4	66%	0.662	34%	0.338	S	S	*	.	H	α-helix	trans	-75.3	-39.2	177.1	-169	-85.8	0	0	0	111.9	A99 E100 V101	A99-H103 WeakPolarHBondContact O-CB 3.09Å; A99-H103 PolarHBondContact O-N 2.67Å; E100-H103 PolarHBondContact O-N 2.9Å; V101-H103 VanDerWaalsContact C-N 3.29Å; V101-H103 PolarHBondContact O-N 3.47Å
104	S	65.8	Low	68.3	Low	89 Å²	89	64 Å²	64	62%	0.622	33%	0.328	S	S	*	.	H	α-helix	trans	-81	-19	179.9	56.9	0	0	0	0	113.7	E100 V101	E100-S104 VanDerWaalsContact O-CB 3.28Å; E100-S104 WeakPolarHBondContact O-CB 3.04Å; E100-S104 PolarHBondContact O-N 3.44Å; E100-S104 PolarHBondContact O-OG 3.36Å; V101-S104 WeakPolarHBondContact CA-OG 3.37Å; V101-S104 PolarHBondContact O-N 2.92Å; V101-S104 PolarHBondContact O-OG 2.03Å
105	T	65.3	Low	68.5	Low	23 Å²	23	69.5 Å²	69.5	14%	0.141	36%	0.355	C	S	.	.	S	Bend	trans	-109.9	119.1	-173.7	-48	0	0	0	0	110.8	Q57 V101 S107 F110 I113	Q57-T105 PolarHBondContact NE2-O 3.25Å; Q57-T105 VanDerWaalsContact NE2-O 3.09Å; V101-T105 WeakPolarHBondContact O-CB 3.06Å; V101-T105 PolarHBondContact O-N 3.28Å; V101-T105 PolarHBondContact O-OG1 2.82Å; T105-S107 PolarHBondContact O-N 2.87Å; T105-F110 HydrophobicContact CG2-CB 3.8Å; T105-I113 HydrophobicContact CG2-CD1 4.25Å
106	N	71.5	Confident	69	Low	96 Å²	96	71.9 Å²	71.9	51%	0.513	37%	0.367	S	S	.	.			trans	-55.7	138.7	167.8	178.8	-31.7	0	0	0	109.4	T108 S109 F110	N106-T108 PolarHBondContact O-N 2.91Å; N106-T108 PolarHBondContact OD1-N 2.53Å; N106-S109 WeakPolarHBondContact O-CA 3.21Å; N106-S109 WeakPolarHBondContact O-CB 3.25Å; N106-S109 PolarHBondContact O-N 2.94Å; N106-F110 PolarHBondContact O-N 3.17Å
107	S	70.8	Confident	69.4	Low	22 Å²	22	64.5 Å²	64.5	15%	0.154	34%	0.34	C	S	.	.	H	α-helix	trans	-45.6	-40.2	177.4	57.8	0	0	0	0	112.8	M53 T105 C111	M53-S107 VanDerWaalsContact CB-CB 3.49Å; T105-S107 PolarHBondContact O-N 2.87Å; S107-C111 WeakPolarHBondContact O-CB 3.33Å; S107-C111 PolarHBondContact O-N 3.17Å; S107-C111 VanDerWaalsContact O-N 3.08Å; S107-C111 PolarHBondContact O-SG 3.39Å
108	T	75.3	Confident	69.6	Low	34 Å²	34	70.4 Å²	70.4	21%	0.209	37%	0.371	C	S	.	.	H	α-helix	trans	-67.6	-41.5	177.5	-56.7	0	0	0	0	112.5	Q50 N106 C111 R112	Q50-T108 PolarHBondContact NE2-OG1 3.09Å; N106-T108 PolarHBondContact O-N 2.91Å; N106-T108 PolarHBondContact OD1-N 2.53Å; T108-C111 PolarHBondContact O-N 2.92Å; T108-R112 WeakPolarHBondContact O-CG 3.29Å; T108-R112 PolarHBondContact O-N 3.41Å
109	S	75.7	Confident	70	Confident	53 Å²	53	72.6 Å²	72.6	37%	0.371	38%	0.379	S	S	.	.	H	α-helix	trans	-65.5	-42.2	178.4	-60.2	0	0	0	0	111.2	N106 R112 I113	N106-S109 WeakPolarHBondContact O-CA 3.21Å; N106-S109 WeakPolarHBondContact O-CB 3.25Å; N106-S109 PolarHBondContact O-N 2.94Å; S109-R112 PolarHBondContact O-N 2.73Å; S109-I113 WeakPolarHBondContact O-CD1 3.3Å; S109-I113 VanDerWaalsContact O-CG1 3.25Å; S109-I113 WeakPolarHBondContact O-CG1 2.83Å; S109-I113 PolarHBondContact O-N 3.22Å
110	F	75.3	Confident	70.4	Confident	44 Å²	44	75.3 Å²	75.3	19%	0.193	39%	0.39	C	S	.	.	H	α-helix	trans	-60.8	-48.8	176	-178.2	-92.9	0	0	0	110.7	M53 T105 N106 R112 I113 I114	M53-F110 HydrophobicContact CE-CB 3.73Å; M53-F110 HydrophobicContact CE-CD1 3.89Å; M53-F110 HydrophobicContact CE-CD2 4.06Å; M53-F110 HydrophobicContact CE-CG 3.61Å; M53-F110 HydrophobicContact CG-CB 4.3Å; M53-F110 HydrophobicContact CG-CD1 3.6Å; M53-F110 HydrophobicContact CG-CE1 4.27Å; M53-F110 HydrophobicContact CG-CG 4.19Å; M53-F110 HydrophobicContact SD-CB 4.27Å; M53-F110 HydrophobicContact SD-CD1 3.3Å; M53-F110 WeakPolarHBondContact SD-CD1 2.99Å; M53-F110 HydrophobicContact SD-CD2 4.35Å; M53-F110 HydrophobicContact SD-CE1 3.6Å; M53-F110 VanDerWaalsContact SD-CE1 3.6Å; M53-F110 HydrophobicContact SD-CG 3.71Å; M53-F110 HydrophobicContact SD-CZ 4.24Å; T105-F110 HydrophobicContact CG2-CB 3.8Å; N106-F110 PolarHBondContact O-N 3.17Å; F110-R112 PolarHBondContact O-N 2.82Å; F110-I113 WeakPolarHBondContact O-CB 3.49Å; F110-I113 PolarHBondContact O-N 2.66Å; F110-I114 HydrophobicContact CD1-CD1 4.17Å; F110-I114 HydrophobicContact CD1-CG1 4.45Å; F110-I114 HydrophobicContact CE1-CD1 3.71Å; F110-I114 HydrophobicContact CE1-CG1 4.31Å; F110-I114 HydrophobicContact CE1-CG2 4.28Å; F110-I114 HydrophobicContact CZ-CG2 4.2Å; F110-I114 WeakPolarHBondContact O-CG1 3.14Å; F110-I114 PolarHBondContact O-N 3.26Å; F110-I114 VanDerWaalsContact O-N 3.08Å
111	C	74.6	Confident	70.6	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-28.7	179.5	-61.6	0	0	0	0	113.4	C49 Q50 S107 T108 H115 L116 C117	C49-C111 HydrophobicContact CB-CB 3.81Å; C49-C111 WeakPolarHBondContact CB-SG 3.42Å; C49-C111 WeakPolarHBondContact SG-CA 3.29Å; C49-C111 WeakPolarHBondContact SG-CB 3.22Å; C49-C111 CovalentContact SG-SG 2.02Å; C49-C111 PolarHBondContact SG-SG 3.22Å; Q50-C111 PolarHBondContact N-SG 2.68Å; S107-C111 WeakPolarHBondContact O-CB 3.33Å; S107-C111 PolarHBondContact O-N 3.17Å; S107-C111 VanDerWaalsContact O-N 3.08Å; S107-C111 PolarHBondContact O-SG 3.39Å; T108-C111 PolarHBondContact O-N 2.92Å; C111-H115 PolarHBondContact O-N 2.64Å; C111-L116 PolarHBondContact O-N 2.75Å; C111-C117 HydrophobicContact CB-CB 4.09Å; C111-C117 WeakPolarHBondContact CB-SG 3.22Å; C111-C117 PolarHBondContact O-N 3.09Å
112	R	77.4	Confident	71.1	Confident	133 Å²	133	73.2 Å²	73.2	50%	0.502	38%	0.38	S	S	.	.	H	α-helix	trans	-71.4	-41.9	169.7	-75.5	178.7	177.7	160.5	2.8	112.8	T108 S109 F110 I114 H115 C117	T108-R112 WeakPolarHBondContact O-CG 3.29Å; T108-R112 PolarHBondContact O-N 3.41Å; S109-R112 PolarHBondContact O-N 2.73Å; F110-R112 PolarHBondContact O-N 2.82Å; R112-I114 PolarHBondContact O-N 3.39Å; R112-H115 PolarHBondContact O-N 2.93Å; R112-C117 WeakPolarHBondContact CA-O 3.41Å; R112-C117 HydrophobicContact CG-CB 3.86Å; R112-C117 WeakPolarHBondContact CG-O 3.11Å
113	I	71.8	Confident	71.5	Confident	114 Å²	114	76.9 Å²	76.9	59%	0.585	40%	0.399	S	S	*	.	H	α-helix	trans	-59.2	-38.6	178.3	-70.7	162.2	0	0	0	111	T105 S109 F110 H115	T105-I113 HydrophobicContact CG2-CD1 4.25Å; S109-I113 WeakPolarHBondContact O-CD1 3.3Å; S109-I113 VanDerWaalsContact O-CG1 3.25Å; S109-I113 WeakPolarHBondContact O-CG1 2.83Å; S109-I113 PolarHBondContact O-N 3.22Å; F110-I113 WeakPolarHBondContact O-CB 3.49Å; F110-I113 PolarHBondContact O-N 2.66Å; I113-H115 VanDerWaalsContact C-N 3.29Å
114	I	70.3	Confident	71.9	Confident	68 Å²	68	72.5 Å²	72.5	35%	0.349	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	13.1	176.7	65.6	165.5	0	0	0	113.5	F110 R112 L116	F110-I114 HydrophobicContact CD1-CD1 4.17Å; F110-I114 HydrophobicContact CD1-CG1 4.45Å; F110-I114 HydrophobicContact CE1-CD1 3.71Å; F110-I114 HydrophobicContact CE1-CG1 4.31Å; F110-I114 HydrophobicContact CE1-CG2 4.28Å; F110-I114 HydrophobicContact CZ-CG2 4.2Å; F110-I114 WeakPolarHBondContact O-CG1 3.14Å; F110-I114 PolarHBondContact O-N 3.26Å; F110-I114 VanDerWaalsContact O-N 3.08Å; R112-I114 PolarHBondContact O-N 3.39Å; I114-L116 HydrophobicContact CD1-CD1 3.45Å; I114-L116 VanDerWaalsContact CD1-CD1 3.45Å; I114-L116 HydrophobicContact CD1-CG 3.8Å; I114-L116 HydrophobicContact CG1-CB 4.33Å; I114-L116 HydrophobicContact CG1-CD1 4.13Å; I114-L116 HydrophobicContact CG1-CG 3.91Å; I114-L116 PolarHBondContact O-N 3.33Å; I114-L116 VanDerWaalsContact O-N 3.17Å
115	H	70.8	Confident	72.3	Confident	154 Å²	154	71.3 Å²	71.3	71%	0.713	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	27.6	175.9	-57.3	-71	0	0	0	115.4	C111 R112 I113	C111-H115 PolarHBondContact O-N 2.64Å; R112-H115 PolarHBondContact O-N 2.93Å; I113-H115 VanDerWaalsContact C-N 3.29Å
116	L	72.1	Confident	72.8	Confident	62 Å²	62	75 Å²	75	33%	0.325	38%	0.382	S	S	.	.	S	Bend	trans	-90	-21.6	171.6	-65	-172.6	0	0	0	112.7	C46 C49 C111 I114	C46-L116 VanDerWaalsContact CA-O 3.25Å; C46-L116 WeakPolarHBondContact CA-O 3.19Å; C46-L116 WeakPolarHBondContact CB-O 3.45Å; C46-L116 PolarHBondContact N-O 3.35Å; C49-L116 HydrophobicContact CB-CB 4.09Å; C49-L116 HydrophobicContact CB-CD1 3.72Å; C111-L116 PolarHBondContact O-N 2.75Å; I114-L116 HydrophobicContact CD1-CD1 3.45Å; I114-L116 VanDerWaalsContact CD1-CD1 3.45Å; I114-L116 HydrophobicContact CD1-CG 3.8Å; I114-L116 HydrophobicContact CG1-CB 4.33Å; I114-L116 HydrophobicContact CG1-CD1 4.13Å; I114-L116 HydrophobicContact CG1-CG 3.91Å; I114-L116 PolarHBondContact O-N 3.33Å; I114-L116 VanDerWaalsContact O-N 3.17Å
117	C	71.5	Confident	72.9	Confident	5 Å²	5	73.3 Å²	73.3	3%	0.034	37%	0.371	C	S	.	.			trans	-118.4	135.8	168.6	-63.4	0	0	0	0	109	C46 C111 R112	C46-C117 WeakPolarHBondContact CA-SG 3.13Å; C46-C117 HydrophobicContact CB-CB 3.94Å; C46-C117 WeakPolarHBondContact CB-SG 3.17Å; C46-C117 WeakPolarHBondContact SG-CB 3.45Å; C46-C117 CovalentContact SG-SG 2.03Å; C46-C117 PolarHBondContact SG-SG 2.78Å; C111-C117 HydrophobicContact CB-CB 4.09Å; C111-C117 WeakPolarHBondContact CB-SG 3.22Å; C111-C117 PolarHBondContact O-N 3.09Å; R112-C117 WeakPolarHBondContact CA-O 3.41Å; R112-C117 HydrophobicContact CG-CB 3.86Å; R112-C117 WeakPolarHBondContact CG-O 3.11Å
118	N	69.8	Low	73.1	Confident	190 Å²	190	77.9 Å²	77.9	100%	1.016	39%	0.39	S	S	*	.			trans	-93.8	0	165.6	-73.3	-4.9	0	0	0	110.8

Retrieved 118 of 118 residues in 145 ms (Link to these results)

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