A0A3Q0KI50_SCHMA Loading...

RRM domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KI50, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 167 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	50.4	Low	85.2	Confident	230 Å²	230	64.8 Å²	64.8	100%	1.133	35%	0.346	S	S	*	.				0	113.7	0	-62.7	-168.7	-177.8	0	0	107.7	N3	M1-N3 PolarHBondContact O-N 2.79Å
2	T	55.1	Low	86	Confident	112 Å²	112	67.1 Å²	67.1	69%	0.687	35%	0.346	S	S	*	.			trans	-67.7	123.8	177.5	37.4	0	0	0	0	108.4	N4	T2-N4 PolarHBondContact O-N 3.38Å
3	N	75.2	Confident	86.5	Confident	157 Å²	157	62.7 Å²	62.7	84%	0.84	32%	0.323	S	S	*	.			trans	-73.8	46.9	176.3	-73.3	-26.5	0	0	0	111.2	M1 L5	M1-N3 PolarHBondContact O-N 2.79Å; N3-L5 PolarHBondContact O-N 3.19Å
4	N	91.2	Very high	86.8	Confident	92 Å²	92	59.5 Å²	59.5	49%	0.492	31%	0.309	S	S	.	.			trans	-90.1	102.8	176.7	-155.2	2.3	0	0	0	108.4	T2 N56	T2-N4 PolarHBondContact O-N 3.38Å; N4-N56 HydrophobicContact CB-CB 4.35Å; N4-N56 WeakPolarHBondContact O-CB 3.39Å; N4-N56 PolarHBondContact O-N 3.4Å
5	L	92.5	Very high	86.9	Confident	42 Å²	42	67.9 Å²	67.9	22%	0.22	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	147.5	178.5	-62.2	172.3	0	0	0	108.6	N3 R53 M54 D83	N3-L5 PolarHBondContact O-N 3.19Å; L5-R53 HydrophobicContact CB-CG 3.98Å; L5-R53 HydrophobicContact CD1-CG 4.38Å; L5-M54 WeakPolarHBondContact CA-O 3.31Å; L5-D83 WeakPolarHBondContact O-CB 3.33Å
6	V	94.8	Very high	86.9	Confident	13 Å²	13	76.1 Å²	76.1	8%	0.079	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	164.3	171.8	-64	0	0	0	0	108.9	R53 M54 N56 A59 I80	V6-R53 WeakPolarHBondContact O-CA 3.49Å; V6-M54 PolarHBondContact N-O 3.14Å; V6-M54 PolarHBondContact O-N 3.37Å; V6-N56 HydrophobicContact CG1-CB 4.05Å; V6-N56 WeakPolarHBondContact CG1-OD1 3.46Å; V6-N56 HydrophobicContact CG2-CB 4.47Å; V6-A59 HydrophobicContact CG2-CB 3.19Å; V6-I80 HydrophobicContact CB-CG2 4.12Å; V6-I80 HydrophobicContact CG2-CG2 4.12Å
7	V	95.7	Very high	87	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.5	-179.1	176.3	0	0	0	0	109.1	F51 V52 R53 L81 L87 F88	V7-F51 HydrophobicContact CG1-CB 4.1Å; V7-F51 HydrophobicContact CG1-CD1 4.15Å; V7-V52 CarbonylContact C-O 3.53Å; V7-V52 WeakPolarHBondContact CA-O 3.36Å; V7-R53 HydrophobicContact CG2-CB 4.44Å; V7-R53 HydrophobicContact CG2-CG 4.33Å; V7-L81 HydrophobicContact CB-CB 4.39Å; V7-L81 PolarHBondContact N-O 3Å; V7-L81 WeakPolarHBondContact O-CA 3.36Å; V7-L81 WeakPolarHBondContact O-CB 3.37Å; V7-L81 PolarHBondContact O-N 3.21Å; V7-L87 HydrophobicContact CG1-CD1 4.11Å; V7-F88 HydrophobicContact CG1-CE2 4.14Å; V7-F88 HydrophobicContact CG1-CZ 4.01Å; V7-F88 HydrophobicContact CG2-CE2 3.67Å; V7-F88 HydrophobicContact CG2-CZ 4.08Å
8	L	95.7	Very high	87.2	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126	167.6	-63.2	-178	0	0	0	109.5	F51 V52 M54 A59 V62 I80	L8-F51 CarbonylContact O-C 3.56Å; L8-F51 VanDerWaalsContact O-CA 3.3Å; L8-F51 WeakPolarHBondContact O-CA 3.4Å; L8-V52 HydrophobicContact CB-CB 4.34Å; L8-V52 PolarHBondContact N-O 2.77Å; L8-V52 PolarHBondContact O-N 2.97Å; L8-M54 HydrophobicContact CD1-CE 3.36Å; L8-M54 HydrophobicContact CG-CE 4.35Å; L8-A59 HydrophobicContact CD2-CB 3.96Å; L8-A59 HydrophobicContact CG-CB 4.27Å; L8-V62 HydrophobicContact CD1-CB 3.87Å; L8-V62 HydrophobicContact CD1-CG1 3.65Å; L8-I80 HydrophobicContact CD2-CB 4.38Å; L8-I80 HydrophobicContact CD2-CG1 3.72Å
9	H	96.3	Very high	87.4	Confident	38 Å²	38	69.7 Å²	69.7	18%	0.176	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111	169.1	178.3	-135.2	0	0	0	108.8	T11 A50 F51 C78 E79 L81	H9-T11 WeakPolarHBondContact CE1-CG2 3Å; H9-T11 VanDerWaalsContact NE2-CG2 3.28Å; H9-T11 WeakPolarHBondContact NE2-CG2 3.41Å; H9-A50 WeakPolarHBondContact CA-O 3.48Å; H9-F51 HydrophobicContact CB-CD1 4.34Å; H9-F51 HydrophobicContact CB-CE1 4.26Å; H9-F51 AromaticContact CD2-CD1 3.86Å; H9-F51 AromaticContact CD2-CE1 3.28Å; H9-F51 WeakPolarHBondContact CD2-CE1 3.45Å; H9-F51 AromaticContact CD2-CZ 3.61Å; H9-F51 AromaticContact CG-CE1 3.92Å; H9-F51 AromaticContact NE2-CE1 3.93Å; H9-F51 AromaticContact NE2-CZ 3.85Å; H9-C78 WeakPolarHBondContact O-CA 3.42Å; H9-E79 PolarHBondContact N-O 3.15Å; H9-E79 IonicContact ND1-OE2 3.67Å; H9-E79 PolarHBondContact O-N 3.47Å; H9-L81 HydrophobicContact CB-CD1 3.64Å; H9-L81 HydrophobicContact CB-CG 4.04Å
10	I	95.7	Very high	87.7	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.8	179.4	-51.4	164.5	0	0	0	107.4	L13 I26 S49 A50 V52 L66 I76 K77	I10-L13 HydrophobicContact CB-CD1 4.33Å; I10-L13 HydrophobicContact CB-CG 4.47Å; I10-L13 HydrophobicContact CG2-CD1 4.13Å; I10-L13 HydrophobicContact CG2-CD2 3.68Å; I10-L13 HydrophobicContact CG2-CG 3.77Å; I10-I26 HydrophobicContact CD1-CD1 3.74Å; I10-S49 CarbonylContact O-C 3.58Å; I10-S49 VanDerWaalsContact O-CA 3.23Å; I10-S49 WeakPolarHBondContact O-CA 3.33Å; I10-A50 HydrophobicContact CB-CB 4.46Å; I10-A50 PolarHBondContact N-O 3.21Å; I10-A50 PolarHBondContact O-N 3.48Å; I10-V52 HydrophobicContact CD1-CG2 4.06Å; I10-L66 HydrophobicContact CD1-CD1 3.73Å; I10-L66 HydrophobicContact CG1-CD1 4.31Å; I10-I76 HydrophobicContact CG2-CG2 3.69Å; I10-K77 WeakPolarHBondContact CA-O 3.34Å
11	T	94.9	Very high	88	Confident	29 Å²	29	71.1 Å²	71.1	18%	0.178	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	159.6	178.9	63.6	0	0	0	0	111.6	H9 L13 D48 K77	H9-T11 WeakPolarHBondContact CE1-CG2 3Å; H9-T11 VanDerWaalsContact NE2-CG2 3.28Å; H9-T11 WeakPolarHBondContact NE2-CG2 3.41Å; T11-L13 VanDerWaalsContact C-N 3.27Å; T11-D48 CarbonylContact C-O 3.5Å; T11-K77 PolarHBondContact N-O 3.39Å; T11-K77 PolarHBondContact O-N 2.76Å; T11-K77 WeakPolarHBondContact OG1-CB 3.24Å
12	R	94.2	Very high	90.1	Very high	92 Å²	92	60.3 Å²	60.3	35%	0.347	30%	0.302	S	S	.	.	S	Bend	trans	64.9	32.3	-177.7	-55.3	-178.9	-77.6	177	9	112.3	D48 K74 I75	R12-D48 PolarHBondContact N-O 2.8Å; R12-K74 HydrophobicContact CB-CB 4.47Å; R12-K74 HydrophobicContact CB-CD 4.38Å; R12-I75 WeakPolarHBondContact CD-O 3.43Å; R12-I75 PolarHBondContact NE-O 3.3Å; R12-I75 PolarHBondContact NH2-O 2.97Å
13	L	92.6	Very high	92	Very high	10 Å²	10	58.8 Å²	58.8	5%	0.052	28%	0.284	C	S	.	.			trans	-62.5	142.6	174.3	-77.6	170.7	0	0	0	111.3	I10 T11 L22 D48 A50	I10-L13 HydrophobicContact CB-CD1 4.33Å; I10-L13 HydrophobicContact CB-CG 4.47Å; I10-L13 HydrophobicContact CG2-CD1 4.13Å; I10-L13 HydrophobicContact CG2-CD2 3.68Å; I10-L13 HydrophobicContact CG2-CG 3.77Å; T11-L13 VanDerWaalsContact C-N 3.27Å; L13-L22 HydrophobicContact CD1-CD1 4.31Å; L13-L22 HydrophobicContact CD1-CD2 3.77Å; L13-L22 HydrophobicContact CD2-CD1 4.11Å; L13-D48 PolarHBondContact N-O 2.89Å; L13-D48 WeakPolarHBondContact O-CB 3.45Å; L13-A50 HydrophobicContact CD1-CB 3.48Å; L13-A50 VanDerWaalsContact CD1-CB 3.48Å
14	P	90.7	Very high	92.9	Very high	18 Å²	18	58.9 Å²	58.9	12%	0.117	28%	0.277	C	S	.	.			trans	-58.9	137.3	171.1	20.7	-31.1	0	0	0	111.5	Y16 F17 Q71	P14-Y16 PolarHBondContact O-N 3.49Å; P14-F17 HydrophobicContact CB-CD2 4.25Å; P14-F17 HydrophobicContact CG-CD2 3.41Å; P14-F17 VanDerWaalsContact CG-CD2 3.41Å; P14-F17 HydrophobicContact CG-CE2 3.81Å; P14-F17 HydrophobicContact CG-CG 4.16Å; P14-F17 PolarHBondContact O-N 2.97Å; P14-Q71 HydrophobicContact CB-CG 3.99Å; P14-Q71 HydrophobicContact CG-CG 3.82Å
15	K	88.6	Confident	93	Very high	186 Å²	186	58.2 Å²	58.2	81%	0.809	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.2	-173.1	-68.2	-179.5	-179.5	173	0	114.6
16	Y	87.1	Confident	93.1	Very high	199 Å²	199	56.2 Å²	56.2	78%	0.78	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-12.8	179.9	-49.6	-68.6	0	0	0	112.9	P14 G18	P14-Y16 PolarHBondContact O-N 3.49Å; Y16-G18 PolarHBondContact O-N 3Å; Y16-G18 VanDerWaalsContact O-N 3.11Å
17	F	87.6	Confident	93.1	Very high	60 Å²	60	59.7 Å²	59.7	26%	0.263	27%	0.273	S	S	.	.			trans	-77.4	98.9	174.8	-90.6	-109.4	0	0	0	109.8	P14 E21 L22 Y25	P14-F17 HydrophobicContact CB-CD2 4.25Å; P14-F17 HydrophobicContact CG-CD2 3.41Å; P14-F17 VanDerWaalsContact CG-CD2 3.41Å; P14-F17 HydrophobicContact CG-CE2 3.81Å; P14-F17 HydrophobicContact CG-CG 4.16Å; P14-F17 PolarHBondContact O-N 2.97Å; F17-E21 HydrophobicContact CD1-CB 4.39Å; F17-L22 HydrophobicContact CD1-CB 4.11Å; F17-L22 HydrophobicContact CD1-CD1 3.96Å; F17-L22 HydrophobicContact CE1-CD1 4.48Å; F17-Y25 HydrophobicContact CE1-CG 4.37Å
18	G	90.7	Very high	93.1	Very high	8 Å²	8	65.5 Å²	65.5	8%	0.082	30%	0.3	C	S	.	.			trans	-75.2	176.3	165.4	0	0	0	0	0	111.7	Y16 S20 E21 L22	Y16-G18 PolarHBondContact O-N 3Å; Y16-G18 VanDerWaalsContact O-N 3.11Å; G18-S20 VanDerWaalsContact C-N 3.26Å; G18-S20 PolarHBondContact O-N 3.03Å; G18-E21 VanDerWaalsContact C-OE2 3.28Å; G18-E21 WeakPolarHBondContact CA-OE2 3.45Å; G18-E21 PolarHBondContact N-OE2 3.43Å; G18-E21 VanDerWaalsContact N-OE2 3.13Å; G18-E21 PolarHBondContact O-N 2.87Å; G18-L22 WeakPolarHBondContact O-CB 3.38Å; G18-L22 PolarHBondContact O-N 3.34Å
19	P	92.4	Very high	92.9	Very high	38 Å²	38	68.1 Å²	68.1	25%	0.247	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-31.7	178.8	25.1	-33.7	0	0	0	112.9	R23 L35 I37 W46	P19-R23 VanDerWaalsContact O-CB 3.25Å; P19-R23 WeakPolarHBondContact O-CB 3.37Å; P19-R23 PolarHBondContact O-N 3.15Å; P19-R23 VanDerWaalsContact O-N 3.09Å; P19-L35 HydrophobicContact CB-CD2 3.74Å; P19-I37 HydrophobicContact CB-CD1 4.19Å; P19-W46 HydrophobicContact CG-CH2 4.2Å; P19-W46 HydrophobicContact CG-CZ2 3.79Å
20	S	93.4	Very high	92.8	Very high	71 Å²	71	67.3 Å²	67.3	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-72.7	-44.4	-179.8	-58.6	0	0	0	0	111.8	G18 R23 K24	G18-S20 VanDerWaalsContact C-N 3.26Å; G18-S20 PolarHBondContact O-N 3.03Å; S20-R23 PolarHBondContact O-N 3.43Å; S20-K24 WeakPolarHBondContact O-CG 3.29Å; S20-K24 PolarHBondContact O-N 2.7Å; S20-K24 VanDerWaalsContact O-N 3.14Å
21	E	93.4	Very high	92.7	Very high	98 Å²	98	74.8 Å²	74.8	46%	0.458	35%	0.346	S	S	.	.	H	α-helix	trans	-68.4	-44.4	179.8	-62.5	69.4	-148.4	0	0	110.4	F17 G18 R23 K24 Y25	F17-E21 HydrophobicContact CD1-CB 4.39Å; G18-E21 VanDerWaalsContact C-OE2 3.28Å; G18-E21 WeakPolarHBondContact CA-OE2 3.45Å; G18-E21 PolarHBondContact N-OE2 3.43Å; G18-E21 VanDerWaalsContact N-OE2 3.13Å; G18-E21 PolarHBondContact O-N 2.87Å; E21-R23 VanDerWaalsContact C-N 3.33Å; E21-R23 PolarHBondContact O-N 3.23Å; E21-K24 PolarHBondContact O-N 3.35Å; E21-Y25 PolarHBondContact O-N 3.12Å
22	L	93.8	Very high	92.7	Very high	3 Å²	3	73.8 Å²	73.8	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-39.7	177.2	-173.2	64.8	0	0	0	111.9	L13 F17 G18 Y25 I26 L35 I37 A50	L13-L22 HydrophobicContact CD1-CD1 4.31Å; L13-L22 HydrophobicContact CD1-CD2 3.77Å; L13-L22 HydrophobicContact CD2-CD1 4.11Å; F17-L22 HydrophobicContact CD1-CB 4.11Å; F17-L22 HydrophobicContact CD1-CD1 3.96Å; F17-L22 HydrophobicContact CE1-CD1 4.48Å; G18-L22 WeakPolarHBondContact O-CB 3.38Å; G18-L22 PolarHBondContact O-N 3.34Å; L22-Y25 PolarHBondContact O-N 2.89Å; L22-I26 HydrophobicContact CD1-CD1 3.94Å; L22-I26 HydrophobicContact CD1-CG1 4.33Å; L22-I26 HydrophobicContact CG-CD1 3.89Å; L22-I26 WeakPolarHBondContact O-CG1 3.34Å; L22-I26 PolarHBondContact O-N 2.98Å; L22-L35 HydrophobicContact CB-CD1 4.29Å; L22-L35 HydrophobicContact CD2-CD1 4.09Å; L22-L35 HydrophobicContact CG-CD1 4.06Å; L22-I37 HydrophobicContact CB-CD1 4.38Å; L22-I37 HydrophobicContact CD2-CD1 3.78Å; L22-I37 HydrophobicContact CD2-CG1 4.22Å; L22-A50 HydrophobicContact CD2-CB 3.37Å
23	R	94.9	Very high	92.6	Very high	81 Å²	81	74 Å²	74	31%	0.306	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-54.3	174.9	173.2	176	-72.5	-80.3	2	111.2	P19 S20 E21 Y25 I26 E27 V32 L35	P19-R23 VanDerWaalsContact O-CB 3.25Å; P19-R23 WeakPolarHBondContact O-CB 3.37Å; P19-R23 PolarHBondContact O-N 3.15Å; P19-R23 VanDerWaalsContact O-N 3.09Å; S20-R23 PolarHBondContact O-N 3.43Å; E21-R23 VanDerWaalsContact C-N 3.33Å; E21-R23 PolarHBondContact O-N 3.23Å; R23-Y25 VanDerWaalsContact C-N 3.25Å; R23-Y25 PolarHBondContact O-N 3.48Å; R23-I26 PolarHBondContact O-N 2.93Å; R23-I26 VanDerWaalsContact O-N 3.15Å; R23-E27 VanDerWaalsContact CD-OE1 3.25Å; R23-E27 WeakPolarHBondContact CD-OE1 3.25Å; R23-E27 HydrophobicContact CG-CG 4.08Å; R23-E27 WeakPolarHBondContact CG-OE1 3.1Å; R23-E27 IonicContact CZ-OE1 2.81Å; R23-E27 IonicContact NE-OE1 2.92Å; R23-E27 IonicContact NH1-OE1 3.78Å; R23-E27 PolarHBondContact NH1-OE1 2.75Å; R23-E27 WeakPolarHBondContact O-CB 3.36Å; R23-E27 VanDerWaalsContact O-CG 3.29Å; R23-E27 WeakPolarHBondContact O-CG 3.39Å; R23-E27 PolarHBondContact O-N 3.01Å; R23-V32 PolarHBondContact NH1-O 3.47Å; R23-L35 HydrophobicContact CB-CD1 4.11Å
24	K	95.8	Very high	92.6	Very high	159 Å²	159	75.7 Å²	75.7	69%	0.691	35%	0.353	S	S	*	.	H	α-helix	trans	-56.7	-41.7	-179.9	-72.2	177.2	180	-176.8	0	111.9	S20 E21	S20-K24 WeakPolarHBondContact O-CG 3.29Å; S20-K24 PolarHBondContact O-N 2.7Å; S20-K24 VanDerWaalsContact O-N 3.14Å; E21-K24 PolarHBondContact O-N 3.35Å
25	Y	93.4	Very high	92.7	Very high	78 Å²	78	76 Å²	76	31%	0.306	35%	0.354	S	S	.	.	H	α-helix	trans	-64.7	-44.5	177.8	-179.3	-92.1	0	0	0	112.1	F17 E21 L22 R23 Q28 F29 L66	F17-Y25 HydrophobicContact CE1-CG 4.37Å; E21-Y25 PolarHBondContact O-N 3.12Å; L22-Y25 PolarHBondContact O-N 2.89Å; R23-Y25 VanDerWaalsContact C-N 3.25Å; R23-Y25 PolarHBondContact O-N 3.48Å; Y25-Q28 VanDerWaalsContact CD2-NE2 3.32Å; Y25-Q28 WeakPolarHBondContact O-CG 3.03Å; Y25-Q28 PolarHBondContact O-NE2 3.25Å; Y25-F29 HydrophobicContact CD1-CE2 4.4Å; Y25-F29 AromaticContact CE1-CE2 3.83Å; Y25-F29 HydrophobicContact CE1-CE2 3.83Å; Y25-F29 HydrophobicContact CE1-CZ 4.48Å; Y25-L66 HydrophobicContact CE1-CD2 3.59Å; Y25-L66 HydrophobicContact CE1-CG 4.48Å
26	I	93.8	Very high	92.8	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-75.2	-31.9	-178.6	-62.5	173.2	0	0	0	111.4	I10 L22 R23 Q28 F29 G30 V32 V52 M54 V62	I10-I26 HydrophobicContact CD1-CD1 3.74Å; L22-I26 HydrophobicContact CD1-CD1 3.94Å; L22-I26 HydrophobicContact CD1-CG1 4.33Å; L22-I26 HydrophobicContact CG-CD1 3.89Å; L22-I26 WeakPolarHBondContact O-CG1 3.34Å; L22-I26 PolarHBondContact O-N 2.98Å; R23-I26 PolarHBondContact O-N 2.93Å; R23-I26 VanDerWaalsContact O-N 3.15Å; I26-Q28 PolarHBondContact O-N 2.86Å; I26-Q28 VanDerWaalsContact O-N 3.08Å; I26-F29 PolarHBondContact O-N 2.86Å; I26-G30 PolarHBondContact O-N 3.15Å; I26-V32 HydrophobicContact CB-CG2 3.92Å; I26-V32 HydrophobicContact CG2-CG2 3.53Å; I26-V52 HydrophobicContact CD1-CB 4.36Å; I26-V52 HydrophobicContact CD1-CG1 4.11Å; I26-V52 HydrophobicContact CD1-CG2 3.68Å; I26-V52 HydrophobicContact CG2-CG1 4.37Å; I26-M54 HydrophobicContact CG2-CE 4.16Å; I26-M54 HydrophobicContact CG2-SD 3.52Å; I26-M54 VanDerWaalsContact CG2-SD 3.52Å; I26-V62 HydrophobicContact CG2-CG1 4.28Å
27	E	94.9	Very high	93.1	Very high	86 Å²	86	59.3 Å²	59.3	40%	0.402	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-17.4	178.6	-79.4	174.7	177.5	0	0	113.6	R23 F29 G30 V32	R23-E27 VanDerWaalsContact CD-OE1 3.25Å; R23-E27 WeakPolarHBondContact CD-OE1 3.25Å; R23-E27 HydrophobicContact CG-CG 4.08Å; R23-E27 WeakPolarHBondContact CG-OE1 3.1Å; R23-E27 IonicContact CZ-OE1 2.81Å; R23-E27 IonicContact NE-OE1 2.92Å; R23-E27 IonicContact NH1-OE1 3.78Å; R23-E27 PolarHBondContact NH1-OE1 2.75Å; R23-E27 WeakPolarHBondContact O-CB 3.36Å; R23-E27 VanDerWaalsContact O-CG 3.29Å; R23-E27 WeakPolarHBondContact O-CG 3.39Å; R23-E27 PolarHBondContact O-N 3.01Å; E27-F29 VanDerWaalsContact C-N 3.25Å; E27-F29 PolarHBondContact O-N 2.99Å; E27-G30 WeakPolarHBondContact CA-O 3.32Å; E27-G30 PolarHBondContact O-N 3.08Å; E27-V32 HydrophobicContact CG-CB 4.09Å; E27-V32 HydrophobicContact CG-CG2 3.8Å
28	Q	94.6	Very high	93.2	Very high	121 Å²	121	57.1 Å²	57.1	57%	0.565	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.8	171.8	85.5	-168.2	-51.9	0	0	113.2	Y25 I26	Y25-Q28 VanDerWaalsContact CD2-NE2 3.32Å; Y25-Q28 WeakPolarHBondContact O-CG 3.03Å; Y25-Q28 PolarHBondContact O-NE2 3.25Å; I26-Q28 PolarHBondContact O-N 2.86Å; I26-Q28 VanDerWaalsContact O-N 3.08Å
29	F	92.3	Very high	93.1	Very high	56 Å²	56	62 Å²	62	25%	0.246	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-23	-179.4	-55.7	-71.3	0	0	0	112.4	Y25 I26 E27 V58 V62 T65	Y25-F29 HydrophobicContact CD1-CE2 4.4Å; Y25-F29 AromaticContact CE1-CE2 3.83Å; Y25-F29 HydrophobicContact CE1-CE2 3.83Å; Y25-F29 HydrophobicContact CE1-CZ 4.48Å; I26-F29 PolarHBondContact O-N 2.86Å; E27-F29 VanDerWaalsContact C-N 3.25Å; E27-F29 PolarHBondContact O-N 2.99Å; F29-V58 WeakPolarHBondContact O-CG1 3.29Å; F29-V62 HydrophobicContact CB-CG2 3.4Å; F29-V62 VanDerWaalsContact CB-CG2 3.4Å; F29-V62 HydrophobicContact CD2-CG1 4.47Å; F29-V62 HydrophobicContact CD2-CG2 4.01Å; F29-V62 HydrophobicContact CG-CG2 3.85Å; F29-T65 HydrophobicContact CE1-CG2 3.98Å; F29-T65 HydrophobicContact CZ-CG2 3.81Å
30	G	93.2	Very high	93	Very high	21 Å²	21	61.9 Å²	61.9	22%	0.216	30%	0.297	C	S	.	.	S	Bend	trans	163.2	179.1	176.3	0	0	0	0	0	113.9	I26 E27 V32	I26-G30 PolarHBondContact O-N 3.15Å; E27-G30 WeakPolarHBondContact CA-O 3.32Å; E27-G30 PolarHBondContact O-N 3.08Å; G30-V32 PolarHBondContact O-N 3Å
31	K	94.1	Very high	92.6	Very high	157 Å²	157	70.8 Å²	70.8	68%	0.683	32%	0.319	S	S	*	.			trans	-67.9	121.3	-172.3	-174	176.3	-177.9	174.1	0	112.6
32	V	94.5	Very high	92.4	Very high	8 Å²	8	75.6 Å²	75.6	5%	0.048	34%	0.339	C	S	.	.			trans	-88.3	110.6	172.8	177.7	0	0	0	0	110.4	R23 I26 E27 G30 L35 V52 M54	R23-V32 PolarHBondContact NH1-O 3.47Å; I26-V32 HydrophobicContact CB-CG2 3.92Å; I26-V32 HydrophobicContact CG2-CG2 3.53Å; E27-V32 HydrophobicContact CG-CB 4.09Å; E27-V32 HydrophobicContact CG-CG2 3.8Å; G30-V32 PolarHBondContact O-N 3Å; V32-L35 HydrophobicContact CG1-CB 4.08Å; V32-V52 HydrophobicContact CG1-CG1 3.65Å; V32-V52 HydrophobicContact CG2-CG1 4.15Å; V32-M54 HydrophobicContact CG2-SD 4Å
33	H	92.7	Very high	92.1	Very high	95 Å²	95	79.7 Å²	79.7	44%	0.44	36%	0.364	S	S	.	.	S	Bend	trans	-71.5	-42.1	178.3	-75.1	-96.4	0	0	0	112.2	R53	H33-R53 HydrophobicContact CB-CB 4.49Å; H33-R53 WeakPolarHBondContact CB-O 3.45Å; H33-R53 PolarHBondContact N-O 3.09Å
34	D	92.1	Very high	91.8	Very high	47 Å²	47	77.9 Å²	77.9	25%	0.251	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	142.2	-174	-147.9	-19.9	0	0	0	109.6	V52 R53 F88	D34-V52 CarbonylContact O-C 3.58Å; D34-V52 WeakPolarHBondContact O-CA 3.32Å; D34-R53 HydrophobicContact CB-CB 3.79Å; D34-R53 PolarHBondContact N-O 3.3Å; D34-R53 PolarHBondContact O-N 3.46Å; D34-R53 IonicContact OD2-CZ 3.84Å; D34-R53 IonicContact OD2-NH1 3.82Å; D34-R53 PolarHBondContact OD2-NH1 3.03Å; D34-R53 IonicContact OD2-NH2 3.97Å; D34-F88 HydrophobicContact CB-CD1 3.5Å; D34-F88 VanDerWaalsContact CB-CD1 3.5Å; D34-F88 HydrophobicContact CB-CE1 3.74Å; D34-F88 HydrophobicContact CB-CG 4.08Å; D34-F88 HydrophobicContact CB-CZ 4.49Å; D34-F88 VanDerWaalsContact OD1-CD1 3.31Å; D34-F88 WeakPolarHBondContact OD1-CD1 3.22Å; D34-F88 WeakPolarHBondContact OD2-CB 3.32Å; D34-F88 WeakPolarHBondContact OD2-CD1 3.45Å; D34-F88 VanDerWaalsContact OD2-CG 3.32Å; D34-F88 WeakPolarHBondContact OD2-CG 2.99Å
35	L	93	Very high	91.5	Very high	23 Å²	23	77.8 Å²	77.8	12%	0.12	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	126	-178.1	-177.7	145.1	0	0	0	109.4	P19 L22 R23 V32 I37 F51 V52	P19-L35 HydrophobicContact CB-CD2 3.74Å; L22-L35 HydrophobicContact CB-CD1 4.29Å; L22-L35 HydrophobicContact CD2-CD1 4.09Å; L22-L35 HydrophobicContact CG-CD1 4.06Å; R23-L35 HydrophobicContact CB-CD1 4.11Å; V32-L35 HydrophobicContact CG1-CB 4.08Å; L35-I37 HydrophobicContact CD2-CD1 4.39Å; L35-I37 HydrophobicContact CD2-CG1 4.06Å; L35-F51 WeakPolarHBondContact CA-O 3.38Å; L35-V52 HydrophobicContact CD1-CG2 4.04Å; L35-V52 HydrophobicContact CG-CG2 4.25Å
36	H	91.9	Very high	91.4	Very high	32 Å²	32	79.3 Å²	79.3	15%	0.148	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	121.7	179.7	-178.6	63.6	0	0	0	111	F51 L87 F88 Y93	H36-F51 HydrophobicContact CB-CB 4.49Å; H36-F51 PolarHBondContact N-O 2.97Å; H36-F51 PolarHBondContact O-N 3Å; H36-L87 PolarHBondContact CD2-O 2.99Å; H36-F88 HydrophobicContact CB-CD1 3.84Å; H36-F88 HydrophobicContact CB-CE1 4.1Å; H36-Y93 AromaticContact CE1-CD2 3.67Å; H36-Y93 AromaticContact CE1-CE2 3.57Å; H36-Y93 AromaticContact NE2-CE2 3.52Å; H36-Y93 AromaticContact NE2-CZ 3.76Å
37	I	92.9	Very high	91.4	Very high	4 Å²	4	84.2 Å²	84.2	2%	0.021	40%	0.397	C	S	.	.			trans	-110.6	114.5	168.6	-56.3	-177.1	0	0	0	107	P19 L22 L35 W46 S49 A50	P19-I37 HydrophobicContact CB-CD1 4.19Å; L22-I37 HydrophobicContact CB-CD1 4.38Å; L22-I37 HydrophobicContact CD2-CD1 3.78Å; L22-I37 HydrophobicContact CD2-CG1 4.22Å; L35-I37 HydrophobicContact CD2-CD1 4.39Å; L35-I37 HydrophobicContact CD2-CG1 4.06Å; I37-W46 HydrophobicContact CB-CE3 4.07Å; I37-W46 HydrophobicContact CG2-CB 3.84Å; I37-W46 HydrophobicContact CG2-CD2 4.48Å; I37-W46 HydrophobicContact CG2-CE3 4.09Å; I37-W46 HydrophobicContact CG2-CG 4.41Å; I37-W46 VanDerWaalsContact O-CE3 3.26Å; I37-W46 VanDerWaalsContact O-CZ3 3.24Å; I37-W46 WeakPolarHBondContact O-CZ3 3.37Å; I37-S49 WeakPolarHBondContact CG2-O 3.36Å; I37-A50 HydrophobicContact CD1-CB 4.48Å; I37-A50 HydrophobicContact CG1-CB 3.88Å
38	P	89.9	Confident	91.3	Very high	14 Å²	14	83.3 Å²	83.3	9%	0.091	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-63.2	147.8	176.4	-20.4	32.4	0	0	0	111.3	K47 S49 F51	P38-K47 HydrophobicContact CB-CD 4.21Å; P38-K47 WeakPolarHBondContact O-CB 3.3Å; P38-K47 WeakPolarHBondContact O-CG 3.44Å; P38-K47 PolarHBondContact O-N 2.81Å; P38-S49 WeakPolarHBondContact CD-O 3.05Å; P38-F51 HydrophobicContact CG-CD2 4.14Å; P38-F51 HydrophobicContact CG-CE2 3.8Å
39	K	88.9	Confident	91.2	Very high	111 Å²	111	78.6 Å²	78.6	48%	0.483	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-91.9	149.5	171	-67.9	-178.2	176	-169.9	0	111.6	G44 K45 W46 K47	K39-G44 WeakPolarHBondContact CD-O 3.26Å; K39-K45 CarbonylContact C-O 3.45Å; K39-K45 WeakPolarHBondContact CA-O 3.42Å; K39-W46 HydrophobicContact CD-CE3 4.17Å; K39-W46 HydrophobicContact CD-CH2 4.23Å; K39-W46 HydrophobicContact CD-CZ3 3.89Å; K39-W46 VanDerWaalsContact CE-CZ2 3.43Å; K39-W46 HydrophobicContact CG-CD2 4.17Å; K39-W46 HydrophobicContact CG-CE3 3.37Å; K39-W46 HydrophobicContact CG-CH2 4.27Å; K39-W46 HydrophobicContact CG-CZ3 3.45Å; K39-W46 VanDerWaalsContact CG-CZ3 3.45Å; K39-K47 WeakPolarHBondContact O-CE 3.47Å
40	S	88.7	Confident	91.4	Very high	35 Å²	35	75.9 Å²	75.9	25%	0.245	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-67.3	128.7	165.9	174.2	0	0	0	0	109.9	K42 T43 G44 K45	S40-K42 PolarHBondContact O-N 2.91Å; S40-K42 PolarHBondContact OG-N 2.91Å; S40-T43 WeakPolarHBondContact CB-OG1 3.42Å; S40-T43 PolarHBondContact OG-N 3.34Å; S40-T43 PolarHBondContact OG-OG1 2.81Å; S40-G44 VanDerWaalsContact O-CA 3.3Å; S40-G44 WeakPolarHBondContact O-CA 3.25Å; S40-G44 PolarHBondContact O-N 3.34Å; S40-K45 PolarHBondContact N-O 2.77Å
41	R	86	Confident	91.4	Very high	258 Å²	258	76.3 Å²	76.3	97%	0.974	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-29.2	177.1	-66.9	-174.7	-178	179.4	2.4	112.7
42	K	88.4	Confident	91.5	Very high	199 Å²	199	68.8 Å²	68.8	87%	0.865	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-41.5	-176.5	-173.5	175.3	-178.7	178.4	0	112.5	S40	S40-K42 PolarHBondContact O-N 2.91Å; S40-K42 PolarHBondContact OG-N 2.91Å
43	T	89.3	Confident	91.5	Very high	88 Å²	88	69.8 Å²	69.8	54%	0.54	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-11.8	-171.8	58	0	0	0	0	113.9	S40 K45	S40-T43 WeakPolarHBondContact CB-OG1 3.42Å; S40-T43 PolarHBondContact OG-N 3.34Å; S40-T43 PolarHBondContact OG-OG1 2.81Å; T43-K45 PolarHBondContact O-N 2.92Å
44	G	87.5	Confident	91.5	Very high	44 Å²	44	65.2 Å²	65.2	45%	0.454	31%	0.308	S	S	.	.			trans	68.1	-6.7	-174.4	0	0	0	0	0	114.9	K39 S40	K39-G44 WeakPolarHBondContact CD-O 3.26Å; S40-G44 VanDerWaalsContact O-CA 3.3Å; S40-G44 WeakPolarHBondContact O-CA 3.25Å; S40-G44 PolarHBondContact O-N 3.34Å
45	K	89.5	Confident	91.6	Very high	157 Å²	157	64.6 Å²	64.6	68%	0.683	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-71.8	154.2	176.9	-62.2	-173.6	178.7	-175.2	0	110.8	K39 S40 T43	K39-K45 CarbonylContact C-O 3.45Å; K39-K45 WeakPolarHBondContact CA-O 3.42Å; S40-K45 PolarHBondContact N-O 2.77Å; T43-K45 PolarHBondContact O-N 2.92Å
46	W	92.2	Very high	91.7	Very high	109 Å²	109	66.8 Å²	66.8	41%	0.413	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-58.5	140.6	170.1	-56.3	121.1	0	0	0	110.6	P19 I37 K39	P19-W46 HydrophobicContact CG-CH2 4.2Å; P19-W46 HydrophobicContact CG-CZ2 3.79Å; I37-W46 HydrophobicContact CB-CE3 4.07Å; I37-W46 HydrophobicContact CG2-CB 3.84Å; I37-W46 HydrophobicContact CG2-CD2 4.48Å; I37-W46 HydrophobicContact CG2-CE3 4.09Å; I37-W46 HydrophobicContact CG2-CG 4.41Å; I37-W46 VanDerWaalsContact O-CE3 3.26Å; I37-W46 VanDerWaalsContact O-CZ3 3.24Å; I37-W46 WeakPolarHBondContact O-CZ3 3.37Å; K39-W46 HydrophobicContact CD-CE3 4.17Å; K39-W46 HydrophobicContact CD-CH2 4.23Å; K39-W46 HydrophobicContact CD-CZ3 3.89Å; K39-W46 VanDerWaalsContact CE-CZ2 3.43Å; K39-W46 HydrophobicContact CG-CD2 4.17Å; K39-W46 HydrophobicContact CG-CE3 3.37Å; K39-W46 HydrophobicContact CG-CH2 4.27Å; K39-W46 HydrophobicContact CG-CZ3 3.45Å; K39-W46 VanDerWaalsContact CG-CZ3 3.45Å
47	K	92.5	Very high	91.7	Very high	103 Å²	103	72.5 Å²	72.5	45%	0.448	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-77.5	170.6	172	-68.3	-167.6	-176.6	-175	0	110.5	P38 K39 S49	P38-K47 HydrophobicContact CB-CD 4.21Å; P38-K47 WeakPolarHBondContact O-CB 3.3Å; P38-K47 WeakPolarHBondContact O-CG 3.44Å; P38-K47 PolarHBondContact O-N 2.81Å; K39-K47 WeakPolarHBondContact O-CE 3.47Å; K47-S49 PolarHBondContact O-N 3.25Å
48	D	92.6	Very high	91.8	Very high	68 Å²	68	74 Å²	74	36%	0.364	36%	0.355	S	S	.	.	S	Bend	trans	-85	20.4	173.1	61.6	-19.9	0	0	0	113.1	T11 R12 L13 K74	T11-D48 CarbonylContact C-O 3.5Å; R12-D48 PolarHBondContact N-O 2.8Å; L13-D48 PolarHBondContact N-O 2.89Å; L13-D48 WeakPolarHBondContact O-CB 3.45Å; D48-K74 IonicContact OD2-NZ 3.89Å
49	S	94	Very high	92	Very high	21 Å²	21	73.3 Å²	73.3	15%	0.147	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140	175.2	64.9	0	0	0	0	111.7	I10 I37 P38 K47	I10-S49 CarbonylContact O-C 3.58Å; I10-S49 VanDerWaalsContact O-CA 3.23Å; I10-S49 WeakPolarHBondContact O-CA 3.33Å; I37-S49 WeakPolarHBondContact CG2-O 3.36Å; P38-S49 WeakPolarHBondContact CD-O 3.05Å; K47-S49 PolarHBondContact O-N 3.25Å
50	A	94.9	Very high	92.3	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.1	178.4	0	0	0	0	0	111.1	H9 I10 L13 L22 I37	H9-A50 WeakPolarHBondContact CA-O 3.48Å; I10-A50 HydrophobicContact CB-CB 4.46Å; I10-A50 PolarHBondContact N-O 3.21Å; I10-A50 PolarHBondContact O-N 3.48Å; L13-A50 HydrophobicContact CD1-CB 3.48Å; L13-A50 VanDerWaalsContact CD1-CB 3.48Å; L22-A50 HydrophobicContact CD2-CB 3.37Å; I37-A50 HydrophobicContact CD1-CB 4.48Å; I37-A50 HydrophobicContact CG1-CB 3.88Å
51	F	94.9	Very high	92.6	Very high	29 Å²	29	73.9 Å²	73.9	13%	0.127	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.6	173.2	-60.5	-83.5	0	0	0	108.4	V7 L8 H9 L35 H36 P38 L81 L87 F88	V7-F51 HydrophobicContact CG1-CB 4.1Å; V7-F51 HydrophobicContact CG1-CD1 4.15Å; L8-F51 CarbonylContact O-C 3.56Å; L8-F51 VanDerWaalsContact O-CA 3.3Å; L8-F51 WeakPolarHBondContact O-CA 3.4Å; H9-F51 HydrophobicContact CB-CD1 4.34Å; H9-F51 HydrophobicContact CB-CE1 4.26Å; H9-F51 AromaticContact CD2-CD1 3.86Å; H9-F51 AromaticContact CD2-CE1 3.28Å; H9-F51 WeakPolarHBondContact CD2-CE1 3.45Å; H9-F51 AromaticContact CD2-CZ 3.61Å; H9-F51 AromaticContact CG-CE1 3.92Å; H9-F51 AromaticContact NE2-CE1 3.93Å; H9-F51 AromaticContact NE2-CZ 3.85Å; L35-F51 WeakPolarHBondContact CA-O 3.38Å; H36-F51 HydrophobicContact CB-CB 4.49Å; H36-F51 PolarHBondContact N-O 2.97Å; H36-F51 PolarHBondContact O-N 3Å; P38-F51 HydrophobicContact CG-CD2 4.14Å; P38-F51 HydrophobicContact CG-CE2 3.8Å; F51-L81 HydrophobicContact CE1-CD1 4.45Å; F51-L87 HydrophobicContact CD1-CD1 3.69Å; F51-L87 HydrophobicContact CD1-CD2 4.3Å; F51-L87 HydrophobicContact CE1-CD1 4.11Å; F51-L87 HydrophobicContact CE1-CD2 4.17Å; F51-L87 HydrophobicContact CE2-CD2 4.4Å; F51-L87 HydrophobicContact CG-CD1 4.17Å; F51-L87 HydrophobicContact CG-CD2 4.44Å; F51-L87 HydrophobicContact CZ-CD2 4.23Å; F51-F88 HydrophobicContact CB-CE1 4.29Å; F51-F88 HydrophobicContact CB-CZ 3.97Å; F51-F88 WeakPolarHBondContact O-CE1 3.35Å
52	V	94.9	Very high	93.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	119.1	-174.7	-172.3	0	0	0	0	109	V7 L8 I10 I26 V32 D34 L35 M54	V7-V52 CarbonylContact C-O 3.53Å; V7-V52 WeakPolarHBondContact CA-O 3.36Å; L8-V52 HydrophobicContact CB-CB 4.34Å; L8-V52 PolarHBondContact N-O 2.77Å; L8-V52 PolarHBondContact O-N 2.97Å; I10-V52 HydrophobicContact CD1-CG2 4.06Å; I26-V52 HydrophobicContact CD1-CB 4.36Å; I26-V52 HydrophobicContact CD1-CG1 4.11Å; I26-V52 HydrophobicContact CD1-CG2 3.68Å; I26-V52 HydrophobicContact CG2-CG1 4.37Å; V32-V52 HydrophobicContact CG1-CG1 3.65Å; V32-V52 HydrophobicContact CG2-CG1 4.15Å; D34-V52 CarbonylContact O-C 3.58Å; D34-V52 WeakPolarHBondContact O-CA 3.32Å; L35-V52 HydrophobicContact CD1-CG2 4.04Å; L35-V52 HydrophobicContact CG-CG2 4.25Å; V52-M54 HydrophobicContact CG1-CG 3.9Å; V52-M54 HydrophobicContact CG1-SD 4.25Å
53	R	94.2	Very high	93.5	Very high	28 Å²	28	52.8 Å²	52.8	11%	0.106	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.8	177.8	-166	-173.3	-69.6	122.7	4.9	109.8	L5 V6 V7 H33 D34 D83 F88	L5-R53 HydrophobicContact CB-CG 3.98Å; L5-R53 HydrophobicContact CD1-CG 4.38Å; V6-R53 WeakPolarHBondContact O-CA 3.49Å; V7-R53 HydrophobicContact CG2-CB 4.44Å; V7-R53 HydrophobicContact CG2-CG 4.33Å; H33-R53 HydrophobicContact CB-CB 4.49Å; H33-R53 WeakPolarHBondContact CB-O 3.45Å; H33-R53 PolarHBondContact N-O 3.09Å; D34-R53 HydrophobicContact CB-CB 3.79Å; D34-R53 PolarHBondContact N-O 3.3Å; D34-R53 PolarHBondContact O-N 3.46Å; D34-R53 IonicContact OD2-CZ 3.84Å; D34-R53 IonicContact OD2-NH1 3.82Å; D34-R53 PolarHBondContact OD2-NH1 3.03Å; D34-R53 IonicContact OD2-NH2 3.97Å; R53-D83 IonicContact CZ-OD1 2.86Å; R53-D83 IonicContact NE-OD1 3.97Å; R53-D83 PolarHBondContact NE-OD1 3.43Å; R53-D83 IonicContact NH2-OD1 3.72Å; R53-F88 HydrophobicContact CB-CE1 4.21Å; R53-F88 HydrophobicContact CB-CE2 4.17Å; R53-F88 HydrophobicContact CB-CZ 3.75Å
54	M	93.5	Very high	93.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	172.3	179.5	-58.7	-157	-55.8	0	0	111.6	L5 V6 L8 I26 V32 V52 V58 V62	L5-M54 WeakPolarHBondContact CA-O 3.31Å; V6-M54 PolarHBondContact N-O 3.14Å; V6-M54 PolarHBondContact O-N 3.37Å; L8-M54 HydrophobicContact CD1-CE 3.36Å; L8-M54 HydrophobicContact CG-CE 4.35Å; I26-M54 HydrophobicContact CG2-CE 4.16Å; I26-M54 HydrophobicContact CG2-SD 3.52Å; I26-M54 VanDerWaalsContact CG2-SD 3.52Å; V32-M54 HydrophobicContact CG2-SD 4Å; V52-M54 HydrophobicContact CG1-CG 3.9Å; V52-M54 HydrophobicContact CG1-SD 4.25Å; M54-V58 HydrophobicContact CE-CG1 4.32Å; M54-V62 HydrophobicContact CE-CB 3.68Å; M54-V62 HydrophobicContact CE-CG1 3.98Å; M54-V62 HydrophobicContact CE-CG2 3.49Å; M54-V62 VanDerWaalsContact CE-CG2 3.49Å
55	S	94.2	Very high	94	Very high	33 Å²	33	52.8 Å²	52.8	23%	0.231	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	143.6	171	56.9	0	0	0	0	110.9	E57 V58 A59	S55-E57 PolarHBondContact O-N 3.45Å; S55-E57 VanDerWaalsContact O-N 3.15Å; S55-V58 PolarHBondContact O-N 3.48Å; S55-V58 WeakPolarHBondContact OG-CG2 3.28Å; S55-A59 WeakPolarHBondContact O-CB 3.34Å; S55-A59 PolarHBondContact O-N 3.09Å
56	N	94.1	Very high	94.1	Very high	70 Å²	70	45.6 Å²	45.6	37%	0.374	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.7	177.7	-169.1	41.1	0	0	0	113.5	N4 V6 P60	N4-N56 HydrophobicContact CB-CB 4.35Å; N4-N56 WeakPolarHBondContact O-CB 3.39Å; N4-N56 PolarHBondContact O-N 3.4Å; V6-N56 HydrophobicContact CG1-CB 4.05Å; V6-N56 WeakPolarHBondContact CG1-OD1 3.46Å; V6-N56 HydrophobicContact CG2-CB 4.47Å; N56-P60 WeakPolarHBondContact O-CD 3.49Å
57	E	93.1	Very high	94.2	Very high	151 Å²	151	43 Å²	43	71%	0.706	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-38.9	177.8	-63	174.9	178.4	0	0	112	S55	S55-E57 PolarHBondContact O-N 3.45Å; S55-E57 VanDerWaalsContact O-N 3.15Å
58	V	94.4	Very high	94.2	Very high	35 Å²	35	43.4 Å²	43.4	21%	0.212	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-27.1	-176.2	-179	0	0	0	0	111.8	F29 M54 S55 L61 V62	F29-V58 WeakPolarHBondContact O-CG1 3.29Å; M54-V58 HydrophobicContact CE-CG1 4.32Å; S55-V58 PolarHBondContact O-N 3.48Å; S55-V58 WeakPolarHBondContact OG-CG2 3.28Å; V58-L61 WeakPolarHBondContact O-CB 3.28Å; V58-L61 PolarHBondContact O-N 3.36Å; V58-V62 HydrophobicContact CG1-CG2 3.99Å; V58-V62 PolarHBondContact O-N 2.91Å; V58-V62 VanDerWaalsContact O-N 3.15Å
59	A	94.8	Very high	94.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.1	-42.7	-176.3	0	0	0	0	0	114.8	V6 L8 S55 L61 V62 S63	V6-A59 HydrophobicContact CG2-CB 3.19Å; L8-A59 HydrophobicContact CD2-CB 3.96Å; L8-A59 HydrophobicContact CG-CB 4.27Å; S55-A59 WeakPolarHBondContact O-CB 3.34Å; S55-A59 PolarHBondContact O-N 3.09Å; A59-L61 PolarHBondContact O-N 3.35Å; A59-V62 PolarHBondContact O-N 2.83Å; A59-S63 VanDerWaalsContact O-CB 3.29Å; A59-S63 WeakPolarHBondContact O-CB 3.03Å; A59-S63 PolarHBondContact O-N 2.87Å
60	P	95.2	Very high	93.9	Very high	61 Å²	61	48.5 Å²	48.5	40%	0.396	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-40.1	175.8	-24.8	34.9	0	0	0	113.4	N56 S63 S64 I80	N56-P60 WeakPolarHBondContact O-CD 3.49Å; P60-S63 PolarHBondContact O-N 2.92Å; P60-S64 WeakPolarHBondContact O-CB 3.34Å; P60-S64 PolarHBondContact O-N 2.92Å; P60-S64 PolarHBondContact O-OG 2.63Å; P60-I80 HydrophobicContact CB-CD1 4.35Å; P60-I80 HydrophobicContact CG-CD1 4.22Å
61	L	95.2	Very high	93.5	Very high	98 Å²	98	51.4 Å²	51.4	51%	0.513	28%	0.279	S	S	.	.	H	α-helix	trans	-59.3	-55.8	176.3	179.7	67.5	0	0	0	109.9	V58 A59 S63 S64 T65	V58-L61 WeakPolarHBondContact O-CB 3.28Å; V58-L61 PolarHBondContact O-N 3.36Å; A59-L61 PolarHBondContact O-N 3.35Å; L61-S63 VanDerWaalsContact C-N 3.31Å; L61-S63 PolarHBondContact O-N 3.17Å; L61-S64 PolarHBondContact O-N 3.49Å; L61-S64 VanDerWaalsContact O-N 3.12Å; L61-S64 PolarHBondContact O-OG 3.37Å; L61-T65 PolarHBondContact O-N 2.81Å; L61-T65 PolarHBondContact O-OG1 3.03Å
62	V	95.8	Very high	92.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-41.3	-179.6	177.2	0	0	0	0	111.8	L8 I26 F29 M54 V58 A59 S64 T65 L66	L8-V62 HydrophobicContact CD1-CB 3.87Å; L8-V62 HydrophobicContact CD1-CG1 3.65Å; I26-V62 HydrophobicContact CG2-CG1 4.28Å; F29-V62 HydrophobicContact CB-CG2 3.4Å; F29-V62 VanDerWaalsContact CB-CG2 3.4Å; F29-V62 HydrophobicContact CD2-CG1 4.47Å; F29-V62 HydrophobicContact CD2-CG2 4.01Å; F29-V62 HydrophobicContact CG-CG2 3.85Å; M54-V62 HydrophobicContact CE-CB 3.68Å; M54-V62 HydrophobicContact CE-CG1 3.98Å; M54-V62 HydrophobicContact CE-CG2 3.49Å; M54-V62 VanDerWaalsContact CE-CG2 3.49Å; V58-V62 HydrophobicContact CG1-CG2 3.99Å; V58-V62 PolarHBondContact O-N 2.91Å; V58-V62 VanDerWaalsContact O-N 3.15Å; A59-V62 PolarHBondContact O-N 2.83Å; V62-S64 VanDerWaalsContact C-N 3.34Å; V62-S64 PolarHBondContact O-N 3.3Å; V62-T65 PolarHBondContact O-N 2.81Å; V62-L66 HydrophobicContact CG1-CD1 3.7Å; V62-L66 HydrophobicContact CG1-CG 4.28Å; V62-L66 WeakPolarHBondContact O-CB 3.15Å; V62-L66 PolarHBondContact O-N 2.89Å
63	S	95.9	Very high	92.6	Very high	14 Å²	14	64.5 Å²	64.5	10%	0.098	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-43.6	176.5	-171.1	0	0	0	0	111.5	A59 P60 L61 N67	A59-S63 VanDerWaalsContact O-CB 3.29Å; A59-S63 WeakPolarHBondContact O-CB 3.03Å; A59-S63 PolarHBondContact O-N 2.87Å; P60-S63 PolarHBondContact O-N 2.92Å; L61-S63 VanDerWaalsContact C-N 3.31Å; L61-S63 PolarHBondContact O-N 3.17Å; S63-N67 WeakPolarHBondContact O-CB 3.07Å; S63-N67 PolarHBondContact O-N 3.13Å
64	S	94.8	Very high	92.5	Very high	81 Å²	81	67.7 Å²	67.7	57%	0.566	36%	0.359	S	S	*	.	H	α-helix	trans	-66.5	-37.2	178.6	72.7	0	0	0	0	112.5	P60 L61 V62	P60-S64 WeakPolarHBondContact O-CB 3.34Å; P60-S64 PolarHBondContact O-N 2.92Å; P60-S64 PolarHBondContact O-OG 2.63Å; L61-S64 PolarHBondContact O-N 3.49Å; L61-S64 VanDerWaalsContact O-N 3.12Å; L61-S64 PolarHBondContact O-OG 3.37Å; V62-S64 VanDerWaalsContact C-N 3.34Å; V62-S64 PolarHBondContact O-N 3.3Å
65	T	93.1	Very high	92.5	Very high	51 Å²	51	71.2 Å²	71.2	31%	0.313	38%	0.377	S	S	.	.	H	α-helix	trans	-71.8	-39.5	178.3	-51.1	0	0	0	0	112.2	F29 L61 V62 L69	F29-T65 HydrophobicContact CE1-CG2 3.98Å; F29-T65 HydrophobicContact CZ-CG2 3.81Å; L61-T65 PolarHBondContact O-N 2.81Å; L61-T65 PolarHBondContact O-OG1 3.03Å; V62-T65 PolarHBondContact O-N 2.81Å; T65-L69 WeakPolarHBondContact O-CD1 3.19Å; T65-L69 WeakPolarHBondContact O-CD2 3.45Å; T65-L69 WeakPolarHBondContact O-CG 3.32Å
66	L	92.2	Very high	92.6	Very high	5 Å²	5	70.2 Å²	70.2	3%	0.026	37%	0.369	C	S	.	.	H	α-helix	trans	-84.6	-26.1	-177.2	-78.3	179.4	0	0	0	114	I10 Y25 V62 L69 I76 C78	I10-L66 HydrophobicContact CD1-CD1 3.73Å; I10-L66 HydrophobicContact CG1-CD1 4.31Å; Y25-L66 HydrophobicContact CE1-CD2 3.59Å; Y25-L66 HydrophobicContact CE1-CG 4.48Å; V62-L66 HydrophobicContact CG1-CD1 3.7Å; V62-L66 HydrophobicContact CG1-CG 4.28Å; V62-L66 WeakPolarHBondContact O-CB 3.15Å; V62-L66 PolarHBondContact O-N 2.89Å; L66-L69 HydrophobicContact CD2-CD1 3.79Å; L66-I76 WeakPolarHBondContact O-CG2 3.45Å; L66-C78 HydrophobicContact CB-CB 4.04Å
67	N	93.7	Very high	92.7	Very high	55 Å²	55	71 Å²	71	29%	0.294	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	136.2	-178.3	-168	42.9	0	0	0	110.3	S63 L69 C78	S63-N67 WeakPolarHBondContact O-CB 3.07Å; S63-N67 PolarHBondContact O-N 3.13Å; N67-L69 VanDerWaalsContact C-N 3.25Å; N67-L69 PolarHBondContact O-N 3.5Å; N67-C78 HydrophobicContact CB-CB 4.2Å; N67-C78 PolarHBondContact OD1-N 2.77Å
68	N	92.2	Very high	92.8	Very high	112 Å²	112	64.2 Å²	64.2	60%	0.599	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	18.2	-179.5	-56.9	-37.6	0	0	0	116	L70 I75 I76	N68-L70 PolarHBondContact O-N 3.12Å; N68-I75 VanDerWaalsContact CA-CG2 3.46Å; N68-I75 HydrophobicContact CB-CG2 4.26Å; N68-I76 PolarHBondContact N-O 2.88Å
69	L	90.2	Very high	92.9	Very high	64 Å²	64	65.8 Å²	65.8	34%	0.335	34%	0.343	S	S	.	.			trans	-70.1	123.1	170.5	-67.7	-177.9	0	0	0	111	T65 L66 N67 Q71 I75 I76	T65-L69 WeakPolarHBondContact O-CD1 3.19Å; T65-L69 WeakPolarHBondContact O-CD2 3.45Å; T65-L69 WeakPolarHBondContact O-CG 3.32Å; L66-L69 HydrophobicContact CD2-CD1 3.79Å; N67-L69 VanDerWaalsContact C-N 3.25Å; N67-L69 PolarHBondContact O-N 3.5Å; L69-Q71 PolarHBondContact O-N 3.05Å; L69-I75 CarbonylContact O-C 3.52Å; L69-I75 WeakPolarHBondContact O-CA 3.48Å; L69-I76 HydrophobicContact CB-CB 4.33Å; L69-I76 HydrophobicContact CB-CD1 4.32Å; L69-I76 PolarHBondContact O-N 3.24Å
70	L	90.4	Very high	92.9	Very high	132 Å²	132	69.4 Å²	69.4	69%	0.691	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	114	172.2	-177.6	63.8	0	0	0	109.5	N68 I75	N68-L70 PolarHBondContact O-N 3.12Å; L70-I75 HydrophobicContact CD1-CG1 4.08Å
71	Q	85.9	Confident	92.9	Very high	60 Å²	60	69.3 Å²	69.3	28%	0.28	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	106.9	175.6	178.3	58.4	-42.6	0	0	110.2	P14 L69 N73 K74 I76	P14-Q71 HydrophobicContact CB-CG 3.99Å; P14-Q71 HydrophobicContact CG-CG 3.82Å; L69-Q71 PolarHBondContact O-N 3.05Å; Q71-N73 PolarHBondContact O-N 3.42Å; Q71-K74 CarbonylContact C-O 3.53Å; Q71-K74 WeakPolarHBondContact CA-O 3.23Å; Q71-K74 PolarHBondContact N-O 3.35Å; Q71-K74 PolarHBondContact O-N 2.83Å; Q71-I76 HydrophobicContact CB-CD1 4.2Å; Q71-I76 HydrophobicContact CB-CG1 4.27Å
72	F	83.1	Confident	92.8	Very high	143 Å²	143	69.8 Å²	69.8	63%	0.627	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	-111.7	-170	-53.7	-76.1	0	0	0	110.6
73	N	88.5	Confident	92.5	Very high	162 Å²	162	72.5 Å²	72.5	87%	0.866	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	12.1	-178.8	-53.7	79.8	0	0	0	113.3	Q71	Q71-N73 PolarHBondContact O-N 3.42Å
74	K	91.6	Very high	92	Very high	94 Å²	94	75.3 Å²	75.3	41%	0.409	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.5	-175.7	-65.8	-174	178	-170.8	0	111.2	R12 D48 Q71	R12-K74 HydrophobicContact CB-CB 4.47Å; R12-K74 HydrophobicContact CB-CD 4.38Å; D48-K74 IonicContact OD2-NZ 3.89Å; Q71-K74 CarbonylContact C-O 3.53Å; Q71-K74 WeakPolarHBondContact CA-O 3.23Å; Q71-K74 PolarHBondContact N-O 3.35Å; Q71-K74 PolarHBondContact O-N 2.83Å
75	I	95.1	Very high	91.2	Very high	74 Å²	74	78.4 Å²	78.4	38%	0.379	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.8	171.9	-62	174.8	0	0	0	107.9	R12 N68 L69 L70	R12-I75 WeakPolarHBondContact CD-O 3.43Å; R12-I75 PolarHBondContact NE-O 3.3Å; R12-I75 PolarHBondContact NH2-O 2.97Å; N68-I75 VanDerWaalsContact CA-CG2 3.46Å; N68-I75 HydrophobicContact CB-CG2 4.26Å; L69-I75 CarbonylContact O-C 3.52Å; L69-I75 WeakPolarHBondContact O-CA 3.48Å; L70-I75 HydrophobicContact CD1-CG1 4.08Å
76	I	95.2	Very high	90.6	Very high	13 Å²	13	84.8 Å²	84.8	7%	0.067	42%	0.416	C	S	.	.			trans	-69.6	136.5	174.9	-61.8	178	0	0	0	108.5	I10 L66 N68 L69 Q71	I10-I76 HydrophobicContact CG2-CG2 3.69Å; L66-I76 WeakPolarHBondContact O-CG2 3.45Å; N68-I76 PolarHBondContact N-O 2.88Å; L69-I76 HydrophobicContact CB-CB 4.33Å; L69-I76 HydrophobicContact CB-CD1 4.32Å; L69-I76 PolarHBondContact O-N 3.24Å; Q71-I76 HydrophobicContact CB-CD1 4.2Å; Q71-I76 HydrophobicContact CB-CG1 4.27Å
77	K	95.8	Very high	90	Very high	87 Å²	87	86.4 Å²	86.4	38%	0.378	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.7	171.1	-156.6	-173.7	-174.2	-167.6	0	108.8	I10 T11 E79	I10-K77 WeakPolarHBondContact CA-O 3.34Å; T11-K77 PolarHBondContact N-O 3.39Å; T11-K77 PolarHBondContact O-N 2.76Å; T11-K77 WeakPolarHBondContact OG1-CB 3.24Å; K77-E79 HydrophobicContact CD-CG 4.46Å; K77-E79 WeakPolarHBondContact CE-OE1 3.39Å; K77-E79 IonicContact NZ-OE1 2.63Å; K77-E79 PolarHBondContact NZ-OE1 2.96Å
78	C	96.4	Very high	89.5	Confident	7 Å²	7	84.6 Å²	84.6	5%	0.047	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.1	172.9	-165.8	0	0	0	0	109.8	H9 L66 N67	H9-C78 WeakPolarHBondContact O-CA 3.42Å; L66-C78 HydrophobicContact CB-CB 4.04Å; N67-C78 HydrophobicContact CB-CB 4.2Å; N67-C78 PolarHBondContact OD1-N 2.77Å
79	E	95.3	Very high	88.7	Confident	69 Å²	69	86.2 Å²	86.2	32%	0.322	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.9	179.2	-65.5	174.4	167.4	0	0	109.6	H9 K77	H9-E79 PolarHBondContact N-O 3.15Å; H9-E79 IonicContact ND1-OE2 3.67Å; H9-E79 PolarHBondContact O-N 3.47Å; K77-E79 HydrophobicContact CD-CG 4.46Å; K77-E79 WeakPolarHBondContact CE-OE1 3.39Å; K77-E79 IonicContact NZ-OE1 2.63Å; K77-E79 PolarHBondContact NZ-OE1 2.96Å
80	I	96.2	Very high	87.2	Confident	76 Å²	76	87.8 Å²	87.8	39%	0.39	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.4	174.8	-50.3	179.8	0	0	0	108.4	V6 L8 P60	V6-I80 HydrophobicContact CB-CG2 4.12Å; V6-I80 HydrophobicContact CG2-CG2 4.12Å; L8-I80 HydrophobicContact CD2-CB 4.38Å; L8-I80 HydrophobicContact CD2-CG1 3.72Å; P60-I80 HydrophobicContact CB-CD1 4.35Å; P60-I80 HydrophobicContact CG-CD1 4.22Å
81	L	95	Very high	85.6	Confident	59 Å²	59	86.1 Å²	86.1	31%	0.309	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152.3	176.5	-59.1	-179.1	0	0	0	110.3	V7 H9 F51	V7-L81 HydrophobicContact CB-CB 4.39Å; V7-L81 PolarHBondContact N-O 3Å; V7-L81 WeakPolarHBondContact O-CA 3.36Å; V7-L81 WeakPolarHBondContact O-CB 3.37Å; V7-L81 PolarHBondContact O-N 3.21Å; H9-L81 HydrophobicContact CB-CD1 3.64Å; H9-L81 HydrophobicContact CB-CG 4.04Å; F51-L81 HydrophobicContact CE1-CD1 4.45Å
82	P	92.8	Very high	84	Confident	107 Å²	107	89.3 Å²	89.3	70%	0.695	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	154.7	171	27.6	-35.2	0	0	0	111.2	N84	P82-N84 PolarHBondContact O-N 3.11Å
83	D	89.5	Confident	82.5	Confident	58 Å²	58	89.3 Å²	89.3	31%	0.31	43%	0.434	S	S	.	.			trans	-59.8	111.4	-178.9	-177.4	32.3	0	0	0	111.9	L5 R53 K85	L5-D83 WeakPolarHBondContact O-CB 3.33Å; R53-D83 IonicContact CZ-OD1 2.86Å; R53-D83 IonicContact NE-OD1 3.97Å; R53-D83 PolarHBondContact NE-OD1 3.43Å; R53-D83 IonicContact NH2-OD1 3.72Å; D83-K85 WeakPolarHBondContact OD2-CE 3.46Å
84	N	84.1	Confident	80.8	Confident	72 Å²	72	87.9 Å²	87.9	39%	0.385	43%	0.425	S	S	.	.			trans	-113.8	94.1	174	-168.8	-19.1	0	0	0	110.1	P82 R86 L87	P82-N84 PolarHBondContact O-N 3.11Å; N84-R86 PolarHBondContact O-N 3Å; N84-R86 VanDerWaalsContact OD1-CB 3.26Å; N84-R86 WeakPolarHBondContact OD1-CB 3.39Å; N84-R86 PolarHBondContact OD1-N 3.06Å; N84-R86 VanDerWaalsContact OD1-N 3.09Å; N84-L87 HydrophobicContact CB-CD1 3.96Å; N84-L87 HydrophobicContact CB-CG 4.29Å; N84-L87 PolarHBondContact O-N 3.02Å
85	K	78.1	Confident	78.9	Confident	146 Å²	146	92.9 Å²	92.9	64%	0.635	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-56.2	-20.8	177.8	-63.9	-178.8	-177.3	176.2	0	114.2	D83 L87	D83-K85 WeakPolarHBondContact OD2-CE 3.46Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-L87 PolarHBondContact O-N 2.94Å
86	R	80.5	Confident	76.8	Confident	185 Å²	185	92.5 Å²	92.5	70%	0.698	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-71.4	-27.4	-177.7	-58.7	178.6	177.1	-178	0.4	113.1	N84 F88 R89	N84-R86 PolarHBondContact O-N 3Å; N84-R86 VanDerWaalsContact OD1-CB 3.26Å; N84-R86 WeakPolarHBondContact OD1-CB 3.39Å; N84-R86 PolarHBondContact OD1-N 3.06Å; N84-R86 VanDerWaalsContact OD1-N 3.09Å; R86-F88 PolarHBondContact O-N 2.69Å; R86-R89 PolarHBondContact O-N 3.23Å
87	L	80.2	Confident	75	Confident	40 Å²	40	97.2 Å²	97.2	21%	0.209	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-64.7	-25.8	-178.6	-69	167.2	0	0	0	112.6	V7 H36 F51 N84 K85	V7-L87 HydrophobicContact CG1-CD1 4.11Å; H36-L87 PolarHBondContact CD2-O 2.99Å; F51-L87 HydrophobicContact CD1-CD1 3.69Å; F51-L87 HydrophobicContact CD1-CD2 4.3Å; F51-L87 HydrophobicContact CE1-CD1 4.11Å; F51-L87 HydrophobicContact CE1-CD2 4.17Å; F51-L87 HydrophobicContact CE2-CD2 4.4Å; F51-L87 HydrophobicContact CG-CD1 4.17Å; F51-L87 HydrophobicContact CG-CD2 4.44Å; F51-L87 HydrophobicContact CZ-CD2 4.23Å; N84-L87 HydrophobicContact CB-CD1 3.96Å; N84-L87 HydrophobicContact CB-CG 4.29Å; N84-L87 PolarHBondContact O-N 3.02Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-L87 PolarHBondContact O-N 2.94Å
88	F	83.2	Confident	73.3	Confident	16 Å²	16	96.3 Å²	96.3	7%	0.07	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-110.9	13	-172.3	-53.3	-97.3	0	0	0	113.2	V7 D34 H36 F51 R53 R86 T90	V7-F88 HydrophobicContact CG1-CE2 4.14Å; V7-F88 HydrophobicContact CG1-CZ 4.01Å; V7-F88 HydrophobicContact CG2-CE2 3.67Å; V7-F88 HydrophobicContact CG2-CZ 4.08Å; D34-F88 HydrophobicContact CB-CD1 3.5Å; D34-F88 VanDerWaalsContact CB-CD1 3.5Å; D34-F88 HydrophobicContact CB-CE1 3.74Å; D34-F88 HydrophobicContact CB-CG 4.08Å; D34-F88 HydrophobicContact CB-CZ 4.49Å; D34-F88 VanDerWaalsContact OD1-CD1 3.31Å; D34-F88 WeakPolarHBondContact OD1-CD1 3.22Å; D34-F88 WeakPolarHBondContact OD2-CB 3.32Å; D34-F88 WeakPolarHBondContact OD2-CD1 3.45Å; D34-F88 VanDerWaalsContact OD2-CG 3.32Å; D34-F88 WeakPolarHBondContact OD2-CG 2.99Å; H36-F88 HydrophobicContact CB-CD1 3.84Å; H36-F88 HydrophobicContact CB-CE1 4.1Å; F51-F88 HydrophobicContact CB-CE1 4.29Å; F51-F88 HydrophobicContact CB-CZ 3.97Å; F51-F88 WeakPolarHBondContact O-CE1 3.35Å; R53-F88 HydrophobicContact CB-CE1 4.21Å; R53-F88 HydrophobicContact CB-CE2 4.17Å; R53-F88 HydrophobicContact CB-CZ 3.75Å; R86-F88 PolarHBondContact O-N 2.69Å; F88-T90 PolarHBondContact O-N 2.85Å
89	R	75.6	Confident	72	Confident	147 Å²	147	105.3 Å²	105.3	56%	0.555	51%	0.514	S	S	*	.			trans	-72.3	92.2	174.1	-73.4	-176.2	170.1	-173.1	-3	109.6	R86 S91 K92	R86-R89 PolarHBondContact O-N 3.23Å; R89-S91 PolarHBondContact O-N 2.89Å; R89-K92 PolarHBondContact O-N 3.36Å
90	T	59.7	Low	71	Confident	97 Å²	97	104.8 Å²	104.8	60%	0.595	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-42.6	-38	174.8	-56.4	0	0	0	0	113	F88 K92 Y93 L94	F88-T90 PolarHBondContact O-N 2.85Å; T90-K92 VanDerWaalsContact C-N 3.28Å; T90-K92 PolarHBondContact O-N 2.8Å; T90-K92 VanDerWaalsContact O-N 3.12Å; T90-Y93 PolarHBondContact O-N 2.8Å; T90-L94 HydrophobicContact CG2-CD1 3.85Å; T90-L94 HydrophobicContact CG2-CD2 4.49Å; T90-L94 PolarHBondContact O-N 2.98Å
91	S	55.4	Low	70	Confident	96 Å²	96	102.1 Å²	102.1	67%	0.671	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-55.4	-30.9	-176.1	172.2	0	0	0	0	115.3	R89	R89-S91 PolarHBondContact O-N 2.89Å
92	K	52	Low	69.3	Low	127 Å²	127	104.9 Å²	104.9	55%	0.552	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-80.5	-26.7	-176.9	-73.8	-175.3	179.3	-179.7	0	114.2	R89 T90 R95	R89-K92 PolarHBondContact O-N 3.36Å; T90-K92 VanDerWaalsContact C-N 3.28Å; T90-K92 PolarHBondContact O-N 2.8Å; T90-K92 VanDerWaalsContact O-N 3.12Å; K92-R95 WeakPolarHBondContact O-CG 3.3Å
93	Y	52.8	Low	68.9	Low	144 Å²	144	103.7 Å²	103.7	57%	0.565	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-16.8	178.4	-56.7	-78.1	0	0	0	112.5	H36 T90 R95	H36-Y93 AromaticContact CE1-CD2 3.67Å; H36-Y93 AromaticContact CE1-CE2 3.57Å; H36-Y93 AromaticContact NE2-CE2 3.52Å; H36-Y93 AromaticContact NE2-CZ 3.76Å; T90-Y93 PolarHBondContact O-N 2.8Å; Y93-R95 PolarHBondContact O-N 2.8Å
94	L	51.8	Low	68.7	Low	131 Å²	131	106.7 Å²	106.7	69%	0.686	52%	0.518	S	S	*	.			trans	-73.2	14.1	159.2	-113.4	73.1	0	0	0	113.1	T90 S96	T90-L94 HydrophobicContact CG2-CD1 3.85Å; T90-L94 HydrophobicContact CG2-CD2 4.49Å; T90-L94 PolarHBondContact O-N 2.98Å; L94-S96 PolarHBondContact O-N 2.78Å
95	R	52.1	Low	68.9	Low	200 Å²	200	108.4 Å²	108.4	76%	0.755	53%	0.527	S	S	*	.			trans	-62.5	84.8	155.8	-74.6	-176.6	177.8	-168.5	-1.1	106.5	K92 Y93 S97	K92-R95 WeakPolarHBondContact O-CG 3.3Å; Y93-R95 PolarHBondContact O-N 2.8Å; R95-S97 PolarHBondContact O-N 2.74Å
96	S	51.8	Low	69.3	Low	66 Å²	66	106.2 Å²	106.2	46%	0.462	52%	0.52	S	S	.	.			trans	-51.5	88.2	147.8	-174.1	0	0	0	0	104.5	L94 T98 S101	L94-S96 PolarHBondContact O-N 2.78Å; S96-T98 WeakPolarHBondContact OG-CG2 3.21Å; S96-T98 PolarHBondContact OG-OG1 2.71Å; S96-S101 PolarHBondContact O-OG 3.3Å
97	S	56.6	Low	69.8	Low	111 Å²	111	100.8 Å²	100.8	78%	0.776	51%	0.507	S	S	*	.			trans	-88.3	41.8	151.3	77.4	0	0	0	0	106.5	R95	R95-S97 PolarHBondContact O-N 2.74Å
98	T	60.5	Low	70.3	Confident	69 Å²	69	102.9 Å²	102.9	42%	0.423	52%	0.517	S	S	.	.			trans	-66.5	138.5	162.9	62.7	0	0	0	0	105.4	S96 A100 S101 H102	S96-T98 WeakPolarHBondContact OG-CG2 3.21Å; S96-T98 PolarHBondContact OG-OG1 2.71Å; T98-A100 PolarHBondContact O-N 3.43Å; T98-A100 VanDerWaalsContact O-N 3.09Å; T98-S101 PolarHBondContact O-N 3.43Å; T98-S101 PolarHBondContact O-OG 3.24Å; T98-S101 PolarHBondContact OG1-N 3.26Å; T98-S101 VanDerWaalsContact OG1-N 3.1Å; T98-H102 PolarHBondContact O-N 3.43Å
99	R	70	Confident	70.6	Confident	195 Å²	195	105 Å²	105	74%	0.736	54%	0.537	S	S	*	.	H	α-helix	trans	-45	-37.2	166.4	-173.3	-178.4	163.2	168	0.2	110.8	S101 H102 E103	R99-S101 PolarHBondContact O-N 3.18Å; R99-H102 WeakPolarHBondContact O-CB 3.49Å; R99-H102 PolarHBondContact O-N 2.94Å; R99-H102 VanDerWaalsContact O-N 3.09Å; R99-E103 HydrophobicContact CG-CG 4.33Å; R99-E103 WeakPolarHBondContact CG-OE1 3.3Å; R99-E103 IonicContact CZ-OE1 3.65Å; R99-E103 IonicContact NE-OE1 2.8Å; R99-E103 PolarHBondContact NE-OE1 3.47Å; R99-E103 IonicContact NH2-OE1 3.68Å; R99-E103 WeakPolarHBondContact O-CB 3.37Å; R99-E103 WeakPolarHBondContact O-CG 3.49Å; R99-E103 PolarHBondContact O-N 3.12Å
100	A	73.5	Confident	71.3	Confident	58 Å²	58	101.9 Å²	101.9	48%	0.479	54%	0.535	S	S	.	.	H	α-helix	trans	-55.3	-46.2	173.7	0	0	0	0	0	114.2	T98 H102 E103 E104	T98-A100 PolarHBondContact O-N 3.43Å; T98-A100 VanDerWaalsContact O-N 3.09Å; A100-H102 VanDerWaalsContact C-N 3.31Å; A100-H102 PolarHBondContact O-N 3Å; A100-E103 PolarHBondContact O-N 3.49Å; A100-E104 VanDerWaalsContact O-CB 3.3Å; A100-E104 WeakPolarHBondContact O-CB 3.29Å; A100-E104 PolarHBondContact O-N 3.1Å
101	S	74.2	Confident	72.7	Confident	21 Å²	21	101.4 Å²	101.4	15%	0.147	53%	0.528	C	S	.	.	H	α-helix	trans	-66.3	-33	175.7	69.3	0	0	0	0	112.9	S96 T98 R99 N105	S96-S101 PolarHBondContact O-OG 3.3Å; T98-S101 PolarHBondContact O-N 3.43Å; T98-S101 PolarHBondContact O-OG 3.24Å; T98-S101 PolarHBondContact OG1-N 3.26Å; T98-S101 VanDerWaalsContact OG1-N 3.1Å; R99-S101 PolarHBondContact O-N 3.18Å; S101-N105 WeakPolarHBondContact O-CB 3.36Å; S101-N105 VanDerWaalsContact O-CG 3.23Å; S101-N105 PolarHBondContact O-N 2.8Å; S101-N105 PolarHBondContact O-ND2 3.1Å
102	H	81.7	Confident	74.4	Confident	116 Å²	116	104.4 Å²	104.4	54%	0.537	53%	0.528	S	S	.	.	H	α-helix	trans	-71.4	-44.7	177.2	-172.3	64.3	0	0	0	110.2	T98 R99 A100 N105 Q106	T98-H102 PolarHBondContact O-N 3.43Å; R99-H102 WeakPolarHBondContact O-CB 3.49Å; R99-H102 PolarHBondContact O-N 2.94Å; R99-H102 VanDerWaalsContact O-N 3.09Å; A100-H102 VanDerWaalsContact C-N 3.31Å; A100-H102 PolarHBondContact O-N 3Å; H102-N105 PolarHBondContact O-N 3.41Å; H102-Q106 PolarHBondContact CD2-NE2 2.95Å; H102-Q106 PolarHBondContact NE2-NE2 3.09Å; H102-Q106 VanDerWaalsContact O-CG 3.28Å; H102-Q106 WeakPolarHBondContact O-CG 3.34Å; H102-Q106 PolarHBondContact O-N 3.16Å
103	E	84.8	Confident	76	Confident	82 Å²	82	106.4 Å²	106.4	38%	0.383	53%	0.533	S	S	.	.	H	α-helix	trans	-58.4	-48.1	172.2	-73	168.7	174.9	0	0	110.7	R99 A100 N105 Q106 T107	R99-E103 HydrophobicContact CG-CG 4.33Å; R99-E103 WeakPolarHBondContact CG-OE1 3.3Å; R99-E103 IonicContact CZ-OE1 3.65Å; R99-E103 IonicContact NE-OE1 2.8Å; R99-E103 PolarHBondContact NE-OE1 3.47Å; R99-E103 IonicContact NH2-OE1 3.68Å; R99-E103 WeakPolarHBondContact O-CB 3.37Å; R99-E103 WeakPolarHBondContact O-CG 3.49Å; R99-E103 PolarHBondContact O-N 3.12Å; A100-E103 PolarHBondContact O-N 3.49Å; E103-N105 PolarHBondContact O-N 3.43Å; E103-Q106 CarbonylContact O-C 3.55Å; E103-Q106 WeakPolarHBondContact O-CB 3.37Å; E103-Q106 PolarHBondContact O-N 3.02Å; E103-Q106 VanDerWaalsContact O-N 3.1Å; E103-T107 VanDerWaalsContact O-CG2 3.3Å; E103-T107 WeakPolarHBondContact O-CG2 3.29Å; E103-T107 PolarHBondContact O-N 3.42Å
104	E	85.2	Confident	77.6	Confident	121 Å²	121	102.9 Å²	102.9	57%	0.565	53%	0.526	S	S	*	.	H	α-helix	trans	-56.4	-49	175	-174.1	-176.8	179.5	0	0	111.5	A100 Q106 T107 M108	A100-E104 VanDerWaalsContact O-CB 3.3Å; A100-E104 WeakPolarHBondContact O-CB 3.29Å; A100-E104 PolarHBondContact O-N 3.1Å; E104-Q106 VanDerWaalsContact C-N 3.3Å; E104-Q106 PolarHBondContact O-N 3.49Å; E104-T107 WeakPolarHBondContact CA-OG1 3.5Å; E104-T107 PolarHBondContact O-N 3.16Å; E104-T107 PolarHBondContact O-OG1 2.89Å; E104-M108 WeakPolarHBondContact O-CB 3.41Å; E104-M108 WeakPolarHBondContact O-CG 3.3Å; E104-M108 PolarHBondContact O-N 2.73Å
105	N	87.1	Confident	79.2	Confident	108 Å²	108	100.8 Å²	100.8	58%	0.578	52%	0.518	S	S	*	.	H	α-helix	trans	-61.2	-37.6	176.2	-75.4	-48.2	0	0	0	112.7	S101 H102 E103 A109	S101-N105 WeakPolarHBondContact O-CB 3.36Å; S101-N105 VanDerWaalsContact O-CG 3.23Å; S101-N105 PolarHBondContact O-N 2.8Å; S101-N105 PolarHBondContact O-ND2 3.1Å; H102-N105 PolarHBondContact O-N 3.41Å; E103-N105 PolarHBondContact O-N 3.43Å; N105-A109 VanDerWaalsContact O-CB 3.3Å; N105-A109 WeakPolarHBondContact O-CB 3.28Å; N105-A109 PolarHBondContact O-N 3.22Å
106	Q	86.6	Confident	80.7	Confident	101 Å²	101	93.9 Å²	93.9	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-67.1	-43.5	174.7	-72.6	179.4	11.6	0	0	111.9	H102 E103 E104 A109 T110	H102-Q106 PolarHBondContact CD2-NE2 2.95Å; H102-Q106 PolarHBondContact NE2-NE2 3.09Å; H102-Q106 VanDerWaalsContact O-CG 3.28Å; H102-Q106 WeakPolarHBondContact O-CG 3.34Å; H102-Q106 PolarHBondContact O-N 3.16Å; E103-Q106 CarbonylContact O-C 3.55Å; E103-Q106 WeakPolarHBondContact O-CB 3.37Å; E103-Q106 PolarHBondContact O-N 3.02Å; E103-Q106 VanDerWaalsContact O-N 3.1Å; E104-Q106 VanDerWaalsContact C-N 3.3Å; E104-Q106 PolarHBondContact O-N 3.49Å; Q106-A109 PolarHBondContact O-N 2.8Å; Q106-T110 WeakPolarHBondContact O-CB 3.32Å; Q106-T110 PolarHBondContact O-N 3.35Å; Q106-T110 PolarHBondContact O-OG1 3.43Å
107	T	90.4	Very high	82.2	Confident	70 Å²	70	95.3 Å²	95.3	43%	0.429	51%	0.506	S	S	.	.	H	α-helix	trans	-61.9	-46.1	176.4	64.5	0	0	0	0	110.5	E103 E104 A109 T110 I111	E103-T107 VanDerWaalsContact O-CG2 3.3Å; E103-T107 WeakPolarHBondContact O-CG2 3.29Å; E103-T107 PolarHBondContact O-N 3.42Å; E104-T107 WeakPolarHBondContact CA-OG1 3.5Å; E104-T107 PolarHBondContact O-N 3.16Å; E104-T107 PolarHBondContact O-OG1 2.89Å; T107-A109 PolarHBondContact O-N 2.82Å; T107-T110 CarbonylContact O-C 3.47Å; T107-T110 WeakPolarHBondContact O-CA 3.37Å; T107-T110 WeakPolarHBondContact O-CB 3.5Å; T107-T110 PolarHBondContact O-N 3.13Å; T107-T110 VanDerWaalsContact O-N 3.13Å; T107-I111 VanDerWaalsContact O-CG1 3.32Å; T107-I111 WeakPolarHBondContact O-CG1 3.44Å; T107-I111 PolarHBondContact O-N 3.46Å
108	M	91.2	Very high	83.5	Confident	84 Å²	84	95 Å²	95	41%	0.414	50%	0.496	S	S	.	.	H	α-helix	trans	-64.3	-39.9	177.2	-70.3	-58.6	125.4	0	0	112.6	E104 T110 I111 K112	E104-M108 WeakPolarHBondContact O-CB 3.41Å; E104-M108 WeakPolarHBondContact O-CG 3.3Å; E104-M108 PolarHBondContact O-N 2.73Å; M108-T110 VanDerWaalsContact C-N 3.28Å; M108-T110 PolarHBondContact O-N 3.41Å; M108-I111 HydrophobicContact CE-CD1 3.55Å; M108-I111 PolarHBondContact O-N 3.33Å; M108-I111 HydrophobicContact SD-CD1 4.15Å; M108-K112 WeakPolarHBondContact O-CB 3.49Å; M108-K112 VanDerWaalsContact O-CG 3.29Å; M108-K112 WeakPolarHBondContact O-CG 3.36Å; M108-K112 PolarHBondContact O-N 3.1Å
109	A	89.9	Confident	84.4	Confident	60 Å²	60	95.4 Å²	95.4	50%	0.496	51%	0.506	S	S	.	.	H	α-helix	trans	-62.2	-38.9	173.8	0	0	0	0	0	111.6	N105 Q106 T107 R113	N105-A109 VanDerWaalsContact O-CB 3.3Å; N105-A109 WeakPolarHBondContact O-CB 3.28Å; N105-A109 PolarHBondContact O-N 3.22Å; Q106-A109 PolarHBondContact O-N 2.8Å; T107-A109 PolarHBondContact O-N 2.82Å; A109-R113 WeakPolarHBondContact O-CB 3.38Å; A109-R113 PolarHBondContact O-N 2.9Å
110	T	90.7	Very high	84.7	Confident	83 Å²	83	89 Å²	89	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-65.3	-49	174.9	-55.6	0	0	0	0	111	Q106 T107 M108 K112 R113 V114	Q106-T110 WeakPolarHBondContact O-CB 3.32Å; Q106-T110 PolarHBondContact O-N 3.35Å; Q106-T110 PolarHBondContact O-OG1 3.43Å; T107-T110 CarbonylContact O-C 3.47Å; T107-T110 WeakPolarHBondContact O-CA 3.37Å; T107-T110 WeakPolarHBondContact O-CB 3.5Å; T107-T110 PolarHBondContact O-N 3.13Å; T107-T110 VanDerWaalsContact O-N 3.13Å; M108-T110 VanDerWaalsContact C-N 3.28Å; M108-T110 PolarHBondContact O-N 3.41Å; T110-K112 PolarHBondContact O-N 2.82Å; T110-R113 WeakPolarHBondContact O-CB 3.45Å; T110-R113 PolarHBondContact O-N 3.09Å; T110-R113 VanDerWaalsContact O-N 3.16Å; T110-V114 HydrophobicContact CG2-CG2 4.39Å; T110-V114 WeakPolarHBondContact O-CG2 3.33Å; T110-V114 PolarHBondContact O-N 3.31Å
111	I	88.2	Confident	84.9	Confident	87 Å²	87	95.3 Å²	95.3	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-58.8	-46.8	176.9	-68.4	163.7	0	0	0	110.9	T107 M108 R113 V114 T115	T107-I111 VanDerWaalsContact O-CG1 3.32Å; T107-I111 WeakPolarHBondContact O-CG1 3.44Å; T107-I111 PolarHBondContact O-N 3.46Å; M108-I111 HydrophobicContact CE-CD1 3.55Å; M108-I111 PolarHBondContact O-N 3.33Å; M108-I111 HydrophobicContact SD-CD1 4.15Å; I111-R113 VanDerWaalsContact C-N 3.32Å; I111-R113 PolarHBondContact O-N 2.99Å; I111-V114 PolarHBondContact O-N 3.01Å; I111-T115 WeakPolarHBondContact O-CB 3.33Å; I111-T115 PolarHBondContact O-N 3.41Å; I111-T115 PolarHBondContact O-OG1 2.85Å
112	K	91.3	Very high	84.8	Confident	158 Å²	158	98 Å²	98	69%	0.687	53%	0.533	S	S	*	.	H	α-helix	trans	-59.3	-42.9	176.3	-76.4	178.1	-177.9	179.9	0	111.6	M108 T110 A116	M108-K112 WeakPolarHBondContact O-CB 3.49Å; M108-K112 VanDerWaalsContact O-CG 3.29Å; M108-K112 WeakPolarHBondContact O-CG 3.36Å; M108-K112 PolarHBondContact O-N 3.1Å; T110-K112 PolarHBondContact O-N 2.82Å; K112-A116 WeakPolarHBondContact O-CB 3.36Å; K112-A116 PolarHBondContact O-N 3.13Å
113	R	86	Confident	84.3	Confident	170 Å²	170	97 Å²	97	64%	0.642	53%	0.528	S	S	*	.	H	α-helix	trans	-64.3	-46.8	177.1	-175.5	-177	179	127.7	-7.2	111.7	A109 T110 I111 A116 L117	A109-R113 WeakPolarHBondContact O-CB 3.38Å; A109-R113 PolarHBondContact O-N 2.9Å; T110-R113 WeakPolarHBondContact O-CB 3.45Å; T110-R113 PolarHBondContact O-N 3.09Å; T110-R113 VanDerWaalsContact O-N 3.16Å; I111-R113 VanDerWaalsContact C-N 3.32Å; I111-R113 PolarHBondContact O-N 2.99Å; R113-A116 PolarHBondContact O-N 2.85Å; R113-L117 HydrophobicContact CG-CD1 4.37Å; R113-L117 WeakPolarHBondContact O-CG 3.45Å; R113-L117 PolarHBondContact O-N 2.85Å
114	V	85.9	Confident	84	Confident	69 Å²	69	98 Å²	98	42%	0.418	54%	0.536	S	S	.	.	H	α-helix	trans	-62.5	-45.4	178.7	170.7	0	0	0	0	110.4	T110 I111 A116 L117 N118	T110-V114 HydrophobicContact CG2-CG2 4.39Å; T110-V114 WeakPolarHBondContact O-CG2 3.33Å; T110-V114 PolarHBondContact O-N 3.31Å; I111-V114 PolarHBondContact O-N 3.01Å; V114-A116 VanDerWaalsContact C-N 3.33Å; V114-A116 PolarHBondContact O-N 3.3Å; V114-L117 PolarHBondContact O-N 3.36Å; V114-L117 VanDerWaalsContact O-N 3.13Å; V114-N118 WeakPolarHBondContact O-CB 3.46Å; V114-N118 VanDerWaalsContact O-CG 3.3Å; V114-N118 PolarHBondContact O-N 3.48Å
115	T	86.1	Confident	83.3	Confident	87 Å²	87	95.6 Å²	95.6	53%	0.534	52%	0.523	S	S	.	.	H	α-helix	trans	-59.4	-44.6	176.7	-52.7	0	0	0	0	111.3	I111 L117 N118 A119	I111-T115 WeakPolarHBondContact O-CB 3.33Å; I111-T115 PolarHBondContact O-N 3.41Å; I111-T115 PolarHBondContact O-OG1 2.85Å; T115-L117 PolarHBondContact O-N 2.98Å; T115-N118 PolarHBondContact O-N 3.34Å; T115-A119 PolarHBondContact O-N 2.73Å
116	A	83.2	Confident	82.6	Confident	55 Å²	55	95.6 Å²	95.6	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-64	-37.7	175.5	0	0	0	0	0	112.9	K112 R113 V114 L120	K112-A116 WeakPolarHBondContact O-CB 3.36Å; K112-A116 PolarHBondContact O-N 3.13Å; R113-A116 PolarHBondContact O-N 2.85Å; V114-A116 VanDerWaalsContact C-N 3.33Å; V114-A116 PolarHBondContact O-N 3.3Å; A116-L120 VanDerWaalsContact O-CG 3.31Å; A116-L120 WeakPolarHBondContact O-CG 3.33Å; A116-L120 PolarHBondContact O-N 3.44Å
117	L	82.8	Confident	82.2	Confident	97 Å²	97	94.8 Å²	94.8	51%	0.508	53%	0.526	S	S	.	.	H	α-helix	trans	-68.5	-40.7	175.3	-72.3	175.5	0	0	0	112.1	R113 V114 T115 A119 L120 K121	R113-L117 HydrophobicContact CG-CD1 4.37Å; R113-L117 WeakPolarHBondContact O-CG 3.45Å; R113-L117 PolarHBondContact O-N 2.85Å; V114-L117 PolarHBondContact O-N 3.36Å; V114-L117 VanDerWaalsContact O-N 3.13Å; T115-L117 PolarHBondContact O-N 2.98Å; L117-A119 VanDerWaalsContact C-N 3.34Å; L117-A119 PolarHBondContact O-N 2.98Å; L117-L120 WeakPolarHBondContact O-CA 3.47Å; L117-L120 WeakPolarHBondContact O-CB 3.3Å; L117-L120 PolarHBondContact O-N 2.86Å; L117-K121 PolarHBondContact O-N 3.39Å
118	N	83.6	Confident	81.7	Confident	103 Å²	103	94.9 Å²	94.9	55%	0.551	53%	0.53	S	S	*	.	H	α-helix	trans	-63	-42.1	177	-71.7	-17.9	0	0	0	111.1	V114 T115 L120 K121	V114-N118 WeakPolarHBondContact O-CB 3.46Å; V114-N118 VanDerWaalsContact O-CG 3.3Å; V114-N118 PolarHBondContact O-N 3.48Å; T115-N118 PolarHBondContact O-N 3.34Å; N118-L120 PolarHBondContact O-N 3.41Å; N118-L120 VanDerWaalsContact O-N 3.13Å; N118-K121 PolarHBondContact O-N 3.16Å; N118-K121 VanDerWaalsContact O-N 3.14Å
119	A	79.9	Confident	81.2	Confident	78 Å²	78	95.2 Å²	95.2	65%	0.645	54%	0.54	S	S	*	.	H	α-helix	trans	-60.8	-20.9	173.2	0	0	0	0	0	113.6	T115 L117	T115-A119 PolarHBondContact O-N 2.73Å; L117-A119 VanDerWaalsContact C-N 3.34Å; L117-A119 PolarHBondContact O-N 2.98Å
120	L	75.9	Confident	80.7	Confident	62 Å²	62	93.5 Å²	93.5	33%	0.325	52%	0.524	S	S	.	.	H	α-helix	trans	-92.5	-22.6	177.2	-70.9	177.1	0	0	0	113.7	A116 L117 N118 G122 K123 F125	A116-L120 VanDerWaalsContact O-CG 3.31Å; A116-L120 WeakPolarHBondContact O-CG 3.33Å; A116-L120 PolarHBondContact O-N 3.44Å; L117-L120 WeakPolarHBondContact O-CA 3.47Å; L117-L120 WeakPolarHBondContact O-CB 3.3Å; L117-L120 PolarHBondContact O-N 2.86Å; N118-L120 PolarHBondContact O-N 3.41Å; N118-L120 VanDerWaalsContact O-N 3.13Å; L120-G122 VanDerWaalsContact C-N 3.26Å; L120-G122 PolarHBondContact O-N 3.46Å; L120-K123 PolarHBondContact O-N 2.93Å; L120-K123 VanDerWaalsContact O-N 3.1Å; L120-F125 HydrophobicContact CB-CZ 4Å; L120-F125 HydrophobicContact CD2-CE1 4.31Å; L120-F125 HydrophobicContact CD2-CZ 3.97Å; L120-F125 HydrophobicContact CG-CZ 4.43Å; L120-F125 WeakPolarHBondContact O-CE2 3.31Å
121	K	78.5	Confident	80.1	Confident	190 Å²	190	95 Å²	95	83%	0.826	52%	0.52	S	S	*	.	H	α-helix	trans	-63.3	-28.2	-173.6	-166.6	175.8	179.9	-177.8	0	113.3	L117 N118	L117-K121 PolarHBondContact O-N 3.39Å; N118-K121 PolarHBondContact O-N 3.16Å; N118-K121 VanDerWaalsContact O-N 3.14Å
122	G	72.3	Confident	79.8	Confident	76 Å²	76	97.8 Å²	97.8	78%	0.784	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	5.6	176.6	0	0	0	0	0	115.1	L120	L120-G122 VanDerWaalsContact C-N 3.26Å; L120-G122 PolarHBondContact O-N 3.46Å
123	K	71.5	Confident	79.4	Confident	97 Å²	97	94.3 Å²	94.3	42%	0.422	53%	0.525	S	S	.	.	S	Bend	trans	-93.4	121.7	-174.1	-150.9	171.1	-170.1	166.2	0	110.7	L120 F125 V130	L120-K123 PolarHBondContact O-N 2.93Å; L120-K123 VanDerWaalsContact O-N 3.1Å; K123-F125 HydrophobicContact CB-CE2 4.5Å; K123-F125 HydrophobicContact CB-CZ 4.33Å; K123-F125 WeakPolarHBondContact O-CD2 3.34Å; K123-F125 WeakPolarHBondContact O-CE2 3.41Å; K123-F125 PolarHBondContact O-N 3.36Å; K123-V130 HydrophobicContact CD-CG1 3.75Å; K123-V130 HydrophobicContact CG-CG1 3.87Å
124	D	76.8	Confident	79.2	Confident	103 Å²	103	87.7 Å²	87.7	55%	0.551	50%	0.502	S	S	*	.			trans	-66.4	93.4	177	-70.9	-29.4	0	0	0	111.6	T126 N127	D124-T126 PolarHBondContact O-N 2.94Å; D124-N127 WeakPolarHBondContact O-CB 3.1Å; D124-N127 PolarHBondContact O-N 3.13Å
125	F	71.9	Confident	79.3	Confident	69 Å²	69	88.5 Å²	88.5	30%	0.303	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	2.1	175.5	-63.9	-72.6	0	0	0	113.2	L120 K123 V130 R131 L134	L120-F125 HydrophobicContact CB-CZ 4Å; L120-F125 HydrophobicContact CD2-CE1 4.31Å; L120-F125 HydrophobicContact CD2-CZ 3.97Å; L120-F125 HydrophobicContact CG-CZ 4.43Å; L120-F125 WeakPolarHBondContact O-CE2 3.31Å; K123-F125 HydrophobicContact CB-CE2 4.5Å; K123-F125 HydrophobicContact CB-CZ 4.33Å; K123-F125 WeakPolarHBondContact O-CD2 3.34Å; K123-F125 WeakPolarHBondContact O-CE2 3.41Å; K123-F125 PolarHBondContact O-N 3.36Å; F125-V130 HydrophobicContact CD1-CG1 4.31Å; F125-R131 VanDerWaalsContact O-CZ 3.24Å; F125-R131 PolarHBondContact O-NE 2.82Å; F125-R131 PolarHBondContact O-NH2 3.14Å; F125-L134 HydrophobicContact CD1-CD1 4.33Å; F125-L134 HydrophobicContact CE1-CD1 4.27Å
126	T	71.8	Confident	79.3	Confident	108 Å²	108	90.5 Å²	90.5	66%	0.663	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-34.7	168.1	50.5	0	0	0	0	110.5	D124 S128	D124-T126 PolarHBondContact O-N 2.94Å; T126-S128 PolarHBondContact O-N 3.02Å
127	N	79.5	Confident	79.4	Confident	84 Å²	84	91.4 Å²	91.4	45%	0.449	52%	0.52	S	S	.	.	S	Bend	trans	-64.4	124.9	-179	-71.3	-27.3	0	0	0	112.4	D124 S129 V130 R131	D124-N127 WeakPolarHBondContact O-CB 3.1Å; D124-N127 PolarHBondContact O-N 3.13Å; N127-S129 VanDerWaalsContact C-N 3.35Å; N127-S129 PolarHBondContact O-N 3.37Å; N127-V130 HydrophobicContact CB-CB 4.34Å; N127-V130 HydrophobicContact CB-CG2 4.05Å; N127-V130 PolarHBondContact O-N 2.93Å; N127-R131 PolarHBondContact O-N 2.84Å
128	S	78.8	Confident	79.5	Confident	73 Å²	73	90.2 Å²	90.2	51%	0.51	52%	0.516	S	S	.	.	H	α-helix	trans	-63.9	-37.4	-176.4	67.1	0	0	0	0	112.5	T126 R131 K132	T126-S128 PolarHBondContact O-N 3.02Å; S128-R131 PolarHBondContact O-N 3.1Å; S128-K132 WeakPolarHBondContact O-CG 3.33Å; S128-K132 PolarHBondContact O-N 3.23Å
129	S	81.9	Confident	79.6	Confident	90 Å²	90	91.1 Å²	91.1	63%	0.629	51%	0.512	S	S	*	.	H	α-helix	trans	-61	-44.7	176	-62	0	0	0	0	112.2	N127 R131 K132 S133	N127-S129 VanDerWaalsContact C-N 3.35Å; N127-S129 PolarHBondContact O-N 3.37Å; S129-R131 VanDerWaalsContact C-N 3.33Å; S129-R131 PolarHBondContact O-N 3.42Å; S129-K132 PolarHBondContact O-N 3.49Å; S129-S133 PolarHBondContact O-N 3.18Å; S129-S133 VanDerWaalsContact O-N 3.1Å
130	V	79.3	Confident	80.1	Confident	25 Å²	25	94.8 Å²	94.8	15%	0.152	51%	0.509	C	S	.	.	H	α-helix	trans	-63.5	-39	176.6	173.9	0	0	0	0	111.3	K123 F125 N127 K132 S133	K123-V130 HydrophobicContact CD-CG1 3.75Å; K123-V130 HydrophobicContact CG-CG1 3.87Å; F125-V130 HydrophobicContact CD1-CG1 4.31Å; N127-V130 HydrophobicContact CB-CB 4.34Å; N127-V130 HydrophobicContact CB-CG2 4.05Å; N127-V130 PolarHBondContact O-N 2.93Å; V130-K132 VanDerWaalsContact C-N 3.35Å; V130-S133 PolarHBondContact O-N 2.94Å; V130-S133 PolarHBondContact O-OG 2.67Å
131	R	76.6	Confident	80.7	Confident	113 Å²	113	100.9 Å²	100.9	43%	0.426	53%	0.528	S	S	.	.	H	α-helix	trans	-65	-39.5	176.5	-69.3	-178.9	-177.4	179.7	4.9	112.3	F125 N127 S128 S129 R139	F125-R131 VanDerWaalsContact O-CZ 3.24Å; F125-R131 PolarHBondContact O-NE 2.82Å; F125-R131 PolarHBondContact O-NH2 3.14Å; N127-R131 PolarHBondContact O-N 2.84Å; S128-R131 PolarHBondContact O-N 3.1Å; S129-R131 VanDerWaalsContact C-N 3.33Å; S129-R131 PolarHBondContact O-N 3.42Å; R131-R139 VanDerWaalsContact O-CD 3.29Å; R131-R139 WeakPolarHBondContact O-CD 3.34Å
132	K	82.4	Confident	81.1	Confident	147 Å²	147	95.1 Å²	95.1	64%	0.639	50%	0.503	S	S	*	.	H	α-helix	trans	-69.3	-33.9	-179	-72.6	174.5	-176.7	179.9	0	112	S128 S129 V130 L134 R139	S128-K132 WeakPolarHBondContact O-CG 3.33Å; S128-K132 PolarHBondContact O-N 3.23Å; S129-K132 PolarHBondContact O-N 3.49Å; V130-K132 VanDerWaalsContact C-N 3.35Å; K132-L134 VanDerWaalsContact C-N 3.3Å; K132-L134 PolarHBondContact O-N 3.45Å; K132-R139 PolarHBondContact O-NH1 3.26Å
133	S	83	Confident	82	Confident	85 Å²	85	96 Å²	96	59%	0.594	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.8	180	73.9	0	0	0	0	114.7	S129 V130	S129-S133 PolarHBondContact O-N 3.18Å; S129-S133 VanDerWaalsContact O-N 3.1Å; V130-S133 PolarHBondContact O-N 2.94Å; V130-S133 PolarHBondContact O-OG 2.67Å
134	L	81.8	Confident	83.1	Confident	30 Å²	30	95.8 Å²	95.8	16%	0.157	49%	0.489	C	S	.	.	S	Bend	trans	-71	143.8	177.6	-74.6	163.1	0	0	0	111	F125 K132 Q136 V138 R139	F125-L134 HydrophobicContact CD1-CD1 4.33Å; F125-L134 HydrophobicContact CE1-CD1 4.27Å; K132-L134 VanDerWaalsContact C-N 3.3Å; K132-L134 PolarHBondContact O-N 3.45Å; L134-Q136 PolarHBondContact O-N 3.39Å; L134-V138 HydrophobicContact CD2-CG1 4.3Å; L134-R139 HydrophobicContact CB-CG 3.89Å; L134-R139 WeakPolarHBondContact O-CD 3.39Å
135	P	87.3	Confident	83.9	Confident	86 Å²	86	95.8 Å²	95.8	56%	0.558	49%	0.485	S	S	*	.			trans	-53.4	142.1	172.9	-24.9	33	0	0	0	111.8	A137 V138 R139	P135-A137 PolarHBondContact O-N 2.9Å; P135-A137 VanDerWaalsContact O-N 3.12Å; P135-V138 HydrophobicContact CB-CG2 4.3Å; P135-V138 HydrophobicContact CG-CG2 4.44Å; P135-V138 WeakPolarHBondContact O-CB 3.5Å; P135-V138 PolarHBondContact O-N 3.02Å; P135-R139 PolarHBondContact O-N 3.35Å; P135-R139 VanDerWaalsContact O-N 3.16Å
136	Q	86.3	Confident	84.8	Confident	129 Å²	129	97.3 Å²	97.3	60%	0.603	49%	0.493	S	S	*	.	H	α-helix	trans	-54.3	-37.4	-175.1	-167.9	-178.3	21.6	0	0	112.8	L134 V138 R139 R140	L134-Q136 PolarHBondContact O-N 3.39Å; Q136-V138 VanDerWaalsContact C-N 3.35Å; Q136-V138 PolarHBondContact O-N 3.29Å; Q136-R139 PolarHBondContact O-N 3.01Å; Q136-R140 WeakPolarHBondContact O-CG 3.42Å; Q136-R140 PolarHBondContact O-N 3.07Å
137	A	85.6	Confident	85.9	Confident	75 Å²	75	98.5 Å²	98.5	62%	0.62	49%	0.489	S	S	*	.	H	α-helix	trans	-60.3	-41.2	176.6	0	0	0	0	0	112.8	P135 R141	P135-A137 PolarHBondContact O-N 2.9Å; P135-A137 VanDerWaalsContact O-N 3.12Å; A137-R141 WeakPolarHBondContact O-CB 3.46Å; A137-R141 PolarHBondContact O-N 3.49Å
138	V	84.8	Confident	86.6	Confident	71 Å²	71	102.9 Å²	102.9	43%	0.43	50%	0.499	S	S	.	.	H	α-helix	trans	-68.2	-41.9	177.7	-177	0	0	0	0	110.4	L134 P135 Q136 R141 K142	L134-V138 HydrophobicContact CD2-CG1 4.3Å; P135-V138 HydrophobicContact CB-CG2 4.3Å; P135-V138 HydrophobicContact CG-CG2 4.44Å; P135-V138 WeakPolarHBondContact O-CB 3.5Å; P135-V138 PolarHBondContact O-N 3.02Å; Q136-V138 VanDerWaalsContact C-N 3.35Å; Q136-V138 PolarHBondContact O-N 3.29Å; V138-R141 PolarHBondContact O-N 3.01Å; V138-K142 PolarHBondContact O-N 3.34Å
139	R	85.7	Confident	87.3	Confident	123 Å²	123	101.3 Å²	101.3	46%	0.464	49%	0.485	S	S	.	.	H	α-helix	trans	-61.1	-47.1	176.1	-67.9	174.6	61.2	178.3	-4.9	111.8	R131 K132 L134 P135 Q136 R141 K142 H143	R131-R139 VanDerWaalsContact O-CD 3.29Å; R131-R139 WeakPolarHBondContact O-CD 3.34Å; K132-R139 PolarHBondContact O-NH1 3.26Å; L134-R139 HydrophobicContact CB-CG 3.89Å; L134-R139 WeakPolarHBondContact O-CD 3.39Å; P135-R139 PolarHBondContact O-N 3.35Å; P135-R139 VanDerWaalsContact O-N 3.16Å; Q136-R139 PolarHBondContact O-N 3.01Å; R139-R141 PolarHBondContact O-N 2.8Å; R139-K142 PolarHBondContact O-N 2.84Å; R139-H143 PolarHBondContact O-N 3.07Å
140	R	90.1	Very high	87.9	Confident	154 Å²	154	100.1 Å²	100.1	58%	0.581	48%	0.48	S	S	*	.	H	α-helix	trans	-59.7	-45	176.1	-75	-178.3	179.2	-179.2	1.5	111.6	Q136 K142 H143 N144	Q136-R140 WeakPolarHBondContact O-CG 3.42Å; Q136-R140 PolarHBondContact O-N 3.07Å; R140-K142 PolarHBondContact O-N 3.46Å; R140-H143 PolarHBondContact O-N 2.95Å; R140-N144 WeakPolarHBondContact O-CB 3.3Å; R140-N144 VanDerWaalsContact O-CG 3.3Å; R140-N144 PolarHBondContact O-N 2.99Å
141	R	88.7	Confident	88.6	Confident	190 Å²	190	101.7 Å²	101.7	72%	0.717	50%	0.496	S	S	*	.	H	α-helix	trans	-60.1	-45	178.2	-166.7	-179.7	-164.1	179	6.1	112	A137 V138 R139 N144 F145	A137-R141 WeakPolarHBondContact O-CB 3.46Å; A137-R141 PolarHBondContact O-N 3.49Å; V138-R141 PolarHBondContact O-N 3.01Å; R139-R141 PolarHBondContact O-N 2.8Å; R141-N144 PolarHBondContact O-N 3.31Å; R141-F145 WeakPolarHBondContact O-CB 3.45Å; R141-F145 PolarHBondContact O-N 3.33Å
142	K	87.8	Confident	89.4	Confident	70 Å²	70	98.8 Å²	98.8	30%	0.304	49%	0.488	S	S	.	.	H	α-helix	trans	-61.6	-46.9	177.1	-176.1	175.7	-179.6	173	0	111.8	V138 R139 R140 F145 Q146	V138-K142 PolarHBondContact O-N 3.34Å; R139-K142 PolarHBondContact O-N 2.84Å; R140-K142 PolarHBondContact O-N 3.46Å; K142-F145 PolarHBondContact O-N 2.96Å; K142-Q146 WeakPolarHBondContact O-CG 3.44Å; K142-Q146 PolarHBondContact O-N 3.48Å
143	H	90.5	Very high	89.9	Confident	94 Å²	94	97.2 Å²	97.2	44%	0.435	48%	0.481	S	S	.	.	H	α-helix	trans	-59.6	-48.1	177.5	-178.5	66.4	0	0	0	112.3	R139 R140 F145 Q146 K147	R139-H143 PolarHBondContact O-N 3.07Å; R140-H143 PolarHBondContact O-N 2.95Å; H143-F145 VanDerWaalsContact C-N 3.31Å; H143-F145 PolarHBondContact O-N 3.27Å; H143-Q146 PolarHBondContact O-N 3.41Å; H143-K147 VanDerWaalsContact NE2-CE 3.3Å; H143-K147 WeakPolarHBondContact NE2-CE 3.35Å; H143-K147 PolarHBondContact O-N 2.94Å
144	N	94.9	Very high	90.3	Very high	92 Å²	92	102.1 Å²	102.1	49%	0.492	49%	0.492	S	S	.	.	H	α-helix	trans	-63.9	-37.6	178.7	-70.6	-14.1	0	0	0	112	R140 R141 K147 R148	R140-N144 WeakPolarHBondContact O-CB 3.3Å; R140-N144 VanDerWaalsContact O-CG 3.3Å; R140-N144 PolarHBondContact O-N 2.99Å; R141-N144 PolarHBondContact O-N 3.31Å; N144-K147 PolarHBondContact O-N 2.98Å; N144-R148 WeakPolarHBondContact O-CG 3.49Å; N144-R148 PolarHBondContact O-N 3.49Å
145	F	93.3	Very high	90.8	Very high	103 Å²	103	106.5 Å²	106.5	45%	0.452	52%	0.52	S	S	.	.	H	α-helix	trans	-63.6	-45.3	174.9	-179.2	-109.9	0	0	0	111.9	R141 K142 H143 R148 L149 F161	R141-F145 WeakPolarHBondContact O-CB 3.45Å; R141-F145 PolarHBondContact O-N 3.33Å; K142-F145 PolarHBondContact O-N 2.96Å; H143-F145 VanDerWaalsContact C-N 3.31Å; H143-F145 PolarHBondContact O-N 3.27Å; F145-R148 PolarHBondContact O-N 2.91Å; F145-L149 HydrophobicContact CD1-CD1 3.95Å; F145-L149 HydrophobicContact CD1-CG 4.48Å; F145-L149 HydrophobicContact CE1-CD1 3.4Å; F145-L149 VanDerWaalsContact CE1-CD1 3.4Å; F145-L149 HydrophobicContact CE1-CG 4.13Å; F145-L149 HydrophobicContact CE2-CD1 4.44Å; F145-L149 HydrophobicContact CE2-CG 4.35Å; F145-L149 HydrophobicContact CZ-CD1 3.69Å; F145-L149 HydrophobicContact CZ-CD2 4.31Å; F145-L149 HydrophobicContact CZ-CG 4.07Å; F145-L149 WeakPolarHBondContact O-CG 3.35Å; F145-L149 PolarHBondContact O-N 3.26Å; F145-F161 HydrophobicContact CE2-CZ 4Å; F145-F161 HydrophobicContact CZ-CE2 4.03Å; F145-F161 AromaticContact CZ-CZ 3.78Å; F145-F161 HydrophobicContact CZ-CZ 3.78Å
146	Q	91.6	Very high	91	Very high	101 Å²	101	106.1 Å²	106.1	47%	0.472	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-43.4	176.4	-73	179.3	-14.4	0	0	112.3	K142 H143 R148 L149 A150	K142-Q146 WeakPolarHBondContact O-CG 3.44Å; K142-Q146 PolarHBondContact O-N 3.48Å; H143-Q146 PolarHBondContact O-N 3.41Å; Q146-R148 VanDerWaalsContact C-N 3.33Å; Q146-R148 PolarHBondContact O-N 2.93Å; Q146-L149 PolarHBondContact O-N 3.04Å; Q146-A150 PolarHBondContact O-N 3.44Å
147	K	94.8	Very high	91.2	Very high	133 Å²	133	107 Å²	107	58%	0.578	52%	0.522	S	S	*	.	H	α-helix	trans	-57.9	-44.2	173.3	-81.6	-170.6	166.1	-172.2	0	112.2	H143 N144 A150 A151	H143-K147 VanDerWaalsContact NE2-CE 3.3Å; H143-K147 WeakPolarHBondContact NE2-CE 3.35Å; H143-K147 PolarHBondContact O-N 2.94Å; N144-K147 PolarHBondContact O-N 2.98Å; K147-A150 PolarHBondContact O-N 2.9Å; K147-A151 PolarHBondContact O-N 3.01Å
148	R	94.2	Very high	91.5	Very high	177 Å²	177	110.5 Å²	110.5	67%	0.668	53%	0.53	S	S	*	.	H	α-helix	trans	-63	-45	176.4	-76.2	176.4	69.5	122.8	-0	111.8	N144 F145 Q146 A150 A151 I152	N144-R148 WeakPolarHBondContact O-CG 3.49Å; N144-R148 PolarHBondContact O-N 3.49Å; F145-R148 PolarHBondContact O-N 2.91Å; Q146-R148 VanDerWaalsContact C-N 3.33Å; Q146-R148 PolarHBondContact O-N 2.93Å; R148-A150 VanDerWaalsContact C-N 3.34Å; R148-A150 PolarHBondContact O-N 3.4Å; R148-A151 PolarHBondContact O-N 2.92Å; R148-I152 VanDerWaalsContact O-CG1 3.26Å; R148-I152 WeakPolarHBondContact O-CG1 3.44Å; R148-I152 PolarHBondContact O-N 3.27Å
149	L	93	Very high	91.8	Very high	40 Å²	40	109.7 Å²	109.7	21%	0.209	52%	0.521	C	S	.	.	H	α-helix	trans	-61	-41.9	176.7	-75.6	-178.4	0	0	0	112.3	F145 Q146 I152 K153 F159 F161	F145-L149 HydrophobicContact CD1-CD1 3.95Å; F145-L149 HydrophobicContact CD1-CG 4.48Å; F145-L149 HydrophobicContact CE1-CD1 3.4Å; F145-L149 VanDerWaalsContact CE1-CD1 3.4Å; F145-L149 HydrophobicContact CE1-CG 4.13Å; F145-L149 HydrophobicContact CE2-CD1 4.44Å; F145-L149 HydrophobicContact CE2-CG 4.35Å; F145-L149 HydrophobicContact CZ-CD1 3.69Å; F145-L149 HydrophobicContact CZ-CD2 4.31Å; F145-L149 HydrophobicContact CZ-CG 4.07Å; F145-L149 WeakPolarHBondContact O-CG 3.35Å; F145-L149 PolarHBondContact O-N 3.26Å; Q146-L149 PolarHBondContact O-N 3.04Å; L149-I152 PolarHBondContact O-N 3.46Å; L149-K153 WeakPolarHBondContact O-CB 3.47Å; L149-K153 WeakPolarHBondContact O-CG 3.46Å; L149-K153 PolarHBondContact O-N 3.39Å; L149-F159 HydrophobicContact CD2-CE1 3.96Å; L149-F161 HydrophobicContact CD2-CE2 3.87Å; L149-F161 HydrophobicContact CD2-CZ 3.74Å
150	A	93.3	Very high	91.9	Very high	64 Å²	64	114.1 Å²	114.1	53%	0.529	54%	0.537	S	S	.	.	H	α-helix	trans	-63	-42.5	176.4	0	0	0	0	0	111.8	Q146 K147 R148 K154	Q146-A150 PolarHBondContact O-N 3.44Å; K147-A150 PolarHBondContact O-N 2.9Å; R148-A150 VanDerWaalsContact C-N 3.34Å; R148-A150 PolarHBondContact O-N 3.4Å; A150-K154 WeakPolarHBondContact O-CB 3.44Å; A150-K154 PolarHBondContact O-N 3.28Å
151	A	95.3	Very high	91.8	Very high	58 Å²	58	113 Å²	113	48%	0.479	54%	0.537	S	S	.	.	H	α-helix	trans	-63.7	-43.4	176	0	0	0	0	0	112.4	K147 R148 K154 T155	K147-A151 PolarHBondContact O-N 3.01Å; R148-A151 PolarHBondContact O-N 2.92Å; A151-K154 WeakPolarHBondContact O-CB 3.24Å; A151-K154 PolarHBondContact O-N 3.07Å; A151-T155 PolarHBondContact O-N 3.32Å
152	I	93.7	Very high	91.6	Very high	52 Å²	52	112.8 Å²	112.8	27%	0.267	54%	0.544	S	S	.	.	H	α-helix	trans	-66.5	-43.2	178.2	-66.4	164.9	0	0	0	111	R148 L149 K154 T155 N156 F159	R148-I152 VanDerWaalsContact O-CG1 3.26Å; R148-I152 WeakPolarHBondContact O-CG1 3.44Å; R148-I152 PolarHBondContact O-N 3.27Å; L149-I152 PolarHBondContact O-N 3.46Å; I152-K154 VanDerWaalsContact C-N 3.25Å; I152-K154 PolarHBondContact O-N 3.34Å; I152-T155 PolarHBondContact O-N 3.36Å; I152-T155 PolarHBondContact O-OG1 3.33Å; I152-N156 PolarHBondContact O-N 3.27Å; I152-F159 HydrophobicContact CD1-CZ 4.42Å; I152-F159 HydrophobicContact CG2-CB 3.75Å; I152-F159 HydrophobicContact CG2-CD1 3.59Å; I152-F159 HydrophobicContact CG2-CD2 3.44Å; I152-F159 VanDerWaalsContact CG2-CD2 3.44Å; I152-F159 HydrophobicContact CG2-CE1 4.02Å; I152-F159 HydrophobicContact CG2-CE2 3.87Å; I152-F159 HydrophobicContact CG2-CG 3.28Å; I152-F159 HydrophobicContact CG2-CZ 4.15Å
153	K	91.3	Very high	91.3	Very high	115 Å²	115	118 Å²	118	50%	0.5	57%	0.569	S	S	.	*	H	α-helix	trans	-65.3	-29.5	176.9	-76.7	-171.9	175	-168.7	0	112.9	L149 T155 N156 L157	L149-K153 WeakPolarHBondContact O-CB 3.47Å; L149-K153 WeakPolarHBondContact O-CG 3.46Å; L149-K153 PolarHBondContact O-N 3.39Å; K153-T155 VanDerWaalsContact C-N 3.32Å; K153-N156 CarbonylContact O-C 3.59Å; K153-L157 WeakPolarHBondContact O-CD2 3.26Å; K153-L157 PolarHBondContact O-N 2.93Å
154	K	91.7	Very high	90.3	Very high	187 Å²	187	117.5 Å²	117.5	81%	0.813	58%	0.581	S	S	*	*	H	α-helix	trans	-64.9	-36.3	174.3	-173	179.1	179.4	-178.5	0	111.9	A150 A151 I152	A150-K154 WeakPolarHBondContact O-CB 3.44Å; A150-K154 PolarHBondContact O-N 3.28Å; A151-K154 WeakPolarHBondContact O-CB 3.24Å; A151-K154 PolarHBondContact O-N 3.07Å; I152-K154 VanDerWaalsContact C-N 3.25Å; I152-K154 PolarHBondContact O-N 3.34Å
155	T	93.5	Very high	89	Confident	123 Å²	123	120.1 Å²	120.1	76%	0.755	60%	0.595	S	S	*	*	H	α-helix	trans	-88.9	-34.2	179.4	58.4	0	0	0	0	112.9	A151 I152 K153	A151-T155 PolarHBondContact O-N 3.32Å; I152-T155 PolarHBondContact O-N 3.36Å; I152-T155 PolarHBondContact O-OG1 3.33Å; K153-T155 VanDerWaalsContact C-N 3.32Å
156	N	91.2	Very high	87.3	Confident	77 Å²	77	122.7 Å²	122.7	41%	0.412	61%	0.612	S	S	.	*			trans	-135.9	96	178.6	-177.3	-6.3	0	0	0	109.8	I152 K153 N158 F159	I152-N156 PolarHBondContact O-N 3.27Å; K153-N156 CarbonylContact O-C 3.59Å; N156-N158 PolarHBondContact O-N 3.38Å; N156-N158 PolarHBondContact OD1-N 3Å; N156-N158 VanDerWaalsContact OD1-N 3.11Å; N156-F159 HydrophobicContact CB-CB 4.33Å; N156-F159 VanDerWaalsContact O-CB 3.24Å; N156-F159 WeakPolarHBondContact O-CB 3.45Å; N156-F159 PolarHBondContact O-N 3.18Å; N156-F159 PolarHBondContact OD1-N 3.35Å
157	L	91	Very high	85.6	Confident	149 Å²	149	126.5 Å²	126.5	78%	0.78	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-28.9	179.9	-70.9	167.5	0	0	0	112.8	K153 F159	K153-L157 WeakPolarHBondContact O-CD2 3.26Å; K153-L157 PolarHBondContact O-N 2.93Å; L157-F159 VanDerWaalsContact C-N 3.28Å; L157-F159 PolarHBondContact O-N 2.82Å
158	N	91.1	Very high	85.1	Confident	147 Å²	147	126.2 Å²	126.2	79%	0.786	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	4.2	-179.5	-65.2	-24.4	0	0	0	113.1	N156 R160	N156-N158 PolarHBondContact O-N 3.38Å; N156-N158 PolarHBondContact OD1-N 3Å; N156-N158 VanDerWaalsContact OD1-N 3.11Å; N158-R160 PolarHBondContact O-N 3.15Å; N158-R160 VanDerWaalsContact O-N 3.15Å
159	F	90.2	Very high	84.7	Confident	55 Å²	55	123.5 Å²	123.5	24%	0.241	65%	0.653	C	S	.	*			trans	-59.7	120.1	179	178.8	-95.5	0	0	0	111.7	L149 I152 N156 L157 F161	L149-F159 HydrophobicContact CD2-CE1 3.96Å; I152-F159 HydrophobicContact CD1-CZ 4.42Å; I152-F159 HydrophobicContact CG2-CB 3.75Å; I152-F159 HydrophobicContact CG2-CD1 3.59Å; I152-F159 HydrophobicContact CG2-CD2 3.44Å; I152-F159 VanDerWaalsContact CG2-CD2 3.44Å; I152-F159 HydrophobicContact CG2-CE1 4.02Å; I152-F159 HydrophobicContact CG2-CE2 3.87Å; I152-F159 HydrophobicContact CG2-CG 3.28Å; I152-F159 HydrophobicContact CG2-CZ 4.15Å; N156-F159 HydrophobicContact CB-CB 4.33Å; N156-F159 VanDerWaalsContact O-CB 3.24Å; N156-F159 WeakPolarHBondContact O-CB 3.45Å; N156-F159 PolarHBondContact O-N 3.18Å; N156-F159 PolarHBondContact OD1-N 3.35Å; L157-F159 VanDerWaalsContact C-N 3.28Å; L157-F159 PolarHBondContact O-N 2.82Å; F159-F161 HydrophobicContact CE1-CE1 4.23Å; F159-F161 HydrophobicContact CE1-CE2 4.44Å; F159-F161 HydrophobicContact CE1-CZ 4.19Å; F159-F161 HydrophobicContact CZ-CD1 4.26Å; F159-F161 HydrophobicContact CZ-CE1 4.02Å; F159-F161 HydrophobicContact CZ-CZ 4.41Å
160	R	88.9	Confident	84.2	Confident	216 Å²	216	128.1 Å²	128.1	82%	0.815	68%	0.677	S	S	*	*			trans	-134.4	149.7	170.6	-74.2	-176	162.2	178	-4.6	109	N158	N158-R160 PolarHBondContact O-N 3.15Å; N158-R160 VanDerWaalsContact O-N 3.15Å
161	F	86.9	Confident	83.7	Confident	130 Å²	130	131.9 Å²	131.9	57%	0.57	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-69.3	133.8	170.4	-69	-70.1	0	0	0	108.7	F145 L149 F159 E163	F145-F161 HydrophobicContact CE2-CZ 4Å; F145-F161 HydrophobicContact CZ-CE2 4.03Å; F145-F161 AromaticContact CZ-CZ 3.78Å; F145-F161 HydrophobicContact CZ-CZ 3.78Å; L149-F161 HydrophobicContact CD2-CE2 3.87Å; L149-F161 HydrophobicContact CD2-CZ 3.74Å; F159-F161 HydrophobicContact CE1-CE1 4.23Å; F159-F161 HydrophobicContact CE1-CE2 4.44Å; F159-F161 HydrophobicContact CE1-CZ 4.19Å; F159-F161 HydrophobicContact CZ-CD1 4.26Å; F159-F161 HydrophobicContact CZ-CE1 4.02Å; F159-F161 HydrophobicContact CZ-CZ 4.41Å; F161-E163 PolarHBondContact O-N 3.45Å
162	H	84.4	Confident	82.9	Confident	186 Å²	186	136.5 Å²	136.5	86%	0.861	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-66.8	121.6	167.8	-67.3	-71.6	0	0	0	108.2	A164	H162-A164 PolarHBondContact O-N 3.37Å
163	E	81.6	Confident	82.2	Confident	178 Å²	178	142.1 Å²	142.1	83%	0.832	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-69.4	120.2	166.2	-62	-164.5	162.9	0	0	107	F161 N165	F161-E163 PolarHBondContact O-N 3.45Å; E163-N165 PolarHBondContact O-N 3.06Å; E163-N165 VanDerWaalsContact O-N 3.07Å
164	A	71	Confident	81.6	Confident	84 Å²	84	144.1 Å²	144.1	69%	0.694	74%	0.744	S	S	*	*			trans	-69.7	106.7	172.8	0	0	0	0	0	107.1	H162 I166	H162-A164 PolarHBondContact O-N 3.37Å; A164-I166 VanDerWaalsContact C-N 3.3Å; A164-I166 PolarHBondContact O-N 3.11Å
165	N	67.2	Low	80.8	Confident	147 Å²	147	140.8 Å²	140.8	79%	0.786	74%	0.739	S	S	*	*			trans	-63.5	97.5	165.4	-71.8	-21.2	0	0	0	106.9	E163 S167	E163-N165 PolarHBondContact O-N 3.06Å; E163-N165 VanDerWaalsContact O-N 3.07Å; N165-S167 PolarHBondContact O-N 3.21Å
166	I	58.5	Low	79.7	Confident	158 Å²	158	142.3 Å²	142.3	81%	0.81	74%	0.737	S	S	*	*			trans	-81.9	97.5	168.7	-61.3	158.8	0	0	0	104.6	A164	A164-I166 VanDerWaalsContact C-N 3.3Å; A164-I166 PolarHBondContact O-N 3.11Å
167	S	54.9	Low	78.7	Confident	180 Å²	180	148.2 Å²	148.2	100%	1.259	77%	0.767	S	S	*	*			trans	-69.9	0	168.8	-46.1	0	0	0	0	111	N165	N165-S167 PolarHBondContact O-N 3.21Å

Retrieved 167 of 167 residues in 84.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).