G4VDS7_SCHMA Loading...

Putative chromobox protein

AlphaFold DB , UniProt , Accession G4VDS7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 245 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	39	Very low	53.2	Low	240 Å²	240	153.6 Å²	153.6	100%	1.182	83%	0.831	S	S	*	*				0	132.9	0	-76.4	-67.1	175.8	0	0	108
2	P	46.1	Very low	52.8	Low	108 Å²	108	150.1 Å²	150.1	70%	0.701	83%	0.826	S	S	*	*			trans	-109.7	175.3	-140.5	39.9	-31.2	0	0	0	114.5
3	S	53.9	Low	52.6	Low	109 Å²	109	145.6 Å²	145.6	76%	0.762	82%	0.821	S	S	*	*			trans	86.3	109.2	146.4	-56.8	0	0	0	0	119.9
4	K	59	Low	52.9	Low	206 Å²	206	139 Å²	139	90%	0.896	80%	0.801	S	S	*	*				-166.2	99.5	121.1	-104.7	166.5	179.9	175.7	0	107.9
5	N	57.4	Low	53.8	Low	139 Å²	139	141.5 Å²	141.5	74%	0.743	80%	0.803	S	S	*	*				89.3	112.6	80.6	-168.6	58.9	0	0	0	111.8
6	S	60	Low	54.8	Low	109 Å²	109	141 Å²	141	76%	0.762	80%	0.797	S	S	*	*			trans	-177.6	106.9	135.2	-90.9	0	0	0	0	109.2
7	P	55.5	Low	56.3	Low	115 Å²	115	142.5 Å²	142.5	75%	0.747	80%	0.796	S	S	*	*			trans	-85.2	115.3	163.4	31.1	-22.8	0	0	0	108.3	S9	P7-S9 PolarHBondContact O-N 3.44Å
8	Q	50.8	Low	58.1	Low	189 Å²	189	140 Å²	140	88%	0.883	78%	0.776	S	S	*	*			trans	-77.4	116.8	163.1	-81.2	-179.9	-68.8	0	0	107.7	E10	Q8-E10 PolarHBondContact O-N 3.42Å
9	S	55.2	Low	59.7	Low	103 Å²	103	139.4 Å²	139.4	72%	0.72	77%	0.766	S	S	*	*			trans	-31.4	114.4	170.2	44	0	0	0	0	114.1	P7 E11	P7-S9 PolarHBondContact O-N 3.44Å; S9-E11 VanDerWaalsContact C-N 3.32Å; S9-E11 PolarHBondContact O-N 2.94Å; S9-E11 VanDerWaalsContact O-N 3.14Å
10	E	55.1	Low	61.5	Low	191 Å²	191	133.8 Å²	133.8	89%	0.893	74%	0.737	S	S	*	*			trans	-73.3	93.7	154.2	-66.6	-155.7	163.5	0	0	107.5	Q8 S12	Q8-E10 PolarHBondContact O-N 3.42Å; E10-S12 PolarHBondContact O-N 2.96Å
11	E	53.3	Low	63	Low	181 Å²	181	132.3 Å²	132.3	85%	0.846	72%	0.724	S	S	*	*			trans	-73.2	81.1	164.2	-152.9	167.2	-179.8	0	0	106.2	S9 A13	S9-E11 VanDerWaalsContact C-N 3.32Å; S9-E11 PolarHBondContact O-N 2.94Å; S9-E11 VanDerWaalsContact O-N 3.14Å; E11-A13 VanDerWaalsContact C-N 3.34Å; E11-A13 PolarHBondContact O-N 2.79Å
12	S	47.8	Very low	65.7	Low	111 Å²	111	126 Å²	126	78%	0.776	69%	0.69	S	S	*	*			trans	-57.5	103.3	166.9	-170.4	0	0	0	0	106.1	E10 G14	E10-S12 PolarHBondContact O-N 2.96Å; S12-G14 VanDerWaalsContact C-N 3.27Å; S12-G14 PolarHBondContact O-N 2.8Å
13	A	51.1	Low	68	Low	92 Å²	92	121 Å²	121	76%	0.76	66%	0.658	S	S	*	*			trans	-54.2	96.3	170.9	0	0	0	0	0	107.3	E11 E15	E11-A13 VanDerWaalsContact C-N 3.34Å; E11-A13 PolarHBondContact O-N 2.79Å; A13-E15 PolarHBondContact O-N 3.16Å
14	G	56.6	Low	69.9	Low	53 Å²	53	119 Å²	119	55%	0.546	64%	0.638	S	S	.	*			trans	-58	124.8	172.2	0	0	0	0	0	106.4	S12 D16	S12-G14 VanDerWaalsContact C-N 3.27Å; S12-G14 PolarHBondContact O-N 2.8Å; G14-D16 PolarHBondContact O-N 3.24Å
15	E	66.1	Low	71.6	Confident	176 Å²	176	115.2 Å²	115.2	82%	0.822	62%	0.622	S	S	*	*			trans	-52.1	110.1	171.6	-66.8	163.2	174.1	0	0	106.4	A13 E17	A13-E15 PolarHBondContact O-N 3.16Å; E15-E17 VanDerWaalsContact C-N 3.28Å; E15-E17 PolarHBondContact O-N 3.23Å
16	D	69.2	Low	73.4	Confident	134 Å²	134	109.6 Å²	109.6	72%	0.717	59%	0.592	S	S	*	*			trans	-67.3	91.8	-177.1	-71.9	-52.6	0	0	0	108.1	G14 F18	G14-D16 PolarHBondContact O-N 3.24Å; D16-F18 HydrophobicContact CB-CD2 4.27Å; D16-F18 HydrophobicContact CB-CE2 3.42Å; D16-F18 VanDerWaalsContact CB-CE2 3.42Å; D16-F18 HydrophobicContact CB-CZ 3.67Å; D16-F18 WeakPolarHBondContact O-CD2 3.37Å; D16-F18 WeakPolarHBondContact O-CE2 3.26Å; D16-F18 PolarHBondContact O-N 3.34Å
17	E	81.7	Confident	75	Confident	167 Å²	167	108.8 Å²	108.8	78%	0.78	57%	0.572	S	S	*	*			trans	-73.2	113.1	175.6	-70.5	175.5	-156.5	0	0	109.4	E15	E15-E17 VanDerWaalsContact C-N 3.28Å; E15-E17 PolarHBondContact O-N 3.23Å
18	F	87.2	Confident	76.9	Confident	97 Å²	97	109.4 Å²	109.4	43%	0.425	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-101.4	138.8	175.5	-61.7	-84.8	0	0	0	111	D16 V20 W39 Y42	D16-F18 HydrophobicContact CB-CD2 4.27Å; D16-F18 HydrophobicContact CB-CE2 3.42Å; D16-F18 VanDerWaalsContact CB-CE2 3.42Å; D16-F18 HydrophobicContact CB-CZ 3.67Å; D16-F18 WeakPolarHBondContact O-CD2 3.37Å; D16-F18 WeakPolarHBondContact O-CE2 3.26Å; D16-F18 PolarHBondContact O-N 3.34Å; F18-V20 PolarHBondContact O-N 3.14Å; F18-W39 HydrophobicContact CB-CD2 4.3Å; F18-W39 HydrophobicContact CB-CE3 3.57Å; F18-W39 HydrophobicContact CB-CH2 4.3Å; F18-W39 HydrophobicContact CB-CZ3 3.58Å; F18-W39 WeakPolarHBondContact O-CZ3 2.98Å; F18-Y42 HydrophobicContact CD1-CE2 4.08Å
19	Q	90.1	Very high	78.8	Confident	128 Å²	128	107.1 Å²	107.1	60%	0.598	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-74.1	122.9	177	-70.1	179.4	14.8	0	0	111	K40	Q19-K40 HydrophobicContact CB-CB 4.1Å; Q19-K40 HydrophobicContact CB-CD 4.2Å; Q19-K40 WeakPolarHBondContact O-CB 3.43Å; Q19-K40 PolarHBondContact O-N 3.01Å
20	V	94	Very high	80.5	Confident	28 Å²	28	109.8 Å²	109.8	17%	0.17	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.5	126.6	173.4	-174.9	0	0	0	0	109.8	F18 I23 L37 W39 L60	F18-V20 PolarHBondContact O-N 3.14Å; V20-I23 HydrophobicContact CG1-CG1 4.47Å; V20-L37 HydrophobicContact CG1-CB 4.39Å; V20-L37 HydrophobicContact CG1-CD1 4.35Å; V20-L37 HydrophobicContact CG1-CD2 4.11Å; V20-L37 HydrophobicContact CG2-CD1 3.64Å; V20-W39 HydrophobicContact CG2-CE3 4.11Å; V20-W39 HydrophobicContact CG2-CZ3 3.7Å; V20-L60 HydrophobicContact CB-CD1 3.92Å; V20-L60 HydrophobicContact CG1-CD1 3.72Å
21	E	94.8	Very high	82.2	Confident	103 Å²	103	104.2 Å²	104.2	48%	0.481	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84	-47.7	172.2	-173.5	-175.3	156.1	0	0	110.9	K38 K40	E21-K38 WeakPolarHBondContact CA-O 3.42Å; E21-K38 HydrophobicContact CB-CB 4.44Å; E21-K38 HydrophobicContact CB-CG 4.03Å; E21-K38 VanDerWaalsContact CB-O 3.26Å; E21-K38 WeakPolarHBondContact CB-O 3.21Å; E21-K38 HydrophobicContact CG-CG 4.37Å; E21-K38 PolarHBondContact N-O 2.93Å; E21-K38 IonicContact OE2-NZ 3.8Å; E21-K38 PolarHBondContact OE2-NZ 3.45Å; E21-K40 HydrophobicContact CB-CB 4.13Å
22	K	94	Very high	84	Confident	107 Å²	107	102.7 Å²	102.7	47%	0.465	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	147.7	-178.3	-168.6	172.6	-177.7	176.8	0	112.2	L24 K38	K22-L24 HydrophobicContact CD-CD2 4.36Å; K22-L24 HydrophobicContact CG-CD2 4.48Å; K22-K38 HydrophobicContact CB-CB 4.26Å; K22-K38 PolarHBondContact N-O 3.34Å; K22-K38 WeakPolarHBondContact O-CB 3.27Å; K22-K38 PolarHBondContact O-N 3.2Å
23	I	95.7	Very high	86.1	Confident	4 Å²	4	100.8 Å²	100.8	2%	0.021	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.8	167.8	-59.6	179.4	0	0	0	109.1	V20 Y35 L37 L60 I61 F64	V20-I23 HydrophobicContact CG1-CG1 4.47Å; I23-Y35 HydrophobicContact CD1-CD1 4.29Å; I23-Y35 HydrophobicContact CG2-CD1 3.6Å; I23-Y35 HydrophobicContact CG2-CG 4.25Å; I23-L37 HydrophobicContact CG1-CD2 3.83Å; I23-L60 HydrophobicContact CD1-CB 4.07Å; I23-L60 HydrophobicContact CG1-CB 4.28Å; I23-I61 HydrophobicContact CD1-CB 4.2Å; I23-I61 HydrophobicContact CD1-CG1 3.55Å; I23-F64 HydrophobicContact CB-CB 4.03Å; I23-F64 HydrophobicContact CB-CD2 3.96Å; I23-F64 HydrophobicContact CB-CG 3.94Å; I23-F64 HydrophobicContact CD1-CB 4.49Å; I23-F64 HydrophobicContact CG2-CB 4.06Å; I23-F64 HydrophobicContact CG2-CD1 3.76Å; I23-F64 HydrophobicContact CG2-CD2 3.58Å; I23-F64 HydrophobicContact CG2-CE1 4.13Å; I23-F64 HydrophobicContact CG2-CE2 3.97Å; I23-F64 HydrophobicContact CG2-CG 3.49Å; I23-F64 VanDerWaalsContact CG2-CG 3.49Å; I23-F64 HydrophobicContact CG2-CZ 4.24Å; I23-F64 WeakPolarHBondContact O-CD2 2.94Å
24	L	93.8	Very high	88.3	Confident	65 Å²	65	97.8 Å²	97.8	34%	0.34	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-42	-175.5	-63.7	179.3	0	0	0	112.5	K22 F36 K38 N47 F64	K22-L24 HydrophobicContact CD-CD2 4.36Å; K22-L24 HydrophobicContact CG-CD2 4.48Å; L24-F36 HydrophobicContact CB-CD1 3.96Å; L24-F36 HydrophobicContact CD1-CD1 3.9Å; L24-F36 HydrophobicContact CD1-CE1 4.05Å; L24-F36 PolarHBondContact N-O 3.38Å; L24-K38 HydrophobicContact CD1-CB 4.22Å; L24-K38 HydrophobicContact CG-CB 4.27Å; L24-N47 VanDerWaalsContact CD1-ND2 3.31Å; L24-N47 WeakPolarHBondContact CD1-ND2 3.3Å; L24-F64 WeakPolarHBondContact O-CE2 3.4Å
25	K	94.4	Very high	90.1	Very high	128 Å²	128	95.3 Å²	95.3	56%	0.557	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.2	163.7	-175.6	-62.3	179.1	-176.4	166.1	0	110.8	Y35 F36 W49	K25-Y35 CarbonylContact O-C 3.59Å; K25-Y35 WeakPolarHBondContact O-CA 3.42Å; K25-F36 HydrophobicContact CB-CB 3.94Å; K25-F36 PolarHBondContact O-N 2.89Å; K25-W49 HydrophobicContact CB-CH2 3.67Å; K25-W49 HydrophobicContact CB-CZ2 4.39Å; K25-W49 HydrophobicContact CB-CZ3 4.32Å
26	V	94.6	Very high	91.6	Very high	21 Å²	21	88.9 Å²	88.9	13%	0.127	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.5	170.2	65.3	0	0	0	0	109.6	K33 E34 Y35 F64 R68	V26-K33 HydrophobicContact CG2-CB 4.47Å; V26-E34 CarbonylContact C-O 3.42Å; V26-E34 WeakPolarHBondContact CA-O 3.03Å; V26-E34 WeakPolarHBondContact CG2-O 3.45Å; V26-Y35 HydrophobicContact CB-CD1 3.8Å; V26-Y35 HydrophobicContact CB-CE1 3.88Å; V26-Y35 HydrophobicContact CG2-CD1 3.78Å; V26-Y35 HydrophobicContact CG2-CE1 3.61Å; V26-Y35 HydrophobicContact CG2-CG 4.36Å; V26-F64 HydrophobicContact CB-CE1 3.7Å; V26-F64 HydrophobicContact CB-CZ 4.25Å; V26-F64 HydrophobicContact CG1-CE1 3.58Å; V26-F64 HydrophobicContact CG1-CZ 4.1Å; V26-R68 VanDerWaalsContact CG1-CZ 3.49Å
27	R	94.4	Very high	92.8	Very high	92 Å²	92	82.5 Å²	82.5	35%	0.347	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	162.8	173.4	74.5	-175.2	-176.2	-172.1	-4.1	110.2	K33 E34 W49	R27-K33 WeakPolarHBondContact O-CA 3.47Å; R27-E34 HydrophobicContact CG-CB 4.07Å; R27-E34 IonicContact CZ-OE2 3.46Å; R27-E34 PolarHBondContact N-O 3.26Å; R27-E34 IonicContact NE-OE2 2.64Å; R27-E34 PolarHBondContact NE-OE2 2.91Å; R27-E34 IonicContact NH2-OE2 2.73Å; R27-E34 PolarHBondContact NH2-OE2 3.24Å; R27-E34 PolarHBondContact O-N 3.21Å; R27-W49 HydrophobicContact CB-CE3 4.42Å; R27-W49 HydrophobicContact CB-CH2 3.88Å; R27-W49 HydrophobicContact CB-CZ3 3.75Å; R27-W49 HydrophobicContact CG-CD2 4.24Å; R27-W49 HydrophobicContact CG-CE3 3.62Å; R27-W49 HydrophobicContact CG-CH2 3.91Å; R27-W49 HydrophobicContact CG-CZ2 4.5Å; R27-W49 HydrophobicContact CG-CZ3 3.45Å; R27-W49 VanDerWaalsContact CG-CZ3 3.45Å; R27-W49 VanDerWaalsContact CZ-CG 3.44Å
28	I	94.5	Very high	93.5	Very high	128 Å²	128	75.6 Å²	75.6	66%	0.656	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.6	175	-59.5	175	0	0	0	107.9	R32 K33	I28-R32 CarbonylContact C-O 3.57Å; I28-R32 WeakPolarHBondContact CA-O 3.47Å; I28-K33 HydrophobicContact CG1-CG 4.46Å
29	R	91.5	Very high	93.9	Very high	141 Å²	141	72.4 Å²	72.4	53%	0.532	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.4	176.8	-170	179.4	-175.7	-178	0.1	108.9	G31 R32	R29-G31 PolarHBondContact O-N 2.77Å; R29-G31 VanDerWaalsContact O-N 3.12Å; R29-R32 PolarHBondContact N-O 2.77Å; R29-R32 PolarHBondContact O-N 3.33Å
30	N	90.1	Very high	94	Very high	159 Å²	159	72.2 Å²	72.2	85%	0.85	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	35	-179.4	-58.9	-4.5	0	0	0	114.1	R32	N30-R32 PolarHBondContact O-N 3.39Å
31	G	91.2	Very high	94	Very high	74 Å²	74	74.8 Å²	74.8	76%	0.763	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	0	-177.7	0	0	0	0	0	115.3	R29	R29-G31 PolarHBondContact O-N 2.77Å; R29-G31 VanDerWaalsContact O-N 3.12Å
32	R	91	Very high	93.9	Very high	148 Å²	148	75.3 Å²	75.3	56%	0.558	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	141.8	175.1	-59.8	-172.7	-177.2	-170	1	110.6	I28 R29 N30 E53	I28-R32 CarbonylContact C-O 3.57Å; I28-R32 WeakPolarHBondContact CA-O 3.47Å; R29-R32 PolarHBondContact N-O 2.77Å; R29-R32 PolarHBondContact O-N 3.33Å; N30-R32 PolarHBondContact O-N 3.39Å; R32-E53 IonicContact CZ-OE1 3.76Å; R32-E53 IonicContact NH1-OE1 2.82Å; R32-E53 PolarHBondContact NH1-OE1 2.86Å; R32-E53 IonicContact NH1-OE2 3.47Å
33	K	93	Very high	93.8	Very high	71 Å²	71	72.6 Å²	72.6	31%	0.309	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134.8	170.4	-67	-173.5	-166.1	166	0	109.2	V26 R27 I28 Y35 E52 E65	V26-K33 HydrophobicContact CG2-CB 4.47Å; R27-K33 WeakPolarHBondContact O-CA 3.47Å; I28-K33 HydrophobicContact CG1-CG 4.46Å; K33-Y35 HydrophobicContact CB-CE2 4.3Å; K33-E52 HydrophobicContact CB-CB 4.43Å; K33-E52 PolarHBondContact O-N 2.96Å; K33-E65 IonicContact NZ-OE1 3.81Å; K33-E65 PolarHBondContact NZ-OE1 3.47Å
34	E	95.8	Very high	93.6	Very high	30 Å²	30	79.5 Å²	79.5	14%	0.14	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.4	171	-64.9	172.4	-177.6	0	0	108.6	V26 R27 W49 E50 P51	V26-E34 CarbonylContact C-O 3.42Å; V26-E34 WeakPolarHBondContact CA-O 3.03Å; V26-E34 WeakPolarHBondContact CG2-O 3.45Å; R27-E34 HydrophobicContact CG-CB 4.07Å; R27-E34 IonicContact CZ-OE2 3.46Å; R27-E34 PolarHBondContact N-O 3.26Å; R27-E34 IonicContact NE-OE2 2.64Å; R27-E34 PolarHBondContact NE-OE2 2.91Å; R27-E34 IonicContact NH2-OE2 2.73Å; R27-E34 PolarHBondContact NH2-OE2 3.24Å; R27-E34 PolarHBondContact O-N 3.21Å; E34-W49 HydrophobicContact CB-CE3 4.09Å; E34-W49 WeakPolarHBondContact O-CZ3 3.49Å; E34-E50 CarbonylContact C-O 3.52Å; E34-E50 VanDerWaalsContact CA-O 3.3Å; E34-E50 WeakPolarHBondContact CA-O 3.43Å; E34-P51 HydrophobicContact CG-CB 4.46Å
35	Y	95.7	Very high	93.7	Very high	0 Å²	0	85.2 Å²	85.2	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.4	179.5	-64.9	-89.1	0	0	0	110.3	I23 K25 V26 K33 W49 E50 E52 L55 I61 F64 E65	I23-Y35 HydrophobicContact CD1-CD1 4.29Å; I23-Y35 HydrophobicContact CG2-CD1 3.6Å; I23-Y35 HydrophobicContact CG2-CG 4.25Å; K25-Y35 CarbonylContact O-C 3.59Å; K25-Y35 WeakPolarHBondContact O-CA 3.42Å; V26-Y35 HydrophobicContact CB-CD1 3.8Å; V26-Y35 HydrophobicContact CB-CE1 3.88Å; V26-Y35 HydrophobicContact CG2-CD1 3.78Å; V26-Y35 HydrophobicContact CG2-CE1 3.61Å; V26-Y35 HydrophobicContact CG2-CG 4.36Å; K33-Y35 HydrophobicContact CB-CE2 4.3Å; Y35-W49 CarbonylContact O-C 3.58Å; Y35-W49 WeakPolarHBondContact O-CA 3.25Å; Y35-E50 PolarHBondContact N-O 3.42Å; Y35-E50 PolarHBondContact O-N 3.07Å; Y35-E52 HydrophobicContact CD2-CB 4.45Å; Y35-E52 HydrophobicContact CE2-CB 3.93Å; Y35-E52 HydrophobicContact CE2-CG 4.04Å; Y35-L55 HydrophobicContact CD2-CD1 3.39Å; Y35-L55 HydrophobicContact CE2-CD1 4.21Å; Y35-L55 HydrophobicContact CG-CD1 3.83Å; Y35-I61 HydrophobicContact CE1-CG2 4.38Å; Y35-F64 HydrophobicContact CD1-CD1 4.24Å; Y35-F64 HydrophobicContact CD1-CE1 4.34Å; Y35-F64 HydrophobicContact CE1-CD1 4.05Å; Y35-F64 HydrophobicContact CE1-CE1 4.3Å; Y35-E65 PolarHBondContact OH-OE1 2.88Å
36	F	96.4	Very high	93.6	Very high	41 Å²	41	82.8 Å²	82.8	18%	0.18	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	111.7	174.9	-166.3	-122.1	0	0	0	108.8	L24 K25 N47 T48 W49	L24-F36 HydrophobicContact CB-CD1 3.96Å; L24-F36 HydrophobicContact CD1-CD1 3.9Å; L24-F36 HydrophobicContact CD1-CE1 4.05Å; L24-F36 PolarHBondContact N-O 3.38Å; K25-F36 HydrophobicContact CB-CB 3.94Å; K25-F36 PolarHBondContact O-N 2.89Å; F36-N47 HydrophobicContact CD1-CB 4.29Å; F36-N47 HydrophobicContact CD2-CB 4.38Å; F36-N47 HydrophobicContact CE1-CB 3.55Å; F36-N47 HydrophobicContact CE2-CB 3.67Å; F36-N47 WeakPolarHBondContact CE2-O 3.42Å; F36-N47 HydrophobicContact CZ-CB 3.2Å; F36-T48 WeakPolarHBondContact CA-O 3.46Å; F36-T48 WeakPolarHBondContact CD2-O 3.44Å; F36-W49 HydrophobicContact CB-CD2 3.89Å; F36-W49 HydrophobicContact CB-CE3 3.82Å; F36-W49 HydrophobicContact CB-CH2 3.8Å; F36-W49 HydrophobicContact CB-CZ2 3.84Å; F36-W49 HydrophobicContact CB-CZ3 3.76Å; F36-W49 AromaticContact CD2-CD1 3.58Å; F36-W49 AromaticContact CD2-CD2 3.84Å; F36-W49 HydrophobicContact CD2-CD2 3.84Å; F36-W49 AromaticContact CD2-CE2 3.59Å; F36-W49 AromaticContact CD2-CG 3.88Å; F36-W49 HydrophobicContact CD2-CG 3.88Å; F36-W49 HydrophobicContact CD2-CZ2 4.21Å; F36-W49 AromaticContact CD2-NE1 3.38Å; F36-W49 AromaticContact CE2-CD1 3.96Å; F36-W49 AromaticContact CE2-NE1 3.78Å; F36-W49 HydrophobicContact CG-CD2 4.29Å; F36-W49 AromaticContact CG-CE2 3.96Å; F36-W49 HydrophobicContact CG-CZ2 4.14Å
37	L	95.6	Very high	93.6	Very high	0 Å²	0	82.6 Å²	82.6	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.1	-170.9	-54	-170.7	0	0	0	111.7	V20 I23 W39 N47 T48 E50 L55	V20-L37 HydrophobicContact CG1-CB 4.39Å; V20-L37 HydrophobicContact CG1-CD1 4.35Å; V20-L37 HydrophobicContact CG1-CD2 4.11Å; V20-L37 HydrophobicContact CG2-CD1 3.64Å; I23-L37 HydrophobicContact CG1-CD2 3.83Å; L37-W39 HydrophobicContact CB-CD2 4.35Å; L37-W39 HydrophobicContact CB-CZ2 4.24Å; L37-W39 HydrophobicContact CD1-CE3 4.32Å; L37-W39 HydrophobicContact CD1-CH2 3.33Å; L37-W39 HydrophobicContact CD1-CZ2 3.61Å; L37-W39 HydrophobicContact CD1-CZ3 3.7Å; L37-W39 HydrophobicContact CG-CZ2 4.43Å; L37-N47 VanDerWaalsContact O-CA 3.26Å; L37-N47 WeakPolarHBondContact O-CA 3.2Å; L37-N47 WeakPolarHBondContact O-CB 3.29Å; L37-N47 VanDerWaalsContact O-CG 3.25Å; L37-N47 PolarHBondContact O-OD1 3.47Å; L37-T48 PolarHBondContact N-O 2.85Å; L37-E50 HydrophobicContact CD1-CB 3.97Å; L37-E50 HydrophobicContact CD1-CG 3.73Å; L37-E50 HydrophobicContact CG-CB 4.35Å; L37-E50 HydrophobicContact CG-CG 4.25Å; L37-L55 HydrophobicContact CD1-CD2 3.27Å; L37-L55 HydrophobicContact CD2-CD1 4.26Å; L37-L55 HydrophobicContact CD2-CD2 4.01Å; L37-L55 HydrophobicContact CG-CD2 4.14Å
38	K	95.9	Very high	93.6	Very high	22 Å²	22	80.8 Å²	80.8	10%	0.096	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.9	158.4	178.6	60.5	176.8	64.7	0	108.1	E21 K22 L24 Y42 E44 N47	E21-K38 WeakPolarHBondContact CA-O 3.42Å; E21-K38 HydrophobicContact CB-CB 4.44Å; E21-K38 HydrophobicContact CB-CG 4.03Å; E21-K38 VanDerWaalsContact CB-O 3.26Å; E21-K38 WeakPolarHBondContact CB-O 3.21Å; E21-K38 HydrophobicContact CG-CG 4.37Å; E21-K38 PolarHBondContact N-O 2.93Å; E21-K38 IonicContact OE2-NZ 3.8Å; E21-K38 PolarHBondContact OE2-NZ 3.45Å; K22-K38 HydrophobicContact CB-CB 4.26Å; K22-K38 PolarHBondContact N-O 3.34Å; K22-K38 WeakPolarHBondContact O-CB 3.27Å; K22-K38 PolarHBondContact O-N 3.2Å; L24-K38 HydrophobicContact CD1-CB 4.22Å; L24-K38 HydrophobicContact CG-CB 4.27Å; K38-Y42 WeakPolarHBondContact CE-O 3.2Å; K38-Y42 PolarHBondContact NZ-O 3.3Å; K38-E44 HydrophobicContact CD-CG 4.06Å; K38-N47 WeakPolarHBondContact CA-OD1 3.25Å; K38-N47 WeakPolarHBondContact CD-OD1 3.31Å
39	W	95.4	Very high	93.7	Very high	31 Å²	31	78.2 Å²	78.2	12%	0.117	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	139.5	178.4	-57.1	111.5	0	0	0	111.2	F18 V20 L37 G41 Y42 D46 T48 E50	F18-W39 HydrophobicContact CB-CD2 4.3Å; F18-W39 HydrophobicContact CB-CE3 3.57Å; F18-W39 HydrophobicContact CB-CH2 4.3Å; F18-W39 HydrophobicContact CB-CZ3 3.58Å; F18-W39 WeakPolarHBondContact O-CZ3 2.98Å; V20-W39 HydrophobicContact CG2-CE3 4.11Å; V20-W39 HydrophobicContact CG2-CZ3 3.7Å; L37-W39 HydrophobicContact CB-CD2 4.35Å; L37-W39 HydrophobicContact CB-CZ2 4.24Å; L37-W39 HydrophobicContact CD1-CE3 4.32Å; L37-W39 HydrophobicContact CD1-CH2 3.33Å; L37-W39 HydrophobicContact CD1-CZ2 3.61Å; L37-W39 HydrophobicContact CD1-CZ3 3.7Å; L37-W39 HydrophobicContact CG-CZ2 4.43Å; W39-G41 PolarHBondContact O-N 2.96Å; W39-Y42 HydrophobicContact CB-CD2 3.69Å; W39-Y42 HydrophobicContact CB-CG 4.14Å; W39-Y42 PolarHBondContact O-N 2.88Å; W39-D46 VanDerWaalsContact CD1-O 3.29Å; W39-T48 WeakPolarHBondContact CZ2-OG1 3.37Å; W39-T48 PolarHBondContact NE1-OG1 3.43Å; W39-T48 VanDerWaalsContact NE1-OG1 3.07Å; W39-E50 HydrophobicContact CH2-CG 3.87Å; W39-E50 HydrophobicContact CZ2-CG 3.57Å
40	K	93.2	Very high	93.8	Very high	124 Å²	124	73.5 Å²	73.5	54%	0.539	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	123.6	-179.1	-173.3	180	175.2	-173.8	0	110.1	Q19 E21 Y42	Q19-K40 HydrophobicContact CB-CB 4.1Å; Q19-K40 HydrophobicContact CB-CD 4.2Å; Q19-K40 WeakPolarHBondContact O-CB 3.43Å; Q19-K40 PolarHBondContact O-N 3.01Å; E21-K40 HydrophobicContact CB-CB 4.13Å; K40-Y42 VanDerWaalsContact C-N 3.31Å
41	G	93.5	Very high	94	Very high	81 Å²	81	67.4 Å²	67.4	84%	0.835	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-5.3	-179.3	0	0	0	0	0	115.2	W39	W39-G41 PolarHBondContact O-N 2.96Å
42	Y	91.9	Very high	94	Very high	114 Å²	114	68 Å²	68	45%	0.447	34%	0.336	S	S	.	.	S	Bend	trans	-102.2	165.8	173.7	-64.7	-91.6	0	0	0	111.2	F18 K38 W39 K40 D46	F18-Y42 HydrophobicContact CD1-CE2 4.08Å; K38-Y42 WeakPolarHBondContact CE-O 3.2Å; K38-Y42 PolarHBondContact NZ-O 3.3Å; W39-Y42 HydrophobicContact CB-CD2 3.69Å; W39-Y42 HydrophobicContact CB-CG 4.14Å; W39-Y42 PolarHBondContact O-N 2.88Å; K40-Y42 VanDerWaalsContact C-N 3.31Å; Y42-D46 HydrophobicContact CD1-CB 4.45Å
43	S	92.8	Very high	94	Very high	51 Å²	51	67.4 Å²	67.4	36%	0.357	34%	0.339	S	S	.	.			trans	-78.6	171.2	177.8	77	0	0	0	0	111.3	E45 D46 N47	S43-E45 PolarHBondContact O-N 3.22Å; S43-E45 WeakPolarHBondContact OG-CB 3.34Å; S43-E45 PolarHBondContact OG-N 3.26Å; S43-D46 WeakPolarHBondContact CB-OD2 3.4Å; S43-D46 PolarHBondContact N-OD2 3.37Å; S43-D46 PolarHBondContact O-N 3.36Å; S43-D46 PolarHBondContact OG-OD2 2.66Å; S43-N47 PolarHBondContact O-OD1 2.91Å
44	E	92.1	Very high	93.9	Very high	148 Å²	148	69.2 Å²	69.2	69%	0.692	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-71.2	-13.4	172.5	-65.4	-177.4	-179.2	0	0	113.1	K38 D46 N47	K38-E44 HydrophobicContact CD-CG 4.06Å; E44-D46 VanDerWaalsContact C-N 3.31Å; E44-N47 WeakPolarHBondContact CA-ND2 3.5Å; E44-N47 WeakPolarHBondContact O-CB 3.32Å; E44-N47 PolarHBondContact O-ND2 2.76Å
45	E	93.9	Very high	93.6	Very high	186 Å²	186	68.4 Å²	68.4	87%	0.869	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-74.8	-26.7	176.3	-55.8	-179.7	-179.8	0	0	111.2	S43 N47	S43-E45 PolarHBondContact O-N 3.22Å; S43-E45 WeakPolarHBondContact OG-CB 3.34Å; S43-E45 PolarHBondContact OG-N 3.26Å; E45-N47 VanDerWaalsContact C-N 3.25Å; E45-N47 PolarHBondContact O-N 3.35Å
46	D	92.8	Very high	93.2	Very high	77 Å²	77	75.5 Å²	75.5	41%	0.412	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-85	3.3	178.3	-54	-65.5	0	0	0	112.7	W39 Y42 S43 E44 T48	W39-D46 VanDerWaalsContact CD1-O 3.29Å; Y42-D46 HydrophobicContact CD1-CB 4.45Å; S43-D46 WeakPolarHBondContact CB-OD2 3.4Å; S43-D46 PolarHBondContact N-OD2 3.37Å; S43-D46 PolarHBondContact O-N 3.36Å; S43-D46 PolarHBondContact OG-OD2 2.66Å; E44-D46 VanDerWaalsContact C-N 3.31Å; D46-T48 PolarHBondContact O-N 2.97Å
47	N	94.4	Very high	92.9	Very high	17 Å²	17	74.6 Å²	74.6	9%	0.091	39%	0.385	C	S	.	.			trans	-64.9	128.4	179.7	-67.9	-13.7	0	0	0	110.3	L24 F36 L37 K38 S43 E44 E45	L24-N47 VanDerWaalsContact CD1-ND2 3.31Å; L24-N47 WeakPolarHBondContact CD1-ND2 3.3Å; F36-N47 HydrophobicContact CD1-CB 4.29Å; F36-N47 HydrophobicContact CD2-CB 4.38Å; F36-N47 HydrophobicContact CE1-CB 3.55Å; F36-N47 HydrophobicContact CE2-CB 3.67Å; F36-N47 WeakPolarHBondContact CE2-O 3.42Å; F36-N47 HydrophobicContact CZ-CB 3.2Å; L37-N47 VanDerWaalsContact O-CA 3.26Å; L37-N47 WeakPolarHBondContact O-CA 3.2Å; L37-N47 WeakPolarHBondContact O-CB 3.29Å; L37-N47 VanDerWaalsContact O-CG 3.25Å; L37-N47 PolarHBondContact O-OD1 3.47Å; K38-N47 WeakPolarHBondContact CA-OD1 3.25Å; K38-N47 WeakPolarHBondContact CD-OD1 3.31Å; S43-N47 PolarHBondContact O-OD1 2.91Å; E44-N47 WeakPolarHBondContact CA-ND2 3.5Å; E44-N47 WeakPolarHBondContact O-CB 3.32Å; E44-N47 PolarHBondContact O-ND2 2.76Å; E45-N47 VanDerWaalsContact C-N 3.25Å; E45-N47 PolarHBondContact O-N 3.35Å
48	T	95.4	Very high	92.8	Very high	53 Å²	53	78.9 Å²	78.9	33%	0.325	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	162.2	-179	60.2	0	0	0	0	111.7	F36 L37 W39 D46 E50	F36-T48 WeakPolarHBondContact CA-O 3.46Å; F36-T48 WeakPolarHBondContact CD2-O 3.44Å; L37-T48 PolarHBondContact N-O 2.85Å; W39-T48 WeakPolarHBondContact CZ2-OG1 3.37Å; W39-T48 PolarHBondContact NE1-OG1 3.43Å; W39-T48 VanDerWaalsContact NE1-OG1 3.07Å; D46-T48 PolarHBondContact O-N 2.97Å; T48-E50 WeakPolarHBondContact CB-OE1 3.22Å; T48-E50 PolarHBondContact OG1-OE1 3.39Å
49	W	96.2	Very high	92.6	Very high	75 Å²	75	84.2 Å²	84.2	28%	0.284	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	109.4	172.2	-73.7	93.3	0	0	0	108.9	K25 R27 E34 Y35 F36	K25-W49 HydrophobicContact CB-CH2 3.67Å; K25-W49 HydrophobicContact CB-CZ2 4.39Å; K25-W49 HydrophobicContact CB-CZ3 4.32Å; R27-W49 HydrophobicContact CB-CE3 4.42Å; R27-W49 HydrophobicContact CB-CH2 3.88Å; R27-W49 HydrophobicContact CB-CZ3 3.75Å; R27-W49 HydrophobicContact CG-CD2 4.24Å; R27-W49 HydrophobicContact CG-CE3 3.62Å; R27-W49 HydrophobicContact CG-CH2 3.91Å; R27-W49 HydrophobicContact CG-CZ2 4.5Å; R27-W49 HydrophobicContact CG-CZ3 3.45Å; R27-W49 VanDerWaalsContact CG-CZ3 3.45Å; R27-W49 VanDerWaalsContact CZ-CG 3.44Å; E34-W49 HydrophobicContact CB-CE3 4.09Å; E34-W49 WeakPolarHBondContact O-CZ3 3.49Å; Y35-W49 CarbonylContact O-C 3.58Å; Y35-W49 WeakPolarHBondContact O-CA 3.25Å; F36-W49 HydrophobicContact CB-CD2 3.89Å; F36-W49 HydrophobicContact CB-CE3 3.82Å; F36-W49 HydrophobicContact CB-CH2 3.8Å; F36-W49 HydrophobicContact CB-CZ2 3.84Å; F36-W49 HydrophobicContact CB-CZ3 3.76Å; F36-W49 AromaticContact CD2-CD1 3.58Å; F36-W49 AromaticContact CD2-CD2 3.84Å; F36-W49 HydrophobicContact CD2-CD2 3.84Å; F36-W49 AromaticContact CD2-CE2 3.59Å; F36-W49 AromaticContact CD2-CG 3.88Å; F36-W49 HydrophobicContact CD2-CG 3.88Å; F36-W49 HydrophobicContact CD2-CZ2 4.21Å; F36-W49 AromaticContact CD2-NE1 3.38Å; F36-W49 AromaticContact CE2-CD1 3.96Å; F36-W49 AromaticContact CE2-NE1 3.78Å; F36-W49 HydrophobicContact CG-CD2 4.29Å; F36-W49 AromaticContact CG-CE2 3.96Å; F36-W49 HydrophobicContact CG-CZ2 4.14Å
50	E	93.9	Very high	92.5	Very high	42 Å²	42	84.9 Å²	84.9	20%	0.196	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.3	179.3	-62.1	-52.5	137	0	0	110.8	E34 Y35 L37 W39 T48 L55	E34-E50 CarbonylContact C-O 3.52Å; E34-E50 VanDerWaalsContact CA-O 3.3Å; E34-E50 WeakPolarHBondContact CA-O 3.43Å; Y35-E50 PolarHBondContact N-O 3.42Å; Y35-E50 PolarHBondContact O-N 3.07Å; L37-E50 HydrophobicContact CD1-CB 3.97Å; L37-E50 HydrophobicContact CD1-CG 3.73Å; L37-E50 HydrophobicContact CG-CB 4.35Å; L37-E50 HydrophobicContact CG-CG 4.25Å; W39-E50 HydrophobicContact CH2-CG 3.87Å; W39-E50 HydrophobicContact CZ2-CG 3.57Å; T48-E50 WeakPolarHBondContact CB-OE1 3.22Å; T48-E50 PolarHBondContact OG1-OE1 3.39Å; E50-L55 HydrophobicContact CB-CD2 3.93Å
51	P	93.5	Very high	92.5	Very high	30 Å²	30	79.9 Å²	79.9	20%	0.195	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	151.8	177.4	30.5	-31.9	0	0	0	110.6	E34 E53 N54	E34-P51 HydrophobicContact CG-CB 4.46Å; P51-E53 HydrophobicContact CB-CG 4.05Å; P51-E53 HydrophobicContact CG-CG 4.03Å; P51-E53 PolarHBondContact O-N 2.79Å; P51-E53 VanDerWaalsContact O-N 3.08Å; P51-N54 HydrophobicContact CG-CB 4.02Å; P51-N54 PolarHBondContact O-N 3.34Å
52	E	91.9	Very high	92.5	Very high	88 Å²	88	82 Å²	82	41%	0.411	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-53.3	-32.1	179.7	-174	173.8	-173.5	0	0	113	K33 Y35 N54 L55	K33-E52 HydrophobicContact CB-CB 4.43Å; K33-E52 PolarHBondContact O-N 2.96Å; Y35-E52 HydrophobicContact CD2-CB 4.45Å; Y35-E52 HydrophobicContact CE2-CB 3.93Å; Y35-E52 HydrophobicContact CE2-CG 4.04Å; E52-N54 PolarHBondContact O-N 3.02Å; E52-L55 PolarHBondContact O-N 2.83Å
53	E	91	Very high	92.5	Very high	135 Å²	135	81.6 Å²	81.6	63%	0.631	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-67.5	-14	177.8	67.5	-163.4	156.3	0	0	114.3	R32 P51	R32-E53 IonicContact CZ-OE1 3.76Å; R32-E53 IonicContact NH1-OE1 2.82Å; R32-E53 PolarHBondContact NH1-OE1 2.86Å; R32-E53 IonicContact NH1-OE2 3.47Å; P51-E53 HydrophobicContact CB-CG 4.05Å; P51-E53 HydrophobicContact CG-CG 4.03Å; P51-E53 PolarHBondContact O-N 2.79Å; P51-E53 VanDerWaalsContact O-N 3.08Å
54	N	90.1	Very high	92.5	Very high	108 Å²	108	80 Å²	80	58%	0.578	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-104.9	7.7	-179.1	-134	57.9	0	0	0	113	P51 E52	P51-N54 HydrophobicContact CG-CB 4.02Å; P51-N54 PolarHBondContact O-N 3.34Å; E52-N54 PolarHBondContact O-N 3.02Å
55	L	89.5	Confident	92.6	Very high	14 Å²	14	76.4 Å²	76.4	7%	0.073	39%	0.385	C	S	.	.			trans	-112.8	103	-173.7	-61.1	-178.3	0	0	0	112.3	Y35 L37 E50 E52 C57 I61	Y35-L55 HydrophobicContact CD2-CD1 3.39Å; Y35-L55 HydrophobicContact CE2-CD1 4.21Å; Y35-L55 HydrophobicContact CG-CD1 3.83Å; L37-L55 HydrophobicContact CD1-CD2 3.27Å; L37-L55 HydrophobicContact CD2-CD1 4.26Å; L37-L55 HydrophobicContact CD2-CD2 4.01Å; L37-L55 HydrophobicContact CG-CD2 4.14Å; E50-L55 HydrophobicContact CB-CD2 3.93Å; E52-L55 PolarHBondContact O-N 2.83Å; L55-C57 PolarHBondContact O-N 3.47Å; L55-C57 VanDerWaalsContact O-N 3.16Å; L55-I61 HydrophobicContact CB-CD1 3.9Å; L55-I61 HydrophobicContact CD1-CD1 4.08Å; L55-I61 HydrophobicContact CD1-CG1 4.37Å
56	D	88.8	Confident	92.6	Very high	149 Å²	149	72 Å²	72	80%	0.797	37%	0.365	S	S	*	.			trans	-87.9	39.5	173.7	-66.4	-46	0	0	0	113.1
57	C	90	Very high	92.5	Very high	22 Å²	22	71.9 Å²	71.9	15%	0.149	36%	0.359	C	S	.	.			trans	-129.8	67.7	-179.3	63.1	0	0	0	0	112.8	L55 D59 L60 I61	L55-C57 PolarHBondContact O-N 3.47Å; L55-C57 VanDerWaalsContact O-N 3.16Å; C57-D59 VanDerWaalsContact C-N 3.27Å; C57-D59 PolarHBondContact O-N 3.01Å; C57-L60 HydrophobicContact CB-CB 4.35Å; C57-L60 HydrophobicContact CB-CD1 4.14Å; C57-L60 HydrophobicContact CB-CG 4.44Å; C57-L60 PolarHBondContact O-N 3.02Å; C57-I61 WeakPolarHBondContact O-CG1 3.49Å; C57-I61 PolarHBondContact O-N 3.31Å
58	P	92.1	Very high	92.3	Very high	90 Å²	90	76.3 Å²	76.3	58%	0.584	37%	0.374	S	S	*	.	H	α-helix	trans	-60.9	-32.6	-174.4	24.5	-34.8	0	0	0	113.6	I61 K62	P58-I61 PolarHBondContact O-N 3.34Å; P58-K62 VanDerWaalsContact O-CB 3.27Å; P58-K62 WeakPolarHBondContact O-CB 3.5Å; P58-K62 PolarHBondContact O-N 2.79Å
59	D	92.2	Very high	92.1	Very high	133 Å²	133	76.3 Å²	76.3	71%	0.711	38%	0.379	S	S	*	.	H	α-helix	trans	-65.6	-44.5	179.6	-64.8	-39	0	0	0	112	C57 K62 E63	C57-D59 VanDerWaalsContact C-N 3.27Å; C57-D59 PolarHBondContact O-N 3.01Å; D59-K62 PolarHBondContact O-N 2.78Å; D59-E63 WeakPolarHBondContact O-CB 3.06Å; D59-E63 PolarHBondContact O-N 3.05Å
60	L	92.5	Very high	91.8	Very high	46 Å²	46	81.1 Å²	81.1	24%	0.241	40%	0.398	C	S	.	.	H	α-helix	trans	-66.3	-39.2	177.5	-68.5	179.9	0	0	0	111.6	V20 I23 C57 F64	V20-L60 HydrophobicContact CB-CD1 3.92Å; V20-L60 HydrophobicContact CG1-CD1 3.72Å; I23-L60 HydrophobicContact CD1-CB 4.07Å; I23-L60 HydrophobicContact CG1-CB 4.28Å; C57-L60 HydrophobicContact CB-CB 4.35Å; C57-L60 HydrophobicContact CB-CD1 4.14Å; C57-L60 HydrophobicContact CB-CG 4.44Å; C57-L60 PolarHBondContact O-N 3.02Å; L60-F64 VanDerWaalsContact O-CB 3.25Å; L60-F64 WeakPolarHBondContact O-CB 3.37Å; L60-F64 PolarHBondContact O-N 3.47Å
61	I	93.7	Very high	91.4	Very high	18 Å²	18	84.4 Å²	84.4	9%	0.092	41%	0.413	C	S	.	.	H	α-helix	trans	-62.1	-51.5	175.8	-65.1	169.7	0	0	0	109.7	I23 Y35 L55 C57 P58 E63 F64 E65	I23-I61 HydrophobicContact CD1-CB 4.2Å; I23-I61 HydrophobicContact CD1-CG1 3.55Å; Y35-I61 HydrophobicContact CE1-CG2 4.38Å; L55-I61 HydrophobicContact CB-CD1 3.9Å; L55-I61 HydrophobicContact CD1-CD1 4.08Å; L55-I61 HydrophobicContact CD1-CG1 4.37Å; C57-I61 WeakPolarHBondContact O-CG1 3.49Å; C57-I61 PolarHBondContact O-N 3.31Å; P58-I61 PolarHBondContact O-N 3.34Å; I61-E63 PolarHBondContact O-N 3.05Å; I61-F64 PolarHBondContact O-N 3.08Å; I61-E65 HydrophobicContact CG2-CG 4.29Å; I61-E65 WeakPolarHBondContact O-CG 3.47Å; I61-E65 PolarHBondContact O-N 2.79Å
62	K	93.1	Very high	91.1	Very high	125 Å²	125	90.8 Å²	90.8	54%	0.543	43%	0.433	S	S	.	.	H	α-helix	trans	-57.7	-49.6	-180	-178.3	-177.5	172.5	-169.2	0	111.5	P58 D59 F64 E65 E66	P58-K62 VanDerWaalsContact O-CB 3.27Å; P58-K62 WeakPolarHBondContact O-CB 3.5Å; P58-K62 PolarHBondContact O-N 2.79Å; D59-K62 PolarHBondContact O-N 2.78Å; K62-F64 VanDerWaalsContact C-N 3.29Å; K62-F64 PolarHBondContact O-N 3.46Å; K62-E65 PolarHBondContact O-N 3.06Å; K62-E66 WeakPolarHBondContact CE-OE1 3.44Å; K62-E66 HydrophobicContact CG-CG 4.41Å; K62-E66 WeakPolarHBondContact O-CB 3.46Å; K62-E66 VanDerWaalsContact O-CG 3.31Å; K62-E66 WeakPolarHBondContact O-CG 3.35Å; K62-E66 PolarHBondContact O-N 3.29Å
63	E	92.4	Very high	90.6	Very high	107 Å²	107	90.6 Å²	90.6	50%	0.5	44%	0.438	S	S	.	.	H	α-helix	trans	-61.4	-40.5	179.4	-161.9	-153.9	134.1	0	0	111.5	D59 I61 R67	D59-E63 WeakPolarHBondContact O-CB 3.06Å; D59-E63 PolarHBondContact O-N 3.05Å; I61-E63 PolarHBondContact O-N 3.05Å; E63-R67 VanDerWaalsContact O-CB 3.29Å; E63-R67 WeakPolarHBondContact O-CB 3.43Å; E63-R67 PolarHBondContact O-N 3Å; E63-R67 IonicContact OE1-CZ 2.66Å; E63-R67 IonicContact OE1-NH2 3.64Å; E63-R67 PolarHBondContact OE1-NH2 3.21Å
64	F	94.2	Very high	89.8	Confident	16 Å²	16	87.9 Å²	87.9	7%	0.07	43%	0.434	C	S	.	.	H	α-helix	trans	-65.4	-45.3	177.1	177.2	-90.9	0	0	0	112.7	I23 L24 V26 Y35 L60 I61 K62 R67 R68	I23-F64 HydrophobicContact CB-CB 4.03Å; I23-F64 HydrophobicContact CB-CD2 3.96Å; I23-F64 HydrophobicContact CB-CG 3.94Å; I23-F64 HydrophobicContact CD1-CB 4.49Å; I23-F64 HydrophobicContact CG2-CB 4.06Å; I23-F64 HydrophobicContact CG2-CD1 3.76Å; I23-F64 HydrophobicContact CG2-CD2 3.58Å; I23-F64 HydrophobicContact CG2-CE1 4.13Å; I23-F64 HydrophobicContact CG2-CE2 3.97Å; I23-F64 HydrophobicContact CG2-CG 3.49Å; I23-F64 VanDerWaalsContact CG2-CG 3.49Å; I23-F64 HydrophobicContact CG2-CZ 4.24Å; I23-F64 WeakPolarHBondContact O-CD2 2.94Å; L24-F64 WeakPolarHBondContact O-CE2 3.4Å; V26-F64 HydrophobicContact CB-CE1 3.7Å; V26-F64 HydrophobicContact CB-CZ 4.25Å; V26-F64 HydrophobicContact CG1-CE1 3.58Å; V26-F64 HydrophobicContact CG1-CZ 4.1Å; Y35-F64 HydrophobicContact CD1-CD1 4.24Å; Y35-F64 HydrophobicContact CD1-CE1 4.34Å; Y35-F64 HydrophobicContact CE1-CD1 4.05Å; Y35-F64 HydrophobicContact CE1-CE1 4.3Å; L60-F64 VanDerWaalsContact O-CB 3.25Å; L60-F64 WeakPolarHBondContact O-CB 3.37Å; L60-F64 PolarHBondContact O-N 3.47Å; I61-F64 PolarHBondContact O-N 3.08Å; K62-F64 VanDerWaalsContact C-N 3.29Å; K62-F64 PolarHBondContact O-N 3.46Å; F64-R67 PolarHBondContact O-N 2.83Å; F64-R68 WeakPolarHBondContact O-CB 3.37Å; F64-R68 PolarHBondContact O-N 3.28Å
65	E	93.2	Very high	88.5	Confident	73 Å²	73	90 Å²	90	34%	0.341	44%	0.444	S	S	.	.	H	α-helix	trans	-67.2	-40.9	178.4	-69.7	-158.8	151	0	0	112.2	K33 Y35 I61 K62 R68 A69	K33-E65 IonicContact NZ-OE1 3.81Å; K33-E65 PolarHBondContact NZ-OE1 3.47Å; Y35-E65 PolarHBondContact OH-OE1 2.88Å; I61-E65 HydrophobicContact CG2-CG 4.29Å; I61-E65 WeakPolarHBondContact O-CG 3.47Å; I61-E65 PolarHBondContact O-N 2.79Å; K62-E65 PolarHBondContact O-N 3.06Å; E65-R68 PolarHBondContact O-N 2.73Å; E65-A69 WeakPolarHBondContact O-CB 3.42Å; E65-A69 PolarHBondContact O-N 3.09Å
66	E	93	Very high	87.1	Confident	94 Å²	94	94.5 Å²	94.5	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-61.5	-44.6	174.9	-76.1	-179.7	-177.9	0	0	111.8	K62 A69 R70	K62-E66 WeakPolarHBondContact CE-OE1 3.44Å; K62-E66 HydrophobicContact CG-CG 4.41Å; K62-E66 WeakPolarHBondContact O-CB 3.46Å; K62-E66 VanDerWaalsContact O-CG 3.31Å; K62-E66 WeakPolarHBondContact O-CG 3.35Å; K62-E66 PolarHBondContact O-N 3.29Å; E66-A69 PolarHBondContact O-N 3.34Å; E66-R70 PolarHBondContact O-N 3.45Å
67	R	91.9	Very high	85.6	Confident	75 Å²	75	91.6 Å²	91.6	28%	0.283	46%	0.464	S	S	.	.	H	α-helix	trans	-59.7	-47.6	176	-166.5	-174.4	-41.2	106.5	4.7	110.9	E63 F64 A69 R70 E71	E63-R67 VanDerWaalsContact O-CB 3.29Å; E63-R67 WeakPolarHBondContact O-CB 3.43Å; E63-R67 PolarHBondContact O-N 3Å; E63-R67 IonicContact OE1-CZ 2.66Å; E63-R67 IonicContact OE1-NH2 3.64Å; E63-R67 PolarHBondContact OE1-NH2 3.21Å; F64-R67 PolarHBondContact O-N 2.83Å; R67-A69 PolarHBondContact O-N 3.01Å; R67-R70 PolarHBondContact O-N 2.85Å; R67-E71 WeakPolarHBondContact O-CG 3.26Å; R67-E71 PolarHBondContact O-N 3.26Å
68	R	90	Very high	84.1	Confident	110 Å²	110	96.1 Å²	96.1	42%	0.415	49%	0.493	S	S	.	.	H	α-helix	trans	-65.7	-37	179	-164.1	-169.9	-178.5	-157.8	5	112.5	V26 F64 E65 R72	V26-R68 VanDerWaalsContact CG1-CZ 3.49Å; F64-R68 WeakPolarHBondContact O-CB 3.37Å; F64-R68 PolarHBondContact O-N 3.28Å; E65-R68 PolarHBondContact O-N 2.73Å; R68-R72 WeakPolarHBondContact O-CB 3.31Å; R68-R72 WeakPolarHBondContact O-CG 3.38Å; R68-R72 PolarHBondContact O-N 3.47Å
69	A	90.5	Very high	81.8	Confident	52 Å²	52	96.4 Å²	96.4	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-44.2	176	0	0	0	0	0	111	E65 E66 R67 R72 T73	E65-A69 WeakPolarHBondContact O-CB 3.42Å; E65-A69 PolarHBondContact O-N 3.09Å; E66-A69 PolarHBondContact O-N 3.34Å; R67-A69 PolarHBondContact O-N 3.01Å; A69-R72 PolarHBondContact O-N 3.09Å; A69-T73 VanDerWaalsContact O-CG2 3.26Å; A69-T73 WeakPolarHBondContact O-CG2 3.18Å; A69-T73 PolarHBondContact O-N 2.83Å; A69-T73 PolarHBondContact O-OG1 2.64Å
70	R	89.5	Confident	80	Confident	177 Å²	177	101.4 Å²	101.4	67%	0.668	51%	0.512	S	S	*	.	H	α-helix	trans	-61.4	-46.7	176.9	-165.6	172.4	-62.8	157.4	6.4	111.8	E66 R67 R72 T73 S74	E66-R70 PolarHBondContact O-N 3.45Å; R67-R70 PolarHBondContact O-N 2.85Å; R70-R72 PolarHBondContact O-N 3.17Å; R70-T73 PolarHBondContact O-N 3.22Å; R70-T73 PolarHBondContact O-OG1 2.81Å; R70-S74 PolarHBondContact O-N 3.47Å; R70-S74 PolarHBondContact O-OG 2.64Å
71	E	87.4	Confident	77.6	Confident	110 Å²	110	105 Å²	105	51%	0.514	54%	0.535	S	S	.	.	H	α-helix	trans	-60.1	-45.4	175.9	-72.4	175.1	176.6	0	0	111.8	R67 T73 S74 L75	R67-E71 WeakPolarHBondContact O-CG 3.26Å; R67-E71 PolarHBondContact O-N 3.26Å; E71-T73 VanDerWaalsContact C-N 3.33Å; E71-T73 PolarHBondContact O-N 3.26Å; E71-S74 PolarHBondContact O-N 3.39Å; E71-S74 PolarHBondContact O-OG 3.22Å; E71-L75 WeakPolarHBondContact O-CG 3.4Å; E71-L75 PolarHBondContact O-N 3.37Å
72	R	87.2	Confident	75.7	Confident	165 Å²	165	109.4 Å²	109.4	62%	0.623	57%	0.568	S	S	*	*	H	α-helix	trans	-59	-42	175.5	-79.5	174.8	68	-175.8	1.1	112.2	R68 A69 R70 T76	R68-R72 WeakPolarHBondContact O-CB 3.31Å; R68-R72 WeakPolarHBondContact O-CG 3.38Å; R68-R72 PolarHBondContact O-N 3.47Å; A69-R72 PolarHBondContact O-N 3.09Å; R70-R72 PolarHBondContact O-N 3.17Å; R72-T76 VanDerWaalsContact O-CG2 3.28Å; R72-T76 WeakPolarHBondContact O-CG2 3.37Å
73	T	81.2	Confident	73.7	Confident	84 Å²	84	108.5 Å²	108.5	52%	0.515	58%	0.578	S	S	.	*	H	α-helix	trans	-71.3	-33.2	179.6	63.6	0	0	0	0	113.4	A69 R70 E71 L75 T76 S77	A69-T73 VanDerWaalsContact O-CG2 3.26Å; A69-T73 WeakPolarHBondContact O-CG2 3.18Å; A69-T73 PolarHBondContact O-N 2.83Å; A69-T73 PolarHBondContact O-OG1 2.64Å; R70-T73 PolarHBondContact O-N 3.22Å; R70-T73 PolarHBondContact O-OG1 2.81Å; E71-T73 VanDerWaalsContact C-N 3.33Å; E71-T73 PolarHBondContact O-N 3.26Å; T73-L75 VanDerWaalsContact C-N 3.31Å; T73-L75 PolarHBondContact O-N 3.21Å; T73-T76 PolarHBondContact O-N 3.13Å; T73-T76 PolarHBondContact O-OG1 2.66Å; T73-S77 PolarHBondContact O-OG 3.24Å
74	S	72.8	Confident	71.8	Confident	77 Å²	77	109.9 Å²	109.9	54%	0.538	59%	0.594	S	S	.	*	H	α-helix	trans	-68.5	-28.9	178.7	64.9	0	0	0	0	113.4	R70 E71	R70-S74 PolarHBondContact O-N 3.47Å; R70-S74 PolarHBondContact O-OG 2.64Å; E71-S74 PolarHBondContact O-N 3.39Å; E71-S74 PolarHBondContact O-OG 3.22Å
75	L	64.2	Low	69.7	Low	152 Å²	152	116.2 Å²	116.2	80%	0.796	63%	0.628	S	S	*	*	H	α-helix	trans	-85.7	-12.7	-178.8	-66.1	170.3	0	0	0	113.5	E71 T73	E71-L75 WeakPolarHBondContact O-CG 3.4Å; E71-L75 PolarHBondContact O-N 3.37Å; T73-L75 VanDerWaalsContact C-N 3.31Å; T73-L75 PolarHBondContact O-N 3.21Å
76	T	59.1	Low	67.9	Low	109 Å²	109	118.5 Å²	118.5	67%	0.669	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	6.3	-177.8	70.5	0	0	0	0	113.5	R72 T73 P78	R72-T76 VanDerWaalsContact O-CG2 3.28Å; R72-T76 WeakPolarHBondContact O-CG2 3.37Å; T73-T76 PolarHBondContact O-N 3.13Å; T73-T76 PolarHBondContact O-OG1 2.66Å; T76-P78 VanDerWaalsContact O-CD 3.27Å; T76-P78 WeakPolarHBondContact O-CD 3.37Å
77	S	58.7	Low	66.1	Low	89 Å²	89	123 Å²	123	62%	0.622	67%	0.67	S	S	*	*			trans	-86.4	109.4	174.4	-62.8	0	0	0	0	109.5	T73	T73-S77 PolarHBondContact O-OG 3.24Å
78	P	57.6	Low	64	Low	116 Å²	116	123.9 Å²	123.9	75%	0.753	69%	0.686	S	S	*	*			trans	-66.1	138.5	175.2	28.7	-32.5	0	0	0	109.1	T76 R80	T76-P78 VanDerWaalsContact O-CD 3.27Å; T76-P78 WeakPolarHBondContact O-CD 3.37Å; P78-R80 PolarHBondContact O-N 3.44Å
79	A	44.3	Very low	62.1	Low	96 Å²	96	127.9 Å²	127.9	79%	0.793	71%	0.706	S	S	*	*			trans	-36.6	105.8	173	0	0	0	0	0	112.6	T81	A79-T81 PolarHBondContact O-N 3.35Å
80	R	53.6	Low	59.9	Low	239 Å²	239	133.1 Å²	133.1	90%	0.902	73%	0.727	S	S	*	*			trans	-91.6	93.3	156.5	-98.7	-176.4	159.5	-137.1	-2.9	107.6	P78 S82	P78-R80 PolarHBondContact O-N 3.44Å; R80-S82 PolarHBondContact O-N 3.16Å; R80-S82 VanDerWaalsContact O-N 3.1Å
81	T	42.9	Very low	57.9	Low	120 Å²	120	135.4 Å²	135.4	74%	0.736	74%	0.736	S	S	*	*			trans	-50.5	106.1	156.3	54.4	0	0	0	0	108.6	A79	A79-T81 PolarHBondContact O-N 3.35Å
82	S	53.7	Low	56.3	Low	111 Å²	111	135.3 Å²	135.3	78%	0.776	75%	0.747	S	S	*	*			trans	-109.9	77	160.8	63	0	0	0	0	108.2	R80 T84	R80-S82 PolarHBondContact O-N 3.16Å; R80-S82 VanDerWaalsContact O-N 3.1Å; S82-T84 PolarHBondContact O-N 2.97Å
83	S	50	Low	54.6	Low	107 Å²	107	137.8 Å²	137.8	75%	0.748	76%	0.762	S	S	*	*			trans	-56.5	103	152.2	20.3	0	0	0	0	108.7
84	T	53.4	Low	52.6	Low	136 Å²	136	137 Å²	137	83%	0.834	77%	0.771	S	S	*	*			trans	-145.3	117.4	138.5	34.3	0	0	0	0	108.5	S82	S82-T84 PolarHBondContact O-N 2.97Å
85	D	50	Low	51.3	Low	148 Å²	148	139.2 Å²	139.2	79%	0.791	79%	0.787	S	S	*	*			trans	-66.9	127.2	175.7	-173	-98.5	0	0	0	110.1
86	S	54.6	Low	50.5	Low	122 Å²	122	137 Å²	137	85%	0.853	78%	0.784	S	S	*	*			trans	-167.9	96.2	155.5	-80.7	0	0	0	0	110.3
87	K	55	Low	50.2	Low	187 Å²	187	139.2 Å²	139.2	81%	0.813	79%	0.791	S	S	*	*			trans	-81.3	175.3	175.1	-162.8	158.1	168.8	-177.1	0	109.3
88	P	48.6	Very low	50	Low	95 Å²	95	140.2 Å²	140.2	62%	0.617	80%	0.798	S	S	*	*				-133.9	-166.8	-82.1	41.7	-21.8	0	0	0	112.9
89	K	49.8	Very low	49.6	Very low	193 Å²	193	140.2 Å²	140.2	84%	0.839	80%	0.801	S	S	*	*			trans	84.8	111.3	162.6	-65.5	169.5	-177.9	-179.3	0	117.4
90	N	45.5	Very low	50	Low	162 Å²	162	142.4 Å²	142.4	87%	0.866	80%	0.799	S	S	*	*				-155.5	138	101.5	-134.8	-9.8	0	0	0	113.3
91	R	46.5	Very low	49.8	Very low	226 Å²	226	136.4 Å²	136.4	85%	0.853	79%	0.793	S	S	*	*			trans	-76.1	143.9	173.8	-75.8	158.4	68.3	-176.1	2.9	108.9
92	S	54.8	Low	50.3	Low	108 Å²	108	136.3 Å²	136.3	76%	0.755	79%	0.793	S	S	*	*				158.6	126.6	106.8	51.6	0	0	0	0	114.1
93	K	49.7	Very low	50.3	Low	216 Å²	216	139.9 Å²	139.9	94%	0.939	79%	0.794	S	S	*	*			trans	60.3	130.4	135.2	-69.5	-178.3	172.9	178.5	0	122.1
94	G	40.6	Very low	50.3	Low	67 Å²	67	142.8 Å²	142.8	69%	0.691	80%	0.796	S	S	*	*			trans	126.1	88.9	151.2	0	0	0	0	0	111.7
95	S	45.6	Very low	50.3	Low	125 Å²	125	144.6 Å²	144.6	87%	0.874	80%	0.799	S	S	*	*				51.9	99.3	73.4	80.3	0	0	0	0	115.6
96	S	47.6	Very low	50.2	Low	104 Å²	104	140.4 Å²	140.4	73%	0.727	79%	0.791	S	S	*	*			trans	-168.9	111.7	157.5	-179.5	0	0	0	0	107
97	L	52.7	Low	49.7	Very low	157 Å²	157	143.9 Å²	143.9	82%	0.822	79%	0.794	S	S	*	*				52.5	111.3	88.6	-57.2	169.2	0	0	0	110.8
98	S	52.6	Low	49.4	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	80%	0.795	S	S	*	*				164.6	131.9	82	37.9	0	0	0	0	106
99	S	49.3	Very low	49.9	Very low	116 Å²	116	145.2 Å²	145.2	81%	0.811	80%	0.803	S	S	*	*				49.5	100.4	83.2	171.7	0	0	0	0	113.8
100	D	53.8	Low	49.9	Very low	142 Å²	142	141.8 Å²	141.8	76%	0.759	80%	0.801	S	S	*	*			trans	-155.2	137.3	133.3	-160.4	60.8	0	0	0	111.7	T102	D100-T102 PolarHBondContact OD2-OG1 2.73Å
101	S	48.5	Very low	50	Low	112 Å²	112	142 Å²	142	78%	0.783	80%	0.797	S	S	*	*			trans	-136.3	113.8	-174.3	-169.7	0	0	0	0	106.5
102	T	55	Low	50.4	Low	119 Å²	119	137 Å²	137	73%	0.73	79%	0.793	S	S	*	*			trans	-171.8	152.7	166.2	36.9	0	0	0	0	107.6	D100	D100-T102 PolarHBondContact OD2-OG1 2.73Å
103	K	53.8	Low	50.1	Low	185 Å²	185	135.2 Å²	135.2	80%	0.804	79%	0.785	S	S	*	*			cis	-173.6	151.1	-16.3	-172.1	172	-179.1	-177	0	104.8
104	E	49.3	Very low	50	Low	168 Å²	168	134.5 Å²	134.5	79%	0.785	78%	0.782	S	S	*	*			trans	-27.9	156.2	172.4	-51.8	-159.4	139.7	0	0	120.9
105	I	52.5	Low	50.7	Low	174 Å²	174	141.3 Å²	141.3	89%	0.892	79%	0.793	S	S	*	*			trans	160.5	124.1	139.9	-79.9	148.4	0	0	0	104.8
106	G	49.2	Very low	50.6	Low	61 Å²	61	145 Å²	145	63%	0.629	79%	0.793	S	S	*	*			cis	124.4	122.5	26.5	0	0	0	0	0	107.9
107	E	43.8	Very low	50.7	Low	194 Å²	194	150.7 Å²	150.7	91%	0.907	80%	0.798	S	S	*	*			trans	65.5	139.1	165.2	-93	164.9	110.8	0	0	117.4
108	E	47.6	Very low	50.1	Low	181 Å²	181	149.3 Å²	149.3	85%	0.846	80%	0.796	S	S	*	*			cis	-157.2	161.5	33.5	-108.6	-171.4	118.1	0	0	111.9
109	V	58.8	Low	50.2	Low	129 Å²	129	148.2 Å²	148.2	78%	0.782	79%	0.789	S	S	*	*			trans	-73.5	161.9	177.7	-178.4	0	0	0	0	109.4
110	P	50.7	Low	50.3	Low	121 Å²	121	148.1 Å²	148.1	79%	0.786	79%	0.788	S	S	*	*				-160	170.3	55.5	40.9	-14.6	0	0	0	122.5
111	E	48.3	Very low	50.5	Low	168 Å²	168	148.9 Å²	148.9	79%	0.785	79%	0.791	S	S	*	*			trans	-57.9	157.2	168.7	-160.8	-166.8	138	0	0	114.2
112	P	54.2	Low	50.9	Low	121 Å²	121	149 Å²	149	79%	0.786	79%	0.789	S	S	*	*				-146.9	129	128.1	33	-14.6	0	0	0	117.2
113	A	49.3	Very low	51.1	Low	70 Å²	70	149.3 Å²	149.3	58%	0.579	79%	0.79	S	S	*	*			trans	12.6	123.6	135.1	0	0	0	0	0	122.7
114	K	47.7	Very low	51.1	Low	201 Å²	201	146 Å²	146	87%	0.874	79%	0.79	S	S	*	*				41.2	107.8	126.8	-61.3	177.1	-179.5	170.9	0	119.3
115	K	54.2	Low	51.8	Low	210 Å²	210	144.5 Å²	144.5	91%	0.913	79%	0.793	S	S	*	*			trans	-144.3	119.6	145.1	-71.9	-169.9	-179.6	165.5	0	113.5
116	K	43	Very low	52.1	Low	202 Å²	202	145.3 Å²	145.3	88%	0.878	79%	0.793	S	S	*	*			trans	-61.2	137.5	162.2	-63.3	173.7	173.8	-179.2	0	110.3
117	R	50.2	Low	51.8	Low	223 Å²	223	151.7 Å²	151.7	84%	0.842	81%	0.806	S	S	*	*			trans	-167.4	94.7	158.7	-95.2	173.9	80.6	164.1	5.2	107
118	T	40.9	Very low	52.7	Low	128 Å²	128	148.1 Å²	148.1	79%	0.785	80%	0.802	S	S	*	*				16	106.8	90	100.3	0	0	0	0	115.1
119	S	53.7	Low	52.6	Low	88 Å²	88	144.1 Å²	144.1	62%	0.615	80%	0.801	S	S	*	*				166.7	113.3	127	62.5	0	0	0	0	111
120	S	51.3	Low	52.1	Low	114 Å²	114	141.3 Å²	141.3	80%	0.797	80%	0.797	S	S	*	*				51.5	102.6	126.5	-30.7	0	0	0	0	118.6
121	I	58.9	Low	51.7	Low	157 Å²	157	144.8 Å²	144.8	81%	0.805	80%	0.803	S	S	*	*			trans	-107.2	112.4	156.5	-57.8	173.5	0	0	0	107.1
122	P	56.7	Low	52.5	Low	115 Å²	115	143.2 Å²	143.2	75%	0.747	81%	0.805	S	S	*	*			trans	-86.7	126.4	163.4	31.9	-26.4	0	0	0	109.2
123	V	59.7	Low	52.2	Low	125 Å²	125	142.8 Å²	142.8	76%	0.758	80%	0.802	S	S	*	*			trans	-91.6	105.9	174.1	-156.9	0	0	0	0	107.4
124	S	52.8	Low	52.1	Low	115 Å²	115	146.5 Å²	146.5	80%	0.804	81%	0.812	S	S	*	*			trans	-73	125.6	165.1	-68.4	0	0	0	0	108.8
125	V	63.8	Low	52.7	Low	138 Å²	138	143.3 Å²	143.3	84%	0.836	81%	0.809	S	S	*	*			trans	-126.9	128.1	163.5	-103.6	0	0	0	0	108
126	E	58.9	Low	52.4	Low	191 Å²	191	138.4 Å²	138.4	89%	0.893	80%	0.799	S	S	*	*			trans	-70.8	142	-164.7	-64.3	176.5	114.6	0	0	113
127	E	43.9	Very low	52.6	Low	194 Å²	194	136.1 Å²	136.1	91%	0.907	80%	0.796	S	S	*	*			trans	-78	120.3	170.8	-174	177.7	116.8	0	0	108.8
128	S	62.8	Low	52.8	Low	119 Å²	119	134.3 Å²	134.3	83%	0.832	80%	0.797	S	S	*	*			trans	-122.3	108.3	167.1	-174.5	0	0	0	0	108.8
129	A	44	Very low	53	Low	98 Å²	98	132.9 Å²	132.9	81%	0.81	79%	0.79	S	S	*	*			trans	-61	133.7	175.2	0	0	0	0	0	111.6
130	G	48.5	Very low	52.7	Low	69 Å²	69	138.3 Å²	138.3	71%	0.711	80%	0.803	S	S	*	*			trans	-148.9	108.1	173.4	0	0	0	0	0	109.1
131	E	43.5	Very low	52.7	Low	195 Å²	195	141.6 Å²	141.6	91%	0.911	81%	0.805	S	S	*	*			trans	-62.4	138.8	-172.9	-165	148.6	75.5	0	0	113.4
132	V	64.5	Low	52	Low	135 Å²	135	140 Å²	140	82%	0.818	81%	0.808	S	S	*	*			trans	-135.4	123.3	167.6	-143.2	0	0	0	0	109.9
133	P	48.5	Very low	52.1	Low	111 Å²	111	140.8 Å²	140.8	72%	0.721	81%	0.805	S	S	*	*			trans	-86.9	135.8	-176.7	32.3	-31.2	0	0	0	113.2
134	N	46.1	Very low	51.7	Low	148 Å²	148	140 Å²	140	79%	0.791	80%	0.797	S	S	*	*			trans	-3	124.5	155.2	-157.7	-34.3	0	0	0	118.4
135	V	61.3	Low	51.9	Low	135 Å²	135	142.4 Å²	142.4	82%	0.818	80%	0.795	S	S	*	*			trans	-120.7	132.6	160.2	-173	0	0	0	0	108.7
136	P	47.3	Very low	51.2	Low	107 Å²	107	143.6 Å²	143.6	70%	0.695	79%	0.791	S	S	*	*			trans	-92.4	144	-167.4	4.7	16.2	0	0	0	114.4
137	D	46.6	Very low	50.8	Low	154 Å²	154	140.3 Å²	140.3	82%	0.824	78%	0.776	S	S	*	*			trans	19.9	120.9	146.2	-133.6	-108	0	0	0	120.3
138	E	56	Low	51.1	Low	185 Å²	185	138.5 Å²	138.5	86%	0.864	77%	0.765	S	S	*	*			trans	-148.9	155.2	151.8	-101	-104.4	118.5	0	0	109.4
139	P	45.1	Very low	50.5	Low	98 Å²	98	140.2 Å²	140.2	64%	0.636	76%	0.76	S	S	*	*	P	Polyproline II helix		-99.7	165.7	-125.5	36	-37.7	0	0	0	116.5
140	K	47.4	Very low	50.8	Low	202 Å²	202	143.8 Å²	143.8	88%	0.878	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-53.5	124.1	-177.7	-60.8	163.3	-178.6	169.4	0	114
141	E	49.7	Very low	50.8	Low	182 Å²	182	145.5 Å²	145.5	85%	0.85	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-102.8	129.8	149.6	-86.2	-164.9	157.3	0	0	111	I143	E141-I143 PolarHBondContact O-N 2.77Å
142	S	45.7	Very low	50.9	Low	124 Å²	124	141.6 Å²	141.6	87%	0.867	74%	0.743	S	S	*	*			trans	-72	107.6	-172.6	-50.4	0	0	0	0	111.4
143	I	58.2	Low	49.9	Very low	132 Å²	132	143.6 Å²	143.6	68%	0.677	74%	0.741	S	S	*	*			trans	-125.3	114.3	171.3	-46.3	177.4	0	0	0	109.8	E141	E141-I143 PolarHBondContact O-N 2.77Å
144	N	52.2	Low	49.8	Very low	109 Å²	109	141.1 Å²	141.1	58%	0.583	73%	0.729	S	S	*	*			trans	-27.6	123.2	-176.5	-153.9	2.8	0	0	0	116.5	E146 Q147	N144-E146 PolarHBondContact O-N 2.9Å; N144-Q147 PolarHBondContact O-N 2.83Å
145	E	55.2	Low	49.8	Very low	164 Å²	164	138.5 Å²	138.5	77%	0.766	73%	0.729	S	S	*	*	H	α-helix	trans	-57.8	-19.1	-179.2	-84.3	-176	130.7	0	0	114.1	Q147 K148	E145-Q147 VanDerWaalsContact C-N 3.34Å; E145-Q147 PolarHBondContact O-N 2.81Å; E145-K148 PolarHBondContact O-N 3.46Å
146	E	50.2	Low	49.5	Very low	163 Å²	163	135.4 Å²	135.4	76%	0.762	72%	0.724	S	S	*	*	H	α-helix	trans	-74.1	-22.5	177.3	-142.1	164.4	116.6	0	0	113.4	N144	N144-E146 PolarHBondContact O-N 2.9Å
147	Q	50.6	Low	50.5	Low	122 Å²	122	137.1 Å²	137.1	57%	0.57	72%	0.72	S	S	*	*	H	α-helix	trans	-82.9	-24.4	172.9	-69.9	-177.8	-12.9	0	0	112.3	N144 E145 Q149 K150 V151	N144-Q147 PolarHBondContact O-N 2.83Å; E145-Q147 VanDerWaalsContact C-N 3.34Å; E145-Q147 PolarHBondContact O-N 2.81Å; Q147-Q149 VanDerWaalsContact C-N 3.31Å; Q147-Q149 PolarHBondContact O-N 3.32Å; Q147-K150 PolarHBondContact O-N 2.98Å; Q147-V151 WeakPolarHBondContact O-CG2 3.19Å; Q147-V151 PolarHBondContact O-N 3.48Å
148	K	50	Low	52.3	Low	156 Å²	156	134 Å²	134	68%	0.678	71%	0.707	S	S	*	*	H	α-helix	trans	-70	-27.7	-180	-150.8	171.8	-176.5	-179.2	0	112.4	E145 V152	E145-K148 PolarHBondContact O-N 3.46Å; K148-V152 WeakPolarHBondContact O-CG2 3.42Å
149	Q	50.8	Low	54	Low	155 Å²	155	133.8 Å²	133.8	72%	0.724	70%	0.698	S	S	*	*	H	α-helix	trans	-78.7	-17.5	175.4	-66.1	-175	18.8	0	0	114	Q147	Q147-Q149 VanDerWaalsContact C-N 3.31Å; Q147-Q149 PolarHBondContact O-N 3.32Å
150	K	48.6	Very low	56.3	Low	173 Å²	173	129.3 Å²	129.3	75%	0.752	67%	0.67	S	S	*	*	H	α-helix	trans	-84.6	-29.8	174.7	-131.4	175.9	-176.2	178.8	0	112.5	Q147 A154	Q147-K150 PolarHBondContact O-N 2.98Å; K150-A154 PolarHBondContact O-N 3.46Å
151	V	48.6	Very low	58.7	Low	105 Å²	105	121 Å²	121	64%	0.636	63%	0.634	S	S	*	*	H	α-helix	trans	-73.2	-32.6	179.1	177.6	0	0	0	0	112	Q147 A154	Q147-V151 WeakPolarHBondContact O-CG2 3.19Å; Q147-V151 PolarHBondContact O-N 3.48Å; V151-A154 PolarHBondContact O-N 2.98Å
152	V	47	Very low	60.8	Low	114 Å²	114	115.8 Å²	115.8	69%	0.691	62%	0.622	S	S	*	*	H	α-helix	trans	-77	-23.9	177.6	-174.5	0	0	0	0	112.7	K148	K148-V152 WeakPolarHBondContact O-CG2 3.42Å
153	K	42.6	Very low	63.1	Low	177 Å²	177	112.2 Å²	112.2	77%	0.77	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-12.9	171.2	-88.5	-177.6	175.9	172.4	0	114.2
154	A	46.1	Very low	64.9	Low	58 Å²	58	109.2 Å²	109.2	48%	0.479	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.6	-21.4	178.1	0	0	0	0	0	113.3	K150 V151 G156	K150-A154 PolarHBondContact O-N 3.46Å; V151-A154 PolarHBondContact O-N 2.98Å; A154-G156 PolarHBondContact O-N 3Å
155	A	47.2	Very low	66.9	Low	94 Å²	94	106.6 Å²	106.6	78%	0.777	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-12.5	177.4	0	0	0	0	0	114
156	G	53.7	Low	68.9	Low	70 Å²	70	106 Å²	106	72%	0.722	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	3.6	-179.7	0	0	0	0	0	115.3	A154 T158	A154-G156 PolarHBondContact O-N 3Å; G156-T158 PolarHBondContact O-N 3.27Å
157	K	69.2	Low	71.2	Confident	143 Å²	143	98.8 Å²	98.8	62%	0.622	54%	0.54	S	S	*	.			trans	-82.7	110	172.3	-115.7	86.3	-179	-163.6	0	108.1	R159	K157-R159 PolarHBondContact O-N 2.82Å
158	T	84.1	Confident	73.5	Confident	87 Å²	87	96.5 Å²	96.5	53%	0.534	53%	0.529	S	S	.	.			trans	-51.2	128.8	163.4	50	0	0	0	0	108.1	G156 R163	G156-T158 PolarHBondContact O-N 3.27Å; T158-R163 WeakPolarHBondContact O-CD 3.39Å; T158-R163 WeakPolarHBondContact O-CG 3.26Å
159	R	91.2	Very high	75.8	Confident	181 Å²	181	95.9 Å²	95.9	68%	0.683	52%	0.523	S	S	*	.			trans	-111.4	158.5	178.1	-75.5	-175.6	172.5	177	-2.2	110.7	K157 A162	K157-R159 PolarHBondContact O-N 2.82Å; R159-A162 WeakPolarHBondContact O-CB 3.34Å; R159-A162 PolarHBondContact O-N 3.35Å
160	G	94.9	Very high	78	Confident	5 Å²	5	89 Å²	89	5%	0.052	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	60.6	-140	171.2	0	0	0	0	0	112.3	A162 R163 W186 D193	G160-A162 PolarHBondContact O-N 3.23Å; G160-R163 WeakPolarHBondContact O-CB 3.45Å; G160-R163 WeakPolarHBondContact O-CG 3.36Å; G160-R163 PolarHBondContact O-N 3.45Å; G160-R163 VanDerWaalsContact O-N 3.13Å; G160-W186 VanDerWaalsContact C-CH2 3.46Å; G160-W186 VanDerWaalsContact CA-CZ2 3.46Å; G160-D193 PolarHBondContact N-OD2 3.02Å
161	F	96.2	Very high	80.4	Confident	28 Å²	28	84 Å²	84	12%	0.123	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-65.7	-17.8	180	-66.7	-78.7	0	0	0	114.4	R163 G164 A167 M184 W186 V195 E199 A200 K203	F161-R163 PolarHBondContact O-N 3.44Å; F161-G164 PolarHBondContact O-N 3.44Å; F161-A167 HydrophobicContact CE1-CB 4.37Å; F161-M184 HydrophobicContact CZ-CE 4.11Å; F161-W186 HydrophobicContact CB-CH2 4.39Å; F161-W186 AromaticContact CD1-CH2 3.59Å; F161-W186 HydrophobicContact CD1-CH2 3.59Å; F161-W186 AromaticContact CD1-CZ3 3.67Å; F161-W186 HydrophobicContact CD1-CZ3 3.67Å; F161-W186 HydrophobicContact CD2-CH2 4.13Å; F161-W186 AromaticContact CE1-CH2 3.81Å; F161-W186 HydrophobicContact CE1-CH2 3.81Å; F161-W186 AromaticContact CE1-CZ3 3.87Å; F161-W186 HydrophobicContact CE1-CZ3 3.87Å; F161-W186 HydrophobicContact CE2-CH2 4.33Å; F161-W186 AromaticContact CG-CH2 3.77Å; F161-W186 HydrophobicContact CG-CH2 3.77Å; F161-W186 HydrophobicContact CG-CZ3 4.27Å; F161-W186 HydrophobicContact CZ-CH2 4.17Å; F161-V195 HydrophobicContact CD2-CB 4.22Å; F161-V195 HydrophobicContact CD2-CG1 4Å; F161-V195 HydrophobicContact CE2-CB 3.89Å; F161-V195 HydrophobicContact CE2-CG1 4.01Å; F161-V195 HydrophobicContact CE2-CG2 3.97Å; F161-E199 WeakPolarHBondContact CB-OE1 3.42Å; F161-E199 VanDerWaalsContact CD2-CD 3.44Å; F161-E199 HydrophobicContact CD2-CG 3.78Å; F161-E199 WeakPolarHBondContact CD2-OE1 3.38Å; F161-E199 HydrophobicContact CE2-CB 4.44Å; F161-E199 HydrophobicContact CE2-CG 4.08Å; F161-A200 HydrophobicContact CE2-CB 4.16Å; F161-A200 HydrophobicContact CZ-CB 4.12Å; F161-K203 HydrophobicContact CB-CD 3.74Å; F161-K203 HydrophobicContact CD1-CB 4.08Å; F161-K203 HydrophobicContact CD1-CD 3.47Å; F161-K203 VanDerWaalsContact CD1-CD 3.47Å; F161-K203 HydrophobicContact CD1-CG 4.41Å; F161-K203 HydrophobicContact CD2-CD 3.82Å; F161-K203 HydrophobicContact CE1-CB 3.69Å; F161-K203 HydrophobicContact CE1-CD 3.95Å; F161-K203 HydrophobicContact CE1-CG 4.46Å; F161-K203 HydrophobicContact CE2-CD 4.25Å; F161-K203 HydrophobicContact CG-CD 3.39Å; F161-K203 HydrophobicContact CZ-CB 3.93Å; F161-K203 HydrophobicContact CZ-CD 4.31Å
162	A	95.2	Very high	82.7	Confident	72 Å²	72	80 Å²	80	60%	0.595	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-68.1	-14.9	175.5	0	0	0	0	0	112.7	R159 G160 G164	R159-A162 WeakPolarHBondContact O-CB 3.34Å; R159-A162 PolarHBondContact O-N 3.35Å; G160-A162 PolarHBondContact O-N 3.23Å; A162-G164 PolarHBondContact O-N 2.89Å
163	R	94.2	Very high	85.2	Confident	48 Å²	48	77 Å²	77	18%	0.181	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-70.3	-13.2	173.8	-65.2	171.6	69.8	-166.5	-1	113.3	T158 G160 F161 L165 W186 S189 E191 D193	T158-R163 WeakPolarHBondContact O-CD 3.39Å; T158-R163 WeakPolarHBondContact O-CG 3.26Å; G160-R163 WeakPolarHBondContact O-CB 3.45Å; G160-R163 WeakPolarHBondContact O-CG 3.36Å; G160-R163 PolarHBondContact O-N 3.45Å; G160-R163 VanDerWaalsContact O-N 3.13Å; F161-R163 PolarHBondContact O-N 3.44Å; R163-L165 HydrophobicContact CB-CD1 4.19Å; R163-L165 HydrophobicContact CB-CG 3.95Å; R163-L165 PolarHBondContact O-N 2.91Å; R163-W186 VanDerWaalsContact NH1-CD1 3.34Å; R163-S189 PolarHBondContact NH2-OG 3.43Å; R163-E191 IonicContact CZ-OE2 3.85Å; R163-E191 PolarHBondContact NH1-O 3.2Å; R163-E191 IonicContact NH2-OE2 2.78Å; R163-E191 PolarHBondContact NH2-OE2 3.38Å; R163-D193 WeakPolarHBondContact CD-OD2 3.45Å; R163-D193 IonicContact CZ-OD2 3.66Å; R163-D193 IonicContact NE-OD2 3.58Å; R163-D193 IonicContact NH1-OD2 2.69Å; R163-D193 PolarHBondContact NH1-OD2 3.28Å
164	G	94.4	Very high	87.8	Confident	70 Å²	70	70.7 Å²	70.7	72%	0.722	42%	0.415	S	S	*	.			trans	68.2	11.8	-176.2	0	0	0	0	0	114.2	F161 A162	F161-G164 PolarHBondContact O-N 3.44Å; A162-G164 PolarHBondContact O-N 2.89Å
165	L	95.7	Very high	90.3	Very high	54 Å²	54	73.7 Å²	73.7	28%	0.283	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-81.4	146.5	177.4	-58.6	178.6	0	0	0	110.8	R163 A167 W186	R163-L165 HydrophobicContact CB-CD1 4.19Å; R163-L165 HydrophobicContact CB-CG 3.95Å; R163-L165 PolarHBondContact O-N 2.91Å; L165-A167 PolarHBondContact O-N 2.86Å; L165-W186 HydrophobicContact CB-CB 3.83Å; L165-W186 HydrophobicContact CB-CD2 4.16Å; L165-W186 HydrophobicContact CB-CE3 3.9Å; L165-W186 HydrophobicContact CB-CG 4.14Å; L165-W186 HydrophobicContact CD1-CB 3.74Å; L165-W186 HydrophobicContact CD1-CG 4.04Å; L165-W186 HydrophobicContact CG-CB 4.46Å; L165-W186 WeakPolarHBondContact O-CZ3 3.29Å
166	K	97.1	Very high	92.5	Very high	151 Å²	151	74.2 Å²	74.2	66%	0.657	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-75.2	125.6	174.8	-176.7	166.6	-179.6	168.9	0	109.3	E168 K187	K166-E168 PolarHBondContact O-N 3.02Å; K166-K187 HydrophobicContact CB-CB 4.37Å; K166-K187 HydrophobicContact CB-CD 4.43Å; K166-K187 HydrophobicContact CB-CG 4.37Å; K166-K187 HydrophobicContact CD-CD 4.2Å; K166-K187 HydrophobicContact CG-CD 4.31Å; K166-K187 PolarHBondContact O-N 3.1Å
167	A	98	Very high	94.2	Very high	11 Å²	11	74.5 Å²	74.5	9%	0.091	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	135.1	172.4	0	0	0	0	0	110.3	F161 L165 M184 W186 C204 I207	F161-A167 HydrophobicContact CE1-CB 4.37Å; L165-A167 PolarHBondContact O-N 2.86Å; A167-M184 HydrophobicContact CB-CE 4.31Å; A167-M184 HydrophobicContact CB-CG 4.27Å; A167-M184 HydrophobicContact CB-SD 3.71Å; A167-W186 HydrophobicContact CB-CE3 4.34Å; A167-W186 HydrophobicContact CB-CZ3 4.1Å; A167-C204 HydrophobicContact CB-CB 4.29Å; A167-I207 HydrophobicContact CB-CD1 3.59Å; A167-I207 VanDerWaalsContact O-CD1 3.25Å; A167-I207 WeakPolarHBondContact O-CD1 3.25Å
168	E	97.9	Very high	95.5	Very high	74 Å²	74	71.4 Å²	71.4	35%	0.346	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-52.6	179.9	-171.3	-174.9	137.1	0	0	111.6	K166 K185 K187	K166-E168 PolarHBondContact O-N 3.02Å; E168-K185 HydrophobicContact CB-CG 4.43Å; E168-K185 WeakPolarHBondContact CB-O 3.45Å; E168-K185 PolarHBondContact N-O 3.25Å; E168-K185 IonicContact OE1-NZ 2.77Å; E168-K185 PolarHBondContact OE1-NZ 2.9Å; E168-K185 IonicContact OE2-NZ 3.11Å; E168-K185 PolarHBondContact OE2-NZ 2.9Å; E168-K187 HydrophobicContact CB-CG 3.85Å; E168-K187 HydrophobicContact CG-CG 4.11Å
169	R	98.1	Very high	96.1	Very high	144 Å²	144	71.7 Å²	71.7	54%	0.543	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	156.6	177.5	64.7	179.3	-172.1	-176.5	0.7	111.2	K185	R169-K185 HydrophobicContact CG-CB 3.89Å; R169-K185 HydrophobicContact CG-CD 4.15Å; R169-K185 PolarHBondContact N-O 3.34Å; R169-K185 WeakPolarHBondContact O-CB 3.46Å; R169-K185 PolarHBondContact O-N 3.28Å
170	I	98.5	Very high	96.4	Very high	9 Å²	9	66.5 Å²	66.5	5%	0.046	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.9	167.3	-64.6	162.2	0	0	0	108.6	G172 F182 M184 I207 V208 F211	I170-G172 VanDerWaalsContact CG2-O 3.25Å; I170-G172 WeakPolarHBondContact CG2-O 3.49Å; I170-F182 HydrophobicContact CD1-CB 4.19Å; I170-F182 HydrophobicContact CD1-CD1 3.97Å; I170-F182 HydrophobicContact CD1-CD2 3.75Å; I170-F182 HydrophobicContact CD1-CE1 4.26Å; I170-F182 HydrophobicContact CD1-CE2 4.05Å; I170-F182 HydrophobicContact CD1-CG 3.72Å; I170-F182 HydrophobicContact CD1-CZ 4.3Å; I170-F182 HydrophobicContact CG1-CB 4.09Å; I170-F182 HydrophobicContact CG1-CG 4.16Å; I170-F182 HydrophobicContact CG2-CB 3.88Å; I170-F182 HydrophobicContact CG2-CD1 3.68Å; I170-F182 HydrophobicContact CG2-CG 3.99Å; I170-M184 HydrophobicContact CD1-CE 4.36Å; I170-M184 HydrophobicContact CG1-CE 3.74Å; I170-M184 HydrophobicContact CG1-SD 4.02Å; I170-I207 HydrophobicContact CD1-CG2 4.35Å; I170-I207 HydrophobicContact CG1-CG2 4.12Å; I170-V208 HydrophobicContact CD1-CB 4.31Å; I170-V208 HydrophobicContact CD1-CG2 3.9Å; I170-F211 HydrophobicContact CB-CB 3.97Å; I170-F211 HydrophobicContact CB-CD2 3.63Å; I170-F211 HydrophobicContact CB-CE2 4.27Å; I170-F211 HydrophobicContact CB-CG 3.82Å; I170-F211 HydrophobicContact CD1-CB 4.08Å; I170-F211 HydrophobicContact CD1-CG 4.29Å; I170-F211 HydrophobicContact CG2-CB 4.47Å; I170-F211 HydrophobicContact CG2-CD1 4.21Å; I170-F211 HydrophobicContact CG2-CD2 3.43Å; I170-F211 VanDerWaalsContact CG2-CD2 3.43Å; I170-F211 HydrophobicContact CG2-CE1 4.33Å; I170-F211 HydrophobicContact CG2-CE2 3.55Å; I170-F211 HydrophobicContact CG2-CG 3.78Å; I170-F211 HydrophobicContact CG2-CZ 4.02Å
171	I	97.8	Very high	96.6	Very high	69 Å²	69	67.3 Å²	67.3	35%	0.354	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-39	179.4	-57.5	172.1	0	0	0	110.1	L183 K185 A192 R215	I171-L183 HydrophobicContact CB-CB 4.48Å; I171-L183 HydrophobicContact CB-CD2 4.18Å; I171-L183 HydrophobicContact CB-CG 4.29Å; I171-L183 HydrophobicContact CD1-CD2 4.38Å; I171-L183 HydrophobicContact CD1-CG 4.36Å; I171-L183 HydrophobicContact CG2-CD2 4.27Å; I171-L183 PolarHBondContact N-O 2.82Å; I171-K185 HydrophobicContact CD1-CB 3.96Å; I171-K185 HydrophobicContact CG1-CB 4.04Å; I171-A192 HydrophobicContact CD1-CB 4.07Å; I171-R215 PolarHBondContact O-NH2 3.05Å
172	G	98.2	Very high	96.7	Very high	22 Å²	22	66 Å²	66	23%	0.227	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	171.7	-178.1	0	0	0	0	0	112.2	I170 F182 L183	I170-G172 VanDerWaalsContact CG2-O 3.25Å; I170-G172 WeakPolarHBondContact CG2-O 3.49Å; G172-F182 WeakPolarHBondContact O-CA 3.3Å; G172-L183 PolarHBondContact O-N 2.85Å
173	A	98.4	Very high	96.8	Very high	50 Å²	50	65.4 Å²	65.4	41%	0.413	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147	176.9	0	0	0	0	0	109.6	L180 M181 F182 F211	A173-L180 HydrophobicContact CB-CD1 4.16Å; A173-M181 CarbonylContact C-O 3.57Å; A173-M181 VanDerWaalsContact CA-O 3.3Å; A173-M181 WeakPolarHBondContact CA-O 3.45Å; A173-F182 HydrophobicContact CB-CD1 3.74Å; A173-F182 HydrophobicContact CB-CE1 3.84Å; A173-F211 HydrophobicContact CB-CE1 4.01Å; A173-F211 HydrophobicContact CB-CZ 3.88Å
174	T	98.4	Very high	97	Very high	44 Å²	44	63.1 Å²	63.1	27%	0.27	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	148.4	173.2	-175.9	0	0	0	0	109.6	S176 M181 L194	T174-S176 WeakPolarHBondContact OG1-CB 3.29Å; T174-S176 PolarHBondContact OG1-N 3.22Å; T174-S176 PolarHBondContact OG1-OG 3.41Å; T174-M181 HydrophobicContact CG2-CB 3.99Å; T174-M181 PolarHBondContact N-O 3Å; T174-M181 PolarHBondContact O-N 3.06Å; T174-L194 HydrophobicContact CG2-CD2 4.32Å
175	D	97.4	Very high	97.2	Very high	121 Å²	121	62.5 Å²	62.5	65%	0.647	35%	0.354	S	S	*	.			trans	-113.9	10.2	170.9	63.7	-11.8	0	0	0	112.2	S177 G178 E179	D175-S177 PolarHBondContact O-N 3.48Å; D175-G178 PolarHBondContact O-N 3.21Å; D175-E179 WeakPolarHBondContact CA-O 3.46Å
176	S	93.7	Very high	97.3	Very high	105 Å²	105	59.9 Å²	59.9	73%	0.734	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.8	-172.9	61	0	0	0	0	115.2	T174 G178	T174-S176 WeakPolarHBondContact OG1-CB 3.29Å; T174-S176 PolarHBondContact OG1-N 3.22Å; T174-S176 PolarHBondContact OG1-OG 3.41Å; S176-G178 VanDerWaalsContact C-N 3.34Å
177	S	90	Very high	97.3	Very high	77 Å²	77	57 Å²	57	54%	0.538	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.5	174.5	54.7	0	0	0	0	113.7	D175 E179	D175-S177 PolarHBondContact O-N 3.48Å; S177-E179 VanDerWaalsContact C-N 3.31Å; S177-E179 PolarHBondContact OG-O 3.24Å
178	G	96.5	Very high	97.1	Very high	78 Å²	78	64.5 Å²	64.5	80%	0.804	37%	0.366	S	S	*	.	S	Bend	trans	86.5	-0.8	-171.8	0	0	0	0	0	114	D175 S176	D175-G178 PolarHBondContact O-N 3.21Å; S176-G178 VanDerWaalsContact C-N 3.34Å
179	E	96	Very high	96.8	Very high	93 Å²	93	62 Å²	62	44%	0.435	36%	0.357	S	S	.	.	S	Bend	trans	-134.1	151.4	170.1	65.2	177	166.1	0	0	110.1	D175 S177 M181	D175-E179 WeakPolarHBondContact CA-O 3.46Å; S177-E179 VanDerWaalsContact C-N 3.31Å; S177-E179 PolarHBondContact OG-O 3.24Å; E179-M181 HydrophobicContact CG-CG 4.16Å; E179-M181 HydrophobicContact CG-SD 3.83Å; E179-M181 PolarHBondContact O-N 3.44Å
180	L	97.8	Very high	96.6	Very high	71 Å²	71	63 Å²	63	37%	0.372	37%	0.373	S	S	.	.			trans	-70.3	119.6	177.2	-177.6	67.6	0	0	0	110	A173 F182 A197 Y212	A173-L180 HydrophobicContact CB-CD1 4.16Å; L180-F182 HydrophobicContact CD2-CE1 4.47Å; L180-F182 HydrophobicContact CD2-CZ 4.18Å; L180-A197 HydrophobicContact CB-CB 3.89Å; L180-A197 HydrophobicContact CD2-CB 3.55Å; L180-A197 HydrophobicContact CG-CB 3.61Å; L180-A197 WeakPolarHBondContact O-CB 3.49Å; L180-A197 PolarHBondContact O-N 3.19Å; L180-Y212 WeakPolarHBondContact CD2-OH 3.46Å
181	M	98.3	Very high	96.4	Very high	22 Å²	22	67.1 Å²	67.1	11%	0.108	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.8	177.7	-59.2	-66.6	-74.5	0	0	110	A173 T174 E179 L194 V195 P196	A173-M181 CarbonylContact C-O 3.57Å; A173-M181 VanDerWaalsContact CA-O 3.3Å; A173-M181 WeakPolarHBondContact CA-O 3.45Å; T174-M181 HydrophobicContact CG2-CB 3.99Å; T174-M181 PolarHBondContact N-O 3Å; T174-M181 PolarHBondContact O-N 3.06Å; E179-M181 HydrophobicContact CG-CG 4.16Å; E179-M181 HydrophobicContact CG-SD 3.83Å; E179-M181 PolarHBondContact O-N 3.44Å; M181-L194 HydrophobicContact CB-CD2 4.29Å; M181-L194 HydrophobicContact CE-CB 3.98Å; M181-V195 WeakPolarHBondContact CA-O 3.39Å; M181-P196 HydrophobicContact CE-CG 4.02Å; M181-P196 WeakPolarHBondContact SD-CA 3.4Å; M181-P196 HydrophobicContact SD-CB 4.02Å; M181-P196 HydrophobicContact SD-CG 3.95Å
182	F	98.5	Very high	96.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.3	172.3	-67.1	-51.8	0	0	0	110.8	I170 G172 A173 L180 M184 L194 V195 A197 A200 V208 F211 Y212	I170-F182 HydrophobicContact CD1-CB 4.19Å; I170-F182 HydrophobicContact CD1-CD1 3.97Å; I170-F182 HydrophobicContact CD1-CD2 3.75Å; I170-F182 HydrophobicContact CD1-CE1 4.26Å; I170-F182 HydrophobicContact CD1-CE2 4.05Å; I170-F182 HydrophobicContact CD1-CG 3.72Å; I170-F182 HydrophobicContact CD1-CZ 4.3Å; I170-F182 HydrophobicContact CG1-CB 4.09Å; I170-F182 HydrophobicContact CG1-CG 4.16Å; I170-F182 HydrophobicContact CG2-CB 3.88Å; I170-F182 HydrophobicContact CG2-CD1 3.68Å; I170-F182 HydrophobicContact CG2-CG 3.99Å; G172-F182 WeakPolarHBondContact O-CA 3.3Å; A173-F182 HydrophobicContact CB-CD1 3.74Å; A173-F182 HydrophobicContact CB-CE1 3.84Å; L180-F182 HydrophobicContact CD2-CE1 4.47Å; L180-F182 HydrophobicContact CD2-CZ 4.18Å; F182-M184 PolarHBondContact O-N 3.47Å; F182-L194 CarbonylContact O-C 3.59Å; F182-L194 WeakPolarHBondContact O-CA 3.41Å; F182-V195 HydrophobicContact CB-CG2 4.03Å; F182-V195 PolarHBondContact N-O 3.32Å; F182-V195 PolarHBondContact O-N 3.5Å; F182-A197 HydrophobicContact CD2-CB 3.82Å; F182-A197 HydrophobicContact CE2-CB 3.4Å; F182-A197 VanDerWaalsContact CE2-CB 3.4Å; F182-A197 HydrophobicContact CZ-CB 3.92Å; F182-A200 HydrophobicContact CD2-CB 3.76Å; F182-A200 HydrophobicContact CE2-CB 4.2Å; F182-V208 HydrophobicContact CE2-CG1 3.91Å; F182-V208 HydrophobicContact CE2-CG2 4.03Å; F182-V208 HydrophobicContact CZ-CG1 3.88Å; F182-F211 HydrophobicContact CD1-CE1 4.39Å; F182-F211 HydrophobicContact CE1-CD1 4.12Å; F182-F211 AromaticContact CE1-CE1 3.94Å; F182-F211 HydrophobicContact CE1-CE1 3.94Å; F182-Y212 HydrophobicContact CE1-CE2 4.43Å; F182-Y212 AromaticContact CZ-CE2 3.93Å; F182-Y212 HydrophobicContact CZ-CE2 3.93Å; F182-Y212 AromaticContact CZ-CZ 3.9Å; F182-Y212 WeakPolarHBondContact CZ-OH 3.3Å
183	L	98.1	Very high	96.2	Very high	60 Å²	60	65.2 Å²	65.2	31%	0.314	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	104.7	165.8	-177	63.3	0	0	0	108.6	I171 G172 A192 L194	I171-L183 HydrophobicContact CB-CB 4.48Å; I171-L183 HydrophobicContact CB-CD2 4.18Å; I171-L183 HydrophobicContact CB-CG 4.29Å; I171-L183 HydrophobicContact CD1-CD2 4.38Å; I171-L183 HydrophobicContact CD1-CG 4.36Å; I171-L183 HydrophobicContact CG2-CD2 4.27Å; I171-L183 PolarHBondContact N-O 2.82Å; G172-L183 PolarHBondContact O-N 2.85Å; L183-A192 HydrophobicContact CD1-CB 3.83Å; L183-A192 HydrophobicContact CG-CB 4.19Å; L183-L194 HydrophobicContact CB-CD2 4.13Å; L183-L194 HydrophobicContact CD1-CD2 4.3Å
184	M	98.1	Very high	96.1	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.1	-173.5	-169.8	63.2	71.4	0	0	111.6	F161 A167 I170 F182 W186 A192 D193 V195 A200	F161-M184 HydrophobicContact CZ-CE 4.11Å; A167-M184 HydrophobicContact CB-CE 4.31Å; A167-M184 HydrophobicContact CB-CG 4.27Å; A167-M184 HydrophobicContact CB-SD 3.71Å; I170-M184 HydrophobicContact CD1-CE 4.36Å; I170-M184 HydrophobicContact CG1-CE 3.74Å; I170-M184 HydrophobicContact CG1-SD 4.02Å; F182-M184 PolarHBondContact O-N 3.47Å; M184-W186 HydrophobicContact CB-CH2 4.27Å; M184-W186 HydrophobicContact CB-CZ2 3.65Å; M184-W186 HydrophobicContact CG-CD2 4Å; M184-W186 HydrophobicContact CG-CE3 4.15Å; M184-W186 HydrophobicContact CG-CH2 3.65Å; M184-W186 HydrophobicContact CG-CZ2 3.46Å; M184-W186 VanDerWaalsContact CG-CZ2 3.46Å; M184-W186 HydrophobicContact CG-CZ3 4.01Å; M184-A192 VanDerWaalsContact O-CA 3.24Å; M184-A192 WeakPolarHBondContact O-CA 3.44Å; M184-A192 VanDerWaalsContact O-CB 3.3Å; M184-A192 WeakPolarHBondContact O-CB 3.48Å; M184-D193 PolarHBondContact N-O 3.19Å; M184-D193 PolarHBondContact O-N 2.77Å; M184-V195 HydrophobicContact CB-CG1 4.29Å; M184-V195 HydrophobicContact CB-CG2 3.96Å; M184-V195 HydrophobicContact CE-CG2 3.87Å; M184-A200 HydrophobicContact CE-CB 4.3Å
185	K	98.1	Very high	96.1	Very high	57 Å²	57	65.5 Å²	65.5	25%	0.248	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	133.7	163.3	-171.4	172.6	-174.3	-80.1	0	109.3	E168 R169 I171	E168-K185 HydrophobicContact CB-CG 4.43Å; E168-K185 WeakPolarHBondContact CB-O 3.45Å; E168-K185 PolarHBondContact N-O 3.25Å; E168-K185 IonicContact OE1-NZ 2.77Å; E168-K185 PolarHBondContact OE1-NZ 2.9Å; E168-K185 IonicContact OE2-NZ 3.11Å; E168-K185 PolarHBondContact OE2-NZ 2.9Å; R169-K185 HydrophobicContact CG-CB 3.89Å; R169-K185 HydrophobicContact CG-CD 4.15Å; R169-K185 PolarHBondContact N-O 3.34Å; R169-K185 WeakPolarHBondContact O-CB 3.46Å; R169-K185 PolarHBondContact O-N 3.28Å; I171-K185 HydrophobicContact CD1-CB 3.96Å; I171-K185 HydrophobicContact CG1-CB 4.04Å
186	W	98.2	Very high	96.1	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	148.5	178.6	-52.5	97.9	0	0	0	110.8	G160 F161 R163 L165 A167 M184 S189 E191 D193 V195	G160-W186 VanDerWaalsContact C-CH2 3.46Å; G160-W186 VanDerWaalsContact CA-CZ2 3.46Å; F161-W186 HydrophobicContact CB-CH2 4.39Å; F161-W186 AromaticContact CD1-CH2 3.59Å; F161-W186 HydrophobicContact CD1-CH2 3.59Å; F161-W186 AromaticContact CD1-CZ3 3.67Å; F161-W186 HydrophobicContact CD1-CZ3 3.67Å; F161-W186 HydrophobicContact CD2-CH2 4.13Å; F161-W186 AromaticContact CE1-CH2 3.81Å; F161-W186 HydrophobicContact CE1-CH2 3.81Å; F161-W186 AromaticContact CE1-CZ3 3.87Å; F161-W186 HydrophobicContact CE1-CZ3 3.87Å; F161-W186 HydrophobicContact CE2-CH2 4.33Å; F161-W186 AromaticContact CG-CH2 3.77Å; F161-W186 HydrophobicContact CG-CH2 3.77Å; F161-W186 HydrophobicContact CG-CZ3 4.27Å; F161-W186 HydrophobicContact CZ-CH2 4.17Å; R163-W186 VanDerWaalsContact NH1-CD1 3.34Å; L165-W186 HydrophobicContact CB-CB 3.83Å; L165-W186 HydrophobicContact CB-CD2 4.16Å; L165-W186 HydrophobicContact CB-CE3 3.9Å; L165-W186 HydrophobicContact CB-CG 4.14Å; L165-W186 HydrophobicContact CD1-CB 3.74Å; L165-W186 HydrophobicContact CD1-CG 4.04Å; L165-W186 HydrophobicContact CG-CB 4.46Å; L165-W186 WeakPolarHBondContact O-CZ3 3.29Å; A167-W186 HydrophobicContact CB-CE3 4.34Å; A167-W186 HydrophobicContact CB-CZ3 4.1Å; M184-W186 HydrophobicContact CB-CH2 4.27Å; M184-W186 HydrophobicContact CB-CZ2 3.65Å; M184-W186 HydrophobicContact CG-CD2 4Å; M184-W186 HydrophobicContact CG-CE3 4.15Å; M184-W186 HydrophobicContact CG-CH2 3.65Å; M184-W186 HydrophobicContact CG-CZ2 3.46Å; M184-W186 VanDerWaalsContact CG-CZ2 3.46Å; M184-W186 HydrophobicContact CG-CZ3 4.01Å; W186-S189 VanDerWaalsContact O-O 3.11Å; W186-E191 VanDerWaalsContact CD1-O 3.31Å; W186-D193 PolarHBondContact NE1-OD2 2.87Å; W186-V195 HydrophobicContact CH2-CG1 4.07Å; W186-V195 HydrophobicContact CZ2-CG1 3.72Å
187	K	96.6	Very high	96.4	Very high	91 Å²	91	56.7 Å²	56.7	40%	0.396	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	142	169.2	-68.5	-157.7	175.6	-156.8	0	109.7	K166 E168 S189	K166-K187 HydrophobicContact CB-CB 4.37Å; K166-K187 HydrophobicContact CB-CD 4.43Å; K166-K187 HydrophobicContact CB-CG 4.37Å; K166-K187 HydrophobicContact CD-CD 4.2Å; K166-K187 HydrophobicContact CG-CD 4.31Å; K166-K187 PolarHBondContact O-N 3.1Å; E168-K187 HydrophobicContact CB-CG 3.85Å; E168-K187 HydrophobicContact CG-CG 4.11Å; K187-S189 PolarHBondContact O-N 3Å; K187-S189 VanDerWaalsContact O-N 3.09Å
188	D	94.3	Very high	96.7	Very high	168 Å²	168	62.8 Å²	62.8	90%	0.898	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	19.7	177	-45.7	-52.6	0	0	0	114
189	S	92.9	Very high	96.8	Very high	21 Å²	21	62.2 Å²	62.2	15%	0.147	31%	0.31	C	S	.	.			trans	-139.1	136.3	171.4	-174.5	0	0	0	0	111.6	R163 W186 K187 E191	R163-S189 PolarHBondContact NH2-OG 3.43Å; W186-S189 VanDerWaalsContact O-O 3.11Å; K187-S189 PolarHBondContact O-N 3Å; K187-S189 VanDerWaalsContact O-N 3.09Å; S189-E191 PolarHBondContact OG-N 2.92Å
190	D	92.2	Very high	96.9	Very high	164 Å²	164	57.8 Å²	57.8	88%	0.877	29%	0.289	S	S	*	.	S	Bend	trans	-81.8	-21	170.9	58	-20.5	0	0	0	112.8	A192	D190-A192 PolarHBondContact O-N 3.23Å
191	E	93.9	Very high	96.9	Very high	96 Å²	96	58.2 Å²	58.2	45%	0.449	29%	0.292	S	S	.	.			trans	-79.3	111.7	178.4	-175.1	176.8	-157.8	0	0	111.4	R163 W186 S189	R163-E191 IonicContact CZ-OE2 3.85Å; R163-E191 PolarHBondContact NH1-O 3.2Å; R163-E191 IonicContact NH2-OE2 2.78Å; R163-E191 PolarHBondContact NH2-OE2 3.38Å; W186-E191 VanDerWaalsContact CD1-O 3.31Å; S189-E191 PolarHBondContact OG-N 2.92Å
192	A	96.3	Very high	97	Very high	38 Å²	38	64 Å²	64	31%	0.314	32%	0.322	S	S	.	.			trans	-89.3	146.6	173	0	0	0	0	0	111.9	I171 L183 M184 D190	I171-A192 HydrophobicContact CD1-CB 4.07Å; L183-A192 HydrophobicContact CD1-CB 3.83Å; L183-A192 HydrophobicContact CG-CB 4.19Å; M184-A192 VanDerWaalsContact O-CA 3.24Å; M184-A192 WeakPolarHBondContact O-CA 3.44Å; M184-A192 VanDerWaalsContact O-CB 3.3Å; M184-A192 WeakPolarHBondContact O-CB 3.48Å; D190-A192 PolarHBondContact O-N 3.23Å
193	D	96.1	Very high	96.9	Very high	13 Å²	13	69.4 Å²	69.4	7%	0.07	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.9	-179.3	-67.3	-53.5	0	0	0	111.8	G160 R163 M184 W186	G160-D193 PolarHBondContact N-OD2 3.02Å; R163-D193 WeakPolarHBondContact CD-OD2 3.45Å; R163-D193 IonicContact CZ-OD2 3.66Å; R163-D193 IonicContact NE-OD2 3.58Å; R163-D193 IonicContact NH1-OD2 2.69Å; R163-D193 PolarHBondContact NH1-OD2 3.28Å; M184-D193 PolarHBondContact N-O 3.19Å; M184-D193 PolarHBondContact O-N 2.77Å; W186-D193 PolarHBondContact NE1-OD2 2.87Å
194	L	97.2	Very high	96.9	Very high	100 Å²	100	67.3 Å²	67.3	52%	0.524	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.9	165.1	-71.7	175.3	0	0	0	110.1	T174 M181 F182 L183	T174-L194 HydrophobicContact CG2-CD2 4.32Å; M181-L194 HydrophobicContact CB-CD2 4.29Å; M181-L194 HydrophobicContact CE-CB 3.98Å; F182-L194 CarbonylContact O-C 3.59Å; F182-L194 WeakPolarHBondContact O-CA 3.41Å; L183-L194 HydrophobicContact CB-CD2 4.13Å; L183-L194 HydrophobicContact CD1-CD2 4.3Å
195	V	98	Very high	96.9	Very high	1 Å²	1	70 Å²	70	1%	0.006	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.8	175.1	-62.2	0	0	0	0	110.4	F161 M181 F182 M184 W186 A197 A200	F161-V195 HydrophobicContact CD2-CB 4.22Å; F161-V195 HydrophobicContact CD2-CG1 4Å; F161-V195 HydrophobicContact CE2-CB 3.89Å; F161-V195 HydrophobicContact CE2-CG1 4.01Å; F161-V195 HydrophobicContact CE2-CG2 3.97Å; M181-V195 WeakPolarHBondContact CA-O 3.39Å; F182-V195 HydrophobicContact CB-CG2 4.03Å; F182-V195 PolarHBondContact N-O 3.32Å; F182-V195 PolarHBondContact O-N 3.5Å; M184-V195 HydrophobicContact CB-CG1 4.29Å; M184-V195 HydrophobicContact CB-CG2 3.96Å; M184-V195 HydrophobicContact CE-CG2 3.87Å; W186-V195 HydrophobicContact CH2-CG1 4.07Å; W186-V195 HydrophobicContact CZ2-CG1 3.72Å; V195-A197 PolarHBondContact O-N 3.1Å; V195-A200 HydrophobicContact CG2-CB 4.26Å
196	P	97.9	Very high	96.9	Very high	37 Å²	37	74.1 Å²	74.1	24%	0.24	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	133.4	173.5	-23.6	33.9	0	0	0	111.4	M181 R198 E199 A200	M181-P196 HydrophobicContact CE-CG 4.02Å; M181-P196 WeakPolarHBondContact SD-CA 3.4Å; M181-P196 HydrophobicContact SD-CB 4.02Å; M181-P196 HydrophobicContact SD-CG 3.95Å; P196-R198 PolarHBondContact O-N 3.28Å; P196-E199 HydrophobicContact CB-CB 4.45Å; P196-E199 WeakPolarHBondContact O-CB 3.24Å; P196-E199 PolarHBondContact O-N 2.97Å; P196-A200 PolarHBondContact O-N 3.19Å; P196-A200 VanDerWaalsContact O-N 3.1Å
197	A	98.5	Very high	97	Very high	4 Å²	4	75.9 Å²	75.9	3%	0.033	38%	0.382	C	S	.	.	H	α-helix	trans	-58.8	-35.6	179.4	0	0	0	0	0	111.9	L180 F182 V195 E199 A200 N201	L180-A197 HydrophobicContact CB-CB 3.89Å; L180-A197 HydrophobicContact CD2-CB 3.55Å; L180-A197 HydrophobicContact CG-CB 3.61Å; L180-A197 WeakPolarHBondContact O-CB 3.49Å; L180-A197 PolarHBondContact O-N 3.19Å; F182-A197 HydrophobicContact CD2-CB 3.82Å; F182-A197 HydrophobicContact CE2-CB 3.4Å; F182-A197 VanDerWaalsContact CE2-CB 3.4Å; F182-A197 HydrophobicContact CZ-CB 3.92Å; V195-A197 PolarHBondContact O-N 3.1Å; A197-E199 VanDerWaalsContact C-N 3.25Å; A197-E199 PolarHBondContact O-N 2.69Å; A197-A200 PolarHBondContact O-N 2.69Å; A197-N201 WeakPolarHBondContact O-CB 3.3Å; A197-N201 PolarHBondContact O-N 3.01Å; A197-N201 PolarHBondContact O-ND2 3Å; A197-N201 PolarHBondContact O-OD1 3.4Å
198	R	97.9	Very high	97.1	Very high	205 Å²	205	72 Å²	72	77%	0.774	37%	0.366	S	S	*	.	H	α-helix	trans	-55.3	-41	174.6	-63.6	-175.9	-178.4	-159.2	2	112.4	P196	P196-R198 PolarHBondContact O-N 3.28Å
199	E	98	Very high	97.3	Very high	65 Å²	65	67.5 Å²	67.5	30%	0.304	34%	0.341	S	S	.	.	H	α-helix	trans	-74	-42.3	178.6	-169.3	-177.9	-178.5	0	0	111.3	F161 P196 A197 N201 I202 K203	F161-E199 WeakPolarHBondContact CB-OE1 3.42Å; F161-E199 VanDerWaalsContact CD2-CD 3.44Å; F161-E199 HydrophobicContact CD2-CG 3.78Å; F161-E199 WeakPolarHBondContact CD2-OE1 3.38Å; F161-E199 HydrophobicContact CE2-CB 4.44Å; F161-E199 HydrophobicContact CE2-CG 4.08Å; P196-E199 HydrophobicContact CB-CB 4.45Å; P196-E199 WeakPolarHBondContact O-CB 3.24Å; P196-E199 PolarHBondContact O-N 2.97Å; A197-E199 VanDerWaalsContact C-N 3.25Å; A197-E199 PolarHBondContact O-N 2.69Å; E199-N201 PolarHBondContact O-N 3.4Å; E199-I202 PolarHBondContact O-N 3.41Å; E199-K203 HydrophobicContact CG-CD 3.99Å; E199-K203 HydrophobicContact CG-CG 4.49Å; E199-K203 PolarHBondContact O-N 3.12Å; E199-K203 WeakPolarHBondContact OE1-CE 3.45Å; E199-K203 IonicContact OE1-NZ 2.79Å; E199-K203 PolarHBondContact OE1-NZ 2.84Å
200	A	98.4	Very high	97.5	Very high	0 Å²	0	74 Å²	74	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64.7	-37.3	178.8	0	0	0	0	0	113.1	F161 F182 M184 V195 P196 A197 I202 K203 C204 V208	F161-A200 HydrophobicContact CE2-CB 4.16Å; F161-A200 HydrophobicContact CZ-CB 4.12Å; F182-A200 HydrophobicContact CD2-CB 3.76Å; F182-A200 HydrophobicContact CE2-CB 4.2Å; M184-A200 HydrophobicContact CE-CB 4.3Å; V195-A200 HydrophobicContact CG2-CB 4.26Å; P196-A200 PolarHBondContact O-N 3.19Å; P196-A200 VanDerWaalsContact O-N 3.1Å; A197-A200 PolarHBondContact O-N 2.69Å; A200-I202 PolarHBondContact O-N 2.85Å; A200-K203 PolarHBondContact O-N 3.04Å; A200-C204 CarbonylContact O-C 3.58Å; A200-C204 PolarHBondContact O-N 3.22Å; A200-C204 PolarHBondContact O-SG 2.8Å; A200-V208 HydrophobicContact CB-CG2 3.96Å
201	N	98.3	Very high	97.8	Very high	80 Å²	80	66.8 Å²	66.8	43%	0.428	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-32.9	177.6	-68.5	-1.4	0	0	0	112	A197 E199 P205 V208	A197-N201 WeakPolarHBondContact O-CB 3.3Å; A197-N201 PolarHBondContact O-N 3.01Å; A197-N201 PolarHBondContact O-ND2 3Å; A197-N201 PolarHBondContact O-OD1 3.4Å; E199-N201 PolarHBondContact O-N 3.4Å; N201-P205 WeakPolarHBondContact O-CB 3.28Å; N201-V208 WeakPolarHBondContact OD1-CG1 3.44Å
202	I	98.4	Very high	98	Very high	143 Å²	143	67.1 Å²	67.1	73%	0.733	32%	0.321	S	S	*	.	H	α-helix	trans	-84.4	-45.5	178.6	-61.4	169.6	0	0	0	110.5	E199 A200	E199-I202 PolarHBondContact O-N 3.41Å; A200-I202 PolarHBondContact O-N 2.85Å
203	K	98.1	Very high	98	Very high	115 Å²	115	71.6 Å²	71.6	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-80.3	-32.6	-171.2	-71.7	-172.4	175.4	176.3	0	114.5	F161 E199 A200	F161-K203 HydrophobicContact CB-CD 3.74Å; F161-K203 HydrophobicContact CD1-CB 4.08Å; F161-K203 HydrophobicContact CD1-CD 3.47Å; F161-K203 VanDerWaalsContact CD1-CD 3.47Å; F161-K203 HydrophobicContact CD1-CG 4.41Å; F161-K203 HydrophobicContact CD2-CD 3.82Å; F161-K203 HydrophobicContact CE1-CB 3.69Å; F161-K203 HydrophobicContact CE1-CD 3.95Å; F161-K203 HydrophobicContact CE1-CG 4.46Å; F161-K203 HydrophobicContact CE2-CD 4.25Å; F161-K203 HydrophobicContact CG-CD 3.39Å; F161-K203 HydrophobicContact CZ-CB 3.93Å; F161-K203 HydrophobicContact CZ-CD 4.31Å; E199-K203 HydrophobicContact CG-CD 3.99Å; E199-K203 HydrophobicContact CG-CG 4.49Å; E199-K203 PolarHBondContact O-N 3.12Å; E199-K203 WeakPolarHBondContact OE1-CE 3.45Å; E199-K203 IonicContact OE1-NZ 2.79Å; E199-K203 PolarHBondContact OE1-NZ 2.84Å; A200-K203 PolarHBondContact O-N 3.04Å
204	C	97.5	Very high	98	Very high	15 Å²	15	76.8 Å²	76.8	10%	0.101	36%	0.359	C	S	.	.			trans	-147.1	59.7	-177.4	58.3	0	0	0	0	112.5	A167 A200 Q206 I207 V208	A167-C204 HydrophobicContact CB-CB 4.29Å; A200-C204 CarbonylContact O-C 3.58Å; A200-C204 PolarHBondContact O-N 3.22Å; A200-C204 PolarHBondContact O-SG 2.8Å; C204-Q206 VanDerWaalsContact C-N 3.28Å; C204-Q206 PolarHBondContact O-N 2.83Å; C204-I207 HydrophobicContact CB-CB 4.17Å; C204-I207 HydrophobicContact CB-CD1 3.94Å; C204-I207 HydrophobicContact CB-CG1 4.19Å; C204-I207 WeakPolarHBondContact O-CB 3.41Å; C204-I207 PolarHBondContact O-N 2.85Å; C204-V208 PolarHBondContact O-N 3.35Å
205	P	98.6	Very high	97.8	Very high	58 Å²	58	77.5 Å²	77.5	38%	0.377	36%	0.355	S	S	.	.	H	α-helix	trans	-55.1	-40.6	-175	19.8	-32.3	0	0	0	113.1	N201 I207 V208 I209	N201-P205 WeakPolarHBondContact O-CB 3.28Å; P205-I207 VanDerWaalsContact C-N 3.27Å; P205-I207 PolarHBondContact O-N 2.86Å; P205-V208 WeakPolarHBondContact O-CB 3.36Å; P205-V208 PolarHBondContact O-N 3.37Å; P205-V208 VanDerWaalsContact O-N 3.09Å; P205-I209 VanDerWaalsContact O-CG1 3.29Å; P205-I209 WeakPolarHBondContact O-CG1 3.34Å; P205-I209 PolarHBondContact O-N 2.88Å
206	Q	98.5	Very high	97.7	Very high	142 Å²	142	82.8 Å²	82.8	66%	0.664	38%	0.383	S	S	*	.	H	α-helix	trans	-63.5	-31.4	179.7	-62.1	-58.5	-30.1	0	0	113.1	C204 R210	C204-Q206 VanDerWaalsContact C-N 3.28Å; C204-Q206 PolarHBondContact O-N 2.83Å; Q206-R210 WeakPolarHBondContact O-CB 3.27Å; Q206-R210 PolarHBondContact O-N 3.41Å
207	I	98.4	Very high	97.4	Very high	37 Å²	37	85.9 Å²	85.9	19%	0.19	40%	0.401	C	S	.	.	H	α-helix	trans	-72.8	-38.8	175	-63.3	-179.6	0	0	0	110.4	A167 I170 C204 P205 F211	A167-I207 HydrophobicContact CB-CD1 3.59Å; A167-I207 VanDerWaalsContact O-CD1 3.25Å; A167-I207 WeakPolarHBondContact O-CD1 3.25Å; I170-I207 HydrophobicContact CD1-CG2 4.35Å; I170-I207 HydrophobicContact CG1-CG2 4.12Å; C204-I207 HydrophobicContact CB-CB 4.17Å; C204-I207 HydrophobicContact CB-CD1 3.94Å; C204-I207 HydrophobicContact CB-CG1 4.19Å; C204-I207 WeakPolarHBondContact O-CB 3.41Å; C204-I207 PolarHBondContact O-N 2.85Å; P205-I207 VanDerWaalsContact C-N 3.27Å; P205-I207 PolarHBondContact O-N 2.86Å; I207-F211 WeakPolarHBondContact O-CB 3.36Å; I207-F211 PolarHBondContact O-N 3.28Å
208	V	98.7	Very high	97.1	Very high	9 Å²	9	96.2 Å²	96.2	6%	0.055	44%	0.439	C	S	.	.	H	α-helix	trans	-65.3	-48.8	176.4	179.6	0	0	0	0	110.9	I170 F182 A200 N201 C204 P205 R210 F211 Y212	I170-V208 HydrophobicContact CD1-CB 4.31Å; I170-V208 HydrophobicContact CD1-CG2 3.9Å; F182-V208 HydrophobicContact CE2-CG1 3.91Å; F182-V208 HydrophobicContact CE2-CG2 4.03Å; F182-V208 HydrophobicContact CZ-CG1 3.88Å; A200-V208 HydrophobicContact CB-CG2 3.96Å; N201-V208 WeakPolarHBondContact OD1-CG1 3.44Å; C204-V208 PolarHBondContact O-N 3.35Å; P205-V208 WeakPolarHBondContact O-CB 3.36Å; P205-V208 PolarHBondContact O-N 3.37Å; P205-V208 VanDerWaalsContact O-N 3.09Å; V208-R210 PolarHBondContact O-N 3.24Å; V208-F211 WeakPolarHBondContact O-CB 3.2Å; V208-F211 PolarHBondContact O-N 3.35Å; V208-Y212 HydrophobicContact CG1-CD2 3.89Å; V208-Y212 HydrophobicContact CG1-CE2 3.62Å; V208-Y212 VanDerWaalsContact O-CD2 3.29Å; V208-Y212 WeakPolarHBondContact O-CD2 3.47Å; V208-Y212 PolarHBondContact O-N 3.49Å
209	I	98.5	Very high	96.6	Very high	75 Å²	75	94.5 Å²	94.5	39%	0.385	44%	0.44	S	S	.	.	H	α-helix	trans	-57.2	-52.3	178.2	-68.9	164.6	0	0	0	109.4	P205 F211 Y212 E213	P205-I209 VanDerWaalsContact O-CG1 3.29Å; P205-I209 WeakPolarHBondContact O-CG1 3.34Å; P205-I209 PolarHBondContact O-N 2.88Å; I209-F211 VanDerWaalsContact C-N 3.29Å; I209-F211 PolarHBondContact O-N 3.24Å; I209-Y212 PolarHBondContact O-N 3.41Å; I209-E213 HydrophobicContact CG2-CG 4.08Å; I209-E213 WeakPolarHBondContact O-CG 3.49Å; I209-E213 PolarHBondContact O-N 3.49Å
210	R	98	Very high	95.8	Very high	157 Å²	157	97.4 Å²	97.4	59%	0.592	46%	0.462	S	S	*	.	H	α-helix	trans	-55.7	-41.3	178.2	-177.6	177.2	175.9	166.4	7.2	113.1	Q206 V208 Y212 E213 E214	Q206-R210 WeakPolarHBondContact O-CB 3.27Å; Q206-R210 PolarHBondContact O-N 3.41Å; V208-R210 PolarHBondContact O-N 3.24Å; R210-Y212 VanDerWaalsContact C-N 3.3Å; R210-Y212 PolarHBondContact O-N 2.92Å; R210-E213 PolarHBondContact O-N 3.5Å; R210-E214 HydrophobicContact CG-CG 4.35Å; R210-E214 WeakPolarHBondContact CG-OE1 3.41Å; R210-E214 IonicContact CZ-OE1 2.77Å; R210-E214 IonicContact NE-OE1 2.69Å; R210-E214 PolarHBondContact NE-OE1 2.98Å; R210-E214 IonicContact NH2-OE1 2.76Å; R210-E214 PolarHBondContact NH2-OE1 2.8Å; R210-E214 WeakPolarHBondContact O-CB 3.49Å; R210-E214 VanDerWaalsContact O-CG 3.3Å; R210-E214 WeakPolarHBondContact O-CG 3.47Å; R210-E214 PolarHBondContact O-N 3.01Å
211	F	98.4	Very high	95.1	Very high	12 Å²	12	103.2 Å²	103.2	5%	0.053	50%	0.5	C	S	.	.	H	α-helix	trans	-59.9	-40.2	177.4	166	-96.2	0	0	0	112.6	I170 A173 F182 I207 V208 I209 R215	I170-F211 HydrophobicContact CB-CB 3.97Å; I170-F211 HydrophobicContact CB-CD2 3.63Å; I170-F211 HydrophobicContact CB-CE2 4.27Å; I170-F211 HydrophobicContact CB-CG 3.82Å; I170-F211 HydrophobicContact CD1-CB 4.08Å; I170-F211 HydrophobicContact CD1-CG 4.29Å; I170-F211 HydrophobicContact CG2-CB 4.47Å; I170-F211 HydrophobicContact CG2-CD1 4.21Å; I170-F211 HydrophobicContact CG2-CD2 3.43Å; I170-F211 VanDerWaalsContact CG2-CD2 3.43Å; I170-F211 HydrophobicContact CG2-CE1 4.33Å; I170-F211 HydrophobicContact CG2-CE2 3.55Å; I170-F211 HydrophobicContact CG2-CG 3.78Å; I170-F211 HydrophobicContact CG2-CZ 4.02Å; A173-F211 HydrophobicContact CB-CE1 4.01Å; A173-F211 HydrophobicContact CB-CZ 3.88Å; F182-F211 HydrophobicContact CD1-CE1 4.39Å; F182-F211 HydrophobicContact CE1-CD1 4.12Å; F182-F211 AromaticContact CE1-CE1 3.94Å; F182-F211 HydrophobicContact CE1-CE1 3.94Å; I207-F211 WeakPolarHBondContact O-CB 3.36Å; I207-F211 PolarHBondContact O-N 3.28Å; V208-F211 WeakPolarHBondContact O-CB 3.2Å; V208-F211 PolarHBondContact O-N 3.35Å; I209-F211 VanDerWaalsContact C-N 3.29Å; I209-F211 PolarHBondContact O-N 3.24Å; F211-R215 VanDerWaalsContact CD2-NH1 3.3Å; F211-R215 VanDerWaalsContact CE2-NE 3.27Å
212	Y	98.2	Very high	94	Very high	103 Å²	103	107.5 Å²	107.5	40%	0.404	52%	0.517	S	S	.	.	H	α-helix	trans	-75.5	-42.1	177.1	-74	-59.2	0	0	0	112.5	L180 F182 V208 I209 R210 E214 R215 L216	L180-Y212 WeakPolarHBondContact CD2-OH 3.46Å; F182-Y212 HydrophobicContact CE1-CE2 4.43Å; F182-Y212 AromaticContact CZ-CE2 3.93Å; F182-Y212 HydrophobicContact CZ-CE2 3.93Å; F182-Y212 AromaticContact CZ-CZ 3.9Å; F182-Y212 WeakPolarHBondContact CZ-OH 3.3Å; V208-Y212 HydrophobicContact CG1-CD2 3.89Å; V208-Y212 HydrophobicContact CG1-CE2 3.62Å; V208-Y212 VanDerWaalsContact O-CD2 3.29Å; V208-Y212 WeakPolarHBondContact O-CD2 3.47Å; V208-Y212 PolarHBondContact O-N 3.49Å; I209-Y212 PolarHBondContact O-N 3.41Å; R210-Y212 VanDerWaalsContact C-N 3.3Å; R210-Y212 PolarHBondContact O-N 2.92Å; Y212-E214 VanDerWaalsContact C-N 3.31Å; Y212-E214 PolarHBondContact O-N 3.35Å; Y212-R215 CarbonylContact O-C 3.43Å; Y212-R215 PolarHBondContact O-N 3.19Å; Y212-L216 PolarHBondContact O-N 3.41Å
213	E	96.6	Very high	92.4	Very high	133 Å²	133	108.1 Å²	108.1	62%	0.621	52%	0.522	S	S	*	.	H	α-helix	trans	-57.2	-44.4	176.1	-73.1	-179.1	162.2	0	0	111.7	I209 R210 R215 L216	I209-E213 HydrophobicContact CG2-CG 4.08Å; I209-E213 WeakPolarHBondContact O-CG 3.49Å; I209-E213 PolarHBondContact O-N 3.49Å; R210-E213 PolarHBondContact O-N 3.5Å; E213-R215 PolarHBondContact O-N 2.88Å; E213-L216 PolarHBondContact O-N 3.02Å
214	E	95.8	Very high	90.8	Very high	121 Å²	121	112.6 Å²	112.6	57%	0.565	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.9	177.2	-72.7	176.7	-176.3	0	0	113.4	R210 Y212	R210-E214 HydrophobicContact CG-CG 4.35Å; R210-E214 WeakPolarHBondContact CG-OE1 3.41Å; R210-E214 IonicContact CZ-OE1 2.77Å; R210-E214 IonicContact NE-OE1 2.69Å; R210-E214 PolarHBondContact NE-OE1 2.98Å; R210-E214 IonicContact NH2-OE1 2.76Å; R210-E214 PolarHBondContact NH2-OE1 2.8Å; R210-E214 WeakPolarHBondContact O-CB 3.49Å; R210-E214 VanDerWaalsContact O-CG 3.3Å; R210-E214 WeakPolarHBondContact O-CG 3.47Å; R210-E214 PolarHBondContact O-N 3.01Å; Y212-E214 VanDerWaalsContact C-N 3.31Å; Y212-E214 PolarHBondContact O-N 3.35Å
215	R	93.6	Very high	89.3	Confident	116 Å²	116	117.6 Å²	117.6	44%	0.438	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.3	-0.6	-177.2	-74	172.6	171.7	68.8	-1.6	113.6	I171 F211 Y212 E213 T217	I171-R215 PolarHBondContact O-NH2 3.05Å; F211-R215 VanDerWaalsContact CD2-NH1 3.3Å; F211-R215 VanDerWaalsContact CE2-NE 3.27Å; Y212-R215 CarbonylContact O-C 3.43Å; Y212-R215 PolarHBondContact O-N 3.19Å; E213-R215 PolarHBondContact O-N 2.88Å; R215-T217 PolarHBondContact O-N 3.06Å
216	L	94.8	Very high	87.5	Confident	112 Å²	112	121 Å²	121	59%	0.586	59%	0.593	S	S	*	*			trans	-66.6	122	-176.3	-169.5	67.6	0	0	0	109.2	Y212 E213 W218	Y212-L216 PolarHBondContact O-N 3.41Å; E213-L216 PolarHBondContact O-N 3.02Å; L216-W218 HydrophobicContact CD2-CZ2 3.93Å
217	T	91.8	Very high	85.4	Confident	101 Å²	101	117.3 Å²	117.3	62%	0.62	59%	0.593	S	S	*	*			trans	-126.9	137.5	178.2	50.6	0	0	0	0	109.4	R215	R215-T217 PolarHBondContact O-N 3.06Å
218	W	92.2	Very high	83.6	Confident	221 Å²	221	122 Å²	122	84%	0.837	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-99.8	123.1	178.7	-61	99.9	0	0	0	109.3	L216	L216-W218 HydrophobicContact CD2-CZ2 3.93Å
219	H	87.5	Confident	81.7	Confident	169 Å²	169	127.2 Å²	127.2	78%	0.782	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-93.8	117.7	170.7	-66.7	-69.6	0	0	0	109.3
220	T	82	Confident	79.5	Confident	127 Å²	127	135.7 Å²	135.7	78%	0.779	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-71.6	127.3	165.1	48.4	0	0	0	0	108.3	E222	T220-E222 PolarHBondContact O-N 3.36Å
221	P	82.7	Confident	77.9	Confident	122 Å²	122	133.8 Å²	133.8	79%	0.792	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-60.6	118.4	174.9	25.4	-32.2	0	0	0	108.3	N223	P221-N223 PolarHBondContact O-N 3.06Å
222	E	75.4	Confident	76.3	Confident	169 Å²	169	136 Å²	136	79%	0.79	72%	0.722	S	S	*	*			trans	-64.3	112.6	175.8	-158.9	170.4	-149	0	0	107.4	T220 R224	T220-E222 PolarHBondContact O-N 3.36Å; E222-R224 PolarHBondContact O-N 2.77Å
223	N	65.8	Low	74.6	Confident	156 Å²	156	137.2 Å²	137.2	83%	0.834	74%	0.742	S	S	*	*			trans	-68.5	84.3	176	-159.8	23.3	0	0	0	107	P221 P225	P221-N223 PolarHBondContact O-N 3.06Å; N223-P225 WeakPolarHBondContact O-CD 3.15Å; N223-P225 VanDerWaalsContact O-N 3.09Å
224	R	63.3	Low	73.1	Confident	210 Å²	210	137.5 Å²	137.5	79%	0.792	75%	0.753	S	S	*	*			trans	-59.1	115.6	179.4	-75	-171.7	-173.6	-173.7	3.5	107.6	E222 S226	E222-R224 PolarHBondContact O-N 2.77Å; R224-S226 PolarHBondContact O-N 2.99Å
225	P	65.9	Low	71.8	Confident	120 Å²	120	137.7 Å²	137.7	78%	0.779	76%	0.763	S	S	*	*			trans	-63.9	112.1	170.5	25.9	-30.5	0	0	0	107.5	N223 G227	N223-P225 WeakPolarHBondContact O-CD 3.15Å; N223-P225 VanDerWaalsContact O-N 3.09Å; P225-G227 VanDerWaalsContact C-N 3.27Å; P225-G227 PolarHBondContact O-N 2.87Å
226	S	60.8	Low	70.6	Confident	128 Å²	128	138.3 Å²	138.3	90%	0.895	78%	0.782	S	S	*	*	S	Bend	trans	-63.3	88.8	168.2	54	0	0	0	0	108.6	R224	R224-S226 PolarHBondContact O-N 2.99Å
227	G	54.9	Low	69.3	Low	65 Å²	65	138.8 Å²	138.8	67%	0.67	80%	0.795	S	S	*	*			trans	164.8	68.7	178.2	0	0	0	0	0	115.5	P225	P225-G227 VanDerWaalsContact C-N 3.27Å; P225-G227 PolarHBondContact O-N 2.87Å
228	T	60.7	Low	67.6	Low	136 Å²	136	138.4 Å²	138.4	83%	0.834	80%	0.802	S	S	*	*			trans	-115.8	114.8	151.7	52.7	0	0	0	0	108.4
229	P	58	Low	66.1	Low	119 Å²	119	132.7 Å²	132.7	77%	0.773	80%	0.802	S	S	*	*			trans	-70	142	174.5	29.6	-30.7	0	0	0	109.6	S231	P229-S231 PolarHBondContact O-N 2.99Å
230	R	53.3	Low	64.4	Low	253 Å²	253	131 Å²	131	96%	0.955	80%	0.804	S	S	*	*			trans	-44.1	104.5	171.4	-91.2	161.2	62.2	-159.1	3.2	111.3
231	S	64	Low	63.4	Low	117 Å²	117	129.8 Å²	129.8	82%	0.818	81%	0.806	S	S	*	*			trans	-90.7	124.2	154.6	53.8	0	0	0	0	108.3	P229	P229-S231 PolarHBondContact O-N 2.99Å
232	G	64.8	Low	62	Low	57 Å²	57	128.5 Å²	128.5	59%	0.588	81%	0.806	S	S	*	*			trans	-68	-173.2	-163.2	0	0	0	0	0	117.5	T234	G232-T234 PolarHBondContact O-N 3.38Å
233	P	63.9	Low	61.4	Low	129 Å²	129	125.3 Å²	125.3	84%	0.838	81%	0.809	S	S	*	*			trans	-70.2	113.1	-173.5	28.6	-32.2	0	0	0	110.6	T235	P233-T235 PolarHBondContact O-N 3.19Å
234	T	63.3	Low	61	Low	139 Å²	139	129.4 Å²	129.4	85%	0.853	81%	0.812	S	S	*	*			trans	-78.6	108.8	165.5	-6	0	0	0	0	108.4	G232	G232-T234 PolarHBondContact O-N 3.38Å
235	T	69.8	Low	60.9	Low	125 Å²	125	129.8 Å²	129.8	77%	0.767	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-61.4	138.5	171.3	27.4	0	0	0	0	111.1	P233 S237	P233-T235 PolarHBondContact O-N 3.19Å; T235-S237 PolarHBondContact O-N 3.29Å
236	P	67.8	Low	60.6	Low	130 Å²	130	130.3 Å²	130.3	84%	0.844	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-73.2	116.3	169.6	28.7	-30.1	0	0	0	109.3
237	S	68.7	Low	60.6	Low	122 Å²	122	130.4 Å²	130.4	85%	0.853	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-77.3	125.3	169.6	-172.7	0	0	0	0	109.4	T235 A239	T235-S237 PolarHBondContact O-N 3.29Å; S237-A239 PolarHBondContact O-N 3.46Å
238	A	55.1	Low	61	Low	93 Å²	93	134.1 Å²	134.1	77%	0.769	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-66.7	122.6	-177.9	0	0	0	0	0	111.8
239	A	60	Low	61	Low	101 Å²	101	133.9 Å²	133.9	84%	0.835	85%	0.849	S	S	*	*			trans	-94.5	108	165.1	0	0	0	0	0	109.3	S237 A241	S237-A239 PolarHBondContact O-N 3.46Å; A239-A241 PolarHBondContact O-N 3.47Å
240	T	53.1	Low	61.2	Low	133 Å²	133	134.9 Å²	134.9	82%	0.816	85%	0.854	S	S	*	*			trans	-62.7	119.5	169.3	-63.6	0	0	0	0	110.5
241	A	59.6	Low	61.7	Low	101 Å²	101	127 Å²	127	84%	0.835	85%	0.847	S	S	*	*			trans	-98.2	110.1	163.9	0	0	0	0	0	109	A239	A239-A241 PolarHBondContact O-N 3.47Å
242	A	54.3	Low	61.5	Low	95 Å²	95	127.7 Å²	127.7	79%	0.785	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-86.1	117.2	167	0	0	0	0	0	108.9
243	A	63.3	Low	61.3	Low	103 Å²	103	133.2 Å²	133.2	85%	0.851	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-92.7	122.3	165.8	0	0	0	0	0	108.9
244	R	56.2	Low	61.1	Low	241 Å²	241	133.5 Å²	133.5	91%	0.909	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-91.3	126.7	161.6	-79.3	173.1	142.9	-156.7	-4.8	107.7
245	T	61.6	Low	60.9	Low	219 Å²	219	133 Å²	133	100%	1.344	87%	0.873	S	S	*	*			trans	-165.9	0	135.5	-61.4	0	0	0	0	106.9

Retrieved 245 of 245 residues in 490.8 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).