A0A061ILJ5_CRIGR Loading...

Insulin gene enhancer protein ISL-1

AlphaFold DB (P61371), UniProt , Accession A0A061ILJ5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Isl1, Length 349 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	47.2	Very low	54	Low	257 Å²	257	149 Å²	149	100%	1.266	82%	0.817	S	S	*	*				0	135	0	-68.3	175.5	176	0	0	107.1
2	G	51.7	Low	54.1	Low	79 Å²	79	155.2 Å²	155.2	81%	0.814	82%	0.819	S	S	*	*			trans	121.1	81.2	-174.4	0	0	0	0	0	111.6
3	D	52.5	Low	55	Low	160 Å²	160	156.6 Å²	156.6	86%	0.856	83%	0.826	S	S	*	*			trans	-71	128.3	178.4	-175.3	30	0	0	0	110.8	G5	D3-G5 PolarHBondContact O-N 3.15Å
4	M	63.4	Low	56.7	Low	183 Å²	183	152.6 Å²	152.6	90%	0.901	80%	0.804	S	S	*	*			trans	-88.9	99.7	176.5	-77	-150.8	-170.5	0	0	110	D6	M4-D6 PolarHBondContact O-N 3.47Å; M4-D6 VanDerWaalsContact O-N 3.16Å
5	G	54.9	Low	58.6	Low	67 Å²	67	143.7 Å²	143.7	69%	0.691	76%	0.759	S	S	*	*			trans	-58.7	113.7	179	0	0	0	0	0	113.6	D3	D3-G5 PolarHBondContact O-N 3.15Å
6	D	57.8	Low	60.6	Low	110 Å²	110	140.5 Å²	140.5	59%	0.588	74%	0.742	S	S	*	*			trans	-60.4	125.3	174.3	-168.4	-3.4	0	0	0	110.3	M4 K9	M4-D6 PolarHBondContact O-N 3.47Å; M4-D6 VanDerWaalsContact O-N 3.16Å; D6-K9 VanDerWaalsContact OD2-CE 3.24Å; D6-K9 WeakPolarHBondContact OD2-CE 3.35Å; D6-K9 IonicContact OD2-NZ 3.51Å; D6-K9 PolarHBondContact OD2-NZ 3.12Å
7	P	58.7	Low	62.4	Low	96 Å²	96	132.3 Å²	132.3	62%	0.623	70%	0.699	S	S	*	*			trans	-62.3	151.4	-178.1	24.6	-34.6	0	0	0	112.2	K9	P7-K9 PolarHBondContact O-N 2.82Å
8	P	54.4	Low	63.9	Low	123 Å²	123	128.8 Å²	128.8	80%	0.799	68%	0.684	S	S	*	*			trans	-61.2	111.2	-170.4	23.8	-34.2	0	0	0	111.5	K10	P8-K10 PolarHBondContact O-N 2.85Å
9	K	50.2	Low	65.1	Low	164 Å²	164	124.4 Å²	124.4	71%	0.713	67%	0.672	S	S	*	*			trans	-56.4	95.8	174.8	-74.1	167.7	-178.4	147.6	0	109.5	D6 P7 K11	D6-K9 VanDerWaalsContact OD2-CE 3.24Å; D6-K9 WeakPolarHBondContact OD2-CE 3.35Å; D6-K9 IonicContact OD2-NZ 3.51Å; D6-K9 PolarHBondContact OD2-NZ 3.12Å; P7-K9 PolarHBondContact O-N 2.82Å; K9-K11 PolarHBondContact O-N 2.93Å
10	K	54.3	Low	66.4	Low	193 Å²	193	120.8 Å²	120.8	84%	0.839	66%	0.656	S	S	*	*			trans	-47.4	115.4	172.6	-70.6	177.3	179.3	174.5	0	107.6	P8 R12	P8-K10 PolarHBondContact O-N 2.85Å; K10-R12 PolarHBondContact O-N 3.35Å
11	K	48.6	Very low	67.6	Low	207 Å²	207	117.6 Å²	117.6	90%	0.9	65%	0.651	S	S	*	*			trans	-54.4	105.1	-179.5	-70.8	-179.9	178.6	178.5	0	107.9	K9 L13	K9-K11 PolarHBondContact O-N 2.93Å; K11-L13 PolarHBondContact O-N 3.04Å; K11-L13 VanDerWaalsContact O-N 3.15Å
12	R	55.5	Low	69.7	Low	223 Å²	223	110.4 Å²	110.4	84%	0.842	62%	0.617	S	S	*	*			trans	-60.6	120.6	173.4	-64.7	-171.9	-177.5	-158.2	2.1	105.9	K10 I14	K10-R12 PolarHBondContact O-N 3.35Å; R12-I14 PolarHBondContact O-N 2.97Å
13	L	66.4	Low	71.6	Confident	174 Å²	174	110.1 Å²	110.1	91%	0.911	60%	0.595	S	S	*	*			trans	-63.4	106.5	168.3	-80.1	153.6	0	0	0	106.4	K11 S15	K11-L13 PolarHBondContact O-N 3.04Å; K11-L13 VanDerWaalsContact O-N 3.15Å; L13-S15 PolarHBondContact O-N 3.35Å
14	I	77.9	Confident	73.3	Confident	100 Å²	100	103 Å²	103	51%	0.513	56%	0.557	S	S	.	*			trans	-77.1	104.7	-179.5	-66.1	175.6	0	0	0	106.8	R12 L16 Q23	R12-I14 PolarHBondContact O-N 2.97Å; I14-L16 HydrophobicContact CG2-CD2 3.64Å; I14-L16 HydrophobicContact CG2-CG 4.03Å; I14-L16 PolarHBondContact O-N 3.46Å; I14-Q23 HydrophobicContact CG2-CB 4.22Å; I14-Q23 HydrophobicContact CG2-CG 3.84Å
15	S	85.7	Confident	74.4	Confident	19 Å²	19	101 Å²	101	13%	0.133	55%	0.545	C	S	.	.			trans	-67.1	121.2	168.5	-79	0	0	0	0	110	L13 Q23 I24 E37	L13-S15 PolarHBondContact O-N 3.35Å; S15-Q23 CarbonylContact O-C 3.45Å; S15-Q23 WeakPolarHBondContact O-CA 3.32Å; S15-I24 PolarHBondContact O-N 2.75Å; S15-E37 WeakPolarHBondContact CA-OE2 3.35Å; S15-E37 WeakPolarHBondContact CB-OE2 3.19Å; S15-E37 VanDerWaalsContact OG-CD 3.3Å; S15-E37 PolarHBondContact OG-OE1 2.83Å; S15-E37 PolarHBondContact OG-OE2 2.98Å
16	L	90.7	Very high	75.8	Confident	93 Å²	93	100.8 Å²	100.8	49%	0.487	53%	0.528	S	S	.	.	B	Isolated β-bridge	trans	-112.8	131.9	179.4	-66	177.6	0	0	0	109.7	I14 V18 Q23	I14-L16 HydrophobicContact CG2-CD2 3.64Å; I14-L16 HydrophobicContact CG2-CG 4.03Å; I14-L16 PolarHBondContact O-N 3.46Å; L16-V18 PolarHBondContact O-N 2.88Å; L16-Q23 HydrophobicContact CD2-CB 4.31Å
17	C	91.6	Very high	77	Confident	1 Å²	1	101.2 Å²	101.2	1%	0.007	53%	0.526	C	S	.	.			trans	-74.3	119.1	178.1	-179.9	0	0	0	0	110.9	G19 C20 G21 N22 I24 E37 H39 C42	C17-G19 PolarHBondContact O-N 3.36Å; C17-G19 PolarHBondContact SG-N 3.25Å; C17-G19 VanDerWaalsContact SG-N 3.43Å; C17-C20 PolarHBondContact O-N 3.46Å; C17-G21 WeakPolarHBondContact O-CA 3.44Å; C17-G21 PolarHBondContact O-N 2.69Å; C17-N22 PolarHBondContact N-O 3.16Å; C17-I24 HydrophobicContact CB-CD1 4.1Å; C17-I24 HydrophobicContact CB-CG1 3.82Å; C17-E37 WeakPolarHBondContact CA-O 3.48Å; C17-H39 WeakPolarHBondContact CB-CE1 3.45Å; C17-H39 WeakPolarHBondContact CB-ND1 3.24Å; C17-H39 PolarHBondContact SG-N 2.97Å; C17-H39 PolarHBondContact SG-ND1 3.44Å; C17-C42 WeakPolarHBondContact SG-CB 3.34Å; C17-C42 VanDerWaalsContact SG-SG 3.68Å
18	V	89.5	Confident	78.1	Confident	70 Å²	70	102.5 Å²	102.5	42%	0.424	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.3	177.1	178.3	0	0	0	0	111.9	L16 L36 E37 W38	L16-V18 PolarHBondContact O-N 2.88Å; V18-L36 HydrophobicContact CG1-CD2 4.5Å; V18-L36 HydrophobicContact CG2-CB 4.11Å; V18-L36 HydrophobicContact CG2-CD2 3.99Å; V18-E37 PolarHBondContact N-O 3.01Å; V18-W38 HydrophobicContact CB-CD2 4.21Å; V18-W38 HydrophobicContact CB-CH2 4Å; V18-W38 HydrophobicContact CB-CZ2 3.69Å; V18-W38 HydrophobicContact CB-CZ3 4.41Å; V18-W38 HydrophobicContact CG1-CH2 3.74Å; V18-W38 HydrophobicContact CG1-CZ2 3.56Å
19	G	86.6	Confident	79.6	Confident	44 Å²	44	97 Å²	97	45%	0.454	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-26.5	-178.7	0	0	0	0	0	115.9	C17	C17-G19 PolarHBondContact O-N 3.36Å; C17-G19 PolarHBondContact SG-N 3.25Å; C17-G19 VanDerWaalsContact SG-N 3.43Å
20	C	91.3	Very high	81.3	Confident	53 Å²	53	89.8 Å²	89.8	36%	0.358	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136	-0.4	-176	79.2	0	0	0	0	115.1	C17 N22 H39	C17-C20 PolarHBondContact O-N 3.46Å; C20-N22 PolarHBondContact O-N 2.93Å; C20-N22 VanDerWaalsContact O-N 3.11Å; C20-H39 PolarHBondContact SG-CE1 3.27Å
21	G	89.7	Confident	82.9	Confident	53 Å²	53	83.7 Å²	83.7	55%	0.546	42%	0.424	S	S	.	.	S	Bend	trans	74.8	-13	179.3	0	0	0	0	0	115.9	C17	C17-G21 WeakPolarHBondContact O-CA 3.44Å; C17-G21 PolarHBondContact O-N 2.69Å
22	N	91.4	Very high	84.6	Confident	106 Å²	106	73.8 Å²	73.8	57%	0.567	38%	0.381	S	S	*	.	S	Bend	trans	-84	159.1	-174.7	-61.8	-45.4	0	0	0	112.7	C17 C20 H39	C17-N22 PolarHBondContact N-O 3.16Å; C20-N22 PolarHBondContact O-N 2.93Å; C20-N22 VanDerWaalsContact O-N 3.11Å; N22-H39 VanDerWaalsContact CB-CE1 3.41Å; N22-H39 WeakPolarHBondContact CB-CE1 3.33Å; N22-H39 PolarHBondContact O-CE1 3.32Å; N22-H39 VanDerWaalsContact O-CE1 3.27Å
23	Q	92.1	Very high	85.8	Confident	73 Å²	73	66 Å²	66	34%	0.341	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-63.7	137.2	174.2	-177.9	169.4	1.4	0	0	112.1	I14 S15 L16 H25 H39	I14-Q23 HydrophobicContact CG2-CB 4.22Å; I14-Q23 HydrophobicContact CG2-CG 3.84Å; S15-Q23 CarbonylContact O-C 3.45Å; S15-Q23 WeakPolarHBondContact O-CA 3.32Å; L16-Q23 HydrophobicContact CD2-CB 4.31Å; Q23-H25 WeakPolarHBondContact CG-NE2 3.46Å; Q23-H25 PolarHBondContact NE2-CE1 3.16Å; Q23-H39 PolarHBondContact O-NE2 2.86Å
24	I	88.5	Confident	86.4	Confident	10 Å²	10	62.4 Å²	62.4	5%	0.051	35%	0.348	C	S	.	.			trans	-85	114.4	175.6	-53.4	175.7	0	0	0	108.8	S15 C17 D26 I29 E37 H39	S15-I24 PolarHBondContact O-N 2.75Å; C17-I24 HydrophobicContact CB-CD1 4.1Å; C17-I24 HydrophobicContact CB-CG1 3.82Å; I24-D26 HydrophobicContact CG2-CB 4.07Å; I24-I29 HydrophobicContact CB-CD1 4.33Å; I24-I29 HydrophobicContact CD1-CG2 3.85Å; I24-I29 HydrophobicContact CG2-CD1 3.95Å; I24-I29 HydrophobicContact CG2-CG1 3.78Å; I24-I29 HydrophobicContact CG2-CG2 4.41Å; I24-E37 HydrophobicContact CD1-CB 3.75Å; I24-H39 WeakPolarHBondContact CA-NE2 3.3Å; I24-H39 PolarHBondContact N-NE2 3.44Å
25	H	87.1	Confident	86.5	Confident	142 Å²	142	64.5 Å²	64.5	66%	0.657	36%	0.36	S	S	*	.			trans	-111.1	-0.2	173.7	-64.4	-76.6	0	0	0	112.6	Q23	Q23-H25 WeakPolarHBondContact CG-NE2 3.46Å; Q23-H25 PolarHBondContact NE2-CE1 3.16Å
26	D	84.2	Confident	86.5	Confident	63 Å²	63	66 Å²	66	34%	0.337	37%	0.366	S	S	.	.	S	Bend	trans	-57.5	149.8	179.2	-63.9	3	0	0	0	111.6	I24 Y28 H39	I24-D26 HydrophobicContact CG2-CB 4.07Å; D26-Y28 WeakPolarHBondContact CB-O 3.29Å; D26-Y28 PolarHBondContact O-N 3.03Å; D26-H39 IonicContact OD1-CD2 2.7Å; D26-H39 PolarHBondContact OD1-CD2 3.41Å; D26-H39 WeakPolarHBondContact OD2-CA 3.42Å; D26-H39 WeakPolarHBondContact OD2-CB 3.46Å; D26-H39 IonicContact OD2-CD2 3.08Å; D26-H39 PolarHBondContact OD2-CD2 3.3Å; D26-H39 IonicContact OD2-CG 2.7Å
27	Q	83.3	Confident	86.5	Confident	118 Å²	118	62.9 Å²	62.9	55%	0.551	35%	0.35	S	S	*	.	S	Bend	trans	-59.9	-34.7	174.2	-178.8	178.6	3.7	0	0	111.9	Q288	Q27-Q288 PolarHBondContact O-NE2 3.17Å; Q27-Q288 PolarHBondContact O-OE1 2.99Å
28	Y	81.9	Confident	86.5	Confident	123 Å²	123	63.2 Å²	63.2	48%	0.482	35%	0.351	S	S	.	.	S	Bend	trans	-121.1	132.5	-179.2	-58.5	-94.6	0	0	0	109.5	D26 Q288	D26-Y28 WeakPolarHBondContact CB-O 3.29Å; D26-Y28 PolarHBondContact O-N 3.03Å; Y28-Q288 HydrophobicContact CD1-CG 4.31Å; Y28-Q288 HydrophobicContact CE1-CG 4.15Å
29	I	85.6	Confident	86.6	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.041	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.6	175.7	-51.5	-169.6	0	0	0	108.7	I24 E37 Y287	I24-I29 HydrophobicContact CB-CD1 4.33Å; I24-I29 HydrophobicContact CD1-CG2 3.85Å; I24-I29 HydrophobicContact CG2-CD1 3.95Å; I24-I29 HydrophobicContact CG2-CG1 3.78Å; I24-I29 HydrophobicContact CG2-CG2 4.41Å; I29-E37 HydrophobicContact CG2-CB 4.06Å; I29-E37 HydrophobicContact CG2-CG 4.33Å; I29-Y287 PolarHBondContact N-O 3.19Å; I29-Y287 PolarHBondContact O-N 3.32Å
30	L	86.5	Confident	86.7	Confident	12 Å²	12	61 Å²	61	6%	0.063	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121	172.9	-61.4	-177.9	0	0	0	109.7	E37 W38 A40 L43 D53 V284	L30-E37 WeakPolarHBondContact O-CA 3.4Å; L30-W38 HydrophobicContact CB-CB 4.46Å; L30-W38 PolarHBondContact N-O 2.98Å; L30-W38 VanDerWaalsContact N-O 3.16Å; L30-W38 PolarHBondContact O-N 2.68Å; L30-A40 HydrophobicContact CD1-CB 4.29Å; L30-L43 HydrophobicContact CB-CD2 4.25Å; L30-L43 HydrophobicContact CD1-CB 3.95Å; L30-L43 HydrophobicContact CD1-CD2 3.72Å; L30-L43 HydrophobicContact CD1-CG 4.48Å; L30-D53 HydrophobicContact CD1-CB 3.69Å; L30-V284 HydrophobicContact CB-CG1 4.43Å; L30-V284 HydrophobicContact CD2-CG1 4.36Å
31	R	87.1	Confident	86.6	Confident	65 Å²	65	61.4 Å²	61.4	25%	0.245	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130	176.3	-64.5	-176	175	-69.2	-19.6	109.8	L36 E37 V284 Q285	R31-L36 WeakPolarHBondContact CA-O 3.37Å; R31-E37 IonicContact CZ-OE1 2.68Å; R31-E37 IonicContact NH1-OE1 3.38Å; R31-E37 PolarHBondContact NH1-OE1 3.17Å; R31-E37 IonicContact NH2-OE1 3.46Å; R31-E37 PolarHBondContact NH2-OE1 2.92Å; R31-V284 WeakPolarHBondContact O-CA 3.15Å; R31-Q285 PolarHBondContact N-O 3.47Å; R31-Q285 PolarHBondContact O-N 3.06Å
32	V	84.4	Confident	86.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	113.2	-179.4	172.9	0	0	0	0	107.2	P34 L36 L43 V60 V282 V284	V32-P34 CarbonylContact O-C 3.56Å; V32-L36 HydrophobicContact CB-CB 4.16Å; V32-L36 HydrophobicContact CG1-CD1 4.4Å; V32-L36 PolarHBondContact N-O 3.31Å; V32-L36 WeakPolarHBondContact O-CB 3.48Å; V32-L36 PolarHBondContact O-N 3.46Å; V32-L43 HydrophobicContact CG2-CD1 3.72Å; V32-L43 HydrophobicContact CG2-CD2 4.03Å; V32-V60 HydrophobicContact CG1-CG2 3.56Å; V32-V282 HydrophobicContact CB-CG1 4.31Å; V32-V282 HydrophobicContact CG1-CB 4.12Å; V32-V282 HydrophobicContact CG1-CG1 3.42Å; V32-V282 VanDerWaalsContact CG1-CG1 3.42Å; V32-V284 HydrophobicContact CG2-CG2 4.31Å
33	S	80.2	Confident	86.5	Confident	59 Å²	59	55.2 Å²	55.2	41%	0.413	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	142.1	-167.6	-37.7	0	0	0	0	115.1	V282	S33-V282 WeakPolarHBondContact O-CG1 3.39Å
34	P	78.3	Confident	86.6	Confident	99 Å²	99	55.9 Å²	55.9	64%	0.643	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	cis	-81.9	133.7	-12.7	33.1	-30.8	0	0	0	111	V32 L36	V32-P34 CarbonylContact O-C 3.56Å; P34-L36 VanDerWaalsContact C-N 3.25Å; P34-L36 PolarHBondContact O-N 3.41Å
35	D	79.9	Confident	86.8	Confident	143 Å²	143	55.4 Å²	55.4	77%	0.765	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	15.3	158.8	-45	-43.7	0	0	0	118.4
36	L	87.7	Confident	87.1	Confident	50 Å²	50	51 Å²	51	26%	0.262	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.5	172.7	-55.2	175.8	0	0	0	110.5	V18 R31 V32 P34 V60	V18-L36 HydrophobicContact CG1-CD2 4.5Å; V18-L36 HydrophobicContact CG2-CB 4.11Å; V18-L36 HydrophobicContact CG2-CD2 3.99Å; R31-L36 WeakPolarHBondContact CA-O 3.37Å; V32-L36 HydrophobicContact CB-CB 4.16Å; V32-L36 HydrophobicContact CG1-CD1 4.4Å; V32-L36 PolarHBondContact N-O 3.31Å; V32-L36 WeakPolarHBondContact O-CB 3.48Å; V32-L36 PolarHBondContact O-N 3.46Å; P34-L36 VanDerWaalsContact C-N 3.25Å; P34-L36 PolarHBondContact O-N 3.41Å; L36-V60 HydrophobicContact CD1-CG1 4.02Å; L36-V60 HydrophobicContact CD1-CG2 4.22Å
37	E	90.5	Very high	87.6	Confident	29 Å²	29	51.9 Å²	51.9	14%	0.136	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.7	180	-61	-179.5	155.6	0	0	111.6	S15 C17 V18 I24 I29 L30 R31	S15-E37 WeakPolarHBondContact CA-OE2 3.35Å; S15-E37 WeakPolarHBondContact CB-OE2 3.19Å; S15-E37 VanDerWaalsContact OG-CD 3.3Å; S15-E37 PolarHBondContact OG-OE1 2.83Å; S15-E37 PolarHBondContact OG-OE2 2.98Å; C17-E37 WeakPolarHBondContact CA-O 3.48Å; V18-E37 PolarHBondContact N-O 3.01Å; I24-E37 HydrophobicContact CD1-CB 3.75Å; I29-E37 HydrophobicContact CG2-CB 4.06Å; I29-E37 HydrophobicContact CG2-CG 4.33Å; L30-E37 WeakPolarHBondContact O-CA 3.4Å; R31-E37 IonicContact CZ-OE1 2.68Å; R31-E37 IonicContact NH1-OE1 3.38Å; R31-E37 PolarHBondContact NH1-OE1 3.17Å; R31-E37 IonicContact NH2-OE1 3.46Å; R31-E37 PolarHBondContact NH2-OE1 2.92Å
38	W	90.6	Very high	88.1	Confident	8 Å²	8	48.4 Å²	48.4	3%	0.03	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143	-176	-54.5	75.7	0	0	0	111.3	V18 L30 C42 L43 T65	V18-W38 HydrophobicContact CB-CD2 4.21Å; V18-W38 HydrophobicContact CB-CH2 4Å; V18-W38 HydrophobicContact CB-CZ2 3.69Å; V18-W38 HydrophobicContact CB-CZ3 4.41Å; V18-W38 HydrophobicContact CG1-CH2 3.74Å; V18-W38 HydrophobicContact CG1-CZ2 3.56Å; L30-W38 HydrophobicContact CB-CB 4.46Å; L30-W38 PolarHBondContact N-O 2.98Å; L30-W38 VanDerWaalsContact N-O 3.16Å; L30-W38 PolarHBondContact O-N 2.68Å; W38-C42 HydrophobicContact CE3-CB 4.36Å; W38-L43 HydrophobicContact CB-CB 4Å; W38-L43 HydrophobicContact CB-CD1 4.17Å; W38-L43 HydrophobicContact CD2-CD1 3.56Å; W38-L43 HydrophobicContact CE3-CD1 4.06Å; W38-L43 HydrophobicContact CG-CB 4.31Å; W38-L43 HydrophobicContact CG-CD1 3.58Å; W38-L43 HydrophobicContact CG-CG 4.49Å; W38-T65 HydrophobicContact CH2-CG2 3.6Å; W38-T65 HydrophobicContact CZ2-CG2 3.56Å; W38-T65 HydrophobicContact CZ3-CG2 4.24Å
39	H	91.2	Very high	88.6	Confident	30 Å²	30	47.2 Å²	47.2	14%	0.139	27%	0.273	C	S	.	.			trans	-61.1	149.2	156.9	-55.7	109.9	0	0	0	109.2	C17 C20 N22 Q23 I24 D26 A41 C42 L43	C17-H39 WeakPolarHBondContact CB-CE1 3.45Å; C17-H39 WeakPolarHBondContact CB-ND1 3.24Å; C17-H39 PolarHBondContact SG-N 2.97Å; C17-H39 PolarHBondContact SG-ND1 3.44Å; C20-H39 PolarHBondContact SG-CE1 3.27Å; N22-H39 VanDerWaalsContact CB-CE1 3.41Å; N22-H39 WeakPolarHBondContact CB-CE1 3.33Å; N22-H39 PolarHBondContact O-CE1 3.32Å; N22-H39 VanDerWaalsContact O-CE1 3.27Å; Q23-H39 PolarHBondContact O-NE2 2.86Å; I24-H39 WeakPolarHBondContact CA-NE2 3.3Å; I24-H39 PolarHBondContact N-NE2 3.44Å; D26-H39 IonicContact OD1-CD2 2.7Å; D26-H39 PolarHBondContact OD1-CD2 3.41Å; D26-H39 WeakPolarHBondContact OD2-CA 3.42Å; D26-H39 WeakPolarHBondContact OD2-CB 3.46Å; D26-H39 IonicContact OD2-CD2 3.08Å; D26-H39 PolarHBondContact OD2-CD2 3.3Å; D26-H39 IonicContact OD2-CG 2.7Å; H39-A41 VanDerWaalsContact C-N 3.27Å; H39-A41 PolarHBondContact O-N 3.27Å; H39-C42 HydrophobicContact CB-CB 4.01Å; H39-C42 PolarHBondContact O-N 3.09Å; H39-L43 PolarHBondContact O-N 2.88Å
40	A	88.8	Confident	88.9	Confident	37 Å²	37	51.4 Å²	51.4	31%	0.306	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-55.6	-44.9	174.8	0	0	0	0	0	111.6	L30 C42 L43	L30-A40 HydrophobicContact CD1-CB 4.29Å; A40-C42 PolarHBondContact O-N 2.83Å; A40-L43 PolarHBondContact O-N 2.62Å
41	A	88.9	Confident	89.1	Confident	61 Å²	61	56.5 Å²	56.5	50%	0.504	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-67	-14.5	177.1	0	0	0	0	0	114.9	H39	H39-A41 VanDerWaalsContact C-N 3.27Å; H39-A41 PolarHBondContact O-N 3.27Å
42	C	90.1	Very high	89.1	Confident	29 Å²	29	53.5 Å²	53.5	20%	0.196	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-96.5	-23.9	179.4	-74.4	0	0	0	0	113.1	C17 W38 H39 A40 K44	C17-C42 WeakPolarHBondContact SG-CB 3.34Å; C17-C42 VanDerWaalsContact SG-SG 3.68Å; W38-C42 HydrophobicContact CE3-CB 4.36Å; H39-C42 HydrophobicContact CB-CB 4.01Å; H39-C42 PolarHBondContact O-N 3.09Å; A40-C42 PolarHBondContact O-N 2.83Å; C42-K44 VanDerWaalsContact C-N 3.31Å; C42-K44 PolarHBondContact O-N 3.36Å
43	L	90.4	Very high	88.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.318	C	S	.	.			trans	-81.8	75.7	179.8	-166.1	75.6	0	0	0	111.3	L30 V32 W38 H39 A40 L52 T65 V284	L30-L43 HydrophobicContact CB-CD2 4.25Å; L30-L43 HydrophobicContact CD1-CB 3.95Å; L30-L43 HydrophobicContact CD1-CD2 3.72Å; L30-L43 HydrophobicContact CD1-CG 4.48Å; V32-L43 HydrophobicContact CG2-CD1 3.72Å; V32-L43 HydrophobicContact CG2-CD2 4.03Å; W38-L43 HydrophobicContact CB-CB 4Å; W38-L43 HydrophobicContact CB-CD1 4.17Å; W38-L43 HydrophobicContact CD2-CD1 3.56Å; W38-L43 HydrophobicContact CE3-CD1 4.06Å; W38-L43 HydrophobicContact CG-CB 4.31Å; W38-L43 HydrophobicContact CG-CD1 3.58Å; W38-L43 HydrophobicContact CG-CG 4.49Å; H39-L43 PolarHBondContact O-N 2.88Å; A40-L43 PolarHBondContact O-N 2.62Å; L43-L52 HydrophobicContact CD2-CB 4.13Å; L43-L52 HydrophobicContact CG-CB 4.06Å; L43-L52 PolarHBondContact O-N 3.21Å; L43-T65 HydrophobicContact CD1-CG2 4Å; L43-V284 HydrophobicContact CD2-CG1 3.63Å; L43-V284 HydrophobicContact CD2-CG2 4.18Å
44	K	92.6	Very high	88.8	Confident	88 Å²	88	61.7 Å²	61.7	38%	0.383	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-126	148.6	-179.6	68.7	-168	176.8	-168.9	0	112.3	C42 A46 Q50 Y51 T65	C42-K44 VanDerWaalsContact C-N 3.31Å; C42-K44 PolarHBondContact O-N 3.36Å; K44-A46 PolarHBondContact O-N 3.02Å; K44-Q50 CarbonylContact C-O 3.51Å; K44-Q50 VanDerWaalsContact CA-O 3.31Å; K44-Q50 WeakPolarHBondContact CA-O 3.47Å; K44-Y51 HydrophobicContact CB-CD1 4.18Å; K44-T65 PolarHBondContact O-OG1 3.35Å
45	C	93.9	Very high	88.5	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.			trans	-62.8	125.2	176.2	-179.5	0	0	0	0	111.1	E47 C48 N49 Q50 L52 T65 C67	C45-E47 PolarHBondContact O-N 2.83Å; C45-C48 VanDerWaalsContact CB-SG 3.5Å; C45-C48 VanDerWaalsContact SG-SG 3.65Å; C45-N49 WeakPolarHBondContact O-CA 3.23Å; C45-N49 PolarHBondContact O-N 2.81Å; C45-Q50 PolarHBondContact N-O 2.8Å; C45-L52 HydrophobicContact CB-CD1 4.39Å; C45-L52 HydrophobicContact CB-CD2 4.26Å; C45-L52 HydrophobicContact CB-CG 4.48Å; C45-T65 CarbonylContact C-O 3.58Å; C45-T65 WeakPolarHBondContact CA-O 3.36Å; C45-C67 HydrophobicContact CB-CB 4.02Å; C45-C67 PolarHBondContact SG-N 2.94Å
46	A	93.4	Very high	88.2	Confident	48 Å²	48	56.4 Å²	56.4	40%	0.397	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17	-180	0	0	0	0	0	115	K44 K64 T65 Y66	K44-A46 PolarHBondContact O-N 3.02Å; A46-K64 HydrophobicContact CB-CB 4.15Å; A46-K64 HydrophobicContact CB-CD 4.38Å; A46-K64 HydrophobicContact CB-CG 4.46Å; A46-T65 PolarHBondContact N-O 3.02Å; A46-Y66 HydrophobicContact CB-CE1 4.2Å
47	E	94.1	Very high	88	Confident	83 Å²	83	56.5 Å²	56.5	39%	0.388	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-58.1	-179.6	-65.3	-76.8	126.6	0	0	112.3	C45 Y66 D70 R73 L74	C45-E47 PolarHBondContact O-N 2.83Å; E47-Y66 HydrophobicContact CG-CD1 3.86Å; E47-Y66 HydrophobicContact CG-CE1 3.75Å; E47-D70 HydrophobicContact CB-CB 3.97Å; E47-D70 HydrophobicContact CG-CB 4.08Å; E47-R73 IonicContact OE2-CZ 2.68Å; E47-R73 IonicContact OE2-NH1 2.93Å; E47-R73 IonicContact OE2-NH2 3.24Å; E47-R73 PolarHBondContact OE2-NH2 3.23Å; E47-L74 HydrophobicContact CG-CD1 3.71Å
48	C	94.2	Very high	88	Confident	45 Å²	45	55.1 Å²	55.1	30%	0.304	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-2.2	-174.7	66.4	0	0	0	0	114.3	C45 Q50 D70	C45-C48 VanDerWaalsContact CB-SG 3.5Å; C45-C48 VanDerWaalsContact SG-SG 3.65Å; C48-Q50 PolarHBondContact O-N 2.78Å; C48-Q50 VanDerWaalsContact SG-CB 3.56Å; C48-D70 PolarHBondContact SG-OD2 2.86Å; C48-D70 VanDerWaalsContact SG-OD2 3.36Å
49	N	92.8	Very high	87.9	Confident	98 Å²	98	54.7 Å²	54.7	52%	0.524	31%	0.305	S	S	.	.			trans	56.1	8.9	-174.6	-66.4	-73.6	0	0	0	116.2	C45 Y51	C45-N49 WeakPolarHBondContact O-CA 3.23Å; C45-N49 PolarHBondContact O-N 2.81Å; N49-Y51 PolarHBondContact O-N 3Å
50	Q	90.7	Very high	87.9	Confident	96 Å²	96	55 Å²	55	45%	0.449	31%	0.308	S	S	.	.			trans	-63.8	133.7	173.1	-169.1	-175.6	-2.8	0	0	110.3	K44 C45 C48	K44-Q50 CarbonylContact C-O 3.51Å; K44-Q50 VanDerWaalsContact CA-O 3.31Å; K44-Q50 WeakPolarHBondContact CA-O 3.47Å; C45-Q50 PolarHBondContact N-O 2.8Å; C48-Q50 PolarHBondContact O-N 2.78Å; C48-Q50 VanDerWaalsContact SG-CB 3.56Å
51	Y	90.8	Very high	87.8	Confident	119 Å²	119	56.6 Å²	56.6	47%	0.467	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-61.4	143.7	170.4	-60.8	-70.2	0	0	0	110.8	K44 N49 D53	K44-Y51 HydrophobicContact CB-CD1 4.18Å; N49-Y51 PolarHBondContact O-N 3Å; Y51-D53 VanDerWaalsContact CB-OD1 3.24Å; Y51-D53 WeakPolarHBondContact CB-OD1 3.36Å
52	L	88.6	Confident	87.7	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	32%	0.317	C	S	.	.	S	Bend	trans	-110.9	11.4	-173.6	-61.1	166.8	0	0	0	112.2	L43 C45 S55 C58 C67	L43-L52 HydrophobicContact CD2-CB 4.13Å; L43-L52 HydrophobicContact CG-CB 4.06Å; L43-L52 PolarHBondContact O-N 3.21Å; C45-L52 HydrophobicContact CB-CD1 4.39Å; C45-L52 HydrophobicContact CB-CD2 4.26Å; C45-L52 HydrophobicContact CB-CG 4.48Å; L52-S55 WeakPolarHBondContact CA-OG 3.42Å; L52-S55 CarbonylContact O-C 3.6Å; L52-S55 PolarHBondContact O-OG 3Å; L52-S55 VanDerWaalsContact O-OG 3.1Å; L52-C58 HydrophobicContact CB-CB 4.27Å; L52-C58 HydrophobicContact CD1-CB 3.95Å; L52-C58 HydrophobicContact CG-CB 4.5Å; L52-C67 HydrophobicContact CD2-CB 3.64Å
53	D	80.3	Confident	87.3	Confident	69 Å²	69	61.4 Å²	61.4	37%	0.369	34%	0.335	S	S	.	.	S	Bend	trans	-73.6	-42.4	176	57.1	-16.8	0	0	0	112.3	L30 Y51 S55	L30-D53 HydrophobicContact CD1-CB 3.69Å; Y51-D53 VanDerWaalsContact CB-OD1 3.24Å; Y51-D53 WeakPolarHBondContact CB-OD1 3.36Å; D53-S55 PolarHBondContact O-N 3.29Å
54	E	76.1	Confident	87.2	Confident	162 Å²	162	67 Å²	67	76%	0.757	36%	0.36	S	S	*	.	S	Bend	trans	-61.7	-33.6	170.7	-64.5	-178.4	167.8	0	0	112.1	C56	E54-C56 PolarHBondContact O-N 2.92Å
55	S	72	Confident	87.1	Confident	43 Å²	43	63.1 Å²	63.1	30%	0.301	34%	0.343	S	S	.	.	S	Bend	trans	-90.1	99.7	179.3	64.2	0	0	0	0	110.7	L52 D53 T57	L52-S55 WeakPolarHBondContact CA-OG 3.42Å; L52-S55 CarbonylContact O-C 3.6Å; L52-S55 PolarHBondContact O-OG 3Å; L52-S55 VanDerWaalsContact O-OG 3.1Å; D53-S55 PolarHBondContact O-N 3.29Å; S55-T57 CarbonylContact O-C 3.57Å; S55-T57 PolarHBondContact O-N 3.34Å
56	C	75.5	Confident	87.1	Confident	88 Å²	88	63.4 Å²	63.4	60%	0.595	34%	0.344	S	S	*	.	S	Bend	trans	-56.5	-1.8	178.8	-44	0	0	0	0	115.4	E54 E283 V284	E54-C56 PolarHBondContact O-N 2.92Å; C56-E283 WeakPolarHBondContact O-CA 3.27Å; C56-V284 PolarHBondContact O-N 3.32Å
57	T	82.9	Confident	87	Confident	52 Å²	52	61.6 Å²	61.6	32%	0.319	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	129.8	167.1	65.7	0	0	0	0	112.8	S55 P281 V282	S55-T57 CarbonylContact O-C 3.57Å; S55-T57 PolarHBondContact O-N 3.34Å; T57-P281 HydrophobicContact CG2-CB 4.13Å; T57-V282 CarbonylContact C-O 3.58Å; T57-V282 WeakPolarHBondContact CA-O 3.48Å
58	C	89.5	Confident	86.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	177	168.1	70.2	0	0	0	0	111.6	L52 V282 V284	L52-C58 HydrophobicContact CB-CB 4.27Å; L52-C58 HydrophobicContact CD1-CB 3.95Å; L52-C58 HydrophobicContact CG-CB 4.5Å; C58-V282 PolarHBondContact N-O 2.94Å; C58-V282 PolarHBondContact O-N 3.41Å; C58-V284 HydrophobicContact CB-CG2 4.17Å
59	F	90.2	Very high	86.4	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.8	171.6	-67.1	-94.1	0	0	0	109.9	T65 Y66 K68 Y71 L277 P281	F59-T65 CarbonylContact O-C 3.59Å; F59-T65 WeakPolarHBondContact O-CA 3.36Å; F59-Y66 PolarHBondContact N-O 2.8Å; F59-Y66 PolarHBondContact O-N 2.95Å; F59-K68 HydrophobicContact CD2-CB 4.5Å; F59-K68 HydrophobicContact CE2-CB 3.87Å; F59-K68 HydrophobicContact CE2-CG 3.85Å; F59-K68 HydrophobicContact CZ-CG 4.44Å; F59-Y71 HydrophobicContact CB-CD1 4.27Å; F59-Y71 HydrophobicContact CB-CD2 3.29Å; F59-Y71 HydrophobicContact CB-CE2 3.84Å; F59-Y71 HydrophobicContact CB-CG 3.54Å; F59-Y71 AromaticContact CD1-CD1 3.65Å; F59-Y71 HydrophobicContact CD1-CD1 3.65Å; F59-Y71 HydrophobicContact CD1-CD2 4.11Å; F59-Y71 AromaticContact CD1-CE1 3.8Å; F59-Y71 HydrophobicContact CD1-CE1 3.8Å; F59-Y71 HydrophobicContact CD1-CE2 4.22Å; F59-Y71 AromaticContact CD1-CG 3.82Å; F59-Y71 HydrophobicContact CD1-CG 3.82Å; F59-Y71 HydrophobicContact CD2-CD1 4.33Å; F59-Y71 HydrophobicContact CD2-CG 4.01Å; F59-Y71 HydrophobicContact CE1-CD1 4.04Å; F59-Y71 HydrophobicContact CE1-CE1 4.21Å; F59-Y71 AromaticContact CG-CD1 3.81Å; F59-Y71 HydrophobicContact CG-CD1 3.81Å; F59-Y71 AromaticContact CG-CD2 3.78Å; F59-Y71 HydrophobicContact CG-CD2 3.78Å; F59-Y71 HydrophobicContact CG-CE1 4.35Å; F59-Y71 HydrophobicContact CG-CE2 4.3Å; F59-Y71 AromaticContact CG-CG 3.5Å; F59-Y71 HydrophobicContact CG-CG 3.5Å; F59-Y71 VanDerWaalsContact CG-CG 3.5Å; F59-L277 HydrophobicContact CE1-CB 4.2Å; F59-L277 HydrophobicContact CE1-CD1 3.81Å; F59-L277 HydrophobicContact CE1-CD2 3.78Å; F59-L277 HydrophobicContact CE1-CG 4.15Å; F59-L277 HydrophobicContact CZ-CD1 3.72Å; F59-L277 HydrophobicContact CZ-CD2 3.87Å; F59-L277 HydrophobicContact CZ-CG 4.35Å; F59-P281 HydrophobicContact CE1-CB 3.97Å; F59-P281 HydrophobicContact CE2-CB 4.28Å; F59-P281 HydrophobicContact CZ-CB 3.71Å; F59-P281 HydrophobicContact CZ-CG 4.41Å
60	V	89.8	Confident	86.4	Confident	35 Å²	35	62.6 Å²	62.6	21%	0.212	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.7	176.1	-166.6	0	0	0	0	109.1	V32 L36 K64 T65 V282	V32-V60 HydrophobicContact CG1-CG2 3.56Å; L36-V60 HydrophobicContact CD1-CG1 4.02Å; L36-V60 HydrophobicContact CD1-CG2 4.22Å; V60-K64 WeakPolarHBondContact CA-O 3.45Å; V60-T65 HydrophobicContact CG2-CG2 4.29Å; V60-V282 HydrophobicContact CG2-CG2 4.21Å
61	R	88.1	Confident	86.4	Confident	72 Å²	72	58.1 Å²	58.1	27%	0.272	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	131.1	173.8	-165	176.1	-175.3	138.8	7.7	109.2	G63 K64 Y66 Y71	R61-G63 PolarHBondContact O-N 2.7Å; R61-K64 PolarHBondContact N-O 2.8Å; R61-K64 PolarHBondContact O-N 3.15Å; R61-K64 VanDerWaalsContact O-O 3.13Å; R61-Y66 HydrophobicContact CB-CE2 4.27Å; R61-Y71 HydrophobicContact CB-CE2 4.33Å
62	D	85.1	Confident	86.2	Confident	134 Å²	134	55.2 Å²	55.2	72%	0.717	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	40.9	176.9	-46.1	-35.1	0	0	0	113.3	K64	D62-K64 PolarHBondContact O-N 2.85Å
63	G	82.3	Confident	86.2	Confident	56 Å²	56	60.7 Å²	60.7	58%	0.577	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-9	-176.8	0	0	0	0	0	115.6	R61	R61-G63 PolarHBondContact O-N 2.7Å
64	K	88.4	Confident	86.6	Confident	119 Å²	119	60.1 Å²	60.1	52%	0.517	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	145.6	-179.7	-64.9	175.1	-177.9	179.7	0	111.4	A46 V60 R61 D62 Y66	A46-K64 HydrophobicContact CB-CB 4.15Å; A46-K64 HydrophobicContact CB-CD 4.38Å; A46-K64 HydrophobicContact CB-CG 4.46Å; V60-K64 WeakPolarHBondContact CA-O 3.45Å; R61-K64 PolarHBondContact N-O 2.8Å; R61-K64 PolarHBondContact O-N 3.15Å; R61-K64 VanDerWaalsContact O-O 3.13Å; D62-K64 PolarHBondContact O-N 2.85Å; K64-Y66 HydrophobicContact CB-CD2 4.43Å; K64-Y66 HydrophobicContact CB-CE2 3.55Å; K64-Y66 WeakPolarHBondContact CD-OH 3.33Å
65	T	91.4	Very high	87.2	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141.5	175.5	55.9	0	0	0	0	110.6	W38 L43 K44 C45 A46 F59 V60	W38-T65 HydrophobicContact CH2-CG2 3.6Å; W38-T65 HydrophobicContact CZ2-CG2 3.56Å; W38-T65 HydrophobicContact CZ3-CG2 4.24Å; L43-T65 HydrophobicContact CD1-CG2 4Å; K44-T65 PolarHBondContact O-OG1 3.35Å; C45-T65 CarbonylContact C-O 3.58Å; C45-T65 WeakPolarHBondContact CA-O 3.36Å; A46-T65 PolarHBondContact N-O 3.02Å; F59-T65 CarbonylContact O-C 3.59Å; F59-T65 WeakPolarHBondContact O-CA 3.36Å; V60-T65 HydrophobicContact CG2-CG2 4.29Å
66	Y	92.4	Very high	87.9	Confident	6 Å²	6	54 Å²	54	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.3	-175.4	-63.5	-90.3	0	0	0	110.8	A46 E47 F59 R61 K64 Y71 L74 Y75	A46-Y66 HydrophobicContact CB-CE1 4.2Å; E47-Y66 HydrophobicContact CG-CD1 3.86Å; E47-Y66 HydrophobicContact CG-CE1 3.75Å; F59-Y66 PolarHBondContact N-O 2.8Å; F59-Y66 PolarHBondContact O-N 2.95Å; R61-Y66 HydrophobicContact CB-CE2 4.27Å; K64-Y66 HydrophobicContact CB-CD2 4.43Å; K64-Y66 HydrophobicContact CB-CE2 3.55Å; K64-Y66 WeakPolarHBondContact CD-OH 3.33Å; Y66-Y71 HydrophobicContact CD2-CD2 4.48Å; Y66-L74 HydrophobicContact CD1-CD1 4Å; Y66-L74 HydrophobicContact CE1-CD1 3.6Å; Y66-Y75 HydrophobicContact CD1-CE2 4.39Å; Y66-Y75 HydrophobicContact CD2-CE2 4.25Å; Y66-Y75 HydrophobicContact CE1-CE2 4.06Å; Y66-Y75 AromaticContact CE2-CE2 3.91Å; Y66-Y75 HydrophobicContact CE2-CE2 3.91Å; Y66-Y75 HydrophobicContact CG-CE2 4.48Å; Y66-Y75 AromaticContact CZ-CE2 3.83Å; Y66-Y75 PolarHBondContact OH-OH 2.87Å; Y66-Y75 VanDerWaalsContact OH-OH 3.1Å
67	C	91.9	Very high	88.5	Confident	10 Å²	10	52.4 Å²	52.4	7%	0.068	26%	0.259	C	S	.	.			trans	-67.7	157.6	165.8	88	0	0	0	0	109.6	C45 L52 R69 D70 Y71	C45-C67 HydrophobicContact CB-CB 4.02Å; C45-C67 PolarHBondContact SG-N 2.94Å; L52-C67 HydrophobicContact CD2-CB 3.64Å; C67-R69 VanDerWaalsContact C-N 3.26Å; C67-R69 PolarHBondContact O-N 3.43Å; C67-D70 PolarHBondContact O-N 3.48Å; C67-D70 PolarHBondContact SG-N 2.68Å; C67-D70 VanDerWaalsContact SG-N 3.36Å; C67-D70 PolarHBondContact SG-OD2 3.29Å; C67-Y71 WeakPolarHBondContact O-CB 3.42Å; C67-Y71 PolarHBondContact O-N 3.5Å
68	K	87.9	Confident	89	Confident	78 Å²	78	54.3 Å²	54.3	34%	0.339	26%	0.263	S	S	.	.	H	α-helix	trans	-55.7	-38.5	-179.1	-173.2	168	-162	140.3	0	113.8	F59 I72	F59-K68 HydrophobicContact CD2-CB 4.5Å; F59-K68 HydrophobicContact CE2-CB 3.87Å; F59-K68 HydrophobicContact CE2-CG 3.85Å; F59-K68 HydrophobicContact CZ-CG 4.44Å; K68-I72 HydrophobicContact CG-CD1 3.97Å; K68-I72 WeakPolarHBondContact O-CD1 3.47Å; K68-I72 VanDerWaalsContact O-CG1 3.23Å; K68-I72 WeakPolarHBondContact O-CG1 3.24Å; K68-I72 PolarHBondContact O-N 3.23Å; K68-I72 VanDerWaalsContact O-N 3.16Å
69	R	88.7	Confident	89.2	Confident	161 Å²	161	54.4 Å²	54.4	61%	0.608	26%	0.263	S	S	*	.	H	α-helix	trans	-64.8	-51	-179.9	179.1	-176.8	65.1	-164.6	-4.7	110.9	C67 I72 R73	C67-R69 VanDerWaalsContact C-N 3.26Å; C67-R69 PolarHBondContact O-N 3.43Å; R69-I72 PolarHBondContact O-N 3.39Å; R69-R73 WeakPolarHBondContact O-CB 3.41Å; R69-R73 PolarHBondContact O-N 3.1Å
70	D	91.5	Very high	89.4	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.043	28%	0.282	C	S	.	.	H	α-helix	trans	-73.2	-35.5	-177	-69.4	-55.6	0	0	0	112.4	E47 C48 C67 I72 R73 L74	E47-D70 HydrophobicContact CB-CB 3.97Å; E47-D70 HydrophobicContact CG-CB 4.08Å; C48-D70 PolarHBondContact SG-OD2 2.86Å; C48-D70 VanDerWaalsContact SG-OD2 3.36Å; C67-D70 PolarHBondContact O-N 3.48Å; C67-D70 PolarHBondContact SG-N 2.68Å; C67-D70 VanDerWaalsContact SG-N 3.36Å; C67-D70 PolarHBondContact SG-OD2 3.29Å; D70-I72 PolarHBondContact O-N 2.97Å; D70-R73 PolarHBondContact O-N 3.19Å; D70-R73 IonicContact OD1-CZ 2.72Å; D70-R73 VanDerWaalsContact OD1-CZ 3.24Å; D70-R73 IonicContact OD1-NE 3.76Å; D70-R73 PolarHBondContact OD1-NE 2.84Å; D70-R73 IonicContact OD1-NH2 3.67Å; D70-R73 PolarHBondContact OD1-NH2 3.49Å; D70-L74 WeakPolarHBondContact O-CB 3.11Å; D70-L74 WeakPolarHBondContact O-CG 3.42Å; D70-L74 PolarHBondContact O-N 3.16Å
71	Y	91	Very high	89.6	Confident	1 Å²	1	60.3 Å²	60.3	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-44.3	171.8	-172.8	-88.9	0	0	0	112.1	F59 R61 Y66 C67 Y75 G76 L277 A279	F59-Y71 HydrophobicContact CB-CD1 4.27Å; F59-Y71 HydrophobicContact CB-CD2 3.29Å; F59-Y71 HydrophobicContact CB-CE2 3.84Å; F59-Y71 HydrophobicContact CB-CG 3.54Å; F59-Y71 AromaticContact CD1-CD1 3.65Å; F59-Y71 HydrophobicContact CD1-CD1 3.65Å; F59-Y71 HydrophobicContact CD1-CD2 4.11Å; F59-Y71 AromaticContact CD1-CE1 3.8Å; F59-Y71 HydrophobicContact CD1-CE1 3.8Å; F59-Y71 HydrophobicContact CD1-CE2 4.22Å; F59-Y71 AromaticContact CD1-CG 3.82Å; F59-Y71 HydrophobicContact CD1-CG 3.82Å; F59-Y71 HydrophobicContact CD2-CD1 4.33Å; F59-Y71 HydrophobicContact CD2-CG 4.01Å; F59-Y71 HydrophobicContact CE1-CD1 4.04Å; F59-Y71 HydrophobicContact CE1-CE1 4.21Å; F59-Y71 AromaticContact CG-CD1 3.81Å; F59-Y71 HydrophobicContact CG-CD1 3.81Å; F59-Y71 AromaticContact CG-CD2 3.78Å; F59-Y71 HydrophobicContact CG-CD2 3.78Å; F59-Y71 HydrophobicContact CG-CE1 4.35Å; F59-Y71 HydrophobicContact CG-CE2 4.3Å; F59-Y71 AromaticContact CG-CG 3.5Å; F59-Y71 HydrophobicContact CG-CG 3.5Å; F59-Y71 VanDerWaalsContact CG-CG 3.5Å; R61-Y71 HydrophobicContact CB-CE2 4.33Å; Y66-Y71 HydrophobicContact CD2-CD2 4.48Å; C67-Y71 WeakPolarHBondContact O-CB 3.42Å; C67-Y71 PolarHBondContact O-N 3.5Å; Y71-Y75 AromaticContact CD2-CD2 3.61Å; Y71-Y75 HydrophobicContact CD2-CD2 3.61Å; Y71-Y75 HydrophobicContact CD2-CE2 4.32Å; Y71-Y75 HydrophobicContact CD2-CG 4.45Å; Y71-Y75 AromaticContact CE2-CD2 3.73Å; Y71-Y75 HydrophobicContact CE2-CD2 3.73Å; Y71-Y75 HydrophobicContact CE2-CG 4.21Å; Y71-Y75 HydrophobicContact CG-CD2 4.25Å; Y71-Y75 WeakPolarHBondContact O-CA 2.92Å; Y71-Y75 WeakPolarHBondContact O-CB 3.1Å; Y71-Y75 PolarHBondContact O-N 2.86Å; Y71-G76 PolarHBondContact O-N 3.18Å; Y71-L277 HydrophobicContact CD1-CD2 3.57Å; Y71-L277 HydrophobicContact CE1-CB 4.31Å; Y71-L277 HydrophobicContact CE1-CD2 3.72Å; Y71-A279 HydrophobicContact CE2-CB 4.39Å; Y71-A279 VanDerWaalsContact OH-CB 3.24Å; Y71-A279 WeakPolarHBondContact OH-CB 3.35Å; Y71-A279 PolarHBondContact OH-N 3.37Å
72	I	87.3	Confident	89.9	Confident	59 Å²	59	59.3 Å²	59.3	30%	0.303	30%	0.298	S	S	.	.	H	α-helix	trans	-66.6	-40.5	175.5	-67.6	166.6	0	0	0	110.9	K68 R69 D70 L74 G76 L277	K68-I72 HydrophobicContact CG-CD1 3.97Å; K68-I72 WeakPolarHBondContact O-CD1 3.47Å; K68-I72 VanDerWaalsContact O-CG1 3.23Å; K68-I72 WeakPolarHBondContact O-CG1 3.24Å; K68-I72 PolarHBondContact O-N 3.23Å; K68-I72 VanDerWaalsContact O-N 3.16Å; R69-I72 PolarHBondContact O-N 3.39Å; D70-I72 PolarHBondContact O-N 2.97Å; I72-L74 PolarHBondContact O-N 3.32Å; I72-G76 VanDerWaalsContact O-CA 3.24Å; I72-G76 WeakPolarHBondContact O-CA 3.38Å; I72-G76 PolarHBondContact O-N 3.36Å; I72-L277 HydrophobicContact CD1-CD2 4.36Å; I72-L277 HydrophobicContact CG1-CD2 3.68Å
73	R	87.1	Confident	90.3	Very high	116 Å²	116	56.9 Å²	56.9	44%	0.438	29%	0.292	S	S	.	.	H	α-helix	trans	-61.3	-42.7	178.8	179.6	178	60.4	79.2	-1.4	112.6	E47 R69 D70 K78	E47-R73 IonicContact OE2-CZ 2.68Å; E47-R73 IonicContact OE2-NH1 2.93Å; E47-R73 IonicContact OE2-NH2 3.24Å; E47-R73 PolarHBondContact OE2-NH2 3.23Å; R69-R73 WeakPolarHBondContact O-CB 3.41Å; R69-R73 PolarHBondContact O-N 3.1Å; D70-R73 PolarHBondContact O-N 3.19Å; D70-R73 IonicContact OD1-CZ 2.72Å; D70-R73 VanDerWaalsContact OD1-CZ 3.24Å; D70-R73 IonicContact OD1-NE 3.76Å; D70-R73 PolarHBondContact OD1-NE 2.84Å; D70-R73 IonicContact OD1-NH2 3.67Å; D70-R73 PolarHBondContact OD1-NH2 3.49Å; R73-K78 PolarHBondContact O-NZ 2.44Å
74	L	88.6	Confident	90.7	Very high	57 Å²	57	59.6 Å²	59.6	30%	0.298	29%	0.292	S	S	.	.	H	α-helix	trans	-84.7	-52.8	-177.9	-67.8	177.5	0	0	0	113	E47 Y66 D70 I72	E47-L74 HydrophobicContact CG-CD1 3.71Å; Y66-L74 HydrophobicContact CD1-CD1 4Å; Y66-L74 HydrophobicContact CE1-CD1 3.6Å; D70-L74 WeakPolarHBondContact O-CB 3.11Å; D70-L74 WeakPolarHBondContact O-CG 3.42Å; D70-L74 PolarHBondContact O-N 3.16Å; I72-L74 PolarHBondContact O-N 3.32Å
75	Y	89	Confident	90.8	Very high	63 Å²	63	55.1 Å²	55.1	25%	0.247	28%	0.28	C	S	.	.	H	α-helix	trans	-113.3	-3.7	-165.8	-54.3	-69	0	0	0	114.1	Y66 Y71	Y66-Y75 HydrophobicContact CD1-CE2 4.39Å; Y66-Y75 HydrophobicContact CD2-CE2 4.25Å; Y66-Y75 HydrophobicContact CE1-CE2 4.06Å; Y66-Y75 AromaticContact CE2-CE2 3.91Å; Y66-Y75 HydrophobicContact CE2-CE2 3.91Å; Y66-Y75 HydrophobicContact CG-CE2 4.48Å; Y66-Y75 AromaticContact CZ-CE2 3.83Å; Y66-Y75 PolarHBondContact OH-OH 2.87Å; Y66-Y75 VanDerWaalsContact OH-OH 3.1Å; Y71-Y75 AromaticContact CD2-CD2 3.61Å; Y71-Y75 HydrophobicContact CD2-CD2 3.61Å; Y71-Y75 HydrophobicContact CD2-CE2 4.32Å; Y71-Y75 HydrophobicContact CD2-CG 4.45Å; Y71-Y75 AromaticContact CE2-CD2 3.73Å; Y71-Y75 HydrophobicContact CE2-CD2 3.73Å; Y71-Y75 HydrophobicContact CE2-CG 4.21Å; Y71-Y75 HydrophobicContact CG-CD2 4.25Å; Y71-Y75 WeakPolarHBondContact O-CA 2.92Å; Y71-Y75 WeakPolarHBondContact O-CB 3.1Å; Y71-Y75 PolarHBondContact O-N 2.86Å
76	G	87.2	Confident	90.7	Very high	12 Å²	12	55.6 Å²	55.6	12%	0.124	28%	0.281	C	S	.	.	S	Bend	trans	-68	154.9	174	0	0	0	0	0	112	Y71 I72 K78	Y71-G76 PolarHBondContact O-N 3.18Å; I72-G76 VanDerWaalsContact O-CA 3.24Å; I72-G76 WeakPolarHBondContact O-CA 3.38Å; I72-G76 PolarHBondContact O-N 3.36Å; G76-K78 PolarHBondContact O-N 3.38Å
77	I	89.2	Confident	90.4	Very high	56 Å²	56	58.5 Å²	58.5	29%	0.287	30%	0.303	S	S	.	.			trans	-61.5	129.3	173.2	-55	176.3	0	0	0	108.6	F86 V99	I77-F86 HydrophobicContact CG2-CD2 4.38Å; I77-F86 HydrophobicContact CG2-CE2 4.1Å; I77-F86 WeakPolarHBondContact O-CD2 3.45Å; I77-V99 HydrophobicContact CG2-CB 4.03Å; I77-V99 HydrophobicContact CG2-CG2 3.91Å
78	K	92	Very high	89.8	Confident	92 Å²	92	65 Å²	65	40%	0.4	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-108.2	151.8	179.1	-67.3	166	-173.2	-75.7	0	110.1	R73 G76 A80 S83	R73-K78 PolarHBondContact O-NZ 2.44Å; G76-K78 PolarHBondContact O-N 3.38Å; K78-A80 PolarHBondContact O-N 2.95Å; K78-S83 WeakPolarHBondContact CG-O 3.21Å
79	C	94.6	Very high	89.7	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.014	35%	0.345	C	S	.	.			trans	-65.5	127.7	171.8	172.7	0	0	0	0	110.8	K81 C82 S83 I84 F86 V99 H101	C79-K81 PolarHBondContact O-N 3.1Å; C79-K81 PolarHBondContact SG-N 3.49Å; C79-K81 VanDerWaalsContact SG-N 3.35Å; C79-C82 VanDerWaalsContact CB-SG 3.52Å; C79-C82 VanDerWaalsContact SG-SG 3.69Å; C79-S83 VanDerWaalsContact O-CA 3.26Å; C79-S83 WeakPolarHBondContact O-CA 3.41Å; C79-S83 PolarHBondContact O-N 3.34Å; C79-I84 PolarHBondContact N-O 3.06Å; C79-F86 HydrophobicContact CB-CE1 4.18Å; C79-F86 HydrophobicContact CB-CE2 4.46Å; C79-F86 HydrophobicContact CB-CZ 3.7Å; C79-V99 CarbonylContact C-O 3.54Å; C79-V99 VanDerWaalsContact CA-O 3.31Å; C79-V99 WeakPolarHBondContact CA-O 3.23Å; C79-H101 VanDerWaalsContact CB-CE1 3.47Å; C79-H101 WeakPolarHBondContact CB-CE1 3.48Å; C79-H101 VanDerWaalsContact CB-ND1 3.27Å; C79-H101 WeakPolarHBondContact CB-ND1 3.24Å
80	A	93.7	Very high	89.7	Confident	49 Å²	49	62 Å²	62	41%	0.405	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	7	179.9	0	0	0	0	0	114.9	K78 K98 V99 Y100	K78-A80 PolarHBondContact O-N 2.95Å; A80-K98 HydrophobicContact CB-CB 3.81Å; A80-K98 HydrophobicContact CB-CD 3.96Å; A80-K98 HydrophobicContact CB-CG 3.94Å; A80-V99 PolarHBondContact N-O 3.35Å; A80-Y100 HydrophobicContact CB-CD1 4.36Å; A80-Y100 HydrophobicContact CB-CE1 3.77Å; A80-Y100 HydrophobicContact CB-CE2 4.33Å
81	K	94	Very high	89.8	Confident	110 Å²	110	66.1 Å²	66.1	48%	0.478	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-51.2	171.5	-176.6	176.6	179.4	176.9	0	112.6	C79 Y100 C104	C79-K81 PolarHBondContact O-N 3.1Å; C79-K81 PolarHBondContact SG-N 3.49Å; C79-K81 VanDerWaalsContact SG-N 3.35Å; K81-Y100 HydrophobicContact CB-CD1 4Å; K81-Y100 HydrophobicContact CB-CE1 4.16Å; K81-C104 HydrophobicContact CB-CB 4.06Å; K81-C104 HydrophobicContact CD-CB 4.03Å; K81-C104 WeakPolarHBondContact CD-O 3.4Å
82	C	94.7	Very high	90	Very high	50 Å²	50	66 Å²	66	34%	0.338	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-4.8	-175.7	68.5	0	0	0	0	114.4	C79 I84 H101	C79-C82 VanDerWaalsContact CB-SG 3.52Å; C79-C82 VanDerWaalsContact SG-SG 3.69Å; C82-I84 HydrophobicContact CB-CD1 4.49Å; C82-I84 HydrophobicContact CB-CG1 4.47Å; C82-I84 PolarHBondContact O-N 3.31Å; C82-H101 VanDerWaalsContact SG-CE1 3.58Å; C82-H101 PolarHBondContact SG-ND1 3.27Å
83	S	92.7	Very high	90.4	Very high	84 Å²	84	63.6 Å²	63.6	59%	0.587	33%	0.334	S	S	*	.			trans	60.4	4.1	-178.1	-60.6	0	0	0	0	116.4	K78 C79	K78-S83 WeakPolarHBondContact CG-O 3.21Å; C79-S83 VanDerWaalsContact O-CA 3.26Å; C79-S83 WeakPolarHBondContact O-CA 3.41Å; C79-S83 PolarHBondContact O-N 3.34Å
84	I	91.4	Very high	90.7	Very high	113 Å²	113	62.7 Å²	62.7	58%	0.579	33%	0.331	S	S	*	.			trans	-77.7	145.8	172.5	-56.5	172.8	0	0	0	109.3	C79 C82	C79-I84 PolarHBondContact N-O 3.06Å; C82-I84 HydrophobicContact CB-CD1 4.49Å; C82-I84 HydrophobicContact CB-CG1 4.47Å; C82-I84 PolarHBondContact O-N 3.31Å
85	G	89.9	Confident	90.9	Very high	25 Å²	25	60 Å²	60	26%	0.258	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-72	-176.5	175.2	0	0	0	0	0	113.8	H101	G85-H101 PolarHBondContact O-NE2 2.95Å; G85-H101 VanDerWaalsContact O-NE2 3.13Å
86	F	89.6	Confident	90.9	Very high	15 Å²	15	63.9 Å²	63.9	7%	0.066	33%	0.331	C	S	.	.			trans	-117.2	140.8	178.7	-58.9	-73.6	0	0	0	111.4	I77 C79 D90 V92 V99 H101 H273	I77-F86 HydrophobicContact CG2-CD2 4.38Å; I77-F86 HydrophobicContact CG2-CE2 4.1Å; I77-F86 WeakPolarHBondContact O-CD2 3.45Å; C79-F86 HydrophobicContact CB-CE1 4.18Å; C79-F86 HydrophobicContact CB-CE2 4.46Å; C79-F86 HydrophobicContact CB-CZ 3.7Å; F86-D90 WeakPolarHBondContact CA-OD2 3.38Å; F86-D90 HydrophobicContact CB-CB 4.42Å; F86-V92 HydrophobicContact CD1-CG1 3.33Å; F86-V92 HydrophobicContact CD2-CG1 4.37Å; F86-V92 HydrophobicContact CE1-CB 4.44Å; F86-V92 HydrophobicContact CE1-CG1 3.41Å; F86-V92 VanDerWaalsContact CE1-CG1 3.41Å; F86-V92 HydrophobicContact CE2-CG1 4.45Å; F86-V92 HydrophobicContact CG-CG1 3.85Å; F86-V92 HydrophobicContact CZ-CG1 4Å; F86-V99 HydrophobicContact CD2-CG1 4.45Å; F86-V99 HydrophobicContact CE2-CB 4.02Å; F86-V99 HydrophobicContact CE2-CG1 3.64Å; F86-V99 HydrophobicContact CZ-CB 4.2Å; F86-V99 HydrophobicContact CZ-CG1 3.67Å; F86-H101 AromaticContact CD1-CD2 3.5Å; F86-H101 AromaticContact CD1-CE1 3.99Å; F86-H101 AromaticContact CD1-NE2 3.37Å; F86-H101 WeakPolarHBondContact CD1-NE2 3.2Å; F86-H101 HydrophobicContact CE1-CB 4.39Å; F86-H101 AromaticContact CE1-CD2 3.44Å; F86-H101 VanDerWaalsContact CE1-CD2 3.44Å; F86-H101 WeakPolarHBondContact CE1-CD2 3.47Å; F86-H101 AromaticContact CE1-CE1 3.64Å; F86-H101 AromaticContact CE1-CG 3.62Å; F86-H101 AromaticContact CE1-ND1 3.75Å; F86-H101 AromaticContact CE1-NE2 3.44Å; F86-H101 WeakPolarHBondContact CE1-NE2 3.42Å; F86-H273 HydrophobicContact CB-CB 4.33Å; F86-H273 WeakPolarHBondContact CB-ND1 3.16Å
87	S	85.7	Confident	91	Very high	68 Å²	68	68.9 Å²	68.9	48%	0.476	36%	0.364	S	S	.	.			trans	-73.2	168.3	167.9	-166.7	0	0	0	0	111.6	N89 D90	S87-N89 PolarHBondContact O-N 2.98Å; S87-D90 VanDerWaalsContact CB-OD1 3.32Å; S87-D90 WeakPolarHBondContact CB-OD1 3.37Å; S87-D90 PolarHBondContact N-OD2 3.38Å; S87-D90 PolarHBondContact O-N 2.91Å
88	K	79.9	Confident	91.1	Very high	145 Å²	145	69.6 Å²	69.6	63%	0.63	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-23	177.7	-59.4	178.7	-172.1	167.8	0	113.7
89	N	85	Confident	91.2	Very high	125 Å²	125	65.6 Å²	65.6	67%	0.668	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-0.8	-175.9	-66.6	-20.9	0	0	0	112.4	S87	S87-N89 PolarHBondContact O-N 2.98Å
90	D	89.8	Confident	91.3	Very high	51 Å²	51	65.8 Å²	65.8	27%	0.273	35%	0.349	S	S	.	.			trans	-69.9	139.8	-178	-70.7	-3.4	0	0	0	110.5	F86 S87 H273	F86-D90 WeakPolarHBondContact CA-OD2 3.38Å; F86-D90 HydrophobicContact CB-CB 4.42Å; S87-D90 VanDerWaalsContact CB-OD1 3.32Å; S87-D90 WeakPolarHBondContact CB-OD1 3.37Å; S87-D90 PolarHBondContact N-OD2 3.38Å; S87-D90 PolarHBondContact O-N 2.91Å; D90-H273 PolarHBondContact O-N 3.46Å
91	F	93.5	Very high	91.4	Very high	95 Å²	95	65.1 Å²	65.1	42%	0.417	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	137.6	164.3	-71.2	-93.9	0	0	0	109.5	I102 P270 E271 R272	F91-I102 HydrophobicContact CB-CD1 3.53Å; F91-I102 HydrophobicContact CB-CG1 4.4Å; F91-P270 HydrophobicContact CB-CB 3.97Å; F91-P270 HydrophobicContact CD1-CB 4.31Å; F91-E271 CarbonylContact C-O 3.57Å; F91-E271 VanDerWaalsContact CA-O 3.26Å; F91-E271 WeakPolarHBondContact CA-O 3.25Å; F91-R272 HydrophobicContact CD1-CG 3.95Å; F91-R272 HydrophobicContact CE1-CG 3.54Å; F91-R272 HydrophobicContact CZ-CG 3.88Å
92	V	95	Very high	91.5	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.7	-173.4	-64.6	0	0	0	0	111.7	F86 V99 Y100 E271 H273	F86-V92 HydrophobicContact CD1-CG1 3.33Å; F86-V92 HydrophobicContact CD2-CG1 4.37Å; F86-V92 HydrophobicContact CE1-CB 4.44Å; F86-V92 HydrophobicContact CE1-CG1 3.41Å; F86-V92 VanDerWaalsContact CE1-CG1 3.41Å; F86-V92 HydrophobicContact CE2-CG1 4.45Å; F86-V92 HydrophobicContact CG-CG1 3.85Å; F86-V92 HydrophobicContact CZ-CG1 4Å; V92-V99 HydrophobicContact CB-CG1 3.66Å; V92-V99 HydrophobicContact CG1-CG1 4.05Å; V92-V99 HydrophobicContact CG2-CG1 3.84Å; V92-Y100 WeakPolarHBondContact CA-O 3.48Å; V92-E271 PolarHBondContact N-O 2.98Å; V92-E271 PolarHBondContact O-N 3.03Å; V92-H273 HydrophobicContact CG1-CB 3.84Å; V92-H273 HydrophobicContact CG2-CB 3.99Å
93	M	95.7	Very high	91.5	Very high	7 Å²	7	67.7 Å²	67.7	3%	0.034	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137	171	-59.9	-64.2	-77.6	0	0	108.6	V99 Y100 I102 F105 P116 A267 A268 P270	M93-V99 WeakPolarHBondContact O-CA 3.48Å; M93-Y100 PolarHBondContact N-O 2.96Å; M93-Y100 PolarHBondContact O-N 2.89Å; M93-I102 HydrophobicContact CG-CG1 4.29Å; M93-F105 HydrophobicContact CB-CB 3.78Å; M93-F105 HydrophobicContact CB-CD1 3.9Å; M93-F105 HydrophobicContact CB-CD2 3.52Å; M93-F105 HydrophobicContact CB-CE1 4.4Å; M93-F105 HydrophobicContact CB-CE2 4.05Å; M93-F105 HydrophobicContact CB-CG 3.44Å; M93-F105 VanDerWaalsContact CB-CG 3.44Å; M93-F105 HydrophobicContact CB-CZ 4.47Å; M93-F105 HydrophobicContact CE-CD1 3.5Å; M93-F105 VanDerWaalsContact CE-CD1 3.5Å; M93-F105 HydrophobicContact CE-CE1 3.69Å; M93-F105 HydrophobicContact CE-CG 4.27Å; M93-F105 HydrophobicContact CG-CB 3.68Å; M93-F105 HydrophobicContact CG-CD1 3.92Å; M93-F105 HydrophobicContact CG-CD2 4.31Å; M93-F105 HydrophobicContact CG-CG 3.71Å; M93-P116 HydrophobicContact CE-CG 4.49Å; M93-A267 HydrophobicContact CE-CB 4.31Å; M93-A268 VanDerWaalsContact CE-O 3.26Å; M93-A268 WeakPolarHBondContact CE-O 3.28Å; M93-P270 HydrophobicContact SD-CB 4.01Å; M93-P270 HydrophobicContact SD-CG 3.75Å
94	R	93.8	Very high	91.7	Very high	97 Å²	97	64.7 Å²	64.7	37%	0.366	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.4	177.7	-62.2	-171.4	-172.8	-83.5	-2	110.5	E271	R94-E271 WeakPolarHBondContact CD-OE2 3.41Å; R94-E271 IonicContact CZ-OE2 3.44Å; R94-E271 IonicContact NE-OE2 3.57Å; R94-E271 PolarHBondContact NE-OE2 3.44Å; R94-E271 IonicContact NH2-OE2 3Å
95	A	92.9	Very high	92	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	107.7	167.8	0	0	0	0	0	108.4	S97 K98 Y100 F105 F120 L122 L127	A95-S97 PolarHBondContact O-N 3.35Å; A95-K98 PolarHBondContact N-O 2.82Å; A95-K98 PolarHBondContact O-N 3.11Å; A95-Y100 HydrophobicContact CB-CE2 4.26Å; A95-F105 HydrophobicContact CB-CE2 4Å; A95-F105 HydrophobicContact CB-CZ 4.4Å; A95-F120 HydrophobicContact CB-CE2 3.78Å; A95-F120 HydrophobicContact CB-CZ 3.75Å; A95-L122 HydrophobicContact CB-CD2 4.04Å; A95-L127 HydrophobicContact CB-CD2 4.09Å
96	R	89.4	Confident	92.3	Very high	145 Å²	145	61.8 Å²	61.8	55%	0.547	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	-120.1	-169.5	-60.4	-177.7	155.3	165.2	-13.1	111.2	L122 T263 M265	R96-L122 HydrophobicContact CB-CD2 4.18Å; R96-L122 HydrophobicContact CG-CD2 4.21Å; R96-T263 PolarHBondContact NH1-OG1 3.22Å; R96-T263 VanDerWaalsContact NH2-CG2 3.26Å; R96-T263 PolarHBondContact NH2-OG1 3.3Å; R96-M265 HydrophobicContact CG-CE 4.17Å; R96-M265 HydrophobicContact CG-SD 3.74Å
97	S	88.5	Confident	92.6	Very high	117 Å²	117	61.1 Å²	61.1	82%	0.818	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.6	177.9	51.3	0	0	0	0	114.1	A95	A95-S97 PolarHBondContact O-N 3.35Å
98	K	91.9	Very high	93.1	Very high	72 Å²	72	61.8 Å²	61.8	31%	0.313	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	140.3	-179.9	-67.3	-177.8	-179.5	179	0	110.7	A80 A95 Y100 L122	A80-K98 HydrophobicContact CB-CB 3.81Å; A80-K98 HydrophobicContact CB-CD 3.96Å; A80-K98 HydrophobicContact CB-CG 3.94Å; A95-K98 PolarHBondContact N-O 2.82Å; A95-K98 PolarHBondContact O-N 3.11Å; K98-Y100 HydrophobicContact CB-CE2 3.58Å; K98-Y100 WeakPolarHBondContact CD-OH 3.33Å; K98-L122 HydrophobicContact CD-CD1 4.22Å; K98-L122 HydrophobicContact CD-CD2 4.44Å
99	V	93.9	Very high	93.7	Very high	8 Å²	8	57.8 Å²	57.8	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.8	179.4	-171	0	0	0	0	109	I77 C79 A80 F86 V92 M93	I77-V99 HydrophobicContact CG2-CB 4.03Å; I77-V99 HydrophobicContact CG2-CG2 3.91Å; C79-V99 CarbonylContact C-O 3.54Å; C79-V99 VanDerWaalsContact CA-O 3.31Å; C79-V99 WeakPolarHBondContact CA-O 3.23Å; A80-V99 PolarHBondContact N-O 3.35Å; F86-V99 HydrophobicContact CD2-CG1 4.45Å; F86-V99 HydrophobicContact CE2-CB 4.02Å; F86-V99 HydrophobicContact CE2-CG1 3.64Å; F86-V99 HydrophobicContact CZ-CB 4.2Å; F86-V99 HydrophobicContact CZ-CG1 3.67Å; V92-V99 HydrophobicContact CB-CG1 3.66Å; V92-V99 HydrophobicContact CG1-CG1 4.05Å; V92-V99 HydrophobicContact CG2-CG1 3.84Å; M93-V99 WeakPolarHBondContact O-CA 3.48Å
100	Y	95.9	Very high	94.2	Very high	6 Å²	6	54.9 Å²	54.9	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.7	-175.6	-58.6	-98.1	0	0	0	111.3	A80 K81 V92 M93 A95 K98 F105 L127	A80-Y100 HydrophobicContact CB-CD1 4.36Å; A80-Y100 HydrophobicContact CB-CE1 3.77Å; A80-Y100 HydrophobicContact CB-CE2 4.33Å; K81-Y100 HydrophobicContact CB-CD1 4Å; K81-Y100 HydrophobicContact CB-CE1 4.16Å; V92-Y100 WeakPolarHBondContact CA-O 3.48Å; M93-Y100 PolarHBondContact N-O 2.96Å; M93-Y100 PolarHBondContact O-N 2.89Å; A95-Y100 HydrophobicContact CB-CE2 4.26Å; K98-Y100 HydrophobicContact CB-CE2 3.58Å; K98-Y100 WeakPolarHBondContact CD-OH 3.33Å; Y100-F105 AromaticContact CD2-CD2 3.69Å; Y100-F105 HydrophobicContact CD2-CD2 3.69Å; Y100-F105 AromaticContact CD2-CE2 3.97Å; Y100-F105 HydrophobicContact CD2-CE2 3.97Å; Y100-F105 HydrophobicContact CE2-CD2 4.37Å; Y100-F105 HydrophobicContact CE2-CE2 4.33Å; Y100-F105 AromaticContact CG-CD2 3.83Å; Y100-F105 HydrophobicContact CG-CD2 3.83Å; Y100-L127 HydrophobicContact CD1-CD1 4.17Å; Y100-L127 HydrophobicContact CD2-CD1 4.41Å; Y100-L127 HydrophobicContact CE1-CD1 3.88Å; Y100-L127 HydrophobicContact CE1-CG 4.42Å; Y100-L127 HydrophobicContact CE2-CD1 4.14Å; Y100-L127 HydrophobicContact CE2-CD2 4.39Å; Y100-L127 HydrophobicContact CG-CD1 4.43Å
101	H	96.4	Very high	94.5	Very high	35 Å²	35	56 Å²	56	16%	0.162	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	151.2	161.7	-56.6	92.5	0	0	0	109.1	C79 C82 G85 F86 E103 C104 F105	C79-H101 VanDerWaalsContact CB-CE1 3.47Å; C79-H101 WeakPolarHBondContact CB-CE1 3.48Å; C79-H101 VanDerWaalsContact CB-ND1 3.27Å; C79-H101 WeakPolarHBondContact CB-ND1 3.24Å; C82-H101 VanDerWaalsContact SG-CE1 3.58Å; C82-H101 PolarHBondContact SG-ND1 3.27Å; G85-H101 PolarHBondContact O-NE2 2.95Å; G85-H101 VanDerWaalsContact O-NE2 3.13Å; F86-H101 AromaticContact CD1-CD2 3.5Å; F86-H101 AromaticContact CD1-CE1 3.99Å; F86-H101 AromaticContact CD1-NE2 3.37Å; F86-H101 WeakPolarHBondContact CD1-NE2 3.2Å; F86-H101 HydrophobicContact CE1-CB 4.39Å; F86-H101 AromaticContact CE1-CD2 3.44Å; F86-H101 VanDerWaalsContact CE1-CD2 3.44Å; F86-H101 WeakPolarHBondContact CE1-CD2 3.47Å; F86-H101 AromaticContact CE1-CE1 3.64Å; F86-H101 AromaticContact CE1-CG 3.62Å; F86-H101 AromaticContact CE1-ND1 3.75Å; F86-H101 AromaticContact CE1-NE2 3.44Å; F86-H101 WeakPolarHBondContact CE1-NE2 3.42Å; H101-E103 PolarHBondContact O-N 3.09Å; H101-C104 HydrophobicContact CB-CB 4.07Å; H101-C104 WeakPolarHBondContact O-CA 3.28Å; H101-C104 WeakPolarHBondContact O-CB 3.42Å; H101-C104 PolarHBondContact O-N 3.42Å; H101-F105 PolarHBondContact O-N 3.46Å
102	I	95.4	Very high	94.5	Very high	64 Å²	64	57.7 Å²	57.7	33%	0.328	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-51	-44.3	176.2	-71.9	167.9	0	0	0	111.5	F91 M93 C104 F105 Q113 P270	F91-I102 HydrophobicContact CB-CD1 3.53Å; F91-I102 HydrophobicContact CB-CG1 4.4Å; M93-I102 HydrophobicContact CG-CG1 4.29Å; I102-C104 VanDerWaalsContact C-N 3.3Å; I102-C104 PolarHBondContact O-N 3.24Å; I102-F105 PolarHBondContact O-N 3.35Å; I102-Q113 VanDerWaalsContact CG2-NE2 3.32Å; I102-Q113 PolarHBondContact O-NE2 2.68Å; I102-P270 HydrophobicContact CD1-CB 3.85Å; I102-P270 HydrophobicContact CD1-CG 4.03Å; I102-P270 HydrophobicContact CG1-CB 4.09Å; I102-P270 HydrophobicContact CG1-CG 4.23Å
103	E	95.7	Very high	94.6	Very high	150 Å²	150	60.6 Å²	60.6	70%	0.701	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-70.6	-25	179	-62.6	175.1	-176.4	0	0	113.6	H101 R106	H101-E103 PolarHBondContact O-N 3.09Å; E103-R106 VanDerWaalsContact O-CD 3.26Å; E103-R106 WeakPolarHBondContact O-CD 3.18Å; E103-R106 WeakPolarHBondContact O-CG 3.42Å; E103-R106 PolarHBondContact O-NE 3.03Å
104	C	96.7	Very high	94.6	Very high	20 Å²	20	60.5 Å²	60.5	14%	0.135	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-83.6	-19.5	177.7	-79	0	0	0	0	113	K81 H101 I102 R106	K81-C104 HydrophobicContact CB-CB 4.06Å; K81-C104 HydrophobicContact CD-CB 4.03Å; K81-C104 WeakPolarHBondContact CD-O 3.4Å; H101-C104 HydrophobicContact CB-CB 4.07Å; H101-C104 WeakPolarHBondContact O-CA 3.28Å; H101-C104 WeakPolarHBondContact O-CB 3.42Å; H101-C104 PolarHBondContact O-N 3.42Å; I102-C104 VanDerWaalsContact C-N 3.3Å; I102-C104 PolarHBondContact O-N 3.24Å; C104-R106 PolarHBondContact O-N 3.1Å
105	F	97	Very high	94.6	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	31%	0.314	C	S	.	.			trans	-77.1	75.3	-178.3	-158.5	-108.3	0	0	0	110.9	M93 A95 Y100 H101 I102 L114 F120 L127 A267	M93-F105 HydrophobicContact CB-CB 3.78Å; M93-F105 HydrophobicContact CB-CD1 3.9Å; M93-F105 HydrophobicContact CB-CD2 3.52Å; M93-F105 HydrophobicContact CB-CE1 4.4Å; M93-F105 HydrophobicContact CB-CE2 4.05Å; M93-F105 HydrophobicContact CB-CG 3.44Å; M93-F105 VanDerWaalsContact CB-CG 3.44Å; M93-F105 HydrophobicContact CB-CZ 4.47Å; M93-F105 HydrophobicContact CE-CD1 3.5Å; M93-F105 VanDerWaalsContact CE-CD1 3.5Å; M93-F105 HydrophobicContact CE-CE1 3.69Å; M93-F105 HydrophobicContact CE-CG 4.27Å; M93-F105 HydrophobicContact CG-CB 3.68Å; M93-F105 HydrophobicContact CG-CD1 3.92Å; M93-F105 HydrophobicContact CG-CD2 4.31Å; M93-F105 HydrophobicContact CG-CG 3.71Å; A95-F105 HydrophobicContact CB-CE2 4Å; A95-F105 HydrophobicContact CB-CZ 4.4Å; Y100-F105 AromaticContact CD2-CD2 3.69Å; Y100-F105 HydrophobicContact CD2-CD2 3.69Å; Y100-F105 AromaticContact CD2-CE2 3.97Å; Y100-F105 HydrophobicContact CD2-CE2 3.97Å; Y100-F105 HydrophobicContact CE2-CD2 4.37Å; Y100-F105 HydrophobicContact CE2-CE2 4.33Å; Y100-F105 AromaticContact CG-CD2 3.83Å; Y100-F105 HydrophobicContact CG-CD2 3.83Å; H101-F105 PolarHBondContact O-N 3.46Å; I102-F105 PolarHBondContact O-N 3.35Å; F105-L114 HydrophobicContact CD1-CB 3.66Å; F105-L114 HydrophobicContact CD1-CD1 4.43Å; F105-L114 WeakPolarHBondContact CD1-O 3.41Å; F105-L114 HydrophobicContact CE1-CB 3.67Å; F105-L114 HydrophobicContact CE1-CD1 4.16Å; F105-L114 PolarHBondContact O-N 3.47Å; F105-F120 HydrophobicContact CZ-CD1 4.4Å; F105-F120 HydrophobicContact CZ-CD2 4.47Å; F105-F120 AromaticContact CZ-CE1 3.97Å; F105-F120 HydrophobicContact CZ-CE1 3.97Å; F105-F120 HydrophobicContact CZ-CE2 4.05Å; F105-F120 AromaticContact CZ-CZ 3.79Å; F105-F120 HydrophobicContact CZ-CZ 3.79Å; F105-L127 HydrophobicContact CD2-CD1 3.4Å; F105-L127 HydrophobicContact CE2-CD1 3.55Å; F105-L127 HydrophobicContact CE2-CD2 3.8Å; F105-L127 HydrophobicContact CE2-CG 4.35Å; F105-L127 HydrophobicContact CG-CD1 4.11Å; F105-L127 HydrophobicContact CZ-CD1 4.35Å; F105-L127 HydrophobicContact CZ-CD2 4.25Å; F105-A267 HydrophobicContact CE1-CB 3.94Å
106	R	97.2	Very high	94.8	Very high	77 Å²	77	63.1 Å²	63.1	29%	0.291	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-131.1	149.8	-173.5	-62.1	-178.1	173.7	-86.1	-11.8	110.6	E103 C104 S111 R112 Q113	E103-R106 VanDerWaalsContact O-CD 3.26Å; E103-R106 WeakPolarHBondContact O-CD 3.18Å; E103-R106 WeakPolarHBondContact O-CG 3.42Å; E103-R106 PolarHBondContact O-NE 3.03Å; C104-R106 PolarHBondContact O-N 3.1Å; R106-S111 WeakPolarHBondContact CD-O 3.48Å; R106-S111 PolarHBondContact NH1-O 3.49Å; R106-S111 VanDerWaalsContact NH1-O 3.12Å; R106-R112 CarbonylContact C-O 3.54Å; R106-R112 WeakPolarHBondContact CA-O 3.06Å; R106-R112 WeakPolarHBondContact CB-O 3.35Å; R106-Q113 HydrophobicContact CG-CB 4.26Å; R106-Q113 HydrophobicContact CG-CG 4.4Å
107	C	96.2	Very high	95	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	33%	0.333	C	S	.	.			trans	-58.9	138.2	167.3	-176	0	0	0	0	110.6	A109 C110 S111 R112 L127 C129 D132	C107-A109 PolarHBondContact SG-N 3.49Å; C107-A109 VanDerWaalsContact SG-N 3.44Å; C107-C110 VanDerWaalsContact CB-SG 3.59Å; C107-S111 WeakPolarHBondContact O-CA 3.49Å; C107-S111 PolarHBondContact O-N 2.84Å; C107-S111 VanDerWaalsContact O-N 3.16Å; C107-R112 PolarHBondContact N-O 2.99Å; C107-L127 CarbonylContact C-O 3.48Å; C107-L127 VanDerWaalsContact CA-O 3.3Å; C107-L127 WeakPolarHBondContact CA-O 3.49Å; C107-C129 HydrophobicContact CB-CB 4.16Å; C107-C129 PolarHBondContact SG-N 2.97Å; C107-D132 PolarHBondContact SG-OD2 3.22Å
108	V	94.9	Very high	95.3	Very high	82 Å²	82	54.7 Å²	54.7	50%	0.497	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-38	176.9	175.6	0	0	0	0	111.4	L127 F128	V108-L127 PolarHBondContact N-O 2.94Å; V108-F128 HydrophobicContact CB-CZ 4.44Å
109	A	92.7	Very high	95.5	Very high	61 Å²	61	55.6 Å²	55.6	50%	0.504	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-67.9	-179.4	0	0	0	0	0	112.3	C107 S111 F128 D132	C107-A109 PolarHBondContact SG-N 3.49Å; C107-A109 VanDerWaalsContact SG-N 3.44Å; A109-S111 PolarHBondContact O-N 2.77Å; A109-F128 HydrophobicContact CB-CD1 4.48Å; A109-F128 HydrophobicContact CB-CE1 4.44Å; A109-D132 HydrophobicContact CB-CB 3.98Å
110	C	95.6	Very high	95.6	Very high	63 Å²	63	55.4 Å²	55.4	43%	0.426	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-0.8	-176	67.1	0	0	0	0	116.1	C107 R112 D132	C107-C110 VanDerWaalsContact CB-SG 3.59Å; C110-R112 PolarHBondContact O-N 3.13Å; C110-R112 VanDerWaalsContact SG-CB 3.5Å; C110-D132 WeakPolarHBondContact CB-OD2 3.29Å; C110-D132 PolarHBondContact N-OD2 3.4Å; C110-D132 PolarHBondContact SG-OD2 2.95Å
111	S	95.4	Very high	95.5	Very high	75 Å²	75	55.1 Å²	55.1	52%	0.524	31%	0.305	S	S	.	.			trans	57.2	3.6	-175	-69.5	0	0	0	0	116.9	R106 C107 A109	R106-S111 WeakPolarHBondContact CD-O 3.48Å; R106-S111 PolarHBondContact NH1-O 3.49Å; R106-S111 VanDerWaalsContact NH1-O 3.12Å; C107-S111 WeakPolarHBondContact O-CA 3.49Å; C107-S111 PolarHBondContact O-N 2.84Å; C107-S111 VanDerWaalsContact O-N 3.16Å; A109-S111 PolarHBondContact O-N 2.77Å
112	R	95.3	Very high	95.4	Very high	131 Å²	131	54.2 Å²	54.2	49%	0.494	30%	0.301	S	S	.	.			trans	-58.1	137.3	173.3	176.9	-177.2	158.3	131.5	-3.8	110.5	R106 C107 C110 D118	R106-R112 CarbonylContact C-O 3.54Å; R106-R112 WeakPolarHBondContact CA-O 3.06Å; R106-R112 WeakPolarHBondContact CB-O 3.35Å; C107-R112 PolarHBondContact N-O 2.99Å; C110-R112 PolarHBondContact O-N 3.13Å; C110-R112 VanDerWaalsContact SG-CB 3.5Å; R112-D118 IonicContact CZ-OD2 2.73Å; R112-D118 IonicContact NE-OD2 3.53Å; R112-D118 PolarHBondContact NE-OD2 3.4Å; R112-D118 VanDerWaalsContact NH2-CG 3.26Å; R112-D118 IonicContact NH2-OD1 3.37Å; R112-D118 PolarHBondContact NH2-OD1 2.95Å; R112-D118 IonicContact NH2-OD2 2.74Å; R112-D118 PolarHBondContact NH2-OD2 2.86Å
113	Q	96.5	Very high	95.1	Very high	61 Å²	61	52.7 Å²	52.7	29%	0.285	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-73.3	129.3	170.1	-162.6	168.7	-2.5	0	0	110.9	I102 R106 I115	I102-Q113 VanDerWaalsContact CG2-NE2 3.32Å; I102-Q113 PolarHBondContact O-NE2 2.68Å; R106-Q113 HydrophobicContact CG-CB 4.26Å; R106-Q113 HydrophobicContact CG-CG 4.4Å; Q113-I115 PolarHBondContact O-N 3Å
114	L	95.4	Very high	94.7	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	30%	0.296	C	S	.	.			trans	-85.6	109.8	177.9	-60.5	169.6	0	0	0	107.3	F105 D118 F120 L127 C129	F105-L114 HydrophobicContact CD1-CB 3.66Å; F105-L114 HydrophobicContact CD1-CD1 4.43Å; F105-L114 WeakPolarHBondContact CD1-O 3.41Å; F105-L114 HydrophobicContact CE1-CB 3.67Å; F105-L114 HydrophobicContact CE1-CD1 4.16Å; F105-L114 PolarHBondContact O-N 3.47Å; L114-D118 HydrophobicContact CD2-CB 4.48Å; L114-F120 HydrophobicContact CD1-CB 3.68Å; L114-F120 HydrophobicContact CD1-CD2 4.3Å; L114-F120 HydrophobicContact CD1-CG 4.02Å; L114-F120 HydrophobicContact CD2-CB 4.07Å; L114-F120 HydrophobicContact CG-CB 4.44Å; L114-L127 HydrophobicContact CD1-CB 3.98Å; L114-L127 HydrophobicContact CD1-CD1 4.46Å; L114-C129 HydrophobicContact CD2-CB 3.74Å
115	I	94.8	Very high	94	Very high	92 Å²	92	59 Å²	59	47%	0.472	32%	0.323	S	S	.	.			trans	-91	159	-179	58.3	166.4	0	0	0	110.9	Q113 G117 D118 A267	Q113-I115 PolarHBondContact O-N 3Å; I115-G117 PolarHBondContact O-N 2.95Å; I115-D118 WeakPolarHBondContact CG1-OD2 3.45Å; I115-D118 PolarHBondContact N-OD2 2.95Å; I115-D118 VanDerWaalsContact N-OD2 3.09Å; I115-D118 VanDerWaalsContact O-CB 3.28Å; I115-D118 WeakPolarHBondContact O-CB 3.35Å; I115-D118 PolarHBondContact O-N 2.71Å; I115-A267 VanDerWaalsContact O-CB 3.25Å; I115-A267 WeakPolarHBondContact O-CB 3.31Å
116	P	95.6	Very high	93.8	Very high	61 Å²	61	59.4 Å²	59.4	40%	0.396	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	127.3	176.4	-26.2	35.5	0	0	0	111.8	M93 A267	M93-P116 HydrophobicContact CE-CG 4.49Å; P116-A267 CarbonylContact C-O 3.45Å; P116-A267 VanDerWaalsContact CA-O 3.31Å; P116-A267 WeakPolarHBondContact CA-O 3.34Å
117	G	94.1	Very high	93.7	Very high	53 Å²	53	55.9 Å²	55.9	55%	0.546	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-17.7	-171.1	0	0	0	0	0	115.4	I115 A267	I115-G117 PolarHBondContact O-N 2.95Å; G117-A267 PolarHBondContact N-O 2.88Å
118	D	95.4	Very high	93.6	Very high	31 Å²	31	56.7 Å²	56.7	17%	0.166	32%	0.318	C	S	.	.			trans	-66.2	134.2	171.9	-80.7	-9.8	0	0	0	110.4	R112 L114 I115 A267	R112-D118 IonicContact CZ-OD2 2.73Å; R112-D118 IonicContact NE-OD2 3.53Å; R112-D118 PolarHBondContact NE-OD2 3.4Å; R112-D118 VanDerWaalsContact NH2-CG 3.26Å; R112-D118 IonicContact NH2-OD1 3.37Å; R112-D118 PolarHBondContact NH2-OD1 2.95Å; R112-D118 IonicContact NH2-OD2 2.74Å; R112-D118 PolarHBondContact NH2-OD2 2.86Å; L114-D118 HydrophobicContact CD2-CB 4.48Å; I115-D118 WeakPolarHBondContact CG1-OD2 3.45Å; I115-D118 PolarHBondContact N-OD2 2.95Å; I115-D118 VanDerWaalsContact N-OD2 3.09Å; I115-D118 VanDerWaalsContact O-CB 3.28Å; I115-D118 WeakPolarHBondContact O-CB 3.35Å; I115-D118 PolarHBondContact O-N 2.71Å; D118-A267 PolarHBondContact O-N 2.84Å
119	E	95.5	Very high	93.7	Very high	91 Å²	91	53.4 Å²	53.4	43%	0.425	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.9	167.3	-73.3	173.6	-136.3	0	0	110.8	R130 M265 V266	E119-R130 HydrophobicContact CB-CB 4.12Å; E119-R130 PolarHBondContact O-N 2.99Å; E119-R130 VanDerWaalsContact O-N 3.09Å; E119-R130 IonicContact OE1-NH1 3.14Å; E119-R130 PolarHBondContact OE1-NH1 2.92Å; E119-R130 VanDerWaalsContact OE2-CD 3.29Å; E119-R130 WeakPolarHBondContact OE2-CD 3.19Å; E119-R130 IonicContact OE2-CZ 2.88Å; E119-R130 IonicContact OE2-NE 3.41Å; E119-R130 IonicContact OE2-NH1 2.77Å; E119-R130 PolarHBondContact OE2-NH1 2.86Å; E119-M265 WeakPolarHBondContact CA-O 3.41Å; E119-V266 HydrophobicContact CG-CG2 4.22Å
120	F	95.7	Very high	93.7	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162.5	-179.1	79.2	-83	0	0	0	110.7	A95 F105 L114 L122 L127 F128 M265 A267	A95-F120 HydrophobicContact CB-CE2 3.78Å; A95-F120 HydrophobicContact CB-CZ 3.75Å; F105-F120 HydrophobicContact CZ-CD1 4.4Å; F105-F120 HydrophobicContact CZ-CD2 4.47Å; F105-F120 AromaticContact CZ-CE1 3.97Å; F105-F120 HydrophobicContact CZ-CE1 3.97Å; F105-F120 HydrophobicContact CZ-CE2 4.05Å; F105-F120 AromaticContact CZ-CZ 3.79Å; F105-F120 HydrophobicContact CZ-CZ 3.79Å; L114-F120 HydrophobicContact CD1-CB 3.68Å; L114-F120 HydrophobicContact CD1-CD2 4.3Å; L114-F120 HydrophobicContact CD1-CG 4.02Å; L114-F120 HydrophobicContact CD2-CB 4.07Å; L114-F120 HydrophobicContact CG-CB 4.44Å; F120-L122 HydrophobicContact CE2-CB 4.36Å; F120-L127 HydrophobicContact CD2-CD2 3.67Å; F120-L127 HydrophobicContact CE2-CD2 3.51Å; F120-F128 CarbonylContact C-O 3.51Å; F120-F128 WeakPolarHBondContact CA-O 3.29Å; F120-F128 VanDerWaalsContact CB-O 3.27Å; F120-F128 WeakPolarHBondContact CB-O 3.18Å; F120-M265 HydrophobicContact CD1-CB 4.18Å; F120-M265 WeakPolarHBondContact CD1-O 3.49Å; F120-M265 HydrophobicContact CE1-CB 3.6Å; F120-M265 HydrophobicContact CE2-CB 4.14Å; F120-M265 HydrophobicContact CZ-CB 3.58Å; F120-M265 HydrophobicContact CZ-CG 4.4Å; F120-M265 HydrophobicContact CZ-SD 4.17Å; F120-M265 PolarHBondContact N-O 2.84Å; F120-M265 PolarHBondContact O-N 2.91Å; F120-A267 HydrophobicContact CD1-CB 4.17Å; F120-A267 HydrophobicContact CE1-CB 4.23Å
121	A	94	Very high	93.6	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.3	170.8	0	0	0	0	0	110.5	F128 H133	A121-F128 PolarHBondContact N-O 2.86Å; A121-F128 PolarHBondContact O-N 3.3Å; A121-H133 HydrophobicContact CB-CB 4.15Å; A121-H133 WeakPolarHBondContact CB-CD2 3.39Å
122	L	93.9	Very high	93.5	Very high	16 Å²	16	55.2 Å²	55.2	8%	0.084	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	109.3	170	179.9	61.1	0	0	0	109.2	A95 R96 K98 F120 L127	A95-L122 HydrophobicContact CB-CD2 4.04Å; R96-L122 HydrophobicContact CB-CD2 4.18Å; R96-L122 HydrophobicContact CG-CD2 4.21Å; K98-L122 HydrophobicContact CD-CD1 4.22Å; K98-L122 HydrophobicContact CD-CD2 4.44Å; F120-L122 HydrophobicContact CE2-CB 4.36Å; L122-L127 HydrophobicContact CD1-CD2 3.87Å; L122-L127 HydrophobicContact CD1-CG 4.49Å
123	R	90.2	Very high	93.4	Very high	32 Å²	32	49.4 Å²	49.4	12%	0.121	27%	0.267	C	S	.	.			trans	-102.3	-179	172.5	-66.1	-172.7	177.1	-157.5	8.9	110.3	G126 F128 H133	R123-G126 PolarHBondContact N-O 3.06Å; R123-G126 PolarHBondContact O-N 3.37Å; R123-F128 HydrophobicContact CB-CD2 4.11Å; R123-F128 HydrophobicContact CB-CE2 3.98Å; R123-F128 HydrophobicContact CG-CD2 4.12Å; R123-F128 HydrophobicContact CG-CE2 4.34Å; R123-H133 PolarHBondContact NE-CD2 3.41Å; R123-H133 PolarHBondContact NE-NE2 2.88Å; R123-H133 VanDerWaalsContact NE-NE2 3.14Å; R123-H133 PolarHBondContact NH2-CD2 3.27Å; R123-H133 PolarHBondContact NH2-NE2 2.85Å; R123-H133 PolarHBondContact NH2-O 2.98Å
124	E	86	Confident	93.1	Very high	172 Å²	172	49 Å²	49	80%	0.804	27%	0.267	S	S	*	.	S	Bend	trans	-60.9	-48.6	175.9	-63.9	-177.7	179.6	0	0	110.6	G126	E124-G126 PolarHBondContact O-N 3.36Å
125	D	83.6	Confident	92.8	Very high	130 Å²	130	53.1 Å²	53.1	70%	0.695	29%	0.293	S	S	*	.	S	Bend	trans	-66.4	-14.4	178.7	-48.8	-59.3	0	0	0	114.7	F128	D125-F128 HydrophobicContact CB-CE2 4.23Å; D125-F128 HydrophobicContact CB-CZ 4.3Å
126	G	91.3	Very high	92.3	Very high	10 Å²	10	51.2 Å²	51.2	10%	0.103	29%	0.285	C	S	.	.			trans	131.9	-146.1	176.8	0	0	0	0	0	114.6	R123 E124	R123-G126 PolarHBondContact N-O 3.06Å; R123-G126 PolarHBondContact O-N 3.37Å; E124-G126 PolarHBondContact O-N 3.36Å
127	L	95	Very high	91.8	Very high	3 Å²	3	51 Å²	51	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.7	-172.8	-60.4	165.5	0	0	0	110.1	A95 Y100 F105 C107 V108 L114 F120 L122	A95-L127 HydrophobicContact CB-CD2 4.09Å; Y100-L127 HydrophobicContact CD1-CD1 4.17Å; Y100-L127 HydrophobicContact CD2-CD1 4.41Å; Y100-L127 HydrophobicContact CE1-CD1 3.88Å; Y100-L127 HydrophobicContact CE1-CG 4.42Å; Y100-L127 HydrophobicContact CE2-CD1 4.14Å; Y100-L127 HydrophobicContact CE2-CD2 4.39Å; Y100-L127 HydrophobicContact CG-CD1 4.43Å; F105-L127 HydrophobicContact CD2-CD1 3.4Å; F105-L127 HydrophobicContact CE2-CD1 3.55Å; F105-L127 HydrophobicContact CE2-CD2 3.8Å; F105-L127 HydrophobicContact CE2-CG 4.35Å; F105-L127 HydrophobicContact CG-CD1 4.11Å; F105-L127 HydrophobicContact CZ-CD1 4.35Å; F105-L127 HydrophobicContact CZ-CD2 4.25Å; C107-L127 CarbonylContact C-O 3.48Å; C107-L127 VanDerWaalsContact CA-O 3.3Å; C107-L127 WeakPolarHBondContact CA-O 3.49Å; V108-L127 PolarHBondContact N-O 2.94Å; L114-L127 HydrophobicContact CD1-CB 3.98Å; L114-L127 HydrophobicContact CD1-CD1 4.46Å; F120-L127 HydrophobicContact CD2-CD2 3.67Å; F120-L127 HydrophobicContact CE2-CD2 3.51Å; L122-L127 HydrophobicContact CD1-CD2 3.87Å; L122-L127 HydrophobicContact CD1-CG 4.49Å
128	F	95.1	Very high	91.2	Very high	18 Å²	18	56.7 Å²	56.7	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.2	173.9	-68.6	-95.5	0	0	0	109.4	V108 A109 F120 A121 R123 D125 D132 H133 V136	V108-F128 HydrophobicContact CB-CZ 4.44Å; A109-F128 HydrophobicContact CB-CD1 4.48Å; A109-F128 HydrophobicContact CB-CE1 4.44Å; F120-F128 CarbonylContact C-O 3.51Å; F120-F128 WeakPolarHBondContact CA-O 3.29Å; F120-F128 VanDerWaalsContact CB-O 3.27Å; F120-F128 WeakPolarHBondContact CB-O 3.18Å; A121-F128 PolarHBondContact N-O 2.86Å; A121-F128 PolarHBondContact O-N 3.3Å; R123-F128 HydrophobicContact CB-CD2 4.11Å; R123-F128 HydrophobicContact CB-CE2 3.98Å; R123-F128 HydrophobicContact CG-CD2 4.12Å; R123-F128 HydrophobicContact CG-CE2 4.34Å; D125-F128 HydrophobicContact CB-CE2 4.23Å; D125-F128 HydrophobicContact CB-CZ 4.3Å; F128-D132 HydrophobicContact CD1-CB 4.29Å; F128-H133 HydrophobicContact CB-CB 4.19Å; F128-V136 HydrophobicContact CE1-CG2 4.44Å
129	C	95.7	Very high	90.6	Very high	14 Å²	14	58.3 Å²	58.3	10%	0.095	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	160.1	168.9	78.7	0	0	0	0	109.4	C107 L114 A131 D132 H133	C107-C129 HydrophobicContact CB-CB 4.16Å; C107-C129 PolarHBondContact SG-N 2.97Å; L114-C129 HydrophobicContact CD2-CB 3.74Å; C129-A131 VanDerWaalsContact C-N 3.3Å; C129-A131 PolarHBondContact O-N 2.82Å; C129-D132 PolarHBondContact O-N 3.27Å; C129-D132 PolarHBondContact SG-N 3.11Å; C129-D132 PolarHBondContact SG-OD2 2.84Å; C129-H133 WeakPolarHBondContact O-CB 3.44Å; C129-H133 PolarHBondContact O-N 3.43Å
130	R	93.8	Very high	89.8	Confident	133 Å²	133	57.4 Å²	57.4	50%	0.502	31%	0.305	S	S	.	.	H	α-helix	trans	-46.8	-48.8	178	-175.6	-177.9	178.7	159	-9.1	113.7	E119 D132 H133 D134	E119-R130 HydrophobicContact CB-CB 4.12Å; E119-R130 PolarHBondContact O-N 2.99Å; E119-R130 VanDerWaalsContact O-N 3.09Å; E119-R130 IonicContact OE1-NH1 3.14Å; E119-R130 PolarHBondContact OE1-NH1 2.92Å; E119-R130 VanDerWaalsContact OE2-CD 3.29Å; E119-R130 WeakPolarHBondContact OE2-CD 3.19Å; E119-R130 IonicContact OE2-CZ 2.88Å; E119-R130 IonicContact OE2-NE 3.41Å; E119-R130 IonicContact OE2-NH1 2.77Å; E119-R130 PolarHBondContact OE2-NH1 2.86Å; R130-D132 PolarHBondContact O-N 2.66Å; R130-H133 WeakPolarHBondContact O-CB 3.44Å; R130-H133 PolarHBondContact O-N 3.46Å; R130-D134 PolarHBondContact O-N 3.01Å
131	A	93	Very high	88.6	Confident	67 Å²	67	63.6 Å²	63.6	55%	0.554	34%	0.338	S	S	*	.	H	α-helix	trans	-61.3	-47.3	-177.4	0	0	0	0	0	112.8	C129 V135	C129-A131 VanDerWaalsContact C-N 3.3Å; C129-A131 PolarHBondContact O-N 2.82Å; A131-V135 WeakPolarHBondContact O-CG2 3.45Å; A131-V135 PolarHBondContact O-N 3.36Å
132	D	93.9	Very high	87	Confident	36 Å²	36	66.2 Å²	66.2	19%	0.193	36%	0.364	C	S	.	.	H	α-helix	trans	-70	-34.8	177.6	-63	-38.8	0	0	0	111.2	C107 A109 C110 F128 C129 R130 V135 V136	C107-D132 PolarHBondContact SG-OD2 3.22Å; A109-D132 HydrophobicContact CB-CB 3.98Å; C110-D132 WeakPolarHBondContact CB-OD2 3.29Å; C110-D132 PolarHBondContact N-OD2 3.4Å; C110-D132 PolarHBondContact SG-OD2 2.95Å; F128-D132 HydrophobicContact CD1-CB 4.29Å; C129-D132 PolarHBondContact O-N 3.27Å; C129-D132 PolarHBondContact SG-N 3.11Å; C129-D132 PolarHBondContact SG-OD2 2.84Å; R130-D132 PolarHBondContact O-N 2.66Å; D132-V135 PolarHBondContact O-N 2.87Å; D132-V136 WeakPolarHBondContact O-CG2 3.33Å; D132-V136 PolarHBondContact O-N 3.11Å
133	H	92	Very high	85.1	Confident	9 Å²	9	70.2 Å²	70.2	4%	0.042	40%	0.4	C	S	.	.	H	α-helix	trans	-60	-49.9	175.8	-175.1	-97.5	0	0	0	111.8	A121 R123 F128 C129 R130 V135 V136 E137 G262	A121-H133 HydrophobicContact CB-CB 4.15Å; A121-H133 WeakPolarHBondContact CB-CD2 3.39Å; R123-H133 PolarHBondContact NE-CD2 3.41Å; R123-H133 PolarHBondContact NE-NE2 2.88Å; R123-H133 VanDerWaalsContact NE-NE2 3.14Å; R123-H133 PolarHBondContact NH2-CD2 3.27Å; R123-H133 PolarHBondContact NH2-NE2 2.85Å; R123-H133 PolarHBondContact NH2-O 2.98Å; F128-H133 HydrophobicContact CB-CB 4.19Å; C129-H133 WeakPolarHBondContact O-CB 3.44Å; C129-H133 PolarHBondContact O-N 3.43Å; R130-H133 WeakPolarHBondContact O-CB 3.44Å; R130-H133 PolarHBondContact O-N 3.46Å; H133-V135 PolarHBondContact O-N 3.11Å; H133-V136 PolarHBondContact O-N 3Å; H133-E137 IonicContact CE1-OE2 3.57Å; H133-E137 PolarHBondContact CE1-OE2 3.33Å; H133-E137 IonicContact ND1-OE2 2.71Å; H133-E137 PolarHBondContact ND1-OE2 3.01Å; H133-E137 WeakPolarHBondContact O-CB 3.26Å; H133-E137 PolarHBondContact O-N 2.97Å; H133-G262 PolarHBondContact NE2-O 3.3Å
134	D	90.1	Very high	83	Confident	52 Å²	52	71.9 Å²	71.9	28%	0.278	43%	0.427	S	S	.	.	H	α-helix	trans	-63.3	-28.7	-179.5	-63.6	-4.5	0	0	0	111.8	R130 R138	R130-D134 PolarHBondContact O-N 3.01Å; D134-R138 WeakPolarHBondContact O-CB 3.43Å; D134-R138 VanDerWaalsContact O-CG 3.24Å; D134-R138 WeakPolarHBondContact O-CG 3.28Å; D134-R138 PolarHBondContact O-N 3.02Å; D134-R138 PolarHBondContact O-NH1 2.99Å
135	V	89.3	Confident	81.1	Confident	92 Å²	92	69.9 Å²	69.9	56%	0.558	42%	0.422	S	S	*	.	H	α-helix	trans	-71.3	-49.9	173.3	171.5	0	0	0	0	110.8	A131 D132 H133 R138 A139	A131-V135 WeakPolarHBondContact O-CG2 3.45Å; A131-V135 PolarHBondContact O-N 3.36Å; D132-V135 PolarHBondContact O-N 2.87Å; H133-V135 PolarHBondContact O-N 3.11Å; V135-R138 PolarHBondContact O-N 3.05Å; V135-A139 PolarHBondContact O-N 3.4Å
136	V	85	Confident	79.3	Confident	51 Å²	51	69.5 Å²	69.5	31%	0.309	43%	0.427	S	S	.	.	H	α-helix	trans	-70.9	-32.7	-178.8	-169	0	0	0	0	111.4	F128 D132 H133 A139 S140	F128-V136 HydrophobicContact CE1-CG2 4.44Å; D132-V136 WeakPolarHBondContact O-CG2 3.33Å; D132-V136 PolarHBondContact O-N 3.11Å; H133-V136 PolarHBondContact O-N 3Å; V136-A139 PolarHBondContact O-N 3.24Å; V136-S140 WeakPolarHBondContact O-CB 3.49Å; V136-S140 PolarHBondContact O-N 2.9Å; V136-S140 PolarHBondContact O-OG 2.96Å
137	E	84.4	Confident	77	Confident	56 Å²	56	75.8 Å²	75.8	26%	0.262	46%	0.457	S	S	.	.	H	α-helix	trans	-63.6	-44.6	173.2	-172.1	161	-146.9	0	0	112.4	H133 A139 S140 L141	H133-E137 IonicContact CE1-OE2 3.57Å; H133-E137 PolarHBondContact CE1-OE2 3.33Å; H133-E137 IonicContact ND1-OE2 2.71Å; H133-E137 PolarHBondContact ND1-OE2 3.01Å; H133-E137 WeakPolarHBondContact O-CB 3.26Å; H133-E137 PolarHBondContact O-N 2.97Å; E137-A139 VanDerWaalsContact C-N 3.31Å; E137-A139 PolarHBondContact O-N 3.35Å; E137-S140 PolarHBondContact O-N 2.83Å; E137-L141 HydrophobicContact CG-CD1 4.04Å; E137-L141 WeakPolarHBondContact O-CG 3.03Å; E137-L141 PolarHBondContact O-N 3.33Å
138	R	83.3	Confident	74.8	Confident	173 Å²	173	81 Å²	81	65%	0.653	49%	0.494	S	S	*	.	H	α-helix	trans	-61.1	-39.2	172	-74.7	178.3	-173.5	108.8	-0.7	112.3	D134 V135 G142	D134-R138 WeakPolarHBondContact O-CB 3.43Å; D134-R138 VanDerWaalsContact O-CG 3.24Å; D134-R138 WeakPolarHBondContact O-CG 3.28Å; D134-R138 PolarHBondContact O-N 3.02Å; D134-R138 PolarHBondContact O-NH1 2.99Å; V135-R138 PolarHBondContact O-N 3.05Å; R138-G142 PolarHBondContact O-N 2.8Å
139	A	82	Confident	72.3	Confident	65 Å²	65	85.9 Å²	85.9	54%	0.537	53%	0.527	S	S	.	.	H	α-helix	trans	-65.3	-41.2	175.7	0	0	0	0	0	112.3	V135 V136 E137 G142	V135-A139 PolarHBondContact O-N 3.4Å; V136-A139 PolarHBondContact O-N 3.24Å; E137-A139 VanDerWaalsContact C-N 3.31Å; E137-A139 PolarHBondContact O-N 3.35Å; A139-G142 PolarHBondContact O-N 2.99Å
140	S	77.6	Confident	69.9	Low	72 Å²	72	92.4 Å²	92.4	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-67.6	-34.4	177.5	-62.1	0	0	0	0	113.4	V136 E137	V136-S140 WeakPolarHBondContact O-CB 3.49Å; V136-S140 PolarHBondContact O-N 2.9Å; V136-S140 PolarHBondContact O-OG 2.96Å; E137-S140 PolarHBondContact O-N 2.83Å
141	L	70.7	Confident	67.9	Low	135 Å²	135	93.6 Å²	93.6	71%	0.707	57%	0.571	S	S	*	*	H	α-helix	trans	-85.4	-17.9	178.4	-65	172	0	0	0	113.4	E137	E137-L141 HydrophobicContact CG-CD1 4.04Å; E137-L141 WeakPolarHBondContact O-CG 3.03Å; E137-L141 PolarHBondContact O-N 3.33Å
142	G	60.5	Low	65.7	Low	54 Å²	54	96.9 Å²	96.9	56%	0.557	59%	0.587	S	S	*	*			trans	-96.3	0.8	-172.4	0	0	0	0	0	116.4	R138 A139 G144	R138-G142 PolarHBondContact O-N 2.8Å; A139-G142 PolarHBondContact O-N 2.99Å; G142-G144 PolarHBondContact O-N 2.91Å
143	A	54.6	Low	63.4	Low	101 Å²	101	99.2 Å²	99.2	84%	0.835	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	27.8	-175.8	0	0	0	0	0	114.5
144	G	46.9	Very low	61.3	Low	67 Å²	67	110.2 Å²	110.2	69%	0.691	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.4	28.2	-163.8	0	0	0	0	0	117	G142	G142-G144 PolarHBondContact O-N 2.91Å
145	D	46	Very low	59	Low	129 Å²	129	113.6 Å²	113.6	69%	0.69	68%	0.677	S	S	*	*			trans	-169.8	123.2	144.9	-133.7	-48.2	0	0	0	111.5	L147	D145-L147 PolarHBondContact O-N 3.27Å
146	P	44.2	Very low	56.9	Low	123 Å²	123	116.5 Å²	116.5	80%	0.799	69%	0.689	S	S	*	*			trans	-93.9	57.7	-175.1	38.1	-36	0	0	0	113
147	L	44.6	Very low	54.9	Low	142 Å²	142	122.5 Å²	122.5	74%	0.743	71%	0.713	S	S	*	*			trans	-133	121	179	-71.3	176.6	0	0	0	114.8	D145	D145-L147 PolarHBondContact O-N 3.27Å
148	S	47.7	Very low	53.2	Low	113 Å²	113	128.6 Å²	128.6	79%	0.79	74%	0.744	S	S	*	*			trans	98.8	82.4	162.1	-45.4	0	0	0	0	118
149	P	43.4	Very low	51.2	Low	119 Å²	119	125 Å²	125	77%	0.773	75%	0.752	S	S	*	*			trans	-65.6	139.2	141.8	0.1	17.6	0	0	0	109.2
150	L	44.6	Very low	49.5	Very low	152 Å²	152	126.7 Å²	126.7	80%	0.796	77%	0.765	S	S	*	*			trans	168.1	156.1	139.9	-91.7	161.8	0	0	0	112.9
151	H	52.2	Low	48.1	Very low	158 Å²	158	131.2 Å²	131.2	73%	0.731	78%	0.779	S	S	*	*			trans	74.3	91.3	168.6	-58.9	-67.1	0	0	0	120.6
152	P	46.5	Very low	46.7	Very low	136 Å²	136	130.5 Å²	130.5	88%	0.883	78%	0.782	S	S	*	*			trans	-87.1	105.4	150.9	33.2	-26.5	0	0	0	110.4
153	A	45.4	Very low	46.3	Very low	84 Å²	84	135.8 Å²	135.8	69%	0.694	80%	0.796	S	S	*	*			trans	-158.8	96.6	175.2	0	0	0	0	0	115.2
154	R	48.3	Very low	46	Very low	241 Å²	241	136.6 Å²	136.6	91%	0.909	80%	0.795	S	S	*	*				149.2	129.1	125.7	-86.3	179.1	148.9	177.6	-7.5	113.7
155	P	42	Very low	46.2	Very low	123 Å²	123	137.4 Å²	137.4	80%	0.799	80%	0.795	S	S	*	*			trans	-103.7	120.7	167.8	35.1	-26	0	0	0	112.2
156	L	45.8	Very low	46	Very low	153 Å²	153	142.2 Å²	142.2	80%	0.801	80%	0.804	S	S	*	*			trans	-152.9	109.7	161.6	-72.5	-179.2	0	0	0	106.3
157	Q	43.4	Very low	46.1	Very low	176 Å²	176	145.1 Å²	145.1	82%	0.822	81%	0.807	S	S	*	*				76.2	91.3	66.7	-167.3	177.3	42.9	0	0	113.7
158	M	48.6	Very low	46.3	Very low	184 Å²	184	143.9 Å²	143.9	91%	0.906	81%	0.807	S	S	*	*			trans	-168.6	98.5	153.5	-97.6	149.9	-170.4	0	0	106.1
159	A	39.8	Very low	46.3	Very low	99 Å²	99	142.4 Å²	142.4	82%	0.818	80%	0.802	S	S	*	*				73.1	91.8	78	0	0	0	0	0	112.8
160	A	47.3	Very low	46.2	Very low	100 Å²	100	145 Å²	145	83%	0.826	81%	0.808	S	S	*	*			trans	-152.8	86.6	166.9	0	0	0	0	0	110.5
161	E	46.6	Very low	46.4	Very low	167 Å²	167	148.9 Å²	148.9	78%	0.78	81%	0.813	S	S	*	*			trans	13.5	130.8	158.5	-57.8	-56.7	91.3	0	0	121.7
162	P	43	Very low	46	Very low	120 Å²	120	147.1 Å²	147.1	78%	0.779	82%	0.815	S	S	*	*			trans	-88.6	109.6	172.6	34.7	-30.7	0	0	0	112.4	S164	P162-S164 PolarHBondContact O-N 3.41Å; P162-S164 VanDerWaalsContact O-N 3.15Å
163	I	50.6	Low	46.1	Very low	165 Å²	165	147.6 Å²	147.6	85%	0.846	81%	0.805	S	S	*	*			trans	-84.1	94.3	171	-59.4	-179.4	0	0	0	110.2
164	S	49.8	Very low	46	Very low	117 Å²	117	149.7 Å²	149.7	82%	0.818	81%	0.809	S	S	*	*			trans	-68.8	122.7	165.2	179.2	0	0	0	0	110.8	P162	P162-S164 PolarHBondContact O-N 3.41Å; P162-S164 VanDerWaalsContact O-N 3.15Å
165	A	50.7	Low	45.9	Very low	84 Å²	84	144.8 Å²	144.8	69%	0.694	80%	0.796	S	S	*	*			trans	-164.1	113.8	152	0	0	0	0	0	113.9
166	R	42.2	Very low	45.8	Very low	230 Å²	230	147.7 Å²	147.7	87%	0.868	80%	0.796	S	S	*	*			trans	74.7	89.2	131.1	-153.5	171.3	-169.4	174.4	2.1	118.8
167	Q	45.5	Very low	45.3	Very low	184 Å²	184	147.8 Å²	147.8	86%	0.86	79%	0.793	S	S	*	*			trans	-54.8	152.7	144.6	-59.9	-179.9	9.6	0	0	110.7
168	P	49.4	Very low	45.5	Very low	117 Å²	117	143.7 Å²	143.7	76%	0.76	78%	0.781	S	S	*	*			trans	-124.7	121.1	137.8	2.8	18.6	0	0	0	113
169	A	46.7	Very low	45	Very low	82 Å²	82	143.6 Å²	143.6	68%	0.678	78%	0.778	S	S	*	*			trans	41.6	109.3	136.8	0	0	0	0	0	119.2	R171	A169-R171 PolarHBondContact O-N 2.95Å
170	L	42.1	Very low	45.2	Very low	173 Å²	173	146.5 Å²	146.5	91%	0.906	77%	0.772	S	S	*	*			trans	-39.1	127.2	150.3	-60.4	164	0	0	0	111.5
171	R	47.8	Very low	45.1	Very low	234 Å²	234	147.7 Å²	147.7	88%	0.883	77%	0.77	S	S	*	*			trans	-123.5	111.3	161.3	-82.4	-168	164.7	-162.5	-4.5	109.6	A169 H173	A169-R171 PolarHBondContact O-N 2.95Å; R171-H173 VanDerWaalsContact C-N 3.31Å; R171-H173 PolarHBondContact O-N 3.22Å
172	P	44.6	Very low	44.8	Very low	120 Å²	120	146 Å²	146	78%	0.779	77%	0.771	S	S	*	*			trans	-75.1	87.8	168.8	30.9	-31.4	0	0	0	108.4	V174	P172-V174 VanDerWaalsContact C-N 3.34Å; P172-V174 PolarHBondContact O-N 3.16Å
173	H	47.7	Very low	45	Very low	146 Å²	146	151.2 Å²	151.2	68%	0.676	78%	0.775	S	S	*	*			trans	-78.7	88.8	175	-162.6	45.5	0	0	0	110.5	R171 H175	R171-H173 VanDerWaalsContact C-N 3.31Å; R171-H173 PolarHBondContact O-N 3.22Å; H173-H175 AromaticContact CD2-ND1 3.73Å; H173-H175 AromaticContact CE1-ND1 3.49Å; H173-H175 PolarHBondContact CE1-ND1 2.86Å; H173-H175 AromaticContact NE2-CE1 3.7Å; H173-H175 AromaticContact NE2-CG 3.6Å; H173-H175 AromaticContact NE2-ND1 2.84Å; H173-H175 PolarHBondContact NE2-ND1 3.2Å; H173-H175 PolarHBondContact O-N 3.21Å
174	V	44.1	Very low	44.8	Very low	128 Å²	128	149.8 Å²	149.8	78%	0.776	77%	0.774	S	S	*	*			trans	-64.9	85.5	162.3	-178.8	0	0	0	0	107.9	P172	P172-V174 VanDerWaalsContact C-N 3.34Å; P172-V174 PolarHBondContact O-N 3.16Å
175	H	47.2	Very low	45.5	Very low	139 Å²	139	154.4 Å²	154.4	64%	0.644	77%	0.773	S	S	*	*			trans	-91.4	106.9	165.6	-140.4	67.6	0	0	0	108.3	H173 Q177	H173-H175 AromaticContact CD2-ND1 3.73Å; H173-H175 AromaticContact CE1-ND1 3.49Å; H173-H175 PolarHBondContact CE1-ND1 2.86Å; H173-H175 AromaticContact NE2-CE1 3.7Å; H173-H175 AromaticContact NE2-CG 3.6Å; H173-H175 AromaticContact NE2-ND1 2.84Å; H173-H175 PolarHBondContact NE2-ND1 3.2Å; H173-H175 PolarHBondContact O-N 3.21Å; H175-Q177 PolarHBondContact O-N 2.79Å
176	K	39.6	Very low	46.4	Very low	183 Å²	183	154.8 Å²	154.8	80%	0.796	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-49.1	132.8	167.8	-78	179.4	169.8	-178.3	0	108.5	P178	K176-P178 WeakPolarHBondContact O-CD 3.39Å; K176-P178 VanDerWaalsContact O-N 3.15Å
177	Q	34.7	Very low	47.9	Very low	156 Å²	156	150 Å²	150	73%	0.729	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-56.7	116.7	166.8	-66.6	-83.9	1.4	0	0	108	H175 E179	H175-Q177 PolarHBondContact O-N 2.79Å; Q177-E179 PolarHBondContact O-N 3.33Å
178	P	47	Very low	49.6	Very low	89 Å²	89	143.2 Å²	143.2	58%	0.578	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-68.5	120.1	150.8	30.6	-28.3	0	0	0	105.2	K176 K180	K176-P178 WeakPolarHBondContact O-CD 3.39Å; K176-P178 VanDerWaalsContact O-N 3.15Å; P178-K180 WeakPolarHBondContact O-CG 3.34Å; P178-K180 PolarHBondContact O-N 2.88Å
179	E	38.4	Very low	51.3	Low	182 Å²	182	143 Å²	143	85%	0.85	73%	0.725	S	S	*	*			trans	-52.6	100.9	-179.3	-166.6	171.7	108.2	0	0	109.8	Q177 T181	Q177-E179 PolarHBondContact O-N 3.33Å; E179-T181 VanDerWaalsContact C-N 3.3Å; E179-T181 PolarHBondContact O-N 2.74Å
180	K	44.5	Very low	53.2	Low	160 Å²	160	145.3 Å²	145.3	70%	0.696	72%	0.722	S	S	*	*			trans	-74.4	91.2	-176.6	-65.6	179	-172.1	171.2	0	106.9	P178 T182	P178-K180 WeakPolarHBondContact O-CG 3.34Å; P178-K180 PolarHBondContact O-N 2.88Å; K180-T182 PolarHBondContact O-N 3.11Å
181	T	45.4	Very low	55.5	Low	125 Å²	125	144.6 Å²	144.6	77%	0.767	71%	0.712	S	S	*	*			trans	-44.7	102.7	172	46.5	0	0	0	0	109	E179 R183	E179-T181 VanDerWaalsContact C-N 3.3Å; E179-T181 PolarHBondContact O-N 2.74Å; T181-R183 VanDerWaalsContact C-N 3.3Å; T181-R183 PolarHBondContact O-N 3.04Å
182	T	40.6	Very low	57.5	Low	133 Å²	133	135.4 Å²	135.4	82%	0.816	68%	0.679	S	S	*	*			trans	-69.4	93.8	-172.5	-19.5	0	0	0	0	106.6	K180 V184	K180-T182 PolarHBondContact O-N 3.11Å; T182-V184 PolarHBondContact O-N 2.87Å
183	R	46.4	Very low	59.7	Low	229 Å²	229	132 Å²	132	86%	0.864	65%	0.654	S	S	*	*			trans	-56.6	104.5	-170.2	-169	-176.9	-167.4	-179.8	9.1	109.1	T181 R185	T181-R183 VanDerWaalsContact C-N 3.3Å; T181-R183 PolarHBondContact O-N 3.04Å; R183-R185 PolarHBondContact O-N 3.3Å
184	V	47.2	Very low	61.8	Low	135 Å²	135	130.8 Å²	130.8	82%	0.818	65%	0.648	S	S	*	*			trans	-54.5	115.4	-175.4	178.3	0	0	0	0	107.6	T182 T186	T182-V184 PolarHBondContact O-N 2.87Å; V184-T186 PolarHBondContact O-N 3.12Å
185	R	63.7	Low	64.1	Low	213 Å²	213	125.9 Å²	125.9	80%	0.804	62%	0.618	S	S	*	*			trans	-72.2	115.8	-177.7	-174.7	177.4	-170.3	143.1	2.5	107.2	R183 V187	R183-R185 PolarHBondContact O-N 3.3Å; R185-V187 PolarHBondContact O-N 3.38Å
186	T	70.4	Confident	66.3	Low	92 Å²	92	119.3 Å²	119.3	56%	0.564	59%	0.588	S	S	*	*			trans	-53.6	114.7	173.2	-39.5	0	0	0	0	108.8	V184	V184-T186 PolarHBondContact O-N 3.12Å
187	V	73.8	Confident	68.9	Low	130 Å²	130	117.7 Å²	117.7	79%	0.788	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-79.9	124.9	171.5	-176.9	0	0	0	0	106.2	R185	R185-V187 PolarHBondContact O-N 3.38Å
188	L	80.7	Confident	71.6	Confident	41 Å²	41	114 Å²	114	22%	0.215	57%	0.565	C	S	.	*	P	Polyproline II helix	trans	-83.2	126.7	173	-73.1	75.9	0	0	0	107.3	Q192 L196 L220 V224	L188-Q192 HydrophobicContact CB-CB 4.44Å; L188-L196 HydrophobicContact CD2-CD1 3.42Å; L188-L196 VanDerWaalsContact CD2-CD1 3.42Å; L188-L220 HydrophobicContact CD2-CD1 3.67Å; L188-L220 HydrophobicContact CG-CD1 4.06Å; L188-V224 HydrophobicContact CD1-CG1 4.46Å
189	N	85.6	Confident	73.8	Confident	114 Å²	114	110.6 Å²	110.6	61%	0.61	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-66.5	158.8	177.4	-165.2	1	0	0	0	110.6	K191 Q192 L193	N189-K191 VanDerWaalsContact C-N 3.33Å; N189-K191 PolarHBondContact O-N 2.92Å; N189-Q192 HydrophobicContact CB-CG 4.48Å; N189-Q192 WeakPolarHBondContact O-CB 3.32Å; N189-Q192 PolarHBondContact O-N 3.46Å; N189-L193 PolarHBondContact O-N 3.39Å
190	E	86.5	Confident	76.4	Confident	129 Å²	129	103.2 Å²	103.2	60%	0.603	51%	0.508	S	S	*	.	H	α-helix	trans	-55.7	-45.4	-175.3	-173.4	173.9	91.4	0	0	112.2	Q192 L193 H194	E190-Q192 VanDerWaalsContact C-N 3.34Å; E190-Q192 PolarHBondContact O-N 2.88Å; E190-L193 CarbonylContact O-C 3.59Å; E190-L193 PolarHBondContact O-N 3.32Å; E190-L193 VanDerWaalsContact O-N 3.13Å; E190-H194 WeakPolarHBondContact O-CB 3.39Å; E190-H194 PolarHBondContact O-N 2.97Å
191	K	88.8	Confident	78.6	Confident	159 Å²	159	99.7 Å²	99.7	69%	0.691	51%	0.508	S	S	*	.	H	α-helix	trans	-53.4	-48.6	174	-175.6	-177.9	178	-175	0	112.1	N189 L193 H194 T195	N189-K191 VanDerWaalsContact C-N 3.33Å; N189-K191 PolarHBondContact O-N 2.92Å; K191-L193 VanDerWaalsContact C-N 3.34Å; K191-L193 PolarHBondContact O-N 3.26Å; K191-H194 PolarHBondContact O-N 2.81Å; K191-T195 PolarHBondContact O-N 3.32Å; K191-T195 PolarHBondContact O-OG1 3.15Å; K191-T195 VanDerWaalsContact O-OG1 3.1Å
192	Q	90.6	Very high	80.9	Confident	41 Å²	41	98 Å²	98	19%	0.192	51%	0.507	C	S	.	.	H	α-helix	trans	-63.6	-41.9	179	-62.4	172.8	-36.1	0	0	111.1	L188 N189 E190 L196 T218 L220	L188-Q192 HydrophobicContact CB-CB 4.44Å; N189-Q192 HydrophobicContact CB-CG 4.48Å; N189-Q192 WeakPolarHBondContact O-CB 3.32Å; N189-Q192 PolarHBondContact O-N 3.46Å; E190-Q192 VanDerWaalsContact C-N 3.34Å; E190-Q192 PolarHBondContact O-N 2.88Å; Q192-L196 WeakPolarHBondContact O-CB 3.4Å; Q192-L196 WeakPolarHBondContact O-CD1 3.31Å; Q192-L196 VanDerWaalsContact O-CG 3.24Å; Q192-L196 WeakPolarHBondContact O-CG 3.43Å; Q192-L196 PolarHBondContact O-N 3.37Å; Q192-L196 VanDerWaalsContact O-N 3.09Å; Q192-T218 PolarHBondContact NE2-O 3.37Å; Q192-L220 HydrophobicContact CB-CD1 4.18Å
193	L	91.4	Very high	83.1	Confident	48 Å²	48	94.7 Å²	94.7	25%	0.251	48%	0.484	S	S	.	.	H	α-helix	trans	-68.7	-35.8	179.4	-173	58.7	0	0	0	112.1	N189 E190 K191 R197 W228	N189-L193 PolarHBondContact O-N 3.39Å; E190-L193 CarbonylContact O-C 3.59Å; E190-L193 PolarHBondContact O-N 3.32Å; E190-L193 VanDerWaalsContact O-N 3.13Å; K191-L193 VanDerWaalsContact C-N 3.34Å; K191-L193 PolarHBondContact O-N 3.26Å; L193-R197 WeakPolarHBondContact O-CB 3.41Å; L193-R197 WeakPolarHBondContact O-CG 3.41Å; L193-R197 PolarHBondContact O-N 3.25Å; L193-W228 HydrophobicContact CD1-CZ2 4.03Å
194	H	90.8	Very high	85.3	Confident	121 Å²	121	86.3 Å²	86.3	56%	0.56	46%	0.459	S	S	*	.	H	α-helix	trans	-63	-55.3	173.2	-178.2	96.2	0	0	0	110.5	E190 K191 L196 R197 T198	E190-H194 WeakPolarHBondContact O-CB 3.39Å; E190-H194 PolarHBondContact O-N 2.97Å; K191-H194 PolarHBondContact O-N 2.81Å; H194-L196 VanDerWaalsContact C-N 3.29Å; H194-L196 PolarHBondContact O-N 2.96Å; H194-R197 WeakPolarHBondContact O-CB 3.34Å; H194-R197 PolarHBondContact O-N 3.46Å; H194-T198 PolarHBondContact NE2-OG1 2.89Å; H194-T198 PolarHBondContact O-N 3.36Å; H194-T198 PolarHBondContact O-OG1 2.9Å; H194-T198 VanDerWaalsContact O-OG1 3.11Å
195	T	92.7	Very high	87.4	Confident	25 Å²	25	88.6 Å²	88.6	15%	0.153	45%	0.453	C	S	.	.	H	α-helix	trans	-53.5	-44.5	178.1	-55.8	0	0	0	0	112.2	K191 T198 C199 L214 M217 T218	K191-T195 PolarHBondContact O-N 3.32Å; K191-T195 PolarHBondContact O-OG1 3.15Å; K191-T195 VanDerWaalsContact O-OG1 3.1Å; T195-T198 PolarHBondContact O-N 3.3Å; T195-C199 WeakPolarHBondContact O-CB 3.4Å; T195-C199 PolarHBondContact O-N 2.95Å; T195-L214 HydrophobicContact CG2-CD2 3.86Å; T195-M217 HydrophobicContact CG2-CB 4.32Å; T195-M217 HydrophobicContact CG2-CE 4.12Å; T195-M217 HydrophobicContact CG2-SD 4.48Å; T195-T218 HydrophobicContact CG2-CG2 3.9Å
196	L	94.2	Very high	88.6	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-66.2	-38.4	177.2	-69.4	168.4	0	0	0	113	L188 Q192 H194 Y200 L214 L220 I225 W228 F229	L188-L196 HydrophobicContact CD2-CD1 3.42Å; L188-L196 VanDerWaalsContact CD2-CD1 3.42Å; Q192-L196 WeakPolarHBondContact O-CB 3.4Å; Q192-L196 WeakPolarHBondContact O-CD1 3.31Å; Q192-L196 VanDerWaalsContact O-CG 3.24Å; Q192-L196 WeakPolarHBondContact O-CG 3.43Å; Q192-L196 PolarHBondContact O-N 3.37Å; Q192-L196 VanDerWaalsContact O-N 3.09Å; H194-L196 VanDerWaalsContact C-N 3.29Å; H194-L196 PolarHBondContact O-N 2.96Å; L196-Y200 VanDerWaalsContact O-CB 3.26Å; L196-Y200 WeakPolarHBondContact O-CB 3.48Å; L196-Y200 PolarHBondContact O-N 2.72Å; L196-L214 HydrophobicContact CD2-CD1 4.42Å; L196-L214 HydrophobicContact CD2-CD2 4.45Å; L196-L220 HydrophobicContact CD1-CD1 3.93Å; L196-I225 HydrophobicContact CD2-CG1 4.46Å; L196-I225 HydrophobicContact CD2-CG2 3.99Å; L196-W228 VanDerWaalsContact C-CH2 3.46Å; L196-W228 HydrophobicContact CB-CD2 3.98Å; L196-W228 HydrophobicContact CB-CE3 4Å; L196-W228 HydrophobicContact CB-CH2 3.74Å; L196-W228 HydrophobicContact CB-CZ2 3.67Å; L196-W228 HydrophobicContact CB-CZ3 3.89Å; L196-W228 HydrophobicContact CD1-CD2 3.95Å; L196-W228 HydrophobicContact CD1-CG 3.9Å; L196-W228 HydrophobicContact CD2-CE3 4.36Å; L196-W228 HydrophobicContact CG-CD2 4.39Å; L196-W228 VanDerWaalsContact O-CH2 3.28Å; L196-W228 WeakPolarHBondContact O-CH2 3.36Å; L196-W228 WeakPolarHBondContact O-CZ3 3.48Å; L196-F229 HydrophobicContact CD2-CD2 4.42Å; L196-F229 HydrophobicContact CD2-CE2 3.78Å
197	R	92.7	Very high	89.6	Confident	150 Å²	150	80.3 Å²	80.3	57%	0.566	42%	0.422	S	S	*	.	H	α-helix	trans	-65.5	-46	175.2	-76.2	173.7	-170.1	-163.3	11.8	111.7	L193 H194 Y200 A201 W228	L193-R197 WeakPolarHBondContact O-CB 3.41Å; L193-R197 WeakPolarHBondContact O-CG 3.41Å; L193-R197 PolarHBondContact O-N 3.25Å; H194-R197 WeakPolarHBondContact O-CB 3.34Å; H194-R197 PolarHBondContact O-N 3.46Å; R197-Y200 PolarHBondContact O-N 3.26Å; R197-A201 PolarHBondContact O-N 2.77Å; R197-W228 HydrophobicContact CG-CH2 4.44Å; R197-W228 HydrophobicContact CG-CZ2 4.24Å
198	T	92.3	Very high	90.4	Very high	78 Å²	78	76.8 Å²	76.8	48%	0.479	41%	0.407	S	S	.	.	H	α-helix	trans	-62.6	-47.6	179.7	-55.1	0	0	0	0	110.7	H194 T195 Y200 A201 A202	H194-T198 PolarHBondContact NE2-OG1 2.89Å; H194-T198 PolarHBondContact O-N 3.36Å; H194-T198 PolarHBondContact O-OG1 2.9Å; H194-T198 VanDerWaalsContact O-OG1 3.11Å; T195-T198 PolarHBondContact O-N 3.3Å; T198-Y200 VanDerWaalsContact C-N 3.34Å; T198-Y200 PolarHBondContact O-N 3.06Å; T198-A201 PolarHBondContact O-N 3.42Å; T198-A202 PolarHBondContact O-N 3.44Å; T198-A202 VanDerWaalsContact O-N 3.15Å
199	C	92.3	Very high	91	Very high	17 Å²	17	81.2 Å²	81.2	12%	0.115	43%	0.43	C	S	.	.	H	α-helix	trans	-62.9	-38.7	175.3	-175.4	0	0	0	0	112.4	T195 A201 A202 N203 L214 F229	T195-C199 WeakPolarHBondContact O-CB 3.4Å; T195-C199 PolarHBondContact O-N 2.95Å; C199-A201 VanDerWaalsContact C-N 3.35Å; C199-A201 PolarHBondContact O-N 2.8Å; C199-A202 PolarHBondContact O-N 3.19Å; C199-N203 CarbonylContact O-C 3.49Å; C199-N203 PolarHBondContact O-N 2.91Å; C199-L214 HydrophobicContact CB-CD1 4.28Å; C199-L214 HydrophobicContact CB-CD2 3.84Å; C199-F229 HydrophobicContact CB-CZ 4.25Å
200	Y	94	Very high	91.2	Very high	28 Å²	28	79.4 Å²	79.4	11%	0.11	42%	0.419	C	S	.	.	H	α-helix	trans	-64.5	-35.8	175.6	-176.7	-93.8	0	0	0	113.8	L196 R197 T198 N203 P204 W228 F229 K232 R233 D236	L196-Y200 VanDerWaalsContact O-CB 3.26Å; L196-Y200 WeakPolarHBondContact O-CB 3.48Å; L196-Y200 PolarHBondContact O-N 2.72Å; R197-Y200 PolarHBondContact O-N 3.26Å; T198-Y200 VanDerWaalsContact C-N 3.34Å; T198-Y200 PolarHBondContact O-N 3.06Å; Y200-N203 CarbonylContact O-C 3.58Å; Y200-P204 HydrophobicContact CD2-CB 4.24Å; Y200-P204 HydrophobicContact CE2-CB 3.77Å; Y200-P204 WeakPolarHBondContact O-CD 3.47Å; Y200-P204 WeakPolarHBondContact O-CG 3.44Å; Y200-W228 HydrophobicContact CD2-CZ3 4.27Å; Y200-W228 HydrophobicContact CG-CH2 4.48Å; Y200-W228 HydrophobicContact CG-CZ3 4.28Å; Y200-F229 AromaticContact CD2-CD1 3.72Å; Y200-F229 HydrophobicContact CD2-CD1 3.72Å; Y200-F229 AromaticContact CD2-CE1 3.75Å; Y200-F229 HydrophobicContact CD2-CE1 3.75Å; Y200-F229 HydrophobicContact CE2-CD1 4.47Å; Y200-F229 HydrophobicContact CG-CE1 4.35Å; Y200-K232 HydrophobicContact CD1-CD 4.46Å; Y200-K232 HydrophobicContact CD1-CG 3.89Å; Y200-K232 HydrophobicContact CD2-CB 4.38Å; Y200-K232 HydrophobicContact CD2-CG 3.7Å; Y200-K232 HydrophobicContact CE1-CD 4.26Å; Y200-K232 HydrophobicContact CE1-CG 3.7Å; Y200-K232 HydrophobicContact CE2-CB 4.15Å; Y200-K232 HydrophobicContact CE2-CG 3.52Å; Y200-K232 HydrophobicContact CG-CG 3.87Å; Y200-R233 HydrophobicContact CE2-CG 3.82Å; Y200-D236 WeakPolarHBondContact CE1-OD2 3.41Å; Y200-D236 VanDerWaalsContact CZ-OD2 3.25Å; Y200-D236 PolarHBondContact OH-OD2 3.04Å
201	A	91.2	Very high	91.5	Very high	85 Å²	85	76.3 Å²	76.3	70%	0.702	40%	0.403	S	S	*	.	H	α-helix	trans	-67.2	-38.8	176	0	0	0	0	0	111.7	R197 T198 C199	R197-A201 PolarHBondContact O-N 2.77Å; T198-A201 PolarHBondContact O-N 3.42Å; C199-A201 VanDerWaalsContact C-N 3.35Å; C199-A201 PolarHBondContact O-N 2.8Å
202	A	91.9	Very high	91.6	Very high	90 Å²	90	74.9 Å²	74.9	74%	0.744	40%	0.399	S	S	*	.	H	α-helix	trans	-73.2	-43.7	175.2	0	0	0	0	0	112.8	T198 C199	T198-A202 PolarHBondContact O-N 3.44Å; T198-A202 VanDerWaalsContact O-N 3.15Å; C199-A202 PolarHBondContact O-N 3.19Å
203	N	88.7	Confident	91.7	Very high	64 Å²	64	77.5 Å²	77.5	34%	0.342	41%	0.411	S	S	.	.			trans	-147.8	105.2	178	-174.7	-7.3	0	0	0	112	C199 Y200 R205 P206	C199-N203 CarbonylContact O-C 3.49Å; C199-N203 PolarHBondContact O-N 2.91Å; Y200-N203 CarbonylContact O-C 3.58Å; N203-R205 PolarHBondContact ND2-O 3.22Å; N203-R205 PolarHBondContact O-N 2.76Å; N203-R205 VanDerWaalsContact O-N 3.12Å; N203-R205 WeakPolarHBondContact OD1-CA 3.42Å; N203-R205 PolarHBondContact OD1-N 3.13Å; N203-R205 PolarHBondContact OD1-O 3.01Å; N203-R205 VanDerWaalsContact OD1-O 3.11Å; N203-P206 WeakPolarHBondContact O-CD 3.19Å
204	P	91.3	Very high	91.8	Very high	52 Å²	52	75.4 Å²	75.4	34%	0.338	40%	0.4	S	S	.	.	S	Bend	trans	-64.4	-12.6	176.1	-25.2	35	0	0	0	115.6	Y200 R233	Y200-P204 HydrophobicContact CD2-CB 4.24Å; Y200-P204 HydrophobicContact CE2-CB 3.77Å; Y200-P204 WeakPolarHBondContact O-CD 3.47Å; Y200-P204 WeakPolarHBondContact O-CG 3.44Å; P204-R233 WeakPolarHBondContact O-CD 3.12Å
205	R	91.5	Very high	91.9	Very high	183 Å²	183	71.6 Å²	71.6	69%	0.691	39%	0.385	S	S	*	.	S	Bend	trans	-131	71.2	177.6	-68.2	-175.1	177.9	82.2	-8.1	109.5	N203	N203-R205 PolarHBondContact ND2-O 3.22Å; N203-R205 PolarHBondContact O-N 2.76Å; N203-R205 VanDerWaalsContact O-N 3.12Å; N203-R205 WeakPolarHBondContact OD1-CA 3.42Å; N203-R205 PolarHBondContact OD1-N 3.13Å; N203-R205 PolarHBondContact OD1-O 3.01Å; N203-R205 VanDerWaalsContact OD1-O 3.11Å
206	P	89.1	Confident	91.9	Very high	9 Å²	9	78.1 Å²	78.1	6%	0.058	41%	0.414	C	S	.	.			trans	-59.7	143.4	179.5	27.3	-36	0	0	0	110.3	N203 M210 K211 F229	N203-P206 WeakPolarHBondContact O-CD 3.19Å; P206-M210 HydrophobicContact CB-CB 3.89Å; P206-M210 HydrophobicContact CB-CG 3.56Å; P206-K211 HydrophobicContact CB-CG 4.37Å; P206-K211 HydrophobicContact CG-CG 4.18Å; P206-K211 WeakPolarHBondContact O-CE 3.24Å; P206-K211 PolarHBondContact O-NZ 3.2Å; P206-F229 HydrophobicContact CG-CD1 3.72Å; P206-F229 HydrophobicContact CG-CD2 4.32Å; P206-F229 HydrophobicContact CG-CE1 3.56Å; P206-F229 HydrophobicContact CG-CE2 4.19Å; P206-F229 HydrophobicContact CG-CG 4.12Å; P206-F229 HydrophobicContact CG-CZ 3.82Å
207	D	91.5	Very high	91.8	Very high	122 Å²	122	83.1 Å²	83.1	65%	0.652	44%	0.439	S	S	*	.			trans	-79.6	-175.3	178.4	-160.2	7.7	0	0	0	112.2	K211	D207-K211 VanDerWaalsContact O-CG 3.29Å; D207-K211 WeakPolarHBondContact O-CG 3.24Å; D207-K211 PolarHBondContact O-N 3.49Å; D207-K211 VanDerWaalsContact O-N 3.11Å; D207-K211 PolarHBondContact O-NZ 2.77Å
208	A	90.9	Very high	91.7	Very high	57 Å²	57	76.5 Å²	76.5	47%	0.471	42%	0.415	S	S	.	.	H	α-helix	trans	-56.9	-58	-179.3	0	0	0	0	0	111.9	M210 K211 E212	A208-M210 VanDerWaalsContact C-N 3.34Å; A208-M210 PolarHBondContact O-N 3.44Å; A208-K211 WeakPolarHBondContact O-CA 3.37Å; A208-K211 WeakPolarHBondContact O-CB 3.23Å; A208-K211 PolarHBondContact O-N 3.32Å; A208-E212 PolarHBondContact O-N 2.84Å
209	L	91.8	Very high	91.7	Very high	134 Å²	134	76 Å²	76	70%	0.702	43%	0.426	S	S	*	.	H	α-helix	trans	-54.8	-45.9	179.9	-176.7	67.5	0	0	0	112.6	K211 E212 Q213	L209-K211 VanDerWaalsContact C-N 3.28Å; L209-K211 PolarHBondContact O-N 2.91Å; L209-E212 PolarHBondContact O-N 3.1Å; L209-E212 VanDerWaalsContact O-N 3.1Å; L209-Q213 PolarHBondContact O-N 2.9Å
210	M	91.2	Very high	91.6	Very high	75 Å²	75	75.8 Å²	75.8	37%	0.369	42%	0.423	S	S	.	.	H	α-helix	trans	-63.6	-32.5	177.6	-173.2	66.9	64.7	0	0	112.1	P206 A208 L214	P206-M210 HydrophobicContact CB-CB 3.89Å; P206-M210 HydrophobicContact CB-CG 3.56Å; A208-M210 VanDerWaalsContact C-N 3.34Å; A208-M210 PolarHBondContact O-N 3.44Å; M210-L214 WeakPolarHBondContact O-CB 3.41Å; M210-L214 VanDerWaalsContact O-CG 3.23Å; M210-L214 WeakPolarHBondContact O-CG 3.43Å; M210-L214 PolarHBondContact O-N 2.94Å; M210-L214 VanDerWaalsContact O-N 3.11Å
211	K	91.4	Very high	91.6	Very high	65 Å²	65	77.4 Å²	77.4	28%	0.283	44%	0.439	S	S	.	.	H	α-helix	trans	-70.6	-36.7	173.1	-71	176.8	-150.2	80	0	111.7	P206 D207 A208 L209 L214 V215 R226	P206-K211 HydrophobicContact CB-CG 4.37Å; P206-K211 HydrophobicContact CG-CG 4.18Å; P206-K211 WeakPolarHBondContact O-CE 3.24Å; P206-K211 PolarHBondContact O-NZ 3.2Å; D207-K211 VanDerWaalsContact O-CG 3.29Å; D207-K211 WeakPolarHBondContact O-CG 3.24Å; D207-K211 PolarHBondContact O-N 3.49Å; D207-K211 VanDerWaalsContact O-N 3.11Å; D207-K211 PolarHBondContact O-NZ 2.77Å; A208-K211 WeakPolarHBondContact O-CA 3.37Å; A208-K211 WeakPolarHBondContact O-CB 3.23Å; A208-K211 PolarHBondContact O-N 3.32Å; L209-K211 VanDerWaalsContact C-N 3.28Å; L209-K211 PolarHBondContact O-N 2.91Å; K211-L214 PolarHBondContact O-N 3.47Å; K211-V215 WeakPolarHBondContact O-CG2 3.39Å; K211-V215 PolarHBondContact O-N 2.68Å; K211-R226 HydrophobicContact CD-CG 4.15Å
212	E	92.4	Very high	91.6	Very high	128 Å²	128	76.9 Å²	76.9	60%	0.598	43%	0.428	S	S	*	.	H	α-helix	trans	-67.7	-45.4	177.8	-68.5	176.3	136.1	0	0	111.1	A208 L209 L214 V215 E216	A208-E212 PolarHBondContact O-N 2.84Å; L209-E212 PolarHBondContact O-N 3.1Å; L209-E212 VanDerWaalsContact O-N 3.1Å; E212-L214 VanDerWaalsContact C-N 3.27Å; E212-L214 PolarHBondContact O-N 2.71Å; E212-V215 WeakPolarHBondContact O-CA 3.43Å; E212-V215 WeakPolarHBondContact O-CB 3.36Å; E212-V215 PolarHBondContact O-N 2.7Å; E212-E216 PolarHBondContact O-N 2.91Å
213	Q	92.4	Very high	91.7	Very high	97 Å²	97	80.7 Å²	80.7	45%	0.453	42%	0.423	S	S	.	.	H	α-helix	trans	-57.6	-39.6	171.6	-168.5	-179.6	17.3	0	0	111.9	L209 E216 M217	L209-Q213 PolarHBondContact O-N 2.9Å; Q213-E216 PolarHBondContact O-N 3.33Å; Q213-M217 HydrophobicContact CG-CG 4.33Å; Q213-M217 HydrophobicContact CG-SD 4Å; Q213-M217 WeakPolarHBondContact O-CB 3.44Å; Q213-M217 VanDerWaalsContact O-CG 3.23Å; Q213-M217 WeakPolarHBondContact O-CG 3.44Å; Q213-M217 PolarHBondContact O-N 3.01Å
214	L	92.8	Very high	91.8	Very high	4 Å²	4	79.4 Å²	79.4	2%	0.021	42%	0.418	C	S	.	.	H	α-helix	trans	-66.5	-33.7	173.5	-74.6	172.5	0	0	0	113.4	T195 L196 C199 M210 K211 E212 T218 I225 F229	T195-L214 HydrophobicContact CG2-CD2 3.86Å; L196-L214 HydrophobicContact CD2-CD1 4.42Å; L196-L214 HydrophobicContact CD2-CD2 4.45Å; C199-L214 HydrophobicContact CB-CD1 4.28Å; C199-L214 HydrophobicContact CB-CD2 3.84Å; M210-L214 WeakPolarHBondContact O-CB 3.41Å; M210-L214 VanDerWaalsContact O-CG 3.23Å; M210-L214 WeakPolarHBondContact O-CG 3.43Å; M210-L214 PolarHBondContact O-N 2.94Å; M210-L214 VanDerWaalsContact O-N 3.11Å; K211-L214 PolarHBondContact O-N 3.47Å; E212-L214 VanDerWaalsContact C-N 3.27Å; E212-L214 PolarHBondContact O-N 2.71Å; L214-T218 WeakPolarHBondContact O-CB 3.37Å; L214-T218 WeakPolarHBondContact O-CG2 3.26Å; L214-T218 PolarHBondContact O-N 3.32Å; L214-T218 VanDerWaalsContact O-N 3.09Å; L214-T218 PolarHBondContact O-OG1 2.72Å; L214-I225 VanDerWaalsContact C-CD1 3.44Å; L214-I225 HydrophobicContact CB-CD1 3.82Å; L214-I225 HydrophobicContact CB-CG2 4.25Å; L214-I225 HydrophobicContact CD1-CG2 3.99Å; L214-I225 WeakPolarHBondContact O-CD1 3.39Å; L214-F229 HydrophobicContact CD1-CE2 3.66Å; L214-F229 HydrophobicContact CD1-CZ 3.93Å
215	V	94.5	Very high	91.9	Very high	40 Å²	40	77 Å²	77	24%	0.242	40%	0.402	C	S	.	.	H	α-helix	trans	-62.1	-49	173.8	168.6	0	0	0	0	109.5	K211 E212 G219 P222 I225	K211-V215 WeakPolarHBondContact O-CG2 3.39Å; K211-V215 PolarHBondContact O-N 2.68Å; E212-V215 WeakPolarHBondContact O-CA 3.43Å; E212-V215 WeakPolarHBondContact O-CB 3.36Å; E212-V215 PolarHBondContact O-N 2.7Å; V215-G219 WeakPolarHBondContact O-CA 3.34Å; V215-G219 PolarHBondContact O-N 2.8Å; V215-P222 HydrophobicContact CG2-CB 4.12Å; V215-P222 HydrophobicContact CG2-CG 3.81Å; V215-I225 HydrophobicContact CB-CD1 4.31Å; V215-I225 HydrophobicContact CG2-CD1 3.73Å
216	E	92.6	Very high	91.9	Very high	162 Å²	162	75.2 Å²	75.2	76%	0.757	40%	0.395	S	S	*	.	H	α-helix	trans	-61.2	-52.6	177.9	-172.5	178.6	-168.2	0	0	111.9	E212 Q213 T218	E212-E216 PolarHBondContact O-N 2.91Å; Q213-E216 PolarHBondContact O-N 3.33Å; E216-T218 VanDerWaalsContact C-N 3.3Å; E216-T218 PolarHBondContact O-N 3Å
217	M	90.7	Very high	92.1	Very high	106 Å²	106	77.4 Å²	77.4	52%	0.522	41%	0.408	S	S	.	.	H	α-helix	trans	-65.1	-27.4	-177.8	-70.9	-179.8	77.4	0	0	114.5	T195 Q213	T195-M217 HydrophobicContact CG2-CB 4.32Å; T195-M217 HydrophobicContact CG2-CE 4.12Å; T195-M217 HydrophobicContact CG2-SD 4.48Å; Q213-M217 HydrophobicContact CG-CG 4.33Å; Q213-M217 HydrophobicContact CG-SD 4Å; Q213-M217 WeakPolarHBondContact O-CB 3.44Å; Q213-M217 VanDerWaalsContact O-CG 3.23Å; Q213-M217 WeakPolarHBondContact O-CG 3.44Å; Q213-M217 PolarHBondContact O-N 3.01Å
218	T	91.3	Very high	92.2	Very high	10 Å²	10	73.4 Å²	73.4	6%	0.061	38%	0.384	C	S	.	.	H	α-helix	trans	-108.1	-15.6	-175.3	66.9	0	0	0	0	114.3	Q192 T195 L214 E216 L220	Q192-T218 PolarHBondContact NE2-O 3.37Å; T195-T218 HydrophobicContact CG2-CG2 3.9Å; L214-T218 WeakPolarHBondContact O-CB 3.37Å; L214-T218 WeakPolarHBondContact O-CG2 3.26Å; L214-T218 PolarHBondContact O-N 3.32Å; L214-T218 VanDerWaalsContact O-N 3.09Å; L214-T218 PolarHBondContact O-OG1 2.72Å; E216-T218 VanDerWaalsContact C-N 3.3Å; E216-T218 PolarHBondContact O-N 3Å; T218-L220 PolarHBondContact O-N 3.25Å; T218-L220 WeakPolarHBondContact OG1-CB 3.46Å; T218-L220 WeakPolarHBondContact OG1-CG 3.36Å; T218-L220 PolarHBondContact OG1-N 2.87Å
219	G	91.7	Very high	92.4	Very high	69 Å²	69	71 Å²	71	71%	0.711	36%	0.363	S	S	*	.			trans	64.9	12.9	-170	0	0	0	0	0	114	V215	V215-G219 WeakPolarHBondContact O-CA 3.34Å; V215-G219 PolarHBondContact O-N 2.8Å
220	L	91.6	Very high	92.4	Very high	11 Å²	11	69.9 Å²	69.9	6%	0.058	35%	0.354	C	S	.	.			trans	-91.8	139.5	-177.5	-64.1	174.8	0	0	0	111.1	L188 Q192 L196 T218 V224 I225	L188-L220 HydrophobicContact CD2-CD1 3.67Å; L188-L220 HydrophobicContact CG-CD1 4.06Å; Q192-L220 HydrophobicContact CB-CD1 4.18Å; L196-L220 HydrophobicContact CD1-CD1 3.93Å; T218-L220 PolarHBondContact O-N 3.25Å; T218-L220 WeakPolarHBondContact OG1-CB 3.46Å; T218-L220 WeakPolarHBondContact OG1-CG 3.36Å; T218-L220 PolarHBondContact OG1-N 2.87Å; L220-V224 HydrophobicContact CB-CB 4.4Å; L220-V224 HydrophobicContact CB-CG1 4.29Å; L220-V224 HydrophobicContact CD1-CG1 4.13Å; L220-V224 HydrophobicContact CD2-CG1 4.26Å; L220-V224 HydrophobicContact CG-CG1 4.48Å; L220-I225 HydrophobicContact CB-CD1 4.09Å; L220-I225 HydrophobicContact CB-CG1 3.86Å
221	S	92.4	Very high	92.5	Very high	62 Å²	62	70.5 Å²	70.5	43%	0.434	36%	0.359	S	S	.	.			trans	-57.7	147.7	177.9	70.3	0	0	0	0	112.6	R223 V224 I225	S221-R223 PolarHBondContact O-N 2.93Å; S221-V224 PolarHBondContact O-N 2.97Å; S221-V224 WeakPolarHBondContact OG-CG2 3.44Å; S221-V224 PolarHBondContact OG-N 3.22Å; S221-I225 PolarHBondContact O-N 2.91Å
222	P	92.6	Very high	92.6	Very high	74 Å²	74	70.2 Å²	70.2	48%	0.481	36%	0.358	S	S	.	.	H	α-helix	trans	-55.2	-20.4	177.8	-22.4	26.4	0	0	0	114.3	V215 R226	V215-P222 HydrophobicContact CG2-CB 4.12Å; V215-P222 HydrophobicContact CG2-CG 3.81Å; P222-R226 WeakPolarHBondContact O-CB 3.44Å; P222-R226 WeakPolarHBondContact O-CG 3.37Å; P222-R226 PolarHBondContact O-N 3.06Å; P222-R226 PolarHBondContact O-NE 3.48Å
223	R	92.3	Very high	92.6	Very high	171 Å²	171	68.6 Å²	68.6	65%	0.645	35%	0.346	S	S	*	.	H	α-helix	trans	-75.9	-45.1	173.4	-173.7	178	-179.1	95.7	4.3	112	S221 I225 R226 V227	S221-R223 PolarHBondContact O-N 2.93Å; R223-I225 VanDerWaalsContact C-N 3.32Å; R223-I225 PolarHBondContact O-N 3.45Å; R223-R226 PolarHBondContact O-N 2.83Å; R223-V227 HydrophobicContact CG-CG2 4.35Å; R223-V227 WeakPolarHBondContact O-CB 3.47Å; R223-V227 VanDerWaalsContact O-CG2 3.28Å; R223-V227 WeakPolarHBondContact O-CG2 3.27Å; R223-V227 PolarHBondContact O-N 3.36Å
224	V	92.2	Very high	92.6	Very high	37 Å²	37	67.7 Å²	67.7	22%	0.224	35%	0.35	C	S	.	.	H	α-helix	trans	-60.9	-44.3	179.6	171	0	0	0	0	110.2	L188 L220 S221 V227 W228	L188-V224 HydrophobicContact CD1-CG1 4.46Å; L220-V224 HydrophobicContact CB-CB 4.4Å; L220-V224 HydrophobicContact CB-CG1 4.29Å; L220-V224 HydrophobicContact CD1-CG1 4.13Å; L220-V224 HydrophobicContact CD2-CG1 4.26Å; L220-V224 HydrophobicContact CG-CG1 4.48Å; S221-V224 PolarHBondContact O-N 2.97Å; S221-V224 WeakPolarHBondContact OG-CG2 3.44Å; S221-V224 PolarHBondContact OG-N 3.22Å; V224-V227 PolarHBondContact O-N 3.06Å; V224-W228 WeakPolarHBondContact O-CB 3.44Å; V224-W228 PolarHBondContact O-N 3.35Å
225	I	92.2	Very high	92.3	Very high	1 Å²	1	75.1 Å²	75.1	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-64.6	-47.5	179.8	-56.4	-172.3	0	0	0	111.1	L196 L214 V215 L220 S221 R223 V227 W228 F229	L196-I225 HydrophobicContact CD2-CG1 4.46Å; L196-I225 HydrophobicContact CD2-CG2 3.99Å; L214-I225 VanDerWaalsContact C-CD1 3.44Å; L214-I225 HydrophobicContact CB-CD1 3.82Å; L214-I225 HydrophobicContact CB-CG2 4.25Å; L214-I225 HydrophobicContact CD1-CG2 3.99Å; L214-I225 WeakPolarHBondContact O-CD1 3.39Å; V215-I225 HydrophobicContact CB-CD1 4.31Å; V215-I225 HydrophobicContact CG2-CD1 3.73Å; L220-I225 HydrophobicContact CB-CD1 4.09Å; L220-I225 HydrophobicContact CB-CG1 3.86Å; S221-I225 PolarHBondContact O-N 2.91Å; R223-I225 VanDerWaalsContact C-N 3.32Å; R223-I225 PolarHBondContact O-N 3.45Å; I225-V227 PolarHBondContact O-N 2.89Å; I225-W228 PolarHBondContact O-N 3.41Å; I225-F229 HydrophobicContact CG2-CD2 3.96Å; I225-F229 HydrophobicContact CG2-CE2 4.06Å; I225-F229 WeakPolarHBondContact O-CD2 3.31Å; I225-F229 PolarHBondContact O-N 3.47Å
226	R	92.8	Very high	92	Very high	145 Å²	145	75.4 Å²	75.4	55%	0.547	38%	0.382	S	S	.	.	H	α-helix	trans	-56.3	-46.8	174.1	-82.4	-177.3	-73.2	163.9	-12.1	112.7	K211 P222 R223 F229 Q230	K211-R226 HydrophobicContact CD-CG 4.15Å; P222-R226 WeakPolarHBondContact O-CB 3.44Å; P222-R226 WeakPolarHBondContact O-CG 3.37Å; P222-R226 PolarHBondContact O-N 3.06Å; P222-R226 PolarHBondContact O-NE 3.48Å; R223-R226 PolarHBondContact O-N 2.83Å; R226-F229 PolarHBondContact O-N 3.01Å; R226-Q230 WeakPolarHBondContact O-CB 3.44Å; R226-Q230 PolarHBondContact O-N 3.47Å
227	V	92.7	Very high	91.8	Very high	55 Å²	55	74.8 Å²	74.8	33%	0.333	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-38	179.1	170.1	0	0	0	0	111.3	R223 V224 I225 Q230 N231	R223-V227 HydrophobicContact CG-CG2 4.35Å; R223-V227 WeakPolarHBondContact O-CB 3.47Å; R223-V227 VanDerWaalsContact O-CG2 3.28Å; R223-V227 WeakPolarHBondContact O-CG2 3.27Å; R223-V227 PolarHBondContact O-N 3.36Å; V224-V227 PolarHBondContact O-N 3.06Å; I225-V227 PolarHBondContact O-N 2.89Å; V227-Q230 PolarHBondContact O-N 2.97Å; V227-N231 WeakPolarHBondContact CG1-ND2 3.49Å; V227-N231 WeakPolarHBondContact O-CB 3.26Å; V227-N231 PolarHBondContact O-N 2.94Å; V227-N231 PolarHBondContact O-ND2 3.12Å
228	W	93.7	Very high	91.4	Very high	39 Å²	39	77.2 Å²	77.2	15%	0.148	38%	0.384	C	S	.	.	H	α-helix	trans	-62.2	-50	175.8	-172.6	102.8	0	0	0	111.2	L193 L196 R197 Y200 V224 I225 Q230 N231 K232	L193-W228 HydrophobicContact CD1-CZ2 4.03Å; L196-W228 VanDerWaalsContact C-CH2 3.46Å; L196-W228 HydrophobicContact CB-CD2 3.98Å; L196-W228 HydrophobicContact CB-CE3 4Å; L196-W228 HydrophobicContact CB-CH2 3.74Å; L196-W228 HydrophobicContact CB-CZ2 3.67Å; L196-W228 HydrophobicContact CB-CZ3 3.89Å; L196-W228 HydrophobicContact CD1-CD2 3.95Å; L196-W228 HydrophobicContact CD1-CG 3.9Å; L196-W228 HydrophobicContact CD2-CE3 4.36Å; L196-W228 HydrophobicContact CG-CD2 4.39Å; L196-W228 VanDerWaalsContact O-CH2 3.28Å; L196-W228 WeakPolarHBondContact O-CH2 3.36Å; L196-W228 WeakPolarHBondContact O-CZ3 3.48Å; R197-W228 HydrophobicContact CG-CH2 4.44Å; R197-W228 HydrophobicContact CG-CZ2 4.24Å; Y200-W228 HydrophobicContact CD2-CZ3 4.27Å; Y200-W228 HydrophobicContact CG-CH2 4.48Å; Y200-W228 HydrophobicContact CG-CZ3 4.28Å; V224-W228 WeakPolarHBondContact O-CB 3.44Å; V224-W228 PolarHBondContact O-N 3.35Å; I225-W228 PolarHBondContact O-N 3.41Å; W228-Q230 VanDerWaalsContact C-N 3.31Å; W228-Q230 PolarHBondContact O-N 2.86Å; W228-N231 PolarHBondContact O-N 3.26Å; W228-K232 HydrophobicContact CE3-CB 4.26Å; W228-K232 HydrophobicContact CH2-CB 4.37Å; W228-K232 HydrophobicContact CH2-CD 4.44Å; W228-K232 HydrophobicContact CH2-CG 4.07Å; W228-K232 HydrophobicContact CZ3-CB 4.09Å; W228-K232 HydrophobicContact CZ3-CG 4.1Å; W228-K232 VanDerWaalsContact O-CB 3.29Å; W228-K232 WeakPolarHBondContact O-CB 3.35Å; W228-K232 PolarHBondContact O-N 3.09Å
229	F	95.3	Very high	90.9	Very high	5 Å²	5	84.7 Å²	84.7	2%	0.022	41%	0.412	C	S	.	.	H	α-helix	trans	-65.5	-31.4	177.2	-88.1	-95.3	0	0	0	112.8	L196 C199 Y200 P206 L214 I225 R226 R233	L196-F229 HydrophobicContact CD2-CD2 4.42Å; L196-F229 HydrophobicContact CD2-CE2 3.78Å; C199-F229 HydrophobicContact CB-CZ 4.25Å; Y200-F229 AromaticContact CD2-CD1 3.72Å; Y200-F229 HydrophobicContact CD2-CD1 3.72Å; Y200-F229 AromaticContact CD2-CE1 3.75Å; Y200-F229 HydrophobicContact CD2-CE1 3.75Å; Y200-F229 HydrophobicContact CE2-CD1 4.47Å; Y200-F229 HydrophobicContact CG-CE1 4.35Å; P206-F229 HydrophobicContact CG-CD1 3.72Å; P206-F229 HydrophobicContact CG-CD2 4.32Å; P206-F229 HydrophobicContact CG-CE1 3.56Å; P206-F229 HydrophobicContact CG-CE2 4.19Å; P206-F229 HydrophobicContact CG-CG 4.12Å; P206-F229 HydrophobicContact CG-CZ 3.82Å; L214-F229 HydrophobicContact CD1-CE2 3.66Å; L214-F229 HydrophobicContact CD1-CZ 3.93Å; I225-F229 HydrophobicContact CG2-CD2 3.96Å; I225-F229 HydrophobicContact CG2-CE2 4.06Å; I225-F229 WeakPolarHBondContact O-CD2 3.31Å; I225-F229 PolarHBondContact O-N 3.47Å; R226-F229 PolarHBondContact O-N 3.01Å; F229-R233 VanDerWaalsContact O-CG 3.31Å; F229-R233 WeakPolarHBondContact O-CG 3.45Å; F229-R233 PolarHBondContact O-N 2.87Å; F229-R233 PolarHBondContact O-NE 2.97Å
230	Q	91.9	Very high	90.4	Very high	111 Å²	111	85.2 Å²	85.2	52%	0.519	40%	0.404	S	S	.	.	H	α-helix	trans	-66.5	-53.3	171.9	-172.1	174.4	20.2	0	0	111.1	R226 V227 W228 K232 R233 C234	R226-Q230 WeakPolarHBondContact O-CB 3.44Å; R226-Q230 PolarHBondContact O-N 3.47Å; V227-Q230 PolarHBondContact O-N 2.97Å; W228-Q230 VanDerWaalsContact C-N 3.31Å; W228-Q230 PolarHBondContact O-N 2.86Å; Q230-K232 VanDerWaalsContact C-N 3.33Å; Q230-K232 PolarHBondContact O-N 2.97Å; Q230-R233 PolarHBondContact O-N 3.38Å; Q230-C234 PolarHBondContact O-N 3.45Å; Q230-C234 PolarHBondContact O-SG 3.35Å
231	N	93.6	Very high	90	Very high	88 Å²	88	88.9 Å²	88.9	47%	0.471	42%	0.423	S	S	.	.	H	α-helix	trans	-60.9	-39.5	179.9	-71.6	-19.4	0	0	0	112.4	V227 W228 C234 K235	V227-N231 WeakPolarHBondContact CG1-ND2 3.49Å; V227-N231 WeakPolarHBondContact O-CB 3.26Å; V227-N231 PolarHBondContact O-N 2.94Å; V227-N231 PolarHBondContact O-ND2 3.12Å; W228-N231 PolarHBondContact O-N 3.26Å; N231-C234 PolarHBondContact O-N 2.91Å; N231-K235 WeakPolarHBondContact O-CB 3.26Å; N231-K235 PolarHBondContact O-N 3.41Å
232	K	92.4	Very high	89.5	Confident	59 Å²	59	92.2 Å²	92.2	26%	0.257	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-48.2	177.2	-178.8	61.2	171.2	109.9	0	111.5	Y200 W228 Q230 C234 K235 D236	Y200-K232 HydrophobicContact CD1-CD 4.46Å; Y200-K232 HydrophobicContact CD1-CG 3.89Å; Y200-K232 HydrophobicContact CD2-CB 4.38Å; Y200-K232 HydrophobicContact CD2-CG 3.7Å; Y200-K232 HydrophobicContact CE1-CD 4.26Å; Y200-K232 HydrophobicContact CE1-CG 3.7Å; Y200-K232 HydrophobicContact CE2-CB 4.15Å; Y200-K232 HydrophobicContact CE2-CG 3.52Å; Y200-K232 HydrophobicContact CG-CG 3.87Å; W228-K232 HydrophobicContact CE3-CB 4.26Å; W228-K232 HydrophobicContact CH2-CB 4.37Å; W228-K232 HydrophobicContact CH2-CD 4.44Å; W228-K232 HydrophobicContact CH2-CG 4.07Å; W228-K232 HydrophobicContact CZ3-CB 4.09Å; W228-K232 HydrophobicContact CZ3-CG 4.1Å; W228-K232 VanDerWaalsContact O-CB 3.29Å; W228-K232 WeakPolarHBondContact O-CB 3.35Å; W228-K232 PolarHBondContact O-N 3.09Å; Q230-K232 VanDerWaalsContact C-N 3.33Å; Q230-K232 PolarHBondContact O-N 2.97Å; K232-C234 PolarHBondContact O-N 2.81Å; K232-K235 PolarHBondContact O-N 3.02Å; K232-D236 IonicContact NZ-OD1 3.79Å; K232-D236 PolarHBondContact NZ-OD1 3.48Å; K232-D236 IonicContact NZ-OD2 2.82Å; K232-D236 PolarHBondContact NZ-OD2 3.4Å; K232-D236 PolarHBondContact O-N 2.87Å
233	R	93.6	Very high	88.9	Confident	95 Å²	95	93.8 Å²	93.8	36%	0.358	44%	0.436	S	S	.	.	H	α-helix	trans	-60.4	-42.5	173.9	-72.6	178.6	-72.3	165.7	-0.7	112.4	Y200 P204 F229 Q230 D236 K237	Y200-R233 HydrophobicContact CE2-CG 3.82Å; P204-R233 WeakPolarHBondContact O-CD 3.12Å; F229-R233 VanDerWaalsContact O-CG 3.31Å; F229-R233 WeakPolarHBondContact O-CG 3.45Å; F229-R233 PolarHBondContact O-N 2.87Å; F229-R233 PolarHBondContact O-NE 2.97Å; Q230-R233 PolarHBondContact O-N 3.38Å; R233-D236 PolarHBondContact O-N 3.31Å; R233-K237 WeakPolarHBondContact O-CB 3.39Å; R233-K237 PolarHBondContact O-N 2.96Å
234	C	91.3	Very high	88.5	Confident	78 Å²	78	92.3 Å²	92.3	53%	0.527	43%	0.434	S	S	.	.	H	α-helix	trans	-62.4	-42.8	176	-69.8	0	0	0	0	112.2	Q230 N231 K232 K238	Q230-C234 PolarHBondContact O-N 3.45Å; Q230-C234 PolarHBondContact O-SG 3.35Å; N231-C234 PolarHBondContact O-N 2.91Å; K232-C234 PolarHBondContact O-N 2.81Å; C234-K238 PolarHBondContact O-N 3.28Å
235	K	87.7	Confident	87.8	Confident	159 Å²	159	96.2 Å²	96.2	69%	0.691	45%	0.45	S	S	*	.	H	α-helix	trans	-64.8	-44.2	177.7	-170.6	175.8	-177.5	178.5	0	111.7	N231 K232 K238 R239	N231-K235 WeakPolarHBondContact O-CB 3.26Å; N231-K235 PolarHBondContact O-N 3.41Å; K232-K235 PolarHBondContact O-N 3.02Å; K235-K238 PolarHBondContact O-N 3.01Å; K235-R239 PolarHBondContact O-N 3.43Å
236	D	87.9	Confident	87.1	Confident	47 Å²	47	101.7 Å²	101.7	25%	0.251	48%	0.478	S	S	.	.	H	α-helix	trans	-68.7	-39.3	179.5	-66.5	-10.5	0	0	0	111.8	Y200 K232 R233 K238 R239 S240	Y200-D236 WeakPolarHBondContact CE1-OD2 3.41Å; Y200-D236 VanDerWaalsContact CZ-OD2 3.25Å; Y200-D236 PolarHBondContact OH-OD2 3.04Å; K232-D236 IonicContact NZ-OD1 3.79Å; K232-D236 PolarHBondContact NZ-OD1 3.48Å; K232-D236 IonicContact NZ-OD2 2.82Å; K232-D236 PolarHBondContact NZ-OD2 3.4Å; K232-D236 PolarHBondContact O-N 2.87Å; R233-D236 PolarHBondContact O-N 3.31Å; D236-K238 PolarHBondContact O-N 2.88Å; D236-R239 PolarHBondContact O-N 3.24Å; D236-S240 WeakPolarHBondContact O-CB 3.42Å; D236-S240 PolarHBondContact O-N 3.44Å
237	K	87.8	Confident	86.1	Confident	148 Å²	148	102 Å²	102	64%	0.643	49%	0.486	S	S	*	.	H	α-helix	trans	-59.4	-45.2	171.3	-176.4	174.2	179.3	178.8	0	111.5	R233 S240 I241	R233-K237 WeakPolarHBondContact O-CB 3.39Å; R233-K237 PolarHBondContact O-N 2.96Å; K237-S240 PolarHBondContact O-N 2.89Å; K237-I241 HydrophobicContact CG-CD1 4.05Å; K237-I241 WeakPolarHBondContact O-CG1 3.5Å; K237-I241 PolarHBondContact O-N 2.9Å
238	K	81.3	Confident	84.7	Confident	157 Å²	157	106.3 Å²	106.3	68%	0.683	50%	0.502	S	S	*	.	H	α-helix	trans	-62.8	-41.1	176.1	-173.6	170.9	180	176.2	0	111.8	C234 K235 D236 I241 M242	C234-K238 PolarHBondContact O-N 3.28Å; K235-K238 PolarHBondContact O-N 3.01Å; D236-K238 PolarHBondContact O-N 2.88Å; K238-I241 PolarHBondContact O-N 3.23Å; K238-M242 WeakPolarHBondContact O-CB 3.14Å; K238-M242 PolarHBondContact O-N 3.31Å
239	R	80.8	Confident	83.1	Confident	168 Å²	168	111.9 Å²	111.9	63%	0.634	53%	0.53	S	S	*	.	H	α-helix	trans	-63.2	-41.6	175.9	-170.4	-179.4	-175.8	-175.5	1.5	112.2	K235 D236 M242 M243	K235-R239 PolarHBondContact O-N 3.43Å; D236-R239 PolarHBondContact O-N 3.24Å; R239-M242 PolarHBondContact O-N 2.93Å; R239-M243 WeakPolarHBondContact O-CG 3.31Å; R239-M243 PolarHBondContact O-N 2.82Å
240	S	82.9	Confident	80.9	Confident	80 Å²	80	118.8 Å²	118.8	56%	0.559	56%	0.562	S	S	*	*	H	α-helix	trans	-64	-45.2	177.1	176.4	0	0	0	0	112.2	D236 K237 M242 M243 K244	D236-S240 WeakPolarHBondContact O-CB 3.42Å; D236-S240 PolarHBondContact O-N 3.44Å; K237-S240 PolarHBondContact O-N 2.89Å; S240-M242 PolarHBondContact O-N 3.47Å; S240-M243 PolarHBondContact O-N 2.97Å; S240-K244 WeakPolarHBondContact O-CB 3.42Å; S240-K244 PolarHBondContact O-N 3.15Å
241	I	82.9	Confident	78.8	Confident	87 Å²	87	118.6 Å²	118.6	45%	0.446	57%	0.571	S	S	.	*	H	α-helix	trans	-61.2	-44.6	175.3	-65.9	164.7	0	0	0	110.8	K237 K238 K244 Q245	K237-I241 HydrophobicContact CG-CD1 4.05Å; K237-I241 WeakPolarHBondContact O-CG1 3.5Å; K237-I241 PolarHBondContact O-N 2.9Å; K238-I241 PolarHBondContact O-N 3.23Å; I241-K244 PolarHBondContact O-N 2.87Å; I241-Q245 PolarHBondContact O-N 2.89Å
242	M	80.5	Confident	76.2	Confident	132 Å²	132	121.8 Å²	121.8	65%	0.65	59%	0.588	S	S	*	*	H	α-helix	trans	-63.9	-42.9	179.7	-167.9	174.9	-157.7	0	0	112.6	K238 R239 S240 Q245 L246	K238-M242 WeakPolarHBondContact O-CB 3.14Å; K238-M242 PolarHBondContact O-N 3.31Å; R239-M242 PolarHBondContact O-N 2.93Å; S240-M242 PolarHBondContact O-N 3.47Å; M242-Q245 PolarHBondContact O-N 3.37Å; M242-L246 PolarHBondContact O-N 3.2Å
243	M	81	Confident	73.8	Confident	108 Å²	108	125.9 Å²	125.9	53%	0.532	61%	0.612	S	S	.	*	H	α-helix	trans	-63.5	-40.2	174.2	-77.9	-66	-170.1	0	0	112	R239 S240 L246 Q247	R239-M243 WeakPolarHBondContact O-CG 3.31Å; R239-M243 PolarHBondContact O-N 2.82Å; S240-M243 PolarHBondContact O-N 2.97Å; M243-L246 PolarHBondContact O-N 3.33Å; M243-Q247 WeakPolarHBondContact O-CB 3.26Å; M243-Q247 PolarHBondContact O-N 3.16Å
244	K	83.7	Confident	71.4	Confident	139 Å²	139	130.3 Å²	130.3	60%	0.604	63%	0.634	S	S	*	*	H	α-helix	trans	-66.9	-36.3	177.8	-167.8	169.6	-177.3	175.3	0	112.5	S240 I241 Q248	S240-K244 WeakPolarHBondContact O-CB 3.42Å; S240-K244 PolarHBondContact O-N 3.15Å; I241-K244 PolarHBondContact O-N 2.87Å; K244-Q248 PolarHBondContact O-N 3.46Å; K244-Q248 VanDerWaalsContact O-N 3.14Å
245	Q	78.1	Confident	69	Low	120 Å²	120	133.1 Å²	133.1	56%	0.561	65%	0.649	S	S	*	*	H	α-helix	trans	-64.8	-44.4	171.8	-77.4	-178.6	-20.2	0	0	112.1	I241 M242 Q247 Q248 Q249	I241-Q245 PolarHBondContact O-N 2.89Å; M242-Q245 PolarHBondContact O-N 3.37Å; Q245-Q247 VanDerWaalsContact C-N 3.34Å; Q245-Q247 PolarHBondContact O-N 3.14Å; Q245-Q248 PolarHBondContact O-N 3Å; Q245-Q249 PolarHBondContact O-N 2.88Å
246	L	76.3	Confident	66.6	Low	115 Å²	115	131.4 Å²	131.4	60%	0.602	65%	0.648	S	S	*	*	H	α-helix	trans	-64.4	-38.9	178.8	-172.5	63.4	0	0	0	111.9	M242 M243 Q248 Q249	M242-L246 PolarHBondContact O-N 3.2Å; M243-L246 PolarHBondContact O-N 3.33Å; L246-Q248 VanDerWaalsContact C-N 3.35Å; L246-Q249 PolarHBondContact O-N 2.77Å
247	Q	73.1	Confident	64.5	Low	151 Å²	151	137.3 Å²	137.3	71%	0.706	68%	0.677	S	S	*	*	H	α-helix	trans	-75.6	-21.6	179.6	-162.7	157.1	27.8	0	0	113.6	M243 Q245 Q249	M243-Q247 WeakPolarHBondContact O-CB 3.26Å; M243-Q247 PolarHBondContact O-N 3.16Å; Q245-Q247 VanDerWaalsContact C-N 3.34Å; Q245-Q247 PolarHBondContact O-N 3.14Å; Q247-Q249 VanDerWaalsContact C-N 3.29Å
248	Q	63.6	Low	62.2	Low	146 Å²	146	136.3 Å²	136.3	68%	0.682	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-5	169	-78.1	-176.6	-21.3	0	0	113.9	K244 Q245 L246	K244-Q248 PolarHBondContact O-N 3.46Å; K244-Q248 VanDerWaalsContact O-N 3.14Å; Q245-Q248 PolarHBondContact O-N 3Å; L246-Q248 VanDerWaalsContact C-N 3.35Å
249	Q	58.4	Low	60.3	Low	157 Å²	157	131.8 Å²	131.8	73%	0.734	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	15.7	174.6	-71.2	179.3	8.5	0	0	113.4	Q245 L246 Q247	Q245-Q249 PolarHBondContact O-N 2.88Å; L246-Q249 PolarHBondContact O-N 2.77Å; Q247-Q249 VanDerWaalsContact C-N 3.29Å
250	Q	50.1	Low	59	Low	150 Å²	150	131.9 Å²	131.9	70%	0.701	68%	0.683	S	S	*	*	S	Bend	trans	-79.5	139.1	160.8	-75.5	-152.8	94.8	0	0	110.1	N252	Q250-N252 PolarHBondContact O-N 3.09Å
251	P	47.4	Very low	58	Low	107 Å²	107	130.3 Å²	130.3	70%	0.695	67%	0.67	S	S	*	*			trans	-79.1	126.5	-153.1	29.5	-35.6	0	0	0	112.6
252	N	39.7	Very low	57.1	Low	155 Å²	155	126.5 Å²	126.5	83%	0.829	65%	0.652	S	S	*	*			trans	-114.3	38.8	157.1	-158.4	25.1	0	0	0	110.1	Q250 K254	Q250-N252 PolarHBondContact O-N 3.09Å; N252-K254 VanDerWaalsContact C-N 3.28Å; N252-K254 PolarHBondContact O-N 2.82Å
253	D	41.4	Very low	56.9	Low	144 Å²	144	123 Å²	123	77%	0.77	64%	0.638	S	S	*	*			trans	-78.4	76.9	176.8	-80.3	-70.1	0	0	0	111
254	K	44.2	Very low	57	Low	188 Å²	188	122.7 Å²	122.7	82%	0.817	65%	0.645	S	S	*	*			trans	-111.3	46.1	161.8	-84.8	-168	171.1	-175.3	0	111.5	N252	N252-K254 VanDerWaalsContact C-N 3.28Å; N252-K254 PolarHBondContact O-N 2.82Å
255	T	40	Very low	57.4	Low	137 Å²	137	118.7 Å²	118.7	84%	0.84	63%	0.629	S	S	*	*	S	Bend	trans	-175.4	84.8	160.4	38.5	0	0	0	0	112
256	N	36.8	Very low	58.2	Low	124 Å²	124	117.4 Å²	117.4	66%	0.663	63%	0.629	S	S	*	*			trans	-164.2	124.1	132.7	-161.6	6.3	0	0	0	111.2	Q258	N256-Q258 PolarHBondContact ND2-OE1 3.23Å; N256-Q258 PolarHBondContact O-N 3.5Å
257	I	44.6	Very low	59	Low	170 Å²	170	112.1 Å²	112.1	87%	0.872	60%	0.601	S	S	*	*			trans	-83.5	91.3	167.8	-68.5	178.5	0	0	0	107
258	Q	40.2	Very low	60	Low	127 Å²	127	107.7 Å²	107.7	59%	0.593	59%	0.591	S	S	*	*			trans	-159.4	54.5	169.9	-114.8	165.6	5.7	0	0	111.1	N256	N256-Q258 PolarHBondContact ND2-OE1 3.23Å; N256-Q258 PolarHBondContact O-N 3.5Å
259	G	40.5	Very low	61.4	Low	63 Å²	63	105 Å²	105	65%	0.649	59%	0.588	S	S	*	*			trans	-64.2	159.5	155.3	0	0	0	0	0	110.1	T261	G259-T261 VanDerWaalsContact C-N 3.35Å; G259-T261 PolarHBondContact O-N 2.84Å
260	M	53.5	Low	63.1	Low	170 Å²	170	99.7 Å²	99.7	84%	0.837	57%	0.567	S	S	*	*	S	Bend	trans	78.8	-20.1	173.7	-30.8	-128.9	85.3	0	0	117.5
261	T	61.9	Low	65	Low	46 Å²	46	97.2 Å²	97.2	28%	0.282	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-83	120.8	176.6	51.6	0	0	0	0	112.2	G259 T263	G259-T261 VanDerWaalsContact C-N 3.35Å; G259-T261 PolarHBondContact O-N 2.84Å; T261-T263 PolarHBondContact O-N 3.23Å
262	G	65	Low	66.9	Low	7 Å²	7	100.5 Å²	100.5	7%	0.072	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-64.2	123.3	177	0	0	0	0	0	111.1	H133 P264	H133-G262 PolarHBondContact NE2-O 3.3Å; G262-P264 WeakPolarHBondContact O-CD 3.49Å
263	T	75.1	Confident	68.9	Low	58 Å²	58	93.5 Å²	93.5	36%	0.356	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.1	-176.5	-47.7	0	0	0	0	110.3	R96 T261	R96-T263 PolarHBondContact NH1-OG1 3.22Å; R96-T263 VanDerWaalsContact NH2-CG2 3.26Å; R96-T263 PolarHBondContact NH2-OG1 3.3Å; T261-T263 PolarHBondContact O-N 3.23Å
264	P	84.6	Confident	70	Confident	103 Å²	103	93.7 Å²	93.7	67%	0.669	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	142.6	177.6	27.7	-34.8	0	0	0	110.9	G262	G262-P264 WeakPolarHBondContact O-CD 3.49Å
265	M	91.6	Very high	70.7	Confident	55 Å²	55	86.4 Å²	86.4	27%	0.271	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	157.4	-176.8	-65.6	-170.2	69.4	0	0	109.6	R96 E119 F120	R96-M265 HydrophobicContact CG-CE 4.17Å; R96-M265 HydrophobicContact CG-SD 3.74Å; E119-M265 WeakPolarHBondContact CA-O 3.41Å; F120-M265 HydrophobicContact CD1-CB 4.18Å; F120-M265 WeakPolarHBondContact CD1-O 3.49Å; F120-M265 HydrophobicContact CE1-CB 3.6Å; F120-M265 HydrophobicContact CE2-CB 4.14Å; F120-M265 HydrophobicContact CZ-CB 3.58Å; F120-M265 HydrophobicContact CZ-CG 4.4Å; F120-M265 HydrophobicContact CZ-SD 4.17Å; F120-M265 PolarHBondContact N-O 2.84Å; F120-M265 PolarHBondContact O-N 2.91Å
266	V	94.3	Very high	71.4	Confident	92 Å²	92	81.2 Å²	81.2	56%	0.558	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.3	171.4	-177.9	0	0	0	0	108.6	E119 A268	E119-V266 HydrophobicContact CG-CG2 4.22Å; V266-A268 PolarHBondContact O-N 3.35Å
267	A	93.8	Very high	72.3	Confident	4 Å²	4	77.6 Å²	77.6	3%	0.033	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-64.4	122.7	177.7	0	0	0	0	0	110.5	M93 F105 I115 P116 G117 D118 F120	M93-A267 HydrophobicContact CE-CB 4.31Å; F105-A267 HydrophobicContact CE1-CB 3.94Å; I115-A267 VanDerWaalsContact O-CB 3.25Å; I115-A267 WeakPolarHBondContact O-CB 3.31Å; P116-A267 CarbonylContact C-O 3.45Å; P116-A267 VanDerWaalsContact CA-O 3.31Å; P116-A267 WeakPolarHBondContact CA-O 3.34Å; G117-A267 PolarHBondContact N-O 2.88Å; D118-A267 PolarHBondContact O-N 2.84Å; F120-A267 HydrophobicContact CD1-CB 4.17Å; F120-A267 HydrophobicContact CE1-CB 4.23Å
268	A	93.3	Very high	72.9	Confident	59 Å²	59	76.5 Å²	76.5	49%	0.488	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-79.5	164.2	175	0	0	0	0	0	111.6	M93 V266	M93-A268 VanDerWaalsContact CE-O 3.26Å; M93-A268 WeakPolarHBondContact CE-O 3.28Å; V266-A268 PolarHBondContact O-N 3.35Å
269	S	93.4	Very high	73.7	Confident	88 Å²	88	71.7 Å²	71.7	62%	0.615	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-61.1	147.5	171.4	-62.1	0	0	0	0	111.7	E271	S269-E271 PolarHBondContact O-N 3.34Å
270	P	93	Very high	74.8	Confident	47 Å²	47	75.1 Å²	75.1	31%	0.305	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-61.4	129.2	179.2	-18.8	29.8	0	0	0	111.6	F91 M93 I102	F91-P270 HydrophobicContact CB-CB 3.97Å; F91-P270 HydrophobicContact CD1-CB 4.31Å; M93-P270 HydrophobicContact SD-CB 4.01Å; M93-P270 HydrophobicContact SD-CG 3.75Å; I102-P270 HydrophobicContact CD1-CB 3.85Å; I102-P270 HydrophobicContact CD1-CG 4.03Å; I102-P270 HydrophobicContact CG1-CB 4.09Å; I102-P270 HydrophobicContact CG1-CG 4.23Å
271	E	91.3	Very high	75.6	Confident	97 Å²	97	69.6 Å²	69.6	45%	0.453	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	149.3	177	-64.3	-175.1	167.3	0	0	110.2	F91 V92 R94 S269 H273	F91-E271 CarbonylContact C-O 3.57Å; F91-E271 VanDerWaalsContact CA-O 3.26Å; F91-E271 WeakPolarHBondContact CA-O 3.25Å; V92-E271 PolarHBondContact N-O 2.98Å; V92-E271 PolarHBondContact O-N 3.03Å; R94-E271 WeakPolarHBondContact CD-OE2 3.41Å; R94-E271 IonicContact CZ-OE2 3.44Å; R94-E271 IonicContact NE-OE2 3.57Å; R94-E271 PolarHBondContact NE-OE2 3.44Å; R94-E271 IonicContact NH2-OE2 3Å; S269-E271 PolarHBondContact O-N 3.34Å; E271-H273 PolarHBondContact O-N 2.73Å
272	R	87.5	Confident	76.2	Confident	177 Å²	177	68.6 Å²	68.6	67%	0.668	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.3	165.5	-73.2	-172.4	173.1	-162.5	-2.4	109.3	F91 D274	F91-R272 HydrophobicContact CD1-CG 3.95Å; F91-R272 HydrophobicContact CE1-CG 3.54Å; F91-R272 HydrophobicContact CZ-CG 3.88Å; R272-D274 VanDerWaalsContact C-N 3.25Å; R272-D274 PolarHBondContact O-N 3.18Å
273	H	80.5	Confident	76.8	Confident	8 Å²	8	72.9 Å²	72.9	4%	0.037	42%	0.415	C	S	.	.			trans	-73.2	83.4	169.4	-176.1	-109.5	0	0	0	109.8	F86 D90 V92 E271 G275	F86-H273 HydrophobicContact CB-CB 4.33Å; F86-H273 WeakPolarHBondContact CB-ND1 3.16Å; D90-H273 PolarHBondContact O-N 3.46Å; V92-H273 HydrophobicContact CG1-CB 3.84Å; V92-H273 HydrophobicContact CG2-CB 3.99Å; E271-H273 PolarHBondContact O-N 2.73Å; H273-G275 PolarHBondContact O-N 2.78Å
274	D	65.9	Low	76.9	Confident	148 Å²	148	70.9 Å²	70.9	79%	0.791	40%	0.403	S	S	*	.			trans	-58.1	106.1	162.8	-164.3	-106.8	0	0	0	106.7	R272 G276	R272-D274 VanDerWaalsContact C-N 3.25Å; R272-D274 PolarHBondContact O-N 3.18Å; D274-G276 PolarHBondContact O-N 3.26Å
275	G	59	Low	76.4	Confident	35 Å²	35	69.5 Å²	69.5	36%	0.361	39%	0.387	S	S	.	.			trans	-56.4	98	-155	0	0	0	0	0	112.2	H273 L277	H273-G275 PolarHBondContact O-N 2.78Å; G275-L277 WeakPolarHBondContact O-CG 3.3Å; G275-L277 PolarHBondContact O-N 2.91Å
276	G	53.2	Low	75.4	Confident	27 Å²	27	71.2 Å²	71.2	28%	0.278	41%	0.405	S	S	.	.			trans	-72.9	60.6	-163.7	0	0	0	0	0	114.1	D274 Q278	D274-G276 PolarHBondContact O-N 3.26Å; G276-Q278 PolarHBondContact O-N 3.14Å
277	L	56.5	Low	73.5	Confident	48 Å²	48	71.2 Å²	71.2	25%	0.251	40%	0.395	S	S	.	.			trans	-64.9	114.2	172.8	-60.8	156.1	0	0	0	107.4	F59 Y71 I72 G275 A279	F59-L277 HydrophobicContact CE1-CB 4.2Å; F59-L277 HydrophobicContact CE1-CD1 3.81Å; F59-L277 HydrophobicContact CE1-CD2 3.78Å; F59-L277 HydrophobicContact CE1-CG 4.15Å; F59-L277 HydrophobicContact CZ-CD1 3.72Å; F59-L277 HydrophobicContact CZ-CD2 3.87Å; F59-L277 HydrophobicContact CZ-CG 4.35Å; Y71-L277 HydrophobicContact CD1-CD2 3.57Å; Y71-L277 HydrophobicContact CE1-CB 4.31Å; Y71-L277 HydrophobicContact CE1-CD2 3.72Å; I72-L277 HydrophobicContact CD1-CD2 4.36Å; I72-L277 HydrophobicContact CG1-CD2 3.68Å; G275-L277 WeakPolarHBondContact O-CG 3.3Å; G275-L277 PolarHBondContact O-N 2.91Å; L277-A279 WeakPolarHBondContact CB-O 3.22Å; L277-A279 PolarHBondContact O-N 3.14Å
278	Q	56.1	Low	71.8	Confident	147 Å²	147	73.4 Å²	73.4	69%	0.687	41%	0.405	S	S	*	.	S	Bend	trans	-64.5	-22.9	178.7	-71.8	-172	-20.9	0	0	112.6	G276	G276-Q278 PolarHBondContact O-N 3.14Å
279	A	57.3	Low	69.9	Low	26 Å²	26	71.5 Å²	71.5	22%	0.215	39%	0.387	C	S	.	.	S	Bend	trans	-107.7	143.5	164.4	0	0	0	0	0	110.5	Y71 L277	Y71-A279 HydrophobicContact CE2-CB 4.39Å; Y71-A279 VanDerWaalsContact OH-CB 3.24Å; Y71-A279 WeakPolarHBondContact OH-CB 3.35Å; Y71-A279 PolarHBondContact OH-N 3.37Å; L277-A279 WeakPolarHBondContact CB-O 3.22Å; L277-A279 PolarHBondContact O-N 3.14Å
280	N	64.1	Low	67.9	Low	136 Å²	136	70.7 Å²	70.7	73%	0.727	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-69.2	147.1	168.7	-70.5	-87.6	0	0	0	109.3	V282	N280-V282 PolarHBondContact O-N 3.34Å
281	P	70.2	Confident	65.9	Low	54 Å²	54	75.8 Å²	75.8	35%	0.351	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-57.1	132.5	165.4	24.9	-32	0	0	0	108.9	T57 F59	T57-P281 HydrophobicContact CG2-CB 4.13Å; F59-P281 HydrophobicContact CE1-CB 3.97Å; F59-P281 HydrophobicContact CE2-CB 4.28Å; F59-P281 HydrophobicContact CZ-CB 3.71Å; F59-P281 HydrophobicContact CZ-CG 4.41Å
282	V	75.5	Confident	64.2	Low	24 Å²	24	74.6 Å²	74.6	15%	0.145	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.3	177.1	-179.9	0	0	0	0	108.5	V32 S33 T57 C58 V60 N280	V32-V282 HydrophobicContact CB-CG1 4.31Å; V32-V282 HydrophobicContact CG1-CB 4.12Å; V32-V282 HydrophobicContact CG1-CG1 3.42Å; V32-V282 VanDerWaalsContact CG1-CG1 3.42Å; S33-V282 WeakPolarHBondContact O-CG1 3.39Å; T57-V282 CarbonylContact C-O 3.58Å; T57-V282 WeakPolarHBondContact CA-O 3.48Å; C58-V282 PolarHBondContact N-O 2.94Å; C58-V282 PolarHBondContact O-N 3.41Å; V60-V282 HydrophobicContact CG2-CG2 4.21Å; N280-V282 PolarHBondContact O-N 3.34Å
283	E	77.6	Confident	62.7	Low	98 Å²	98	70.3 Å²	70.3	46%	0.458	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	137.8	177.8	-163.1	172.9	129.5	0	0	110.7	C56 Q285	C56-E283 WeakPolarHBondContact O-CA 3.27Å; E283-Q285 HydrophobicContact CG-CG 4.21Å; E283-Q285 PolarHBondContact OE1-NE2 3.25Å
284	V	76.2	Confident	61.2	Low	15 Å²	15	75.9 Å²	75.9	9%	0.091	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.4	174.9	-174.2	0	0	0	0	107.6	L30 R31 V32 L43 C56 C58	L30-V284 HydrophobicContact CB-CG1 4.43Å; L30-V284 HydrophobicContact CD2-CG1 4.36Å; R31-V284 WeakPolarHBondContact O-CA 3.15Å; V32-V284 HydrophobicContact CG2-CG2 4.31Å; L43-V284 HydrophobicContact CD2-CG1 3.63Å; L43-V284 HydrophobicContact CD2-CG2 4.18Å; C56-V284 PolarHBondContact O-N 3.32Å; C58-V284 HydrophobicContact CB-CG2 4.17Å
285	Q	74	Confident	60.8	Low	74 Å²	74	71.1 Å²	71.1	35%	0.346	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.3	178.8	-67.7	-178.7	-8.6	0	0	110.2	R31 E283	R31-Q285 PolarHBondContact N-O 3.47Å; R31-Q285 PolarHBondContact O-N 3.06Å; E283-Q285 HydrophobicContact CG-CG 4.21Å; E283-Q285 PolarHBondContact OE1-NE2 3.25Å
286	S	70.7	Confident	60.5	Low	92 Å²	92	74.2 Å²	74.2	64%	0.643	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	119.7	168.6	49.4	0	0	0	0	109.4
287	Y	55.3	Low	60.5	Low	92 Å²	92	80.4 Å²	80.4	36%	0.361	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.1	-179.5	-173	-110.9	0	0	0	111.2	I29 P290	I29-Y287 PolarHBondContact N-O 3.19Å; I29-Y287 PolarHBondContact O-N 3.32Å; Y287-P290 WeakPolarHBondContact OH-CD 3.29Å
288	Q	57.7	Low	60.6	Low	50 Å²	50	80.5 Å²	80.5	23%	0.234	42%	0.424	C	S	.	.			trans	-77.4	123.2	162.9	-89	-60.8	-41.3	0	0	108.7	Q27 Y28	Q27-Q288 PolarHBondContact O-NE2 3.17Å; Q27-Q288 PolarHBondContact O-OE1 2.99Å; Y28-Q288 HydrophobicContact CD1-CG 4.31Å; Y28-Q288 HydrophobicContact CE1-CG 4.15Å
289	P	53.9	Low	60.6	Low	18 Å²	18	79.8 Å²	79.8	12%	0.117	42%	0.423	C	S	.	.			trans	-64.7	139.8	179	28	-34.7	0	0	0	110.5	W291 K292	P289-W291 HydrophobicContact CG-CZ2 4.34Å; P289-W291 PolarHBondContact O-N 3.28Å; P289-K292 WeakPolarHBondContact O-CB 3.34Å; P289-K292 PolarHBondContact O-N 3.25Å
290	P	50.3	Low	60.4	Low	72 Å²	72	85 Å²	85	47%	0.468	44%	0.444	S	S	.	.	H	α-helix	trans	-68.7	-18.9	-159	24.4	-33	0	0	0	114	Y287 K292 V293 L294	Y287-P290 WeakPolarHBondContact OH-CD 3.29Å; P290-K292 VanDerWaalsContact C-N 3.29Å; P290-K292 PolarHBondContact O-N 3.34Å; P290-V293 PolarHBondContact O-N 3.29Å; P290-L294 WeakPolarHBondContact O-CG 3.38Å; P290-L294 PolarHBondContact O-N 3.41Å; P290-L294 VanDerWaalsContact O-N 3.16Å
291	W	52	Low	59.5	Low	154 Å²	154	82.5 Å²	82.5	58%	0.583	44%	0.436	S	S	*	.	H	α-helix	trans	-67.7	-26.7	173.3	63.6	-93	0	0	0	112.9	P289 S295	P289-W291 HydrophobicContact CG-CZ2 4.34Å; P289-W291 PolarHBondContact O-N 3.28Å; W291-S295 WeakPolarHBondContact O-CB 3.05Å; W291-S295 PolarHBondContact O-N 3.36Å; W291-S295 PolarHBondContact O-OG 3.02Å
292	K	54.6	Low	58.2	Low	72 Å²	72	86.6 Å²	86.6	31%	0.313	46%	0.455	S	S	.	.	H	α-helix	trans	-68.9	-45.5	171.9	-86.7	-70	-168.3	171.4	0	111.2	P289 P290 L294 S295 D296	P289-K292 WeakPolarHBondContact O-CB 3.34Å; P289-K292 PolarHBondContact O-N 3.25Å; P290-K292 VanDerWaalsContact C-N 3.29Å; P290-K292 PolarHBondContact O-N 3.34Å; K292-L294 PolarHBondContact O-N 2.81Å; K292-S295 CarbonylContact O-C 3.53Å; K292-S295 WeakPolarHBondContact O-CA 3.33Å; K292-S295 WeakPolarHBondContact O-CB 3.4Å; K292-S295 PolarHBondContact O-N 3.2Å; K292-D296 PolarHBondContact O-N 2.88Å
293	V	56	Low	56.5	Low	86 Å²	86	91.7 Å²	91.7	52%	0.521	48%	0.48	S	S	.	.	H	α-helix	trans	-56.1	-40.4	174.2	-174.7	0	0	0	0	111.4	P290 F297	P290-V293 PolarHBondContact O-N 3.29Å; V293-F297 VanDerWaalsContact O-CB 3.3Å; V293-F297 WeakPolarHBondContact O-CB 3.41Å; V293-F297 PolarHBondContact O-N 3.31Å
294	L	48.2	Very low	54.5	Low	126 Å²	126	94.6 Å²	94.6	66%	0.66	50%	0.499	S	S	*	.	H	α-helix	trans	-70.7	-28.9	174	-64.5	175.4	0	0	0	113.6	P290 K292 A298	P290-L294 WeakPolarHBondContact O-CG 3.38Å; P290-L294 PolarHBondContact O-N 3.41Å; P290-L294 VanDerWaalsContact O-N 3.16Å; K292-L294 PolarHBondContact O-N 2.81Å; L294-A298 VanDerWaalsContact O-CB 3.29Å; L294-A298 WeakPolarHBondContact O-CB 3.45Å; L294-A298 PolarHBondContact O-N 3.22Å
295	S	58.2	Low	52.5	Low	47 Å²	47	102.6 Å²	102.6	33%	0.329	54%	0.536	S	S	.	.	H	α-helix	trans	-74.6	-44.9	176.6	-54.3	0	0	0	0	111.4	W291 K292 A298 L299	W291-S295 WeakPolarHBondContact O-CB 3.05Å; W291-S295 PolarHBondContact O-N 3.36Å; W291-S295 PolarHBondContact O-OG 3.02Å; K292-S295 CarbonylContact O-C 3.53Å; K292-S295 WeakPolarHBondContact O-CA 3.33Å; K292-S295 WeakPolarHBondContact O-CB 3.4Å; K292-S295 PolarHBondContact O-N 3.2Å; S295-A298 PolarHBondContact O-N 2.99Å; S295-L299 WeakPolarHBondContact O-CB 3.24Å; S295-L299 VanDerWaalsContact O-CG 3.32Å; S295-L299 WeakPolarHBondContact O-CG 3.46Å; S295-L299 PolarHBondContact O-N 3.43Å
296	D	52.5	Low	50.8	Low	101 Å²	101	105 Å²	105	54%	0.54	56%	0.557	S	S	.	*	H	α-helix	trans	-62.9	-41.6	172.7	-76.5	-74.1	0	0	0	110.8	K292 A298 L299 Q300	K292-D296 PolarHBondContact O-N 2.88Å; D296-A298 PolarHBondContact O-N 3.26Å; D296-L299 PolarHBondContact O-N 3.48Å; D296-Q300 WeakPolarHBondContact O-CB 3.34Å; D296-Q300 PolarHBondContact O-N 2.98Å
297	F	54.6	Low	49.1	Very low	156 Å²	156	105.2 Å²	105.2	68%	0.684	57%	0.565	S	S	*	*	H	α-helix	trans	-64.1	-39.2	175.7	-156	-89.2	0	0	0	112.5	V293 Q300 S301	V293-F297 VanDerWaalsContact O-CB 3.3Å; V293-F297 WeakPolarHBondContact O-CB 3.41Å; V293-F297 PolarHBondContact O-N 3.31Å; F297-Q300 PolarHBondContact O-N 3.03Å; F297-S301 PolarHBondContact O-N 2.94Å; F297-S301 VanDerWaalsContact O-N 3.15Å; F297-S301 PolarHBondContact O-OG 3.42Å; F297-S301 VanDerWaalsContact O-OG 3.12Å
298	A	57.9	Low	48.1	Very low	51 Å²	51	110.6 Å²	110.6	42%	0.421	59%	0.591	S	S	.	*	H	α-helix	trans	-68	-38.6	175.9	0	0	0	0	0	112.8	L294 S295 D296 S301	L294-A298 VanDerWaalsContact O-CB 3.29Å; L294-A298 WeakPolarHBondContact O-CB 3.45Å; L294-A298 PolarHBondContact O-N 3.22Å; S295-A298 PolarHBondContact O-N 2.99Å; D296-A298 PolarHBondContact O-N 3.26Å; A298-S301 WeakPolarHBondContact CA-OG 3.39Å; A298-S301 PolarHBondContact O-OG 3.27Å
299	L	55.9	Low	47.2	Very low	131 Å²	131	115.4 Å²	115.4	69%	0.686	61%	0.613	S	S	*	*	H	α-helix	trans	-75.5	-25	176.5	-69.2	170.8	0	0	0	112.9	S295 D296	S295-L299 WeakPolarHBondContact O-CB 3.24Å; S295-L299 VanDerWaalsContact O-CG 3.32Å; S295-L299 WeakPolarHBondContact O-CG 3.46Å; S295-L299 PolarHBondContact O-N 3.43Å; D296-L299 PolarHBondContact O-N 3.48Å
300	Q	52.1	Low	46.4	Very low	137 Å²	137	122 Å²	122	64%	0.64	64%	0.643	S	S	*	*	H	α-helix	trans	-81.4	-20.1	175.9	-161.6	63.8	72.4	0	0	112.6	D296 F297 D302	D296-Q300 WeakPolarHBondContact O-CB 3.34Å; D296-Q300 PolarHBondContact O-N 2.98Å; F297-Q300 PolarHBondContact O-N 3.03Å; Q300-D302 VanDerWaalsContact C-N 3.34Å
301	S	46.8	Very low	46	Very low	82 Å²	82	125.9 Å²	125.9	57%	0.573	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-6.2	177.9	47.2	0	0	0	0	115.6	F297 A298	F297-S301 PolarHBondContact O-N 2.94Å; F297-S301 VanDerWaalsContact O-N 3.15Å; F297-S301 PolarHBondContact O-OG 3.42Å; F297-S301 VanDerWaalsContact O-OG 3.12Å; A298-S301 WeakPolarHBondContact CA-OG 3.39Å; A298-S301 PolarHBondContact O-OG 3.27Å
302	D	42.9	Very low	45.6	Very low	140 Å²	140	125 Å²	125	75%	0.749	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	7.4	176.1	-84.3	-62.5	0	0	0	113.9	Q300	Q300-D302 VanDerWaalsContact C-N 3.34Å
303	I	40.1	Very low	44.8	Very low	131 Å²	131	128.7 Å²	128.7	67%	0.672	69%	0.693	S	S	*	*	S	Bend	trans	-126.9	65.5	179.3	-75	174.4	0	0	0	110.5
304	D	34.6	Very low	43.9	Very low	160 Å²	160	133.9 Å²	133.9	86%	0.856	71%	0.709	S	S	*	*			trans	-163.1	83.2	152.8	-134.8	-59.3	0	0	0	113.8
305	Q	33.9	Very low	43.7	Very low	183 Å²	183	132.3 Å²	132.3	86%	0.855	71%	0.709	S	S	*	*			trans	-155.8	139.7	154.3	-105.7	-163.8	39.1	0	0	106.7
306	P	38.8	Very low	42.8	Very low	123 Å²	123	139.2 Å²	139.2	80%	0.799	74%	0.736	S	S	*	*				-144.1	140.6	53.6	36.6	-17.6	0	0	0	116.4
307	A	34.4	Very low	42.3	Very low	98 Å²	98	138.2 Å²	138.2	81%	0.81	75%	0.75	S	S	*	*			trans	-157.5	69.8	165.4	0	0	0	0	0	114.1
308	F	34.5	Very low	41.6	Very low	204 Å²	204	134.5 Å²	134.5	90%	0.895	76%	0.755	S	S	*	*			trans	-150.2	149.8	142.1	-156.8	-107.7	0	0	0	111.4
309	Q	38.4	Very low	40.9	Very low	152 Å²	152	138.7 Å²	138.7	71%	0.71	78%	0.778	S	S	*	*			trans	-122.2	160.6	-162.9	-158.5	170	71.1	0	0	108.7
310	Q	38.2	Very low	40.1	Very low	156 Å²	156	135.7 Å²	135.7	73%	0.729	78%	0.778	S	S	*	*			trans	73.7	135	173.3	-48.6	175.5	-4.1	0	0	114.3
311	L	42.3	Very low	39.8	Very low	154 Å²	154	134.2 Å²	134.2	81%	0.806	78%	0.783	S	S	*	*			cis	-134.3	156.6	-5.3	-67.8	100.3	0	0	0	107.1
312	V	42.1	Very low	39.3	Very low	136 Å²	136	137 Å²	137	82%	0.824	79%	0.792	S	S	*	*				-157.6	158.8	58.4	-76.9	0	0	0	0	111.9
313	N	38.9	Very low	39.6	Very low	148 Å²	148	135.2 Å²	135.2	79%	0.791	79%	0.79	S	S	*	*			trans	-74.2	135.8	-167.4	-88.8	12.1	0	0	0	116.3
314	F	37.7	Very low	39.9	Very low	195 Å²	195	135.2 Å²	135.2	86%	0.855	80%	0.797	S	S	*	*			trans	46.2	132.9	134	-70.3	-84.5	0	0	0	122.8
315	S	42.8	Very low	40.2	Very low	94 Å²	94	131.1 Å²	131.1	66%	0.657	79%	0.792	S	S	*	*			trans	-79.9	162.9	-176.3	-41.6	0	0	0	0	116.5
316	E	39.9	Very low	40.9	Very low	191 Å²	191	126.9 Å²	126.9	89%	0.893	78%	0.783	S	S	*	*			trans	63.7	120.3	141	-73.9	165.4	94.5	0	0	121
317	G	42.6	Very low	41.1	Very low	81 Å²	81	128.8 Å²	128.8	84%	0.835	78%	0.781	S	S	*	*			trans	-177.4	50.8	175.7	0	0	0	0	0	118.5
318	G	38.9	Very low	41.9	Very low	77 Å²	77	131 Å²	131	79%	0.794	78%	0.784	S	S	*	*			trans	84.7	165.3	157.4	0	0	0	0	0	118.9
319	P	43.8	Very low	42.2	Very low	139 Å²	139	124.5 Å²	124.5	90%	0.903	77%	0.768	S	S	*	*			trans	-117.4	159.2	-147	39.8	-29.7	0	0	0	116.6
320	G	39	Very low	42.3	Very low	68 Å²	68	122.7 Å²	122.7	70%	0.701	77%	0.772	S	S	*	*			trans	-169.2	84.6	174.5	0	0	0	0	0	116.5
321	S	45	Very low	42.5	Very low	106 Å²	106	123.2 Å²	123.2	74%	0.741	78%	0.776	S	S	*	*			trans	50.2	131.1	142.1	57.2	0	0	0	0	123.7
322	N	37.6	Very low	42.3	Very low	141 Å²	141	121.4 Å²	121.4	75%	0.754	78%	0.777	S	S	*	*			trans	82.2	112.5	148.9	-55.8	-10.6	0	0	0	117.7
323	S	47.9	Very low	42.4	Very low	102 Å²	102	119.7 Å²	119.7	71%	0.713	77%	0.771	S	S	*	*				85.2	140.2	89.6	-61.6	0	0	0	0	112.9
324	T	46.8	Very low	42.3	Very low	132 Å²	132	121.2 Å²	121.2	81%	0.81	77%	0.773	S	S	*	*			cis	-172.8	145.7	2.7	17.8	0	0	0	0	109.2
325	G	39.9	Very low	42.6	Very low	73 Å²	73	120 Å²	120	75%	0.753	78%	0.775	S	S	*	*			trans	67.6	168.5	163.7	0	0	0	0	0	117.1
326	S	49.3	Very low	42.8	Very low	95 Å²	95	121 Å²	121	66%	0.664	78%	0.779	S	S	*	*			cis	-162.3	130.5	-16.9	-99.8	0	0	0	0	109.5
327	E	44.2	Very low	42.8	Very low	163 Å²	163	118.6 Å²	118.6	76%	0.762	77%	0.772	S	S	*	*				59.5	158.1	126.3	-55.7	168.9	98.7	0	0	123.7
328	V	49.2	Very low	42.8	Very low	143 Å²	143	120.2 Å²	120.2	87%	0.867	77%	0.766	S	S	*	*			trans	67	154.3	163.6	-43.6	0	0	0	0	120.2
329	A	41.1	Very low	43.1	Very low	69 Å²	69	121.6 Å²	121.6	57%	0.57	76%	0.761	S	S	*	*			cis	-172.8	145.7	-38.3	0	0	0	0	0	109.7	M331	A329-M331 WeakPolarHBondContact O-CE 3.5Å
330	S	41.8	Very low	42.8	Very low	113 Å²	113	121.7 Å²	121.7	79%	0.79	75%	0.754	S	S	*	*			trans	63.6	169.2	159	-55.8	0	0	0	0	115.5
331	M	42.2	Very low	42.9	Very low	167 Å²	167	123.8 Å²	123.8	82%	0.823	76%	0.758	S	S	*	*			cis	-156.7	152.5	28.2	42.9	-137.6	80.2	0	0	113.7	A329	A329-M331 WeakPolarHBondContact O-CE 3.5Å
332	S	37.7	Very low	42.8	Very low	116 Å²	116	126 Å²	126	81%	0.811	76%	0.759	S	S	*	*			trans	-78.4	160.3	-176.8	-45.1	0	0	0	0	114.6
333	S	43.2	Very low	43.1	Very low	100 Å²	100	126.8 Å²	126.8	70%	0.699	77%	0.768	S	S	*	*			trans	160.3	154.6	139.1	-75.1	0	0	0	0	109.9
334	Q	38.4	Very low	42.5	Very low	181 Å²	181	126.3 Å²	126.3	85%	0.846	77%	0.77	S	S	*	*			cis	-163.8	153	-16.2	-103.2	166.4	19.5	0	0	106.4
335	L	43.3	Very low	42.3	Very low	168 Å²	168	125.6 Å²	125.6	88%	0.88	77%	0.771	S	S	*	*			trans	-87.8	157.8	166.6	-67.1	168.4	0	0	0	109.9
336	P	46.6	Very low	42.5	Very low	117 Å²	117	127.9 Å²	127.9	76%	0.76	77%	0.772	S	S	*	*				-150.1	180	93	44	-26.7	0	0	0	112.9
337	D	39.8	Very low	42.1	Very low	139 Å²	139	130.6 Å²	130.6	74%	0.743	78%	0.778	S	S	*	*			cis	-148.3	-144.8	-4.5	-148	-79.9	0	0	0	112
338	T	42.8	Very low	42.2	Very low	115 Å²	115	131.8 Å²	131.8	71%	0.706	78%	0.783	S	S	*	*			trans	-133.9	-162.6	-175.3	61	0	0	0	0	109.5
339	P	45	Very low	42.2	Very low	107 Å²	107	133.3 Å²	133.3	70%	0.695	81%	0.811	S	S	*	*			cis	-142.7	174	-3.1	41	-20.4	0	0	0	119
340	N	37.9	Very low	42.2	Very low	141 Å²	141	136.5 Å²	136.5	75%	0.754	82%	0.823	S	S	*	*			trans	27.8	137	144.3	-70.7	-17.5	0	0	0	125.2
341	S	42	Very low	42.3	Very low	112 Å²	112	137.7 Å²	137.7	78%	0.783	83%	0.825	S	S	*	*				-167.6	108	117.4	-166.5	0	0	0	0	109.5
342	M	43	Very low	42.3	Very low	153 Å²	153	136.1 Å²	136.1	75%	0.754	83%	0.825	S	S	*	*				53.6	112.8	85.3	-69	-165.6	177	0	0	116.7
343	V	42.3	Very low	42.5	Very low	157 Å²	157	137.3 Å²	137.3	95%	0.952	83%	0.825	S	S	*	*				-170.4	151.7	114	-91.1	0	0	0	0	111.6
344	A	35.7	Very low	42.5	Very low	92 Å²	92	139.6 Å²	139.6	76%	0.76	83%	0.833	S	S	*	*			trans	-148.3	175.4	171.8	0	0	0	0	0	109.6
345	S	43.4	Very low	42.8	Very low	116 Å²	116	136.9 Å²	136.9	81%	0.811	83%	0.832	S	S	*	*			trans	100.6	158.2	172.1	-52.4	0	0	0	0	116.3
346	P	43.5	Very low	42.7	Very low	121 Å²	121	134.6 Å²	134.6	79%	0.786	83%	0.829	S	S	*	*			cis	-136.2	-173.1	-34.5	34.6	-16	0	0	0	113.6
347	I	40.1	Very low	42.4	Very low	153 Å²	153	136 Å²	136	79%	0.785	83%	0.834	S	S	*	*			trans	-87.7	146.8	167.2	-174.1	169.3	0	0	0	111.3
348	E	47.9	Very low	42.6	Very low	187 Å²	187	135.8 Å²	135.8	87%	0.874	84%	0.842	S	S	*	*			trans	-147.2	147.9	155	-97.2	-167.7	103.1	0	0	110.8
349	A	48.1	Very low	42.6	Very low	175 Å²	175	137.6 Å²	137.6	100%	1.446	85%	0.854	S	S	*	*			trans	60.2	0	173.1	0	0	0	0	0	118.5

Retrieved 349 of 349 residues in 85.6 ms (Link to these results)

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