A0A077ZFJ2_TRITR Loading...

Protein lgc protein cbr lgc-49 protein cbr acc-2 protein acc cre lgc-49 protein cbn acc-3 protein

AlphaFold DB , UniProt , Accession A0A077ZFJ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 420 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	55.5	Low	80.2	Confident	219 Å²	219	121.8 Å²	121.8	100%	1.079	64%	0.637	S	S	*	*				0	-25.6	0	-76	176.1	84.8	0	0	115.1
2	R	67.3	Low	81	Confident	227 Å²	227	120.8 Å²	120.8	86%	0.857	63%	0.631	S	S	*	*	H	α-helix	trans	-63.6	-36.1	-179.9	-76.2	-176.2	175.4	-178.1	-1.7	117.8	V4 L5	R2-V4 PolarHBondContact O-N 3.29Å; R2-L5 PolarHBondContact O-N 3.5Å
3	P	76.2	Confident	81.7	Confident	97 Å²	97	119.2 Å²	119.2	63%	0.63	62%	0.623	S	S	*	*	H	α-helix	trans	-72.6	-29.7	-173.5	24.6	-31.3	0	0	0	113.6	V6 T7	P3-V6 PolarHBondContact O-N 3.39Å; P3-T7 PolarHBondContact O-N 2.94Å; P3-T7 PolarHBondContact O-OG1 3.01Å
4	V	80.7	Confident	82.1	Confident	92 Å²	92	122.6 Å²	122.6	56%	0.558	62%	0.623	S	S	*	*	H	α-helix	trans	-70.5	-32.8	-179.9	-179.7	0	0	0	0	111.8	R2 T7 L8	R2-V4 PolarHBondContact O-N 3.29Å; V4-T7 PolarHBondContact O-OG1 3.17Å; V4-L8 HydrophobicContact CG1-CD1 4.08Å; V4-L8 PolarHBondContact O-N 3.38Å
5	L	80.4	Confident	82.5	Confident	117 Å²	117	125 Å²	125	61%	0.613	63%	0.628	S	S	*	*	H	α-helix	trans	-70	-37.9	179.4	-145.4	93.7	0	0	0	111.7	R2 L9	R2-L5 PolarHBondContact O-N 3.5Å; L5-L9 HydrophobicContact CD2-CD1 4.34Å; L5-L9 WeakPolarHBondContact O-CB 3.39Å; L5-L9 PolarHBondContact O-N 2.93Å
6	V	84.5	Confident	82.7	Confident	89 Å²	89	124.1 Å²	124.1	54%	0.539	63%	0.625	S	S	.	*	H	α-helix	trans	-68.3	-41.1	-179.7	178.1	0	0	0	0	111	P3 L9 C10	P3-V6 PolarHBondContact O-N 3.39Å; V6-L9 PolarHBondContact O-N 2.82Å; V6-C10 WeakPolarHBondContact O-CB 3.49Å; V6-C10 PolarHBondContact O-N 2.89Å; V6-C10 PolarHBondContact O-SG 3.3Å
7	T	85.3	Confident	82.5	Confident	86 Å²	86	121.4 Å²	121.4	53%	0.528	62%	0.619	S	S	.	*	H	α-helix	trans	-67.6	-39.1	177.6	48	0	0	0	0	112.5	P3 V4 C10 H11	P3-T7 PolarHBondContact O-N 2.94Å; P3-T7 PolarHBondContact O-OG1 3.01Å; V4-T7 PolarHBondContact O-OG1 3.17Å; T7-C10 PolarHBondContact O-N 2.76Å; T7-H11 PolarHBondContact O-N 2.69Å
8	L	87.5	Confident	82.2	Confident	110 Å²	110	119.2 Å²	119.2	58%	0.576	61%	0.606	S	S	*	*	H	α-helix	trans	-62.6	-44.4	173.7	-92.6	153	0	0	0	112.2	V4 H11 L12	V4-L8 HydrophobicContact CG1-CD1 4.08Å; V4-L8 PolarHBondContact O-N 3.38Å; L8-H11 PolarHBondContact O-N 2.72Å; L8-L12 PolarHBondContact O-N 2.73Å
9	L	89	Confident	81.7	Confident	95 Å²	95	115.9 Å²	115.9	50%	0.497	60%	0.598	S	S	.	*	H	α-helix	trans	-62.5	-45.7	175.4	-95.1	149.5	0	0	0	111.9	L5 V6 H11 L12 I13	L5-L9 HydrophobicContact CD2-CD1 4.34Å; L5-L9 WeakPolarHBondContact O-CB 3.39Å; L5-L9 PolarHBondContact O-N 2.93Å; V6-L9 PolarHBondContact O-N 2.82Å; L9-H11 VanDerWaalsContact C-N 3.33Å; L9-H11 PolarHBondContact O-N 2.72Å; L9-L12 PolarHBondContact O-N 2.75Å; L9-I13 WeakPolarHBondContact O-CB 3.47Å; L9-I13 WeakPolarHBondContact O-CD1 3.47Å; L9-I13 VanDerWaalsContact O-CG1 3.22Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 2.78Å
10	C	88.2	Confident	80.9	Confident	78 Å²	78	118.4 Å²	118.4	53%	0.527	60%	0.6	S	S	.	*	H	α-helix	trans	-60.7	-40.4	175.5	-78.1	0	0	0	0	112.2	V6 T7 W14	V6-C10 WeakPolarHBondContact O-CB 3.49Å; V6-C10 PolarHBondContact O-N 2.89Å; V6-C10 PolarHBondContact O-SG 3.3Å; T7-C10 PolarHBondContact O-N 2.76Å; C10-W14 VanDerWaalsContact O-CB 3.29Å; C10-W14 WeakPolarHBondContact O-CB 3.28Å; C10-W14 PolarHBondContact O-N 2.82Å
11	H	87.6	Confident	80	Confident	130 Å²	130	121.7 Å²	121.7	60%	0.602	61%	0.605	S	S	*	*	H	α-helix	trans	-67.5	-37.4	175.5	-98.3	-41.4	0	0	0	113	T7 L8 L9 W14 K15	T7-H11 PolarHBondContact O-N 2.69Å; L8-H11 PolarHBondContact O-N 2.72Å; L9-H11 VanDerWaalsContact C-N 3.33Å; L9-H11 PolarHBondContact O-N 2.72Å; H11-W14 PolarHBondContact O-N 3.09Å; H11-K15 WeakPolarHBondContact O-CG 3.47Å; H11-K15 PolarHBondContact O-N 3.43Å
12	L	90.4	Very high	80.2	Confident	109 Å²	109	114.9 Å²	114.9	57%	0.571	57%	0.573	S	S	*	*	H	α-helix	trans	-67.2	-44	176.8	-138.4	106.1	0	0	0	111	L8 L9 K15 L16	L8-L12 PolarHBondContact O-N 2.73Å; L9-L12 PolarHBondContact O-N 2.75Å; L12-K15 PolarHBondContact O-N 2.8Å; L12-L16 HydrophobicContact CD2-CD1 4.14Å; L12-L16 WeakPolarHBondContact O-CB 3.27Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.22Å; L12-L16 PolarHBondContact O-N 2.95Å
13	I	89.6	Confident	79.8	Confident	101 Å²	101	106.7 Å²	106.7	52%	0.518	55%	0.554	S	S	.	*	H	α-helix	trans	-62.8	-43.8	175.2	-66.1	163.8	0	0	0	109.9	L9 K15 L16 C17	L9-I13 WeakPolarHBondContact O-CB 3.47Å; L9-I13 WeakPolarHBondContact O-CD1 3.47Å; L9-I13 VanDerWaalsContact O-CG1 3.22Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 2.78Å; I13-K15 PolarHBondContact O-N 3.43Å; I13-L16 PolarHBondContact O-N 2.88Å; I13-C17 WeakPolarHBondContact O-CB 3.45Å; I13-C17 PolarHBondContact O-N 2.93Å
14	W	88	Confident	78.8	Confident	167 Å²	167	106.9 Å²	106.9	63%	0.633	55%	0.546	S	S	*	.	H	α-helix	trans	-59.7	-47	175.6	-176.5	-87.2	0	0	0	111.6	C10 H11 C17 Q18	C10-W14 VanDerWaalsContact O-CB 3.29Å; C10-W14 WeakPolarHBondContact O-CB 3.28Å; C10-W14 PolarHBondContact O-N 2.82Å; H11-W14 PolarHBondContact O-N 3.09Å; W14-C17 PolarHBondContact O-N 3.39Å; W14-Q18 VanDerWaalsContact O-CB 3.3Å; W14-Q18 WeakPolarHBondContact O-CB 3.26Å; W14-Q18 PolarHBondContact O-N 3.26Å
15	K	87.5	Confident	77.6	Confident	158 Å²	158	106.7 Å²	106.7	69%	0.687	55%	0.549	S	S	*	.	H	α-helix	trans	-65.8	-37.7	177.3	-75	-157.9	178.5	-168.6	0	113.2	H11 L12 I13 A19	H11-K15 WeakPolarHBondContact O-CG 3.47Å; H11-K15 PolarHBondContact O-N 3.43Å; L12-K15 PolarHBondContact O-N 2.8Å; I13-K15 PolarHBondContact O-N 3.43Å; K15-A19 VanDerWaalsContact O-CB 3.26Å; K15-A19 WeakPolarHBondContact O-CB 3.09Å; K15-A19 PolarHBondContact O-N 3.43Å
16	L	85.1	Confident	76.7	Confident	111 Å²	111	109.9 Å²	109.9	58%	0.581	55%	0.553	S	S	*	*	H	α-helix	trans	-68.9	-38.6	175.3	-74.7	167.7	0	0	0	111.6	L12 I13 A19 R20	L12-L16 HydrophobicContact CD2-CD1 4.14Å; L12-L16 WeakPolarHBondContact O-CB 3.27Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.22Å; L12-L16 PolarHBondContact O-N 2.95Å; I13-L16 PolarHBondContact O-N 2.88Å; L16-A19 PolarHBondContact O-N 3.02Å; L16-R20 VanDerWaalsContact O-CB 3.26Å; L16-R20 WeakPolarHBondContact O-CB 3.17Å; L16-R20 PolarHBondContact O-N 3.4Å
17	C	80.2	Confident	76.4	Confident	78 Å²	78	112 Å²	112	53%	0.527	56%	0.561	S	S	.	*	H	α-helix	trans	-67.8	-43.8	175.8	-149.5	0	0	0	0	110	I13 W14 R20 W21	I13-C17 WeakPolarHBondContact O-CB 3.45Å; I13-C17 PolarHBondContact O-N 2.93Å; W14-C17 PolarHBondContact O-N 3.39Å; C17-R20 PolarHBondContact O-N 2.94Å; C17-W21 VanDerWaalsContact O-CB 3.3Å; C17-W21 WeakPolarHBondContact O-CB 3.45Å; C17-W21 PolarHBondContact O-N 2.96Å
18	Q	77	Confident	76.5	Confident	81 Å²	81	110 Å²	110	38%	0.379	55%	0.55	S	S	.	*	H	α-helix	trans	-61.3	-46.1	173.9	-160	107.5	21.3	0	0	111.3	W14 R20 W21 D22	W14-Q18 VanDerWaalsContact O-CB 3.3Å; W14-Q18 WeakPolarHBondContact O-CB 3.26Å; W14-Q18 PolarHBondContact O-N 3.26Å; Q18-R20 VanDerWaalsContact C-N 3.3Å; Q18-R20 PolarHBondContact O-N 3.47Å; Q18-W21 PolarHBondContact O-N 3.15Å; Q18-D22 VanDerWaalsContact O-CB 3.26Å; Q18-D22 WeakPolarHBondContact O-CB 3.33Å; Q18-D22 PolarHBondContact O-N 3.35Å
19	A	72	Confident	76.5	Confident	57 Å²	57	106 Å²	106	47%	0.471	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-34.6	176.7	0	0	0	0	0	112.8	K15 L16 A23	K15-A19 VanDerWaalsContact O-CB 3.26Å; K15-A19 WeakPolarHBondContact O-CB 3.09Å; K15-A19 PolarHBondContact O-N 3.43Å; L16-A19 PolarHBondContact O-N 3.02Å; A19-A23 VanDerWaalsContact O-CB 3.27Å; A19-A23 WeakPolarHBondContact O-CB 3.42Å; A19-A23 PolarHBondContact O-N 2.9Å
20	R	67.1	Low	76.5	Confident	166 Å²	166	107 Å²	107	63%	0.626	54%	0.539	S	S	*	.	H	α-helix	trans	-73.5	-37.7	174.5	-175.8	169.8	179.5	163.7	1.5	112.1	L16 C17 Q18 A23 E24	L16-R20 VanDerWaalsContact O-CB 3.26Å; L16-R20 WeakPolarHBondContact O-CB 3.17Å; L16-R20 PolarHBondContact O-N 3.4Å; C17-R20 PolarHBondContact O-N 2.94Å; Q18-R20 VanDerWaalsContact C-N 3.3Å; Q18-R20 PolarHBondContact O-N 3.47Å; R20-A23 CarbonylContact O-C 3.52Å; R20-A23 WeakPolarHBondContact O-CB 3.45Å; R20-A23 PolarHBondContact O-N 3.24Å; R20-A23 VanDerWaalsContact O-N 3.16Å; R20-E24 HydrophobicContact CG-CG 4.45Å; R20-E24 IonicContact CZ-OE1 2.66Å; R20-E24 IonicContact NE-OE1 2.89Å; R20-E24 PolarHBondContact NE-OE1 3.35Å; R20-E24 IonicContact NH2-OE1 3.83Å; R20-E24 PolarHBondContact NH2-OE1 3Å; R20-E24 WeakPolarHBondContact O-CB 3.45Å; R20-E24 PolarHBondContact O-N 3.05Å
21	W	62	Low	76.5	Confident	188 Å²	188	105.1 Å²	105.1	71%	0.712	52%	0.524	S	S	*	.	H	α-helix	trans	-70.3	-37.4	175.4	-139.7	48.8	0	0	0	111.3	C17 Q18 A23 E24 S25	C17-W21 VanDerWaalsContact O-CB 3.3Å; C17-W21 WeakPolarHBondContact O-CB 3.45Å; C17-W21 PolarHBondContact O-N 2.96Å; Q18-W21 PolarHBondContact O-N 3.15Å; W21-A23 PolarHBondContact O-N 3.23Å; W21-E24 PolarHBondContact O-N 3.1Å; W21-S25 WeakPolarHBondContact O-CB 3.45Å; W21-S25 PolarHBondContact O-N 2.99Å; W21-S25 PolarHBondContact O-OG 3.13Å; W21-S25 VanDerWaalsContact O-OG 3.1Å
22	D	59.5	Low	76.5	Confident	76 Å²	76	103 Å²	103	41%	0.406	52%	0.524	S	S	.	.	H	α-helix	trans	-69.6	-16	170.2	-67.8	-23.4	0	0	0	112.5	Q18 R26	Q18-D22 VanDerWaalsContact O-CB 3.26Å; Q18-D22 WeakPolarHBondContact O-CB 3.33Å; Q18-D22 PolarHBondContact O-N 3.35Å; D22-R26 WeakPolarHBondContact O-CD 3.41Å; D22-R26 VanDerWaalsContact O-CG 3.28Å; D22-R26 WeakPolarHBondContact O-CG 3.33Å; D22-R26 PolarHBondContact O-NE 3.19Å
23	A	58.2	Low	76.4	Confident	55 Å²	55	100.2 Å²	100.2	46%	0.455	51%	0.513	S	S	.	.	H	α-helix	trans	-94.1	-37	173.2	0	0	0	0	0	112.6	A19 R20 W21 R26	A19-A23 VanDerWaalsContact O-CB 3.27Å; A19-A23 WeakPolarHBondContact O-CB 3.42Å; A19-A23 PolarHBondContact O-N 2.9Å; R20-A23 CarbonylContact O-C 3.52Å; R20-A23 WeakPolarHBondContact O-CB 3.45Å; R20-A23 PolarHBondContact O-N 3.24Å; R20-A23 VanDerWaalsContact O-N 3.16Å; W21-A23 PolarHBondContact O-N 3.23Å; A23-R26 WeakPolarHBondContact O-CB 3.47Å; A23-R26 PolarHBondContact O-N 2.74Å
24	E	54.6	Low	76.4	Confident	100 Å²	100	95.4 Å²	95.4	47%	0.467	49%	0.489	S	S	.	.	H	α-helix	trans	-77.8	-29.1	176.5	-77.3	172.7	-173.7	0	0	112	R20 W21 R26 N27	R20-E24 HydrophobicContact CG-CG 4.45Å; R20-E24 IonicContact CZ-OE1 2.66Å; R20-E24 IonicContact NE-OE1 2.89Å; R20-E24 PolarHBondContact NE-OE1 3.35Å; R20-E24 IonicContact NH2-OE1 3.83Å; R20-E24 PolarHBondContact NH2-OE1 3Å; R20-E24 WeakPolarHBondContact O-CB 3.45Å; R20-E24 PolarHBondContact O-N 3.05Å; W21-E24 PolarHBondContact O-N 3.1Å; E24-R26 PolarHBondContact O-N 3.1Å; E24-R26 VanDerWaalsContact O-N 3.17Å; E24-N27 PolarHBondContact O-N 3.48Å
25	S	56.1	Low	76.4	Confident	88 Å²	88	88.9 Å²	88.9	62%	0.615	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-5.7	169.7	73.3	0	0	0	0	113.7	W21	W21-S25 WeakPolarHBondContact O-CB 3.45Å; W21-S25 PolarHBondContact O-N 2.99Å; W21-S25 PolarHBondContact O-OG 3.13Å; W21-S25 VanDerWaalsContact O-OG 3.1Å
26	R	60.6	Low	76.5	Confident	185 Å²	185	86 Å²	86	70%	0.698	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	6.8	176.7	-65.6	177.9	-165.4	-157.9	-0.6	114.8	D22 A23 E24 C28	D22-R26 WeakPolarHBondContact O-CD 3.41Å; D22-R26 VanDerWaalsContact O-CG 3.28Å; D22-R26 WeakPolarHBondContact O-CG 3.33Å; D22-R26 PolarHBondContact O-NE 3.19Å; A23-R26 WeakPolarHBondContact O-CB 3.47Å; A23-R26 PolarHBondContact O-N 2.74Å; E24-R26 PolarHBondContact O-N 3.1Å; E24-R26 VanDerWaalsContact O-N 3.17Å; R26-C28 PolarHBondContact O-N 3.21Å
27	N	79.5	Confident	76.6	Confident	132 Å²	132	85 Å²	85	71%	0.706	45%	0.452	S	S	*	.			trans	-76.6	60.9	171.4	-74	-10.9	0	0	0	111	E24 N97	E24-N27 PolarHBondContact O-N 3.48Å; N27-N97 PolarHBondContact O-ND2 3.16Å
28	C	86.8	Confident	76.9	Confident	44 Å²	44	82.4 Å²	82.4	30%	0.297	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-88.8	153.2	170.1	59.8	0	0	0	0	110.2	R26 N97 C99	R26-C28 PolarHBondContact O-N 3.21Å; C28-N97 CarbonylContact C-O 3.59Å; C28-N97 WeakPolarHBondContact CA-O 3.15Å; C28-C99 VanDerWaalsContact C-SG 3.54Å; C28-C99 HydrophobicContact CB-CB 3.84Å; C28-C99 WeakPolarHBondContact CB-SG 3.28Å; C28-C99 WeakPolarHBondContact SG-CA 3.45Å; C28-C99 WeakPolarHBondContact SG-CB 3.4Å; C28-C99 CovalentContact SG-SG 2.02Å; C28-C99 PolarHBondContact SG-SG 3.14Å
29	A	86.5	Confident	77.2	Confident	27 Å²	27	80 Å²	80	22%	0.223	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-74.8	138.8	-179.6	0	0	0	0	0	111.6	I34 L96 N97 C99	A29-I34 HydrophobicContact CB-CD1 4.01Å; A29-I34 HydrophobicContact CB-CG1 4.04Å; A29-L96 WeakPolarHBondContact CB-O 3.49Å; A29-N97 PolarHBondContact N-O 3.21Å; A29-C99 PolarHBondContact O-SG 3.45Å
30	N	89	Confident	77.7	Confident	116 Å²	116	83 Å²	83	62%	0.62	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-68.8	143	177.6	-76.4	-24.7	0	0	0	111.4	S32 S33 I34	N30-S32 VanDerWaalsContact C-N 3.27Å; N30-S32 PolarHBondContact O-N 3.32Å; N30-S33 PolarHBondContact N-OG 3.32Å; N30-S33 PolarHBondContact O-N 3.08Å; N30-S33 PolarHBondContact O-OG 3.03Å; N30-I34 PolarHBondContact O-N 3.05Å; N30-I34 VanDerWaalsContact O-N 3.16Å
31	D	88.7	Confident	78.3	Confident	38 Å²	38	77.1 Å²	77.1	20%	0.203	41%	0.414	C	S	.	.	H	α-helix	trans	-53.5	-43.3	179.2	-60.1	-7.3	0	0	0	111.7	S33 I34 I35 K100 I103	D31-S33 PolarHBondContact O-N 3.38Å; D31-I34 PolarHBondContact O-N 3.13Å; D31-I35 WeakPolarHBondContact O-CB 3.38Å; D31-I35 WeakPolarHBondContact O-CD1 3.3Å; D31-I35 WeakPolarHBondContact O-CG1 3.38Å; D31-I35 PolarHBondContact O-N 3.41Å; D31-K100 WeakPolarHBondContact OD2-CE 3.05Å; D31-K100 IonicContact OD2-NZ 3.36Å; D31-K100 PolarHBondContact OD2-NZ 2.99Å; D31-I103 HydrophobicContact CB-CG2 4.49Å
32	S	88.3	Confident	78.7	Confident	86 Å²	86	76.2 Å²	76.2	60%	0.601	42%	0.424	S	S	*	.	H	α-helix	trans	-60.2	-42.8	178.5	-54.1	0	0	0	0	113.1	N30 I34 I35 D36	N30-S32 VanDerWaalsContact C-N 3.27Å; N30-S32 PolarHBondContact O-N 3.32Å; S32-I34 VanDerWaalsContact C-N 3.31Å; S32-I34 PolarHBondContact O-N 3.11Å; S32-I35 PolarHBondContact O-N 3.22Å; S32-D36 PolarHBondContact O-N 3.37Å
33	S	88.6	Confident	79.4	Confident	50 Å²	50	76.8 Å²	76.8	35%	0.35	43%	0.43	S	S	.	.	H	α-helix	trans	-66	-35.9	177.5	51.1	0	0	0	0	112.3	N30 D31 I37	N30-S33 PolarHBondContact N-OG 3.32Å; N30-S33 PolarHBondContact O-N 3.08Å; N30-S33 PolarHBondContact O-OG 3.03Å; D31-S33 PolarHBondContact O-N 3.38Å; S33-I37 WeakPolarHBondContact O-CD1 3.36Å; S33-I37 WeakPolarHBondContact O-CG1 3.34Å; S33-I37 PolarHBondContact O-N 3.1Å
34	I	89.4	Confident	80.1	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.005	42%	0.415	C	S	.	.	H	α-helix	trans	-67.7	-46.2	176.5	-66.3	168.2	0	0	0	110	A29 N30 D31 S32 D36 I37 I38 F93 L96 P98 I103	A29-I34 HydrophobicContact CB-CD1 4.01Å; A29-I34 HydrophobicContact CB-CG1 4.04Å; N30-I34 PolarHBondContact O-N 3.05Å; N30-I34 VanDerWaalsContact O-N 3.16Å; D31-I34 PolarHBondContact O-N 3.13Å; S32-I34 VanDerWaalsContact C-N 3.31Å; S32-I34 PolarHBondContact O-N 3.11Å; I34-D36 PolarHBondContact O-N 3.2Å; I34-I37 PolarHBondContact O-N 2.93Å; I34-I38 HydrophobicContact CG2-CD1 3.54Å; I34-I38 HydrophobicContact CG2-CG1 4.25Å; I34-I38 VanDerWaalsContact O-CG1 3.27Å; I34-I38 WeakPolarHBondContact O-CG1 3.39Å; I34-I38 PolarHBondContact O-N 2.76Å; I34-F93 HydrophobicContact CD1-CD2 4.37Å; I34-F93 HydrophobicContact CG2-CB 3.73Å; I34-F93 HydrophobicContact CG2-CD1 4.33Å; I34-F93 HydrophobicContact CG2-CD2 3.89Å; I34-F93 HydrophobicContact CG2-CG 3.74Å; I34-L96 HydrophobicContact CG1-CB 4.4Å; I34-L96 HydrophobicContact CG1-CD1 4.32Å; I34-L96 HydrophobicContact CG2-CD1 4.29Å; I34-P98 HydrophobicContact CD1-CB 3.69Å; I34-I103 HydrophobicContact CB-CD1 4.21Å; I34-I103 HydrophobicContact CD1-CD1 4.27Å; I34-I103 HydrophobicContact CG2-CD1 3.77Å
35	I	88.5	Confident	81.4	Confident	30 Å²	30	74.7 Å²	74.7	15%	0.154	41%	0.414	C	S	.	.	H	α-helix	trans	-58.4	-46.8	178.8	-69.4	166.8	0	0	0	110.8	D31 S32 I37 I38 I39 I103 L105 I109	D31-I35 WeakPolarHBondContact O-CB 3.38Å; D31-I35 WeakPolarHBondContact O-CD1 3.3Å; D31-I35 WeakPolarHBondContact O-CG1 3.38Å; D31-I35 PolarHBondContact O-N 3.41Å; S32-I35 PolarHBondContact O-N 3.22Å; I35-I37 VanDerWaalsContact C-N 3.34Å; I35-I37 PolarHBondContact O-N 3.29Å; I35-I38 PolarHBondContact O-N 3.18Å; I35-I39 HydrophobicContact CG2-CD1 3.45Å; I35-I39 VanDerWaalsContact CG2-CD1 3.45Å; I35-I39 HydrophobicContact CG2-CG1 4.29Å; I35-I39 WeakPolarHBondContact O-CB 3.48Å; I35-I39 VanDerWaalsContact O-CG1 3.24Å; I35-I39 WeakPolarHBondContact O-CG1 3.14Å; I35-I39 PolarHBondContact O-N 3.45Å; I35-I103 HydrophobicContact CD1-CG2 3.88Å; I35-I103 HydrophobicContact CG1-CG2 4.13Å; I35-L105 HydrophobicContact CD1-CD2 3.68Å; I35-L105 HydrophobicContact CG1-CD2 3.6Å; I35-L105 HydrophobicContact CG2-CD2 4.41Å; I35-I109 HydrophobicContact CG2-CD1 3.76Å
36	D	87.8	Confident	82.8	Confident	96 Å²	96	75 Å²	75	51%	0.513	41%	0.405	S	S	.	.	H	α-helix	trans	-63.5	-38.2	179.3	-73.9	-27.4	0	0	0	112.4	S32 I34 N40	S32-D36 PolarHBondContact O-N 3.37Å; I34-D36 PolarHBondContact O-N 3.2Å; D36-N40 VanDerWaalsContact O-CB 3.3Å; D36-N40 WeakPolarHBondContact O-CB 3.3Å; D36-N40 PolarHBondContact O-N 3.08Å; D36-N40 VanDerWaalsContact O-N 3.1Å; D36-N40 PolarHBondContact O-ND2 3.3Å; D36-N40 VanDerWaalsContact O-ND2 3.1Å
37	I	87.3	Confident	83.9	Confident	92 Å²	92	73.1 Å²	73.1	47%	0.472	40%	0.403	S	S	.	.	H	α-helix	trans	-66.3	-46.8	176.2	-69.5	165.3	0	0	0	110.8	S33 I34 I35 S41 L96	S33-I37 WeakPolarHBondContact O-CD1 3.36Å; S33-I37 WeakPolarHBondContact O-CG1 3.34Å; S33-I37 PolarHBondContact O-N 3.1Å; I34-I37 PolarHBondContact O-N 2.93Å; I35-I37 VanDerWaalsContact C-N 3.34Å; I35-I37 PolarHBondContact O-N 3.29Å; I37-S41 VanDerWaalsContact O-CB 3.32Å; I37-S41 WeakPolarHBondContact O-CB 3.19Å; I37-S41 PolarHBondContact O-N 3.26Å; I37-L96 HydrophobicContact CB-CD1 4.44Å; I37-L96 HydrophobicContact CD1-CD1 4.21Å; I37-L96 HydrophobicContact CD1-CD2 4.38Å; I37-L96 HydrophobicContact CG2-CD1 4.1Å
38	I	86.6	Confident	84.3	Confident	22 Å²	22	74.9 Å²	74.9	11%	0.113	40%	0.4	C	S	.	.	H	α-helix	trans	-66.7	-41.3	-177.4	-66	168.2	0	0	0	111.4	I34 I35 N44 L91 F93	I34-I38 HydrophobicContact CG2-CD1 3.54Å; I34-I38 HydrophobicContact CG2-CG1 4.25Å; I34-I38 VanDerWaalsContact O-CG1 3.27Å; I34-I38 WeakPolarHBondContact O-CG1 3.39Å; I34-I38 PolarHBondContact O-N 2.76Å; I35-I38 PolarHBondContact O-N 3.18Å; I38-N44 PolarHBondContact O-ND2 3.41Å; I38-L91 HydrophobicContact CG2-CB 4.27Å; I38-L91 HydrophobicContact CG2-CD2 3.27Å; I38-L91 HydrophobicContact CG2-CG 4.35Å; I38-F93 HydrophobicContact CD1-CB 3.83Å; I38-F93 HydrophobicContact CD1-CD1 3.65Å; I38-F93 HydrophobicContact CD1-CG 4.02Å; I38-F93 HydrophobicContact CG1-CB 4.4Å
39	I	84.2	Confident	84.4	Confident	31 Å²	31	73.7 Å²	73.7	16%	0.159	39%	0.392	C	S	.	.	H	α-helix	trans	-73	-41.6	-177.2	-66.5	172	0	0	0	111.4	I35 S41 I109 K112	I35-I39 HydrophobicContact CG2-CD1 3.45Å; I35-I39 VanDerWaalsContact CG2-CD1 3.45Å; I35-I39 HydrophobicContact CG2-CG1 4.29Å; I35-I39 WeakPolarHBondContact O-CB 3.48Å; I35-I39 VanDerWaalsContact O-CG1 3.24Å; I35-I39 WeakPolarHBondContact O-CG1 3.14Å; I35-I39 PolarHBondContact O-N 3.45Å; I39-S41 VanDerWaalsContact C-N 3.33Å; I39-I109 HydrophobicContact CD1-CB 4.21Å; I39-I109 HydrophobicContact CD1-CD1 4.02Å; I39-I109 HydrophobicContact CD1-CG1 3.75Å; I39-I109 HydrophobicContact CD1-CG2 3.51Å; I39-I109 HydrophobicContact CG1-CG2 4.02Å; I39-K112 HydrophobicContact CG2-CD 3.9Å
40	N	83	Confident	84.6	Confident	121 Å²	121	73.7 Å²	73.7	65%	0.647	39%	0.39	S	S	*	.	H	α-helix	trans	-90.9	3.1	-177	-60.7	-41.9	0	0	0	113.2	D36 D42	D36-N40 VanDerWaalsContact O-CB 3.3Å; D36-N40 WeakPolarHBondContact O-CB 3.3Å; D36-N40 PolarHBondContact O-N 3.08Å; D36-N40 VanDerWaalsContact O-N 3.1Å; D36-N40 PolarHBondContact O-ND2 3.3Å; D36-N40 VanDerWaalsContact O-ND2 3.1Å; N40-D42 PolarHBondContact O-N 3.25Å
41	S	79.5	Confident	84.6	Confident	41 Å²	41	71.3 Å²	71.3	29%	0.287	38%	0.377	S	S	.	.			trans	-63.5	130.7	173.9	-176.9	0	0	0	0	110.1	I37 I39 T43 N44	I37-S41 VanDerWaalsContact O-CB 3.32Å; I37-S41 WeakPolarHBondContact O-CB 3.19Å; I37-S41 PolarHBondContact O-N 3.26Å; I39-S41 VanDerWaalsContact C-N 3.33Å; S41-T43 PolarHBondContact O-N 2.91Å; S41-T43 PolarHBondContact OG-N 3.34Å; S41-T43 PolarHBondContact OG-OG1 3.39Å; S41-N44 PolarHBondContact O-N 2.87Å
42	D	70.9	Confident	84.6	Confident	169 Å²	169	74.8 Å²	74.8	90%	0.904	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-19	175	-66.2	-40.2	0	0	0	112.9	N40	N40-D42 PolarHBondContact O-N 3.25Å
43	T	72.7	Confident	84.7	Confident	88 Å²	88	73.9 Å²	73.9	54%	0.54	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-21.9	177.7	58.9	0	0	0	0	113.7	S41 N45	S41-T43 PolarHBondContact O-N 2.91Å; S41-T43 PolarHBondContact OG-N 3.34Å; S41-T43 PolarHBondContact OG-OG1 3.39Å; T43-N45 PolarHBondContact O-N 2.93Å
44	N	74.5	Confident	85	Confident	26 Å²	26	72 Å²	72	14%	0.139	39%	0.391	C	S	.	.			trans	-86.7	91.9	-176.9	-173	-1.8	0	0	0	109.9	I38 S41	I38-N44 PolarHBondContact O-ND2 3.41Å; S41-N44 PolarHBondContact O-N 2.87Å
45	N	81.3	Confident	85.3	Confident	85 Å²	85	72.2 Å²	72.2	46%	0.455	39%	0.392	S	S	.	.			trans	-111.4	103.3	174.7	-174.3	-7.9	0	0	0	110.8	T43 H47 R48	T43-N45 PolarHBondContact O-N 2.93Å; N45-H47 PolarHBondContact O-N 3.26Å; N45-H47 WeakPolarHBondContact OD1-CB 3.32Å; N45-H47 PolarHBondContact OD1-CD2 3.38Å; N45-H47 PolarHBondContact OD1-N 3.2Å; N45-R48 HydrophobicContact CB-CB 4.48Å; N45-R48 PolarHBondContact O-N 3.5Å
46	K	84.5	Confident	85.7	Confident	94 Å²	94	73.3 Å²	73.3	41%	0.409	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-18.7	178.1	75.7	177.6	-171.9	175.4	0	115.3	R48 K112	K46-R48 VanDerWaalsContact C-N 3.35Å; K46-K112 WeakPolarHBondContact CB-O 3.37Å
47	H	84.7	Confident	86.2	Confident	146 Å²	146	68.8 Å²	68.8	68%	0.676	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-6.6	-179.2	-60.4	-70.2	0	0	0	113.2	N45	N45-H47 PolarHBondContact O-N 3.26Å; N45-H47 WeakPolarHBondContact OD1-CB 3.32Å; N45-H47 PolarHBondContact OD1-CD2 3.38Å; N45-H47 PolarHBondContact OD1-N 3.2Å
48	R	86.7	Confident	86.7	Confident	169 Å²	169	69.1 Å²	69.1	64%	0.638	37%	0.374	S	S	*	.	S	Bend	trans	-120.7	140	-177.6	-173.1	-179.1	174	175.4	-0.6	110.2	N45 K46	N45-R48 HydrophobicContact CB-CB 4.48Å; N45-R48 PolarHBondContact O-N 3.5Å; K46-R48 VanDerWaalsContact C-N 3.35Å
49	V	90.6	Very high	87.2	Confident	19 Å²	19	68 Å²	68	12%	0.115	37%	0.369	C	S	.	.			trans	-59.1	130.1	171.2	-177.7	0	0	0	0	109.3	D51 V55 W114 Y181 E185	V49-D51 VanDerWaalsContact C-N 3.29Å; V49-D51 PolarHBondContact O-N 2.73Å; V49-V55 HydrophobicContact CG1-CB 4.46Å; V49-V55 HydrophobicContact CG1-CG2 3.71Å; V49-W114 HydrophobicContact CB-CZ2 4.48Å; V49-W114 HydrophobicContact CG1-CZ2 4.18Å; V49-W114 HydrophobicContact CG2-CZ2 4.16Å; V49-Y181 HydrophobicContact CG2-CD1 3.93Å; V49-Y181 HydrophobicContact CG2-CE1 3.94Å; V49-E185 HydrophobicContact CG2-CB 4.18Å; V49-E185 HydrophobicContact CG2-CG 4.42Å
50	P	89.2	Confident	87.9	Confident	28 Å²	28	68.7 Å²	68.7	18%	0.182	37%	0.371	C	S	.	.	S	Bend	trans	-55.9	-36.7	-173.6	-31.9	34.9	0	0	0	115.5	V55 D88 W114	P50-V55 HydrophobicContact CB-CG2 4.31Å; P50-V55 HydrophobicContact CG-CG2 4.36Å; P50-D88 HydrophobicContact CB-CB 4.33Å; P50-D88 WeakPolarHBondContact CB-OD1 3.42Å; P50-D88 HydrophobicContact CG-CB 4.36Å; P50-D88 VanDerWaalsContact CG-OD2 3.28Å; P50-D88 WeakPolarHBondContact CG-OD2 3.43Å; P50-W114 HydrophobicContact CG-CB 4.3Å; P50-W114 HydrophobicContact CG-CD2 3.87Å; P50-W114 HydrophobicContact CG-CE3 3.66Å; P50-W114 HydrophobicContact CG-CG 4.16Å; P50-W114 HydrophobicContact CG-CZ3 4.26Å
51	D	89.9	Confident	88.6	Confident	65 Å²	65	63 Å²	63	35%	0.348	34%	0.34	S	S	.	.	S	Bend	trans	-113.9	133.2	177.1	-169.7	-3	0	0	0	110.7	V49 A53 G54 V55	V49-D51 VanDerWaalsContact C-N 3.29Å; V49-D51 PolarHBondContact O-N 2.73Å; D51-A53 PolarHBondContact O-N 3.04Å; D51-A53 PolarHBondContact OD1-N 3.21Å; D51-A53 VanDerWaalsContact OD1-N 3.07Å; D51-G54 PolarHBondContact O-N 2.99Å; D51-G54 VanDerWaalsContact O-N 3.12Å; D51-V55 HydrophobicContact CB-CG2 4.33Å
52	S	87.6	Confident	89.4	Confident	112 Å²	112	65.6 Å²	65.6	78%	0.783	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.9	173	54.8	0	0	0	0	114.1	G54	S52-G54 VanDerWaalsContact C-N 3.27Å
53	A	92.2	Very high	90.6	Very high	66 Å²	66	57.5 Å²	57.5	55%	0.545	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	0.1	176.6	0	0	0	0	0	113.7	D51	D51-A53 PolarHBondContact O-N 3.04Å; D51-A53 PolarHBondContact OD1-N 3.21Å; D51-A53 VanDerWaalsContact OD1-N 3.07Å
54	G	93.6	Very high	91.6	Very high	12 Å²	12	55.6 Å²	55.6	12%	0.124	29%	0.286	C	S	.	.			trans	87.7	158.7	-173.2	0	0	0	0	0	113.2	D51 S52 D184 E185	D51-G54 PolarHBondContact O-N 2.99Å; D51-G54 VanDerWaalsContact O-N 3.12Å; S52-G54 VanDerWaalsContact C-N 3.27Å; G54-D184 WeakPolarHBondContact CA-O 3.43Å; G54-E185 CarbonylContact C-O 3.57Å; G54-E185 WeakPolarHBondContact CA-O 3.47Å
55	V	96.2	Very high	92.5	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.024	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.5	-176.8	176.8	0	0	0	0	109.5	V49 P50 D51 V57 W86 W114 E185 V186 K187	V49-V55 HydrophobicContact CG1-CB 4.46Å; V49-V55 HydrophobicContact CG1-CG2 3.71Å; P50-V55 HydrophobicContact CB-CG2 4.31Å; P50-V55 HydrophobicContact CG-CG2 4.36Å; D51-V55 HydrophobicContact CB-CG2 4.33Å; V55-V57 HydrophobicContact CG1-CG2 4.24Å; V55-W86 HydrophobicContact CG1-CB 3.61Å; V55-W86 HydrophobicContact CG1-CG 4.01Å; V55-W114 HydrophobicContact CB-CH2 4.18Å; V55-W114 HydrophobicContact CB-CZ3 4.47Å; V55-W114 HydrophobicContact CG1-CH2 4.35Å; V55-W114 HydrophobicContact CG1-CZ3 4.26Å; V55-W114 HydrophobicContact CG2-CH2 4.34Å; V55-W114 HydrophobicContact CG2-CZ3 4.46Å; V55-E185 PolarHBondContact N-O 2.7Å; V55-V186 CarbonylContact O-C 3.46Å; V55-V186 WeakPolarHBondContact O-CA 3.32Å; V55-K187 PolarHBondContact O-N 3.3Å
56	T	97.2	Very high	93.1	Very high	54 Å²	54	54.8 Å²	54.8	33%	0.331	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124	170.2	-57.3	0	0	0	0	109.4	F58 K187 R189	T56-F58 HydrophobicContact CG2-CE1 4.35Å; T56-F58 HydrophobicContact CG2-CE2 4.02Å; T56-F58 HydrophobicContact CG2-CZ 3.9Å; T56-K187 WeakPolarHBondContact CA-O 3.43Å; T56-K187 HydrophobicContact CG2-CB 4.39Å; T56-R189 HydrophobicContact CG2-CB 4.39Å; T56-R189 HydrophobicContact CG2-CG 3.79Å
57	V	97.8	Very high	93.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.8	-179.3	-176.7	0	0	0	0	108.2	V55 V59 E84 W86 P116 V186 K187 M188 R189	V55-V57 HydrophobicContact CG1-CG2 4.24Å; V57-V59 HydrophobicContact CG1-CG2 4.14Å; V57-E84 HydrophobicContact CG1-CB 3.99Å; V57-W86 HydrophobicContact CG2-CB 4.14Å; V57-P116 HydrophobicContact CG1-CG 4.25Å; V57-P116 HydrophobicContact CG2-CB 3.75Å; V57-P116 HydrophobicContact CG2-CG 4.21Å; V57-V186 HydrophobicContact CG2-CG1 3.81Å; V57-K187 PolarHBondContact N-O 3.13Å; V57-M188 HydrophobicContact CB-SD 3.93Å; V57-M188 HydrophobicContact CG1-SD 4.28Å; V57-M188 HydrophobicContact CG2-SD 4.39Å; V57-R189 PolarHBondContact O-N 3.43Å
58	F	98	Very high	93.9	Very high	99 Å²	99	47.8 Å²	47.8	43%	0.434	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.5	173.9	-64	-80.3	0	0	0	109.9	T56 E84 M85 R189	T56-F58 HydrophobicContact CG2-CE1 4.35Å; T56-F58 HydrophobicContact CG2-CE2 4.02Å; T56-F58 HydrophobicContact CG2-CZ 3.9Å; F58-E84 CarbonylContact O-C 3.59Å; F58-E84 WeakPolarHBondContact O-CA 3.35Å; F58-M85 HydrophobicContact CB-CB 4.41Å; F58-M85 PolarHBondContact N-O 2.96Å; F58-M85 PolarHBondContact O-N 2.97Å; F58-R189 CarbonylContact C-O 3.54Å; F58-R189 VanDerWaalsContact CA-O 3.3Å; F58-R189 WeakPolarHBondContact CA-O 3.26Å; F58-R189 HydrophobicContact CD1-CB 3.97Å; F58-R189 HydrophobicContact CE1-CB 4.1Å
59	V	98.1	Very high	94.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.3	-177.1	-176.4	0	0	0	0	110.9	V57 F61 I82 N83 E84 Y176 M188 R189 G191 L228	V57-V59 HydrophobicContact CG1-CG2 4.14Å; V59-F61 HydrophobicContact CG1-CD1 3.94Å; V59-F61 HydrophobicContact CG1-CE1 3.44Å; V59-F61 VanDerWaalsContact CG1-CE1 3.44Å; V59-F61 HydrophobicContact CG1-CZ 4.08Å; V59-I82 HydrophobicContact CG1-CG2 4.29Å; V59-N83 CarbonylContact C-O 3.52Å; V59-N83 VanDerWaalsContact CA-O 3.25Å; V59-N83 WeakPolarHBondContact CA-O 3.25Å; V59-E84 HydrophobicContact CG2-CG 4.44Å; V59-Y176 HydrophobicContact CG1-CD1 4.03Å; V59-Y176 HydrophobicContact CG1-CE1 4Å; V59-Y176 HydrophobicContact CG2-CD1 4.3Å; V59-Y176 HydrophobicContact CG2-CE1 4.15Å; V59-M188 HydrophobicContact CG2-CE 3.62Å; V59-R189 PolarHBondContact N-O 3.24Å; V59-G191 PolarHBondContact O-N 2.68Å; V59-L228 HydrophobicContact CB-CD1 3.66Å; V59-L228 HydrophobicContact CG1-CD1 4.33Å; V59-L228 HydrophobicContact CG2-CD1 3.77Å
60	E	97.3	Very high	94.5	Very high	45 Å²	45	40.9 Å²	40.9	21%	0.21	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.6	172.7	-60	-173.9	157.6	0	0	110.3	N83 K192 S193	E60-N83 HydrophobicContact CB-CB 4.21Å; E60-N83 PolarHBondContact N-O 3.14Å; E60-N83 WeakPolarHBondContact O-CB 3.36Å; E60-N83 PolarHBondContact O-N 2.85Å; E60-N83 PolarHBondContact O-ND2 3.38Å; E60-K192 PolarHBondContact OE1-N 3.35Å; E60-S193 WeakPolarHBondContact CB-O 3.2Å; E60-S193 VanDerWaalsContact CG-O 3.29Å; E60-S193 WeakPolarHBondContact CG-O 3.34Å; E60-S193 PolarHBondContact OE1-N 3.29Å
61	F	97.5	Very high	94.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.7	177.9	-63.8	-26.2	0	0	0	111.4	V59 M80 I82 F120 Y176 W190 K194 V195 L196 V230	V59-F61 HydrophobicContact CG1-CD1 3.94Å; V59-F61 HydrophobicContact CG1-CE1 3.44Å; V59-F61 VanDerWaalsContact CG1-CE1 3.44Å; V59-F61 HydrophobicContact CG1-CZ 4.08Å; F61-M80 HydrophobicContact CB-SD 4.23Å; F61-M80 HydrophobicContact CD1-SD 4.12Å; F61-M80 HydrophobicContact CD2-SD 4.35Å; F61-M80 HydrophobicContact CG-SD 4Å; F61-I82 HydrophobicContact CD1-CB 4.3Å; F61-I82 HydrophobicContact CD1-CG1 4.01Å; F61-I82 HydrophobicContact CD1-CG2 4.06Å; F61-I82 HydrophobicContact CE1-CB 4.3Å; F61-I82 HydrophobicContact CE1-CD1 4.47Å; F61-I82 HydrophobicContact CE1-CG1 3.96Å; F61-I82 HydrophobicContact CE1-CG2 3.73Å; F61-F120 HydrophobicContact CE1-CE1 4.43Å; F61-F120 HydrophobicContact CE1-CZ 4.25Å; F61-F120 AromaticContact CE2-CE1 3.95Å; F61-F120 HydrophobicContact CE2-CE1 3.95Å; F61-F120 HydrophobicContact CE2-CZ 4.34Å; F61-F120 AromaticContact CZ-CE1 3.67Å; F61-F120 HydrophobicContact CZ-CE1 3.67Å; F61-F120 AromaticContact CZ-CZ 3.92Å; F61-F120 HydrophobicContact CZ-CZ 3.92Å; F61-Y176 HydrophobicContact CE1-CD1 4.23Å; F61-Y176 HydrophobicContact CE1-CE1 4.42Å; F61-Y176 HydrophobicContact CE1-CG 4.27Å; F61-Y176 AromaticContact CZ-CD1 3.99Å; F61-Y176 HydrophobicContact CZ-CD1 3.99Å; F61-Y176 HydrophobicContact CZ-CD2 4.13Å; F61-Y176 AromaticContact CZ-CG 3.7Å; F61-Y176 HydrophobicContact CZ-CG 3.7Å; F61-W190 AromaticContact CD2-CH2 3.65Å; F61-W190 HydrophobicContact CD2-CH2 3.65Å; F61-W190 AromaticContact CD2-CZ3 3.83Å; F61-W190 HydrophobicContact CD2-CZ3 3.83Å; F61-W190 AromaticContact CE2-CH2 3.47Å; F61-W190 HydrophobicContact CE2-CH2 3.47Å; F61-W190 VanDerWaalsContact CE2-CH2 3.47Å; F61-W190 AromaticContact CE2-CZ3 3.93Å; F61-W190 HydrophobicContact CE2-CZ3 3.93Å; F61-W190 HydrophobicContact CG-CH2 4.49Å; F61-W190 HydrophobicContact CG-CZ3 4.23Å; F61-W190 HydrophobicContact CZ-CH2 4.17Å; F61-W190 HydrophobicContact CZ-CZ3 4.39Å; F61-K194 PolarHBondContact N-O 3.47Å; F61-V195 HydrophobicContact CB-CG1 4.49Å; F61-V195 HydrophobicContact CB-CG2 4.42Å; F61-V195 CarbonylContact O-C 3.55Å; F61-V195 VanDerWaalsContact O-CA 3.28Å; F61-V195 WeakPolarHBondContact O-CA 3.18Å; F61-L196 PolarHBondContact O-N 3.38Å; F61-V230 HydrophobicContact CD2-CB 4.45Å; F61-V230 HydrophobicContact CD2-CG1 4.03Å; F61-V230 HydrophobicContact CE2-CB 4.48Å; F61-V230 HydrophobicContact CE2-CG1 3.84Å
62	W	96.4	Very high	94.7	Very high	96 Å²	96	42.8 Å²	42.8	36%	0.364	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	101.2	172.8	-56.3	2.5	0	0	0	108.5	Q64 M80 Y81 N83 L196	W62-Q64 PolarHBondContact O-N 3.32Å; W62-M80 CarbonylContact O-C 3.53Å; W62-M80 VanDerWaalsContact O-CA 3.3Å; W62-M80 WeakPolarHBondContact O-CA 3.33Å; W62-M80 WeakPolarHBondContact O-CB 3.26Å; W62-Y81 HydrophobicContact CB-CD2 4.49Å; W62-Y81 PolarHBondContact N-O 3.45Å; W62-Y81 PolarHBondContact O-N 3.48Å; W62-N83 PolarHBondContact NE1-ND2 2.97Å; W62-L196 CarbonylContact C-O 3.47Å; W62-L196 WeakPolarHBondContact CA-O 3.39Å; W62-L196 HydrophobicContact CG-CB 4.31Å
63	V	96	Very high	94.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	119.9	-180	-173	0	0	0	0	108.2	I66 V195 L196 S198 F201 F232	V63-I66 HydrophobicContact CG1-CG1 4.06Å; V63-V195 HydrophobicContact CG2-CG1 3.89Å; V63-L196 PolarHBondContact N-O 3.01Å; V63-S198 WeakPolarHBondContact O-CB 3.18Å; V63-S198 PolarHBondContact O-N 3.06Å; V63-S198 PolarHBondContact O-OG 3.02Å; V63-F201 HydrophobicContact CB-CE2 4.13Å; V63-F201 HydrophobicContact CB-CZ 3.83Å; V63-F201 HydrophobicContact CG1-CE1 4.3Å; V63-F201 HydrophobicContact CG1-CE2 3.73Å; V63-F201 HydrophobicContact CG1-CZ 3.51Å; V63-F201 WeakPolarHBondContact O-CZ 3.48Å; V63-F232 HydrophobicContact CG2-CE1 4.02Å; V63-F232 HydrophobicContact CG2-CZ 4.15Å
64	Q	94.1	Very high	95	Very high	48 Å²	48	39.9 Å²	39.9	22%	0.224	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-46.6	179	177.8	170.8	50.8	0	0	110.5	W62 D79 Y81 R151 K199 F201	W62-Q64 PolarHBondContact O-N 3.32Å; Q64-D79 WeakPolarHBondContact CA-O 3.33Å; Q64-D79 WeakPolarHBondContact CB-O 3.37Å; Q64-D79 PolarHBondContact N-O 3Å; Q64-Y81 HydrophobicContact CB-CD2 4.44Å; Q64-Y81 HydrophobicContact CB-CE2 4.12Å; Q64-Y81 HydrophobicContact CG-CE2 4.36Å; Q64-Y81 PolarHBondContact NE2-OH 3.49Å; Q64-R151 VanDerWaalsContact OE1-NH2 3.11Å; Q64-K199 WeakPolarHBondContact O-CE 3.48Å; Q64-F201 VanDerWaalsContact O-CE1 3.32Å; Q64-F201 WeakPolarHBondContact O-CE1 3.44Å
65	E	93.4	Very high	95.1	Very high	86 Å²	86	39.7 Å²	39.7	40%	0.402	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	148.5	179.7	-170.6	153.8	165.4	0	0	110.9	M78 D79 K199	E65-M78 WeakPolarHBondContact O-CA 3.48Å; E65-M78 VanDerWaalsContact O-CB 3.29Å; E65-M78 WeakPolarHBondContact O-CB 3.49Å; E65-D79 PolarHBondContact N-O 3.14Å; E65-D79 VanDerWaalsContact N-O 3.12Å; E65-D79 PolarHBondContact O-N 3.41Å; E65-K199 IonicContact OE2-NZ 2.74Å; E65-K199 PolarHBondContact OE2-NZ 3.42Å
66	I	94.3	Very high	95.2	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.036	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114	168.3	-54.2	175.5	0	0	0	105.9	V63 V69 M78 F201 L203 L208 F234	V63-I66 HydrophobicContact CG1-CG1 4.06Å; I66-V69 HydrophobicContact CG2-CG2 4.4Å; I66-M78 HydrophobicContact CB-CB 4.43Å; I66-M78 HydrophobicContact CG1-CB 4.23Å; I66-M78 HydrophobicContact CG2-CB 4.44Å; I66-F201 HydrophobicContact CD1-CD2 3.98Å; I66-F201 HydrophobicContact CD1-CE2 4.44Å; I66-F201 HydrophobicContact CD1-CG 4.46Å; I66-F201 HydrophobicContact CG1-CD2 4.26Å; I66-F201 HydrophobicContact CG1-CG 4.41Å; I66-L203 HydrophobicContact CB-CD1 4.35Å; I66-L203 HydrophobicContact CB-CD2 4.41Å; I66-L203 HydrophobicContact CG2-CD1 4.03Å; I66-L203 HydrophobicContact CG2-CD2 4.09Å; I66-L203 VanDerWaalsContact O-CD2 3.28Å; I66-L203 WeakPolarHBondContact O-CD2 3.35Å; I66-L208 HydrophobicContact CD1-CD1 4.45Å; I66-L208 HydrophobicContact CD1-CD2 4.05Å; I66-F234 HydrophobicContact CD1-CE1 3.69Å; I66-F234 HydrophobicContact CD1-CZ 3.89Å; I66-F234 HydrophobicContact CG2-CE1 4.08Å; I66-F234 HydrophobicContact CG2-CZ 4.07Å
67	S	92.5	Very high	95.1	Very high	49 Å²	49	38.9 Å²	38.9	34%	0.343	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-43.1	-167.7	-54.5	0	0	0	0	111.6	E77 D79	S67-E77 PolarHBondContact N-O 3.03Å; S67-D79 PolarHBondContact OG-OD2 3.39Å
68	S	93.8	Very high	95	Very high	44 Å²	44	38.9 Å²	38.9	31%	0.308	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	153.6	178.5	64.1	0	0	0	0	112	F76 E77	S68-F76 CarbonylContact O-C 3.5Å; S68-F76 VanDerWaalsContact O-CA 3.28Å; S68-F76 WeakPolarHBondContact O-CA 3.43Å; S68-E77 PolarHBondContact N-O 3.1Å; S68-E77 PolarHBondContact O-N 2.75Å
69	V	95.1	Very high	94.9	Very high	13 Å²	13	35.2 Å²	35.2	8%	0.079	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.1	166.5	-179.5	0	0	0	0	105.1	I66 F76 M160 L203 F206 F234	I66-V69 HydrophobicContact CG2-CG2 4.4Å; V69-F76 HydrophobicContact CG2-CB 4.11Å; V69-M160 HydrophobicContact CG1-CE 3.63Å; V69-L203 HydrophobicContact CG2-CD1 4.13Å; V69-F206 HydrophobicContact CB-CD2 3.87Å; V69-F206 HydrophobicContact CB-CE2 3.99Å; V69-F206 HydrophobicContact CG1-CD2 4.14Å; V69-F206 HydrophobicContact CG1-CE2 3.89Å; V69-F206 HydrophobicContact CG1-CZ 4.16Å; V69-F234 HydrophobicContact CG2-CD1 4.07Å; V69-F234 HydrophobicContact CG2-CD2 4.23Å; V69-F234 HydrophobicContact CG2-CE1 3.95Å; V69-F234 HydrophobicContact CG2-CE2 4.11Å; V69-F234 HydrophobicContact CG2-CG 4.2Å; V69-F234 HydrophobicContact CG2-CZ 3.96Å
70	S	93.7	Very high	94.8	Very high	30 Å²	30	35.2 Å²	35.2	21%	0.21	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.5	-172.5	170.8	0	0	0	0	110.3	T73 S74 D75 M160	S70-T73 WeakPolarHBondContact CB-OG1 3Å; S70-T73 PolarHBondContact OG-N 2.99Å; S70-T73 PolarHBondContact OG-OG1 3.28Å; S70-S74 WeakPolarHBondContact O-CA 3.42Å; S70-S74 PolarHBondContact O-N 3.01Å; S70-D75 PolarHBondContact N-O 2.89Å; S70-D75 PolarHBondContact O-N 3.35Å; S70-M160 WeakPolarHBondContact O-CE 3.48Å
71	E	91.4	Very high	94.8	Very high	24 Å²	24	35.9 Å²	35.9	11%	0.112	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-29.6	174.4	-50.1	87.3	162.3	0	0	111.5	T73 L162 F206 R236 P293	E71-T73 VanDerWaalsContact C-N 3.34Å; E71-T73 PolarHBondContact O-N 2.96Å; E71-L162 HydrophobicContact CG-CD2 4.35Å; E71-F206 HydrophobicContact CG-CZ 4.37Å; E71-F206 WeakPolarHBondContact OE1-CE2 2.69Å; E71-F206 WeakPolarHBondContact OE1-CZ 3.21Å; E71-R236 IonicContact OE1-CZ 2.71Å; E71-R236 IonicContact OE1-NH1 3.75Å; E71-R236 PolarHBondContact OE1-NH1 2.86Å; E71-R236 IonicContact OE1-NH2 2.68Å; E71-R236 PolarHBondContact OE1-NH2 3.21Å; E71-P293 HydrophobicContact CB-CG 4.18Å; E71-P293 WeakPolarHBondContact O-CG 3.45Å
72	L	91.6	Very high	94.8	Very high	109 Å²	109	36.1 Å²	36.1	57%	0.571	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-40.2	179.9	-68.7	175.6	0	0	0	112.1	P293	L72-P293 HydrophobicContact CD2-CB 4.44Å
73	T	93.3	Very high	94.9	Very high	68 Å²	68	31.7 Å²	31.7	42%	0.417	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-4.1	-179.5	48.2	0	0	0	0	113.1	S70 E71 D75 K124	S70-T73 WeakPolarHBondContact CB-OG1 3Å; S70-T73 PolarHBondContact OG-N 2.99Å; S70-T73 PolarHBondContact OG-OG1 3.28Å; E71-T73 VanDerWaalsContact C-N 3.34Å; E71-T73 PolarHBondContact O-N 2.96Å; T73-D75 VanDerWaalsContact C-N 3.34Å; T73-D75 WeakPolarHBondContact CB-OD1 3.44Å; T73-D75 WeakPolarHBondContact CB-OD2 3.26Å; T73-D75 PolarHBondContact O-N 3.43Å; T73-D75 VanDerWaalsContact OG1-CG 3.24Å; T73-D75 PolarHBondContact OG1-OD1 3.31Å; T73-D75 PolarHBondContact OG1-OD2 3.35Å; T73-K124 PolarHBondContact O-NZ 3.35Å
74	S	94	Very high	94.9	Very high	50 Å²	50	31.7 Å²	31.7	35%	0.35	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	52.3	-176.2	-54.8	0	0	0	0	111.9	S70 K124 C158	S70-S74 WeakPolarHBondContact O-CA 3.42Å; S70-S74 PolarHBondContact O-N 3.01Å; S74-K124 PolarHBondContact O-NZ 3.46Å; S74-C158 PolarHBondContact O-N 3.03Å; S74-C158 VanDerWaalsContact O-N 3.08Å
75	D	96.2	Very high	95.1	Very high	7 Å²	7	33 Å²	33	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	165.4	177.2	42.8	54.7	0	0	0	112.6	S70 T73 K124 K155 G156	S70-D75 PolarHBondContact N-O 2.89Å; S70-D75 PolarHBondContact O-N 3.35Å; T73-D75 VanDerWaalsContact C-N 3.34Å; T73-D75 WeakPolarHBondContact CB-OD1 3.44Å; T73-D75 WeakPolarHBondContact CB-OD2 3.26Å; T73-D75 PolarHBondContact O-N 3.43Å; T73-D75 VanDerWaalsContact OG1-CG 3.24Å; T73-D75 PolarHBondContact OG1-OD1 3.31Å; T73-D75 PolarHBondContact OG1-OD2 3.35Å; D75-K124 HydrophobicContact CB-CD 4.02Å; D75-K124 IonicContact OD2-NZ 2.66Å; D75-K124 PolarHBondContact OD2-NZ 3.47Å; D75-K155 HydrophobicContact CB-CG 4.23Å; D75-K155 WeakPolarHBondContact OD1-CE 3.19Å; D75-K155 IonicContact OD1-NZ 3.91Å; D75-K155 PolarHBondContact OD1-NZ 3.41Å; D75-K155 WeakPolarHBondContact OD2-CE 3.39Å; D75-K155 IonicContact OD2-NZ 2.99Å; D75-K155 PolarHBondContact OD2-NZ 3.04Å; D75-G156 WeakPolarHBondContact CA-O 3.42Å; D75-G156 WeakPolarHBondContact CB-O 3.49Å
76	F	96.5	Very high	95.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.1	172.6	75.3	-67.2	0	0	0	109.6	S68 V69 M78 K155 G156 C158 C172 L174 F232 F234	S68-F76 CarbonylContact O-C 3.5Å; S68-F76 VanDerWaalsContact O-CA 3.28Å; S68-F76 WeakPolarHBondContact O-CA 3.43Å; V69-F76 HydrophobicContact CG2-CB 4.11Å; F76-M78 HydrophobicContact CD2-CE 4.36Å; F76-M78 HydrophobicContact CD2-SD 4.45Å; F76-M78 HydrophobicContact CE2-CE 3.35Å; F76-M78 HydrophobicContact CE2-CG 4.33Å; F76-M78 HydrophobicContact CE2-SD 3.81Å; F76-M78 HydrophobicContact CZ-CE 3.73Å; F76-K155 CarbonylContact O-C 3.51Å; F76-K155 WeakPolarHBondContact O-CA 3.44Å; F76-G156 WeakPolarHBondContact CD1-O 3.33Å; F76-G156 PolarHBondContact N-O 3.47Å; F76-G156 PolarHBondContact O-N 3.38Å; F76-C158 HydrophobicContact CD1-CB 4.43Å; F76-C172 HydrophobicContact CD1-CB 3.41Å; F76-C172 VanDerWaalsContact CD1-CB 3.41Å; F76-C172 HydrophobicContact CD2-CB 4.37Å; F76-C172 HydrophobicContact CE1-CB 3.41Å; F76-C172 VanDerWaalsContact CE1-CB 3.41Å; F76-C172 HydrophobicContact CE2-CB 4.33Å; F76-C172 HydrophobicContact CG-CB 3.91Å; F76-C172 HydrophobicContact CZ-CB 3.87Å; F76-L174 HydrophobicContact CE1-CD2 4.48Å; F76-L174 HydrophobicContact CE1-CG 4.39Å; F76-L174 HydrophobicContact CZ-CD1 4.3Å; F76-L174 HydrophobicContact CZ-CD2 4.43Å; F76-L174 HydrophobicContact CZ-CG 3.89Å; F76-F232 AromaticContact CE2-CD2 3.77Å; F76-F232 HydrophobicContact CE2-CD2 3.77Å; F76-F232 HydrophobicContact CE2-CE2 4.19Å; F76-F232 HydrophobicContact CE2-CG 4.43Å; F76-F232 AromaticContact CZ-CD2 3.98Å; F76-F232 HydrophobicContact CZ-CD2 3.98Å; F76-F232 HydrophobicContact CZ-CE2 4.41Å; F76-F234 HydrophobicContact CD2-CE2 4.32Å; F76-F234 HydrophobicContact CD2-CZ 4.31Å
77	E	96.1	Very high	95.3	Very high	42 Å²	42	33 Å²	33	20%	0.196	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.8	-176.7	-170.8	173.3	134.3	0	0	109.1	S67 S68 K153 V154	S67-E77 PolarHBondContact N-O 3.03Å; S68-E77 PolarHBondContact N-O 3.1Å; S68-E77 PolarHBondContact O-N 2.75Å; E77-K153 VanDerWaalsContact CD-CE 3.46Å; E77-K153 WeakPolarHBondContact OE1-CE 3.4Å; E77-K153 IonicContact OE1-NZ 3.47Å; E77-K153 PolarHBondContact OE1-NZ 2.89Å; E77-V154 WeakPolarHBondContact CA-O 3.19Å
78	M	95.7	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	157.2	178.5	61.3	176.4	162.9	0	0	112.1	E65 I66 F76 M80 V154 L174 F232	E65-M78 WeakPolarHBondContact O-CA 3.48Å; E65-M78 VanDerWaalsContact O-CB 3.29Å; E65-M78 WeakPolarHBondContact O-CB 3.49Å; I66-M78 HydrophobicContact CB-CB 4.43Å; I66-M78 HydrophobicContact CG1-CB 4.23Å; I66-M78 HydrophobicContact CG2-CB 4.44Å; F76-M78 HydrophobicContact CD2-CE 4.36Å; F76-M78 HydrophobicContact CD2-SD 4.45Å; F76-M78 HydrophobicContact CE2-CE 3.35Å; F76-M78 HydrophobicContact CE2-CG 4.33Å; F76-M78 HydrophobicContact CE2-SD 3.81Å; F76-M78 HydrophobicContact CZ-CE 3.73Å; M78-M80 HydrophobicContact CE-CE 3.11Å; M78-M80 HydrophobicContact CG-CE 4Å; M78-M80 HydrophobicContact SD-CE 3.39Å; M78-M80 WeakPolarHBondContact SD-CE 3.36Å; M78-V154 HydrophobicContact CE-CG1 3.74Å; M78-V154 HydrophobicContact CG-CG1 3.61Å; M78-V154 PolarHBondContact N-O 3.18Å; M78-V154 PolarHBondContact O-N 3.21Å; M78-V154 HydrophobicContact SD-CG1 4.5Å; M78-L174 HydrophobicContact CE-CD1 3.08Å; M78-L174 HydrophobicContact CE-CG 4.04Å; M78-F232 HydrophobicContact CE-CD2 4.35Å; M78-F232 HydrophobicContact CE-CE2 3.6Å; M78-F232 HydrophobicContact CE-CZ 4.04Å; M78-F232 HydrophobicContact SD-CE2 3.96Å; M78-F232 HydrophobicContact SD-CZ 3.9Å
79	D	95.8	Very high	95.3	Very high	21 Å²	21	32 Å²	32	11%	0.112	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128	173.2	-69.5	-68.9	0	0	0	108.6	Q64 E65 S67 H129 V152 K153	Q64-D79 WeakPolarHBondContact CA-O 3.33Å; Q64-D79 WeakPolarHBondContact CB-O 3.37Å; Q64-D79 PolarHBondContact N-O 3Å; E65-D79 PolarHBondContact N-O 3.14Å; E65-D79 VanDerWaalsContact N-O 3.12Å; E65-D79 PolarHBondContact O-N 3.41Å; S67-D79 PolarHBondContact OG-OD2 3.39Å; D79-H129 IonicContact OD1-CD2 2.67Å; D79-H129 IonicContact OD1-CE1 2.61Å; D79-H129 PolarHBondContact OD1-CE1 3.35Å; D79-H129 IonicContact OD1-NE2 2.89Å; D79-H129 PolarHBondContact OD1-NE2 3.26Å; D79-V152 WeakPolarHBondContact CA-O 3.49Å; D79-K153 WeakPolarHBondContact OD1-CA 3.27Å; D79-K153 VanDerWaalsContact OD1-CB 3.24Å; D79-K153 WeakPolarHBondContact OD1-CB 3.37Å; D79-K153 WeakPolarHBondContact OD1-CG 3.44Å
80	M	96.6	Very high	95	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	161.5	179.9	70.1	172.3	69.6	0	0	111.5	F61 W62 M78 I82 F120 V152 V154 L174	F61-M80 HydrophobicContact CB-SD 4.23Å; F61-M80 HydrophobicContact CD1-SD 4.12Å; F61-M80 HydrophobicContact CD2-SD 4.35Å; F61-M80 HydrophobicContact CG-SD 4Å; W62-M80 CarbonylContact O-C 3.53Å; W62-M80 VanDerWaalsContact O-CA 3.3Å; W62-M80 WeakPolarHBondContact O-CA 3.33Å; W62-M80 WeakPolarHBondContact O-CB 3.26Å; M78-M80 HydrophobicContact CE-CE 3.11Å; M78-M80 HydrophobicContact CG-CE 4Å; M78-M80 HydrophobicContact SD-CE 3.39Å; M78-M80 WeakPolarHBondContact SD-CE 3.36Å; M80-I82 HydrophobicContact CG-CG1 4.17Å; M80-I82 HydrophobicContact SD-CG1 4Å; M80-F120 HydrophobicContact CE-CZ 4.21Å; M80-F120 HydrophobicContact SD-CE2 4.34Å; M80-F120 HydrophobicContact SD-CZ 3.7Å; M80-V152 PolarHBondContact N-O 2.86Å; M80-V152 PolarHBondContact O-N 3.1Å; M80-V154 HydrophobicContact CE-CG1 3.82Å; M80-L174 HydrophobicContact CE-CD1 4.28Å
81	Y	97.1	Very high	94.9	Very high	60 Å²	60	31.9 Å²	31.9	24%	0.235	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.9	162.5	-57.5	-88.5	0	0	0	110.1	W62 Q64 N149 Y150 R151	W62-Y81 HydrophobicContact CB-CD2 4.49Å; W62-Y81 PolarHBondContact N-O 3.45Å; W62-Y81 PolarHBondContact O-N 3.48Å; Q64-Y81 HydrophobicContact CB-CD2 4.44Å; Q64-Y81 HydrophobicContact CB-CE2 4.12Å; Q64-Y81 HydrophobicContact CG-CE2 4.36Å; Q64-Y81 PolarHBondContact NE2-OH 3.49Å; Y81-N149 WeakPolarHBondContact CB-ND2 3.4Å; Y81-N149 VanDerWaalsContact CD1-OD1 3.29Å; Y81-N149 WeakPolarHBondContact CD1-OD1 3.49Å; Y81-Y150 CarbonylContact C-O 3.59Å; Y81-Y150 VanDerWaalsContact CA-O 3.24Å; Y81-Y150 WeakPolarHBondContact CA-O 3.21Å; Y81-R151 HydrophobicContact CD1-CB 3.8Å; Y81-R151 HydrophobicContact CD1-CG 3.98Å; Y81-R151 HydrophobicContact CE1-CB 3.64Å; Y81-R151 HydrophobicContact CE1-CG 3.56Å
82	I	97.6	Very high	95	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.3	173.8	-57.4	173.4	0	0	0	107.5	V59 F61 M80 E84 F120 N149 Y150 V152 Y176	V59-I82 HydrophobicContact CG1-CG2 4.29Å; F61-I82 HydrophobicContact CD1-CB 4.3Å; F61-I82 HydrophobicContact CD1-CG1 4.01Å; F61-I82 HydrophobicContact CD1-CG2 4.06Å; F61-I82 HydrophobicContact CE1-CB 4.3Å; F61-I82 HydrophobicContact CE1-CD1 4.47Å; F61-I82 HydrophobicContact CE1-CG1 3.96Å; F61-I82 HydrophobicContact CE1-CG2 3.73Å; M80-I82 HydrophobicContact CG-CG1 4.17Å; M80-I82 HydrophobicContact SD-CG1 4Å; I82-E84 HydrophobicContact CG2-CG 4.04Å; I82-F120 HydrophobicContact CD1-CE2 3.54Å; I82-F120 HydrophobicContact CD1-CZ 3.75Å; I82-F120 HydrophobicContact CG1-CZ 4.36Å; I82-N149 CarbonylContact O-C 3.55Å; I82-N149 VanDerWaalsContact O-CA 3.27Å; I82-N149 WeakPolarHBondContact O-CA 3.48Å; I82-Y150 HydrophobicContact CB-CD2 4.3Å; I82-Y150 HydrophobicContact CG2-CD2 4.46Å; I82-Y150 PolarHBondContact N-O 3.29Å; I82-Y150 PolarHBondContact O-N 2.92Å; I82-V152 HydrophobicContact CD1-CB 4.1Å; I82-V152 HydrophobicContact CD1-CG2 3.7Å; I82-V152 HydrophobicContact CG1-CG2 4.28Å; I82-Y176 HydrophobicContact CD1-CE2 4Å; I82-Y176 HydrophobicContact CG2-CE1 4.18Å
83	N	97.3	Very high	95	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.3	175.5	-56.9	-83.2	0	0	0	108.9	V59 E60 W62 W147 T148 N149	V59-N83 CarbonylContact C-O 3.52Å; V59-N83 VanDerWaalsContact CA-O 3.25Å; V59-N83 WeakPolarHBondContact CA-O 3.25Å; E60-N83 HydrophobicContact CB-CB 4.21Å; E60-N83 PolarHBondContact N-O 3.14Å; E60-N83 WeakPolarHBondContact O-CB 3.36Å; E60-N83 PolarHBondContact O-N 2.85Å; E60-N83 PolarHBondContact O-ND2 3.38Å; W62-N83 PolarHBondContact NE1-ND2 2.97Å; N83-W147 WeakPolarHBondContact OD1-CZ2 3.22Å; N83-T148 CarbonylContact C-O 3.52Å; N83-T148 VanDerWaalsContact CA-O 3.27Å; N83-T148 WeakPolarHBondContact CA-O 3.49Å; N83-N149 PolarHBondContact OD1-ND2 3.21Å
84	E	97.4	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.1	172.6	-47.7	-170.9	117.5	0	0	109.5	V57 F58 V59 I82 W86 P116 S118 W147 T148 Y150 Y176	V57-E84 HydrophobicContact CG1-CB 3.99Å; F58-E84 CarbonylContact O-C 3.59Å; F58-E84 WeakPolarHBondContact O-CA 3.35Å; V59-E84 HydrophobicContact CG2-CG 4.44Å; I82-E84 HydrophobicContact CG2-CG 4.04Å; E84-W86 HydrophobicContact CB-CE3 4.26Å; E84-W86 HydrophobicContact CB-CZ3 4.04Å; E84-P116 WeakPolarHBondContact OE2-CG 3.44Å; E84-S118 VanDerWaalsContact OE1-CB 3.24Å; E84-S118 WeakPolarHBondContact OE1-CB 3.41Å; E84-S118 PolarHBondContact OE1-OG 2.96Å; E84-S118 PolarHBondContact OE2-OG 3.17Å; E84-W147 WeakPolarHBondContact O-CA 3.46Å; E84-T148 WeakPolarHBondContact CB-OG1 3.13Å; E84-T148 PolarHBondContact N-O 2.93Å; E84-T148 PolarHBondContact O-N 3.36Å; E84-T148 PolarHBondContact O-OG1 3.3Å; E84-Y150 HydrophobicContact CG-CE2 4.2Å; E84-Y150 WeakPolarHBondContact OE2-CE2 3.22Å; E84-Y176 WeakPolarHBondContact OE1-CE1 3.4Å; E84-Y176 PolarHBondContact OE1-OH 2.94Å; E84-Y176 VanDerWaalsContact OE1-OH 3.12Å
85	M	97.1	Very high	94.7	Very high	75 Å²	75	34.5 Å²	34.5	37%	0.369	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.2	179.7	-168.1	-178.6	-64.7	0	0	110.2	F58 T145 V146 W147	F58-M85 HydrophobicContact CB-CB 4.41Å; F58-M85 PolarHBondContact N-O 2.96Å; F58-M85 PolarHBondContact O-N 2.97Å; M85-T145 HydrophobicContact CG-CG2 3.6Å; M85-T145 HydrophobicContact SD-CG2 4.04Å; M85-V146 VanDerWaalsContact CA-O 3.3Å; M85-V146 WeakPolarHBondContact CA-O 3.46Å; M85-W147 HydrophobicContact CE-CG 4.26Å
86	W	96.8	Very high	94.3	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.027	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	165	175.3	68.9	95.3	0	0	0	111	V55 V57 E84 W114 P116 T145 V146 T148	V55-W86 HydrophobicContact CG1-CB 3.61Å; V55-W86 HydrophobicContact CG1-CG 4.01Å; V57-W86 HydrophobicContact CG2-CB 4.14Å; E84-W86 HydrophobicContact CB-CE3 4.26Å; E84-W86 HydrophobicContact CB-CZ3 4.04Å; W86-W114 AromaticContact NE1-CE3 3.93Å; W86-W114 AromaticContact NE1-CZ3 3.87Å; W86-P116 HydrophobicContact CE3-CG 4.48Å; W86-P116 HydrophobicContact CZ3-CG 4.31Å; W86-T145 CarbonylContact O-C 3.6Å; W86-T145 WeakPolarHBondContact O-CA 3.15Å; W86-V146 HydrophobicContact CD2-CB 4Å; W86-V146 HydrophobicContact CD2-CG1 4.49Å; W86-V146 HydrophobicContact CE3-CB 4.44Å; W86-V146 HydrophobicContact CH2-CB 4.24Å; W86-V146 HydrophobicContact CH2-CG1 3.68Å; W86-V146 HydrophobicContact CZ2-CB 3.75Å; W86-V146 HydrophobicContact CZ2-CG1 3.49Å; W86-V146 VanDerWaalsContact CZ2-CG1 3.49Å; W86-V146 HydrophobicContact CZ2-CG2 4.25Å; W86-V146 HydrophobicContact CZ3-CG1 4.23Å; W86-V146 PolarHBondContact N-O 2.94Å; W86-V146 PolarHBondContact O-N 3.41Å; W86-T148 HydrophobicContact CH2-CG2 3.49Å; W86-T148 VanDerWaalsContact CH2-CG2 3.49Å; W86-T148 HydrophobicContact CZ3-CG2 3.73Å
87	L	96	Very high	93.9	Very high	87 Å²	87	41.7 Å²	41.7	46%	0.455	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.2	175	-177.5	67.1	0	0	0	109.5
88	D	94.3	Very high	93.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.215	C	C	.	.			trans	-119.4	101.3	171.3	-171.5	-27	0	0	0	109.4	P50 T90 L91 G144 V146	P50-D88 HydrophobicContact CB-CB 4.33Å; P50-D88 WeakPolarHBondContact CB-OD1 3.42Å; P50-D88 HydrophobicContact CG-CB 4.36Å; P50-D88 VanDerWaalsContact CG-OD2 3.28Å; P50-D88 WeakPolarHBondContact CG-OD2 3.43Å; D88-T90 PolarHBondContact O-N 3.42Å; D88-T90 VanDerWaalsContact O-N 3.15Å; D88-T90 WeakPolarHBondContact OD1-CA 3.32Å; D88-T90 VanDerWaalsContact OD1-CB 3.31Å; D88-T90 WeakPolarHBondContact OD1-CB 3.38Å; D88-T90 PolarHBondContact OD1-N 3.33Å; D88-T90 PolarHBondContact OD1-OG1 2.94Å; D88-L91 HydrophobicContact CB-CB 4.35Å; D88-L91 HydrophobicContact CB-CD1 3.92Å; D88-L91 HydrophobicContact CB-CG 4.03Å; D88-L91 PolarHBondContact O-N 3.42Å; D88-L91 VanDerWaalsContact O-N 3.13Å; D88-G144 CarbonylContact C-O 3.51Å; D88-G144 PolarHBondContact N-O 2.88Å; D88-G144 WeakPolarHBondContact O-CA 3.32Å; D88-G144 VanDerWaalsContact O-O 3.1Å; D88-V146 HydrophobicContact CB-CG2 4.05Å
89	P	92.1	Very high	93.3	Very high	71 Å²	71	43.5 Å²	43.5	46%	0.461	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-59.8	-23	179	-24.5	34.9	0	0	0	114.2	L91 R92	P89-L91 VanDerWaalsContact C-N 3.27Å; P89-L91 PolarHBondContact O-N 3.4Å; P89-R92 WeakPolarHBondContact O-CB 3.49Å; P89-R92 PolarHBondContact O-N 3.2Å
90	T	89.5	Confident	93	Very high	37 Å²	37	47.8 Å²	47.8	23%	0.227	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-74.4	-21.1	180	74.4	0	0	0	0	112.5	D88	D88-T90 PolarHBondContact O-N 3.42Å; D88-T90 VanDerWaalsContact O-N 3.15Å; D88-T90 WeakPolarHBondContact OD1-CA 3.32Å; D88-T90 VanDerWaalsContact OD1-CB 3.31Å; D88-T90 WeakPolarHBondContact OD1-CB 3.38Å; D88-T90 PolarHBondContact OD1-N 3.33Å; D88-T90 PolarHBondContact OD1-OG1 2.94Å
91	L	91.4	Very high	92.8	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.016	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-97.2	9.3	178.9	-54.5	179.4	0	0	0	112.9	I38 D88 P89 F93 L113 V140 V146	I38-L91 HydrophobicContact CG2-CB 4.27Å; I38-L91 HydrophobicContact CG2-CD2 3.27Å; I38-L91 HydrophobicContact CG2-CG 4.35Å; D88-L91 HydrophobicContact CB-CB 4.35Å; D88-L91 HydrophobicContact CB-CD1 3.92Å; D88-L91 HydrophobicContact CB-CG 4.03Å; D88-L91 PolarHBondContact O-N 3.42Å; D88-L91 VanDerWaalsContact O-N 3.13Å; P89-L91 VanDerWaalsContact C-N 3.27Å; P89-L91 PolarHBondContact O-N 3.4Å; L91-F93 WeakPolarHBondContact O-CD1 3.12Å; L91-L113 HydrophobicContact CD1-CD1 4.3Å; L91-L113 HydrophobicContact CD1-CD2 4.09Å; L91-L113 HydrophobicContact CD2-CD2 3.67Å; L91-V140 HydrophobicContact CB-CG1 4.05Å; L91-V146 HydrophobicContact CD1-CG2 3.52Å
92	R	91.9	Very high	92.6	Very high	140 Å²	140	55 Å²	55	53%	0.528	29%	0.289	S	S	.	.			trans	-72.2	132.2	178.1	179.9	175.3	179.5	170.8	3.7	110.9	P89 D94	P89-R92 WeakPolarHBondContact O-CB 3.49Å; P89-R92 PolarHBondContact O-N 3.2Å; R92-D94 WeakPolarHBondContact CG-OD1 3.07Å; R92-D94 IonicContact CZ-OD1 3.77Å; R92-D94 IonicContact CZ-OD2 3.22Å; R92-D94 IonicContact NE-OD1 2.85Å; R92-D94 PolarHBondContact NE-OD1 3.47Å; R92-D94 IonicContact NE-OD2 2.95Å; R92-D94 PolarHBondContact NE-OD2 3.14Å; R92-D94 IonicContact NH2-OD1 3.87Å; R92-D94 IonicContact NH2-OD2 2.67Å; R92-D94 PolarHBondContact NH2-OD2 3.08Å
93	F	92	Very high	92.4	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	29%	0.289	C	S	.	.			trans	-137.4	12.1	-174.6	63.3	-96.9	0	0	0	114.8	I34 I38 L91 S95 L96 P98 I103 V140 Y141 S142	I34-F93 HydrophobicContact CD1-CD2 4.37Å; I34-F93 HydrophobicContact CG2-CB 3.73Å; I34-F93 HydrophobicContact CG2-CD1 4.33Å; I34-F93 HydrophobicContact CG2-CD2 3.89Å; I34-F93 HydrophobicContact CG2-CG 3.74Å; I38-F93 HydrophobicContact CD1-CB 3.83Å; I38-F93 HydrophobicContact CD1-CD1 3.65Å; I38-F93 HydrophobicContact CD1-CG 4.02Å; I38-F93 HydrophobicContact CG1-CB 4.4Å; L91-F93 WeakPolarHBondContact O-CD1 3.12Å; F93-S95 PolarHBondContact O-N 2.84Å; F93-L96 HydrophobicContact CB-CD1 4.09Å; F93-L96 WeakPolarHBondContact O-CB 3.41Å; F93-L96 PolarHBondContact O-N 2.61Å; F93-P98 HydrophobicContact CD2-CB 3.77Å; F93-P98 HydrophobicContact CD2-CG 3.91Å; F93-P98 HydrophobicContact CE2-CB 3.74Å; F93-P98 HydrophobicContact CE2-CG 3.97Å; F93-I103 HydrophobicContact CD2-CD1 4.31Å; F93-I103 HydrophobicContact CE1-CD1 4.2Å; F93-I103 HydrophobicContact CE2-CD1 3.73Å; F93-I103 HydrophobicContact CE2-CG1 4.16Å; F93-I103 HydrophobicContact CZ-CD1 3.66Å; F93-I103 HydrophobicContact CZ-CG1 3.81Å; F93-V140 HydrophobicContact CE1-CB 4.44Å; F93-V140 HydrophobicContact CE1-CG1 3.99Å; F93-Y141 WeakPolarHBondContact CE1-O 3.26Å; F93-S142 PolarHBondContact N-O 3Å; F93-S142 VanDerWaalsContact N-O 3.1Å
94	D	91.1	Very high	92.1	Very high	63 Å²	63	58.7 Å²	58.7	34%	0.337	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-57.5	-32.2	175.4	61.1	-21.5	0	0	0	113.6	R92 L96 N97 S142	R92-D94 WeakPolarHBondContact CG-OD1 3.07Å; R92-D94 IonicContact CZ-OD1 3.77Å; R92-D94 IonicContact CZ-OD2 3.22Å; R92-D94 IonicContact NE-OD1 2.85Å; R92-D94 PolarHBondContact NE-OD1 3.47Å; R92-D94 IonicContact NE-OD2 2.95Å; R92-D94 PolarHBondContact NE-OD2 3.14Å; R92-D94 IonicContact NH2-OD1 3.87Å; R92-D94 IonicContact NH2-OD2 2.67Å; R92-D94 PolarHBondContact NH2-OD2 3.08Å; D94-L96 PolarHBondContact O-N 2.77Å; D94-N97 PolarHBondContact O-N 3.4Å; D94-S142 PolarHBondContact N-O 3.11Å
95	S	89.8	Confident	91.7	Very high	102 Å²	102	59.9 Å²	59.9	71%	0.713	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-67	-16.9	175.7	60.5	0	0	0	0	114.3	F93 N97	F93-S95 PolarHBondContact O-N 2.84Å; S95-N97 VanDerWaalsContact C-N 3.29Å; S95-N97 PolarHBondContact O-N 3.29Å
96	L	88.1	Confident	91.3	Very high	58 Å²	58	60 Å²	60	30%	0.304	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-87.7	9.6	-178.2	-61.3	176.2	0	0	0	113.4	A29 I34 I37 F93 D94	A29-L96 WeakPolarHBondContact CB-O 3.49Å; I34-L96 HydrophobicContact CG1-CB 4.4Å; I34-L96 HydrophobicContact CG1-CD1 4.32Å; I34-L96 HydrophobicContact CG2-CD1 4.29Å; I37-L96 HydrophobicContact CB-CD1 4.44Å; I37-L96 HydrophobicContact CD1-CD1 4.21Å; I37-L96 HydrophobicContact CD1-CD2 4.38Å; I37-L96 HydrophobicContact CG2-CD1 4.1Å; F93-L96 HydrophobicContact CB-CD1 4.09Å; F93-L96 WeakPolarHBondContact O-CB 3.41Å; F93-L96 PolarHBondContact O-N 2.61Å; D94-L96 PolarHBondContact O-N 2.77Å
97	N	89.2	Confident	90.6	Very high	100 Å²	100	63.5 Å²	63.5	54%	0.535	34%	0.336	S	S	.	.			trans	51.6	60.2	-176.4	-169.4	29	0	0	0	113.1	N27 C28 A29 D94 S95	N27-N97 PolarHBondContact O-ND2 3.16Å; C28-N97 CarbonylContact C-O 3.59Å; C28-N97 WeakPolarHBondContact CA-O 3.15Å; A29-N97 PolarHBondContact N-O 3.21Å; D94-N97 PolarHBondContact O-N 3.4Å; S95-N97 VanDerWaalsContact C-N 3.29Å; S95-N97 PolarHBondContact O-N 3.29Å
98	P	89	Confident	89.9	Confident	23 Å²	23	65.3 Å²	65.3	15%	0.149	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-70.2	144.8	-173.9	31.2	-37.3	0	0	0	112.8	I34 F93 K100	I34-P98 HydrophobicContact CD1-CB 3.69Å; F93-P98 HydrophobicContact CD2-CB 3.77Å; F93-P98 HydrophobicContact CD2-CG 3.91Å; F93-P98 HydrophobicContact CE2-CB 3.74Å; F93-P98 HydrophobicContact CE2-CG 3.97Å; P98-K100 WeakPolarHBondContact CB-O 3.36Å; P98-K100 PolarHBondContact O-N 3.36Å
99	C	89.3	Confident	89.5	Confident	58 Å²	58	66.3 Å²	66.3	39%	0.392	35%	0.347	S	S	.	.	S	Bend	trans	-67.8	-25.8	173.7	-61.6	0	0	0	0	113.2	C28 A29	C28-C99 VanDerWaalsContact C-SG 3.54Å; C28-C99 HydrophobicContact CB-CB 3.84Å; C28-C99 WeakPolarHBondContact CB-SG 3.28Å; C28-C99 WeakPolarHBondContact SG-CA 3.45Å; C28-C99 WeakPolarHBondContact SG-CB 3.4Å; C28-C99 CovalentContact SG-SG 2.02Å; C28-C99 PolarHBondContact SG-SG 3.14Å; A29-C99 PolarHBondContact O-SG 3.45Å
100	K	90.4	Very high	89.2	Confident	110 Å²	110	64 Å²	64	48%	0.478	33%	0.33	S	S	.	.	S	Bend	trans	-128.6	147.4	-176.9	-61.3	173.8	-171.5	159.6	0	110	D31 P98 N102	D31-K100 WeakPolarHBondContact OD2-CE 3.05Å; D31-K100 IonicContact OD2-NZ 3.36Å; D31-K100 PolarHBondContact OD2-NZ 2.99Å; P98-K100 WeakPolarHBondContact CB-O 3.36Å; P98-K100 PolarHBondContact O-N 3.36Å; K100-N102 VanDerWaalsContact C-N 3.27Å; K100-N102 WeakPolarHBondContact CB-O 3.28Å; K100-N102 PolarHBondContact O-N 2.8Å
101	H	90.6	Very high	89.1	Confident	149 Å²	149	66.8 Å²	66.8	69%	0.69	34%	0.343	S	S	*	.	S	Bend	trans	-77.3	-14	176.4	-63.1	-60.2	0	0	0	113.8	S142	H101-S142 PolarHBondContact O-N 3Å
102	N	93.7	Very high	88.9	Confident	62 Å²	62	72 Å²	72	33%	0.332	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	147.4	177.4	55.6	9.7	0	0	0	110.7	K100 M139 V140 Y141	K100-N102 VanDerWaalsContact C-N 3.27Å; K100-N102 WeakPolarHBondContact CB-O 3.28Å; K100-N102 PolarHBondContact O-N 2.8Å; N102-M139 HydrophobicContact CB-CG 4Å; N102-M139 HydrophobicContact CB-SD 3.92Å; N102-M139 PolarHBondContact ND2-SD 3.36Å; N102-V140 WeakPolarHBondContact CA-O 3.31Å; N102-Y141 HydrophobicContact CB-CD1 4.04Å; N102-Y141 HydrophobicContact CB-CE1 4.26Å; N102-Y141 HydrophobicContact CB-CG 4.45Å
103	I	92.8	Very high	88.8	Confident	7 Å²	7	66 Å²	66	4%	0.036	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.1	-180	-58.8	174.1	0	0	0	107.1	D31 I34 I35 F93 L105 M139 V140	D31-I103 HydrophobicContact CB-CG2 4.49Å; I34-I103 HydrophobicContact CB-CD1 4.21Å; I34-I103 HydrophobicContact CD1-CD1 4.27Å; I34-I103 HydrophobicContact CG2-CD1 3.77Å; I35-I103 HydrophobicContact CD1-CG2 3.88Å; I35-I103 HydrophobicContact CG1-CG2 4.13Å; F93-I103 HydrophobicContact CD2-CD1 4.31Å; F93-I103 HydrophobicContact CE1-CD1 4.2Å; F93-I103 HydrophobicContact CE2-CD1 3.73Å; F93-I103 HydrophobicContact CE2-CG1 4.16Å; F93-I103 HydrophobicContact CZ-CD1 3.66Å; F93-I103 HydrophobicContact CZ-CG1 3.81Å; I103-L105 HydrophobicContact CG2-CD2 3.83Å; I103-M139 WeakPolarHBondContact O-CA 3.41Å; I103-V140 PolarHBondContact N-O 3.14Å; I103-V140 PolarHBondContact O-N 3.42Å
104	T	92.8	Very high	88.9	Confident	78 Å²	78	66.1 Å²	66.1	48%	0.479	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.1	170.3	-56.3	0	0	0	0	108.3	F137 L138	T104-F137 HydrophobicContact CG2-CD2 4.25Å; T104-F137 HydrophobicContact CG2-CE2 3.51Å; T104-F137 HydrophobicContact CG2-CZ 3.77Å; T104-L138 WeakPolarHBondContact CA-O 3.37Å
105	L	89.1	Confident	89	Confident	25 Å²	25	64.3 Å²	64.3	13%	0.131	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	151.3	-177.8	-59.7	177.7	0	0	0	110.3	I35 I103 I109 L113 L138 V140	I35-L105 HydrophobicContact CD1-CD2 3.68Å; I35-L105 HydrophobicContact CG1-CD2 3.6Å; I35-L105 HydrophobicContact CG2-CD2 4.41Å; I103-L105 HydrophobicContact CG2-CD2 3.83Å; L105-I109 HydrophobicContact CB-CB 4.39Å; L105-I109 HydrophobicContact CB-CD1 4.33Å; L105-I109 HydrophobicContact CB-CG2 4.34Å; L105-I109 HydrophobicContact CD1-CG2 3.95Å; L105-I109 HydrophobicContact CD2-CD1 4.15Å; L105-L113 HydrophobicContact CD1-CD1 4.17Å; L105-L138 HydrophobicContact CB-CD2 3.68Å; L105-L138 HydrophobicContact CB-CG 4Å; L105-L138 HydrophobicContact CD1-CD2 3.85Å; L105-L138 HydrophobicContact CD1-CG 4.26Å; L105-L138 HydrophobicContact CG-CD2 4.34Å; L105-L138 PolarHBondContact N-O 3.46Å; L105-V140 HydrophobicContact CD1-CB 4.46Å; L105-V140 HydrophobicContact CD1-CG2 3.5Å; L105-V140 VanDerWaalsContact CD1-CG2 3.5Å; L105-V140 HydrophobicContact CG-CG2 4.33Å
106	T	86.7	Confident	89.2	Confident	79 Å²	79	59.5 Å²	59.5	49%	0.485	30%	0.302	S	S	.	.			trans	-78.7	164.3	175	68.5	0	0	0	0	111.1	E108 I109 F110	T106-E108 VanDerWaalsContact C-N 3.3Å; T106-E108 WeakPolarHBondContact CB-OE2 3.35Å; T106-E108 PolarHBondContact O-N 2.91Å; T106-E108 PolarHBondContact OG1-OE2 3.45Å; T106-I109 WeakPolarHBondContact O-CB 3.5Å; T106-I109 PolarHBondContact O-N 2.9Å; T106-F110 PolarHBondContact O-N 2.76Å
107	R	82.3	Confident	89.5	Confident	80 Å²	80	59.3 Å²	59.3	30%	0.302	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-37.2	-179.3	179.5	-165.6	164.5	-178.8	-4.8	113	I109 F110 D111 R134	R107-I109 PolarHBondContact O-N 3.39Å; R107-I109 VanDerWaalsContact O-N 3.15Å; R107-F110 VanDerWaalsContact O-CB 3.25Å; R107-F110 WeakPolarHBondContact O-CB 3.41Å; R107-F110 PolarHBondContact O-N 3.1Å; R107-D111 PolarHBondContact O-N 2.86Å; R107-R134 VanDerWaalsContact CZ-CD 3.45Å; R107-R134 VanDerWaalsContact NH1-CG 3.35Å
108	E	82.7	Confident	89.8	Confident	124 Å²	124	55.7 Å²	55.7	58%	0.579	28%	0.284	S	S	*	.	H	α-helix	trans	-63.1	-25	-177.2	-57.1	72.3	-153.7	0	0	112	T106	T106-E108 VanDerWaalsContact C-N 3.3Å; T106-E108 WeakPolarHBondContact CB-OE2 3.35Å; T106-E108 PolarHBondContact O-N 2.91Å; T106-E108 PolarHBondContact OG1-OE2 3.45Å
109	I	85.2	Confident	90.2	Very high	23 Å²	23	56.7 Å²	56.7	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-81.1	-35.6	175.4	-60.6	167.8	0	0	0	110.4	I35 I39 L105 T106 R107 D111 K112 L113	I35-I109 HydrophobicContact CG2-CD1 3.76Å; I39-I109 HydrophobicContact CD1-CB 4.21Å; I39-I109 HydrophobicContact CD1-CD1 4.02Å; I39-I109 HydrophobicContact CD1-CG1 3.75Å; I39-I109 HydrophobicContact CD1-CG2 3.51Å; I39-I109 HydrophobicContact CG1-CG2 4.02Å; L105-I109 HydrophobicContact CB-CB 4.39Å; L105-I109 HydrophobicContact CB-CD1 4.33Å; L105-I109 HydrophobicContact CB-CG2 4.34Å; L105-I109 HydrophobicContact CD1-CG2 3.95Å; L105-I109 HydrophobicContact CD2-CD1 4.15Å; T106-I109 WeakPolarHBondContact O-CB 3.5Å; T106-I109 PolarHBondContact O-N 2.9Å; R107-I109 PolarHBondContact O-N 3.39Å; R107-I109 VanDerWaalsContact O-N 3.15Å; I109-D111 VanDerWaalsContact C-N 3.28Å; I109-D111 PolarHBondContact O-N 3.19Å; I109-K112 WeakPolarHBondContact O-CB 3.49Å; I109-K112 PolarHBondContact O-N 3.42Å; I109-L113 HydrophobicContact CG2-CD1 4.46Å; I109-L113 HydrophobicContact CG2-CG 4.49Å; I109-L113 PolarHBondContact O-N 2.89Å
110	F	86.3	Confident	90.6	Very high	22 Å²	22	54.3 Å²	54.3	10%	0.096	27%	0.274	C	S	.	.	H	α-helix	trans	-54.5	-43.3	177.9	177.9	-86.4	0	0	0	112	T106 R107 K112 L113 T115 I136 L138 T148 Y150	T106-F110 PolarHBondContact O-N 2.76Å; R107-F110 VanDerWaalsContact O-CB 3.25Å; R107-F110 WeakPolarHBondContact O-CB 3.41Å; R107-F110 PolarHBondContact O-N 3.1Å; F110-K112 PolarHBondContact O-N 3.24Å; F110-K112 VanDerWaalsContact O-N 3.07Å; F110-L113 PolarHBondContact O-N 3.47Å; F110-L113 VanDerWaalsContact O-N 3.07Å; F110-T115 HydrophobicContact CE1-CG2 4.07Å; F110-T115 HydrophobicContact CE2-CG2 3.87Å; F110-T115 HydrophobicContact CZ-CG2 3.5Å; F110-I136 HydrophobicContact CD2-CG2 4.06Å; F110-I136 HydrophobicContact CE1-CD1 4.46Å; F110-I136 HydrophobicContact CE2-CG2 4.08Å; F110-I136 HydrophobicContact CG-CG2 4.41Å; F110-I136 HydrophobicContact CZ-CG2 4.44Å; F110-L138 HydrophobicContact CB-CD2 3.84Å; F110-L138 HydrophobicContact CD2-CB 4.28Å; F110-L138 HydrophobicContact CD2-CD1 4.28Å; F110-L138 HydrophobicContact CD2-CD2 3.96Å; F110-L138 HydrophobicContact CD2-CG 4.39Å; F110-L138 HydrophobicContact CG-CD2 4.4Å; F110-T148 HydrophobicContact CD2-CG2 4.45Å; F110-T148 HydrophobicContact CE2-CG2 3.89Å; F110-Y150 HydrophobicContact CE1-CE1 4.44Å; F110-Y150 HydrophobicContact CE2-CE1 4.02Å; F110-Y150 WeakPolarHBondContact CE2-OH 3.49Å; F110-Y150 AromaticContact CZ-CE1 3.63Å; F110-Y150 HydrophobicContact CZ-CE1 3.63Å; F110-Y150 AromaticContact CZ-CZ 3.81Å; F110-Y150 WeakPolarHBondContact CZ-OH 3.3Å
111	D	86.3	Confident	90.8	Very high	95 Å²	95	52.9 Å²	52.9	51%	0.508	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.6	179.1	-65.5	-30.3	0	0	0	114	R107 I109	R107-D111 PolarHBondContact O-N 2.86Å; I109-D111 VanDerWaalsContact C-N 3.28Å; I109-D111 PolarHBondContact O-N 3.19Å
112	K	87.6	Confident	91.1	Very high	114 Å²	114	47.8 Å²	47.8	50%	0.496	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-13.5	176.5	-60.4	-177.9	179.9	-178.8	0	113.2	I39 K46 I109 F110	I39-K112 HydrophobicContact CG2-CD 3.9Å; K46-K112 WeakPolarHBondContact CB-O 3.37Å; I109-K112 WeakPolarHBondContact O-CB 3.49Å; I109-K112 PolarHBondContact O-N 3.42Å; F110-K112 PolarHBondContact O-N 3.24Å; F110-K112 VanDerWaalsContact O-N 3.07Å
113	L	90.2	Very high	91.3	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.068	24%	0.244	C	C	.	.	S	Bend	trans	-91.7	155.8	-179.5	-62.2	179.3	0	0	0	111.1	L91 L105 I109 F110 L138	L91-L113 HydrophobicContact CD1-CD1 4.3Å; L91-L113 HydrophobicContact CD1-CD2 4.09Å; L91-L113 HydrophobicContact CD2-CD2 3.67Å; L105-L113 HydrophobicContact CD1-CD1 4.17Å; I109-L113 HydrophobicContact CG2-CD1 4.46Å; I109-L113 HydrophobicContact CG2-CG 4.49Å; I109-L113 PolarHBondContact O-N 2.89Å; F110-L113 PolarHBondContact O-N 3.47Å; F110-L113 VanDerWaalsContact O-N 3.07Å; L113-L138 HydrophobicContact CD1-CD1 4.43Å; L113-L138 HydrophobicContact CD1-CD2 3.68Å
114	W	92.9	Very high	91.4	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.015	26%	0.264	C	S	.	.			trans	-68.9	139.3	167.3	179.8	91.2	0	0	0	110	V49 P50 V55 W86 P116 Y181 V186	V49-W114 HydrophobicContact CB-CZ2 4.48Å; V49-W114 HydrophobicContact CG1-CZ2 4.18Å; V49-W114 HydrophobicContact CG2-CZ2 4.16Å; P50-W114 HydrophobicContact CG-CB 4.3Å; P50-W114 HydrophobicContact CG-CD2 3.87Å; P50-W114 HydrophobicContact CG-CE3 3.66Å; P50-W114 HydrophobicContact CG-CG 4.16Å; P50-W114 HydrophobicContact CG-CZ3 4.26Å; V55-W114 HydrophobicContact CB-CH2 4.18Å; V55-W114 HydrophobicContact CB-CZ3 4.47Å; V55-W114 HydrophobicContact CG1-CH2 4.35Å; V55-W114 HydrophobicContact CG1-CZ3 4.26Å; V55-W114 HydrophobicContact CG2-CH2 4.34Å; V55-W114 HydrophobicContact CG2-CZ3 4.46Å; W86-W114 AromaticContact NE1-CE3 3.93Å; W86-W114 AromaticContact NE1-CZ3 3.87Å; W114-P116 HydrophobicContact CH2-CB 4.11Å; W114-P116 HydrophobicContact CZ3-CB 4.43Å; W114-Y181 AromaticContact CE2-CZ 4Å; W114-Y181 HydrophobicContact CZ2-CD2 4.08Å; W114-Y181 AromaticContact CZ2-CE2 3.8Å; W114-Y181 HydrophobicContact CZ2-CE2 3.8Å; W114-Y181 AromaticContact NE1-CE1 3.99Å; W114-Y181 AromaticContact NE1-CE2 3.83Å; W114-Y181 AromaticContact NE1-CZ 3.37Å; W114-Y181 PolarHBondContact NE1-OH 3.33Å; W114-Y181 VanDerWaalsContact NE1-OH 3.08Å; W114-V186 HydrophobicContact CH2-CG2 3.8Å; W114-V186 HydrophobicContact CZ2-CG2 3.8Å
115	T	93.4	Very high	91.6	Very high	25 Å²	25	53.5 Å²	53.5	15%	0.153	27%	0.271	C	S	.	.			trans	-131.2	150.5	177.4	53.1	0	0	0	0	110.2	F110 N117	F110-T115 HydrophobicContact CE1-CG2 4.07Å; F110-T115 HydrophobicContact CE2-CG2 3.87Å; F110-T115 HydrophobicContact CZ-CG2 3.5Å; T115-N117 PolarHBondContact O-N 2.97Å; T115-N117 PolarHBondContact O-OD1 3.48Å; T115-N117 PolarHBondContact OG1-OD1 3.19Å
116	P	95.1	Very high	92	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.			trans	-68.7	-2.6	-179.6	29.7	-36.6	0	0	0	114.3	V57 E84 W86 W114 S118 S178 V186	V57-P116 HydrophobicContact CG1-CG 4.25Å; V57-P116 HydrophobicContact CG2-CB 3.75Å; V57-P116 HydrophobicContact CG2-CG 4.21Å; E84-P116 WeakPolarHBondContact OE2-CG 3.44Å; W86-P116 HydrophobicContact CE3-CG 4.48Å; W86-P116 HydrophobicContact CZ3-CG 4.31Å; W114-P116 HydrophobicContact CH2-CB 4.11Å; W114-P116 HydrophobicContact CZ3-CB 4.43Å; P116-S118 VanDerWaalsContact C-N 3.29Å; P116-S118 PolarHBondContact O-N 3.05Å; P116-S178 WeakPolarHBondContact O-CB 3.36Å; P116-S178 PolarHBondContact O-OG 2.78Å; P116-V186 HydrophobicContact CB-CG1 4.24Å
117	N	94	Very high	92.4	Very high	55 Å²	55	53.5 Å²	53.5	29%	0.294	28%	0.279	S	S	.	.			trans	51.8	46.4	176.4	-64.7	-25.5	0	0	0	112.7	T115 F179 N180 Y181	T115-N117 PolarHBondContact O-N 2.97Å; T115-N117 PolarHBondContact O-OD1 3.48Å; T115-N117 PolarHBondContact OG1-OD1 3.19Å; N117-F179 VanDerWaalsContact O-CB 3.28Å; N117-F179 WeakPolarHBondContact O-CB 3.43Å; N117-F179 PolarHBondContact O-N 2.93Å; N117-N180 HydrophobicContact CB-CB 4.36Å; N117-N180 PolarHBondContact ND2-ND2 3.44Å; N117-Y181 HydrophobicContact CB-CD2 4.5Å; N117-Y181 HydrophobicContact CB-CE2 4.07Å; N117-Y181 WeakPolarHBondContact ND2-CE2 3.29Å; N117-Y181 PolarHBondContact ND2-OH 3Å
118	S	95.8	Very high	93.1	Very high	23 Å²	23	52.7 Å²	52.7	16%	0.161	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	141.7	-175.3	49.8	0	0	0	0	112.6	E84 P116 Y176 Q177	E84-S118 VanDerWaalsContact OE1-CB 3.24Å; E84-S118 WeakPolarHBondContact OE1-CB 3.41Å; E84-S118 PolarHBondContact OE1-OG 2.96Å; E84-S118 PolarHBondContact OE2-OG 3.17Å; P116-S118 VanDerWaalsContact C-N 3.29Å; P116-S118 PolarHBondContact O-N 3.05Å; S118-Y176 WeakPolarHBondContact CB-OH 3.44Å; S118-Y176 PolarHBondContact OG-OH 2.7Å; S118-Q177 CarbonylContact C-O 3.54Å; S118-Q177 WeakPolarHBondContact CA-O 3.49Å
119	C	96.5	Very high	93.7	Very high	44 Å²	44	48.9 Å²	48.9	30%	0.297	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	167.2	-179	64.7	0	0	0	0	112.6	M121 Y176 Q177	C119-M121 PolarHBondContact O-N 2.97Å; C119-M121 VanDerWaalsContact SG-SD 3.68Å; C119-Y176 VanDerWaalsContact C-CD2 3.45Å; C119-Y176 WeakPolarHBondContact O-CD2 3.38Å; C119-Q177 PolarHBondContact N-O 3.48Å; C119-Q177 PolarHBondContact O-N 2.95Å; C119-Q177 VanDerWaalsContact O-N 3.14Å
120	F	97.6	Very high	94.1	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.035	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	103.6	171.6	-67.7	-67.8	0	0	0	111	F61 M80 I82 N122 S123 V154 L174 I175 Y176	F61-F120 HydrophobicContact CE1-CE1 4.43Å; F61-F120 HydrophobicContact CE1-CZ 4.25Å; F61-F120 AromaticContact CE2-CE1 3.95Å; F61-F120 HydrophobicContact CE2-CE1 3.95Å; F61-F120 HydrophobicContact CE2-CZ 4.34Å; F61-F120 AromaticContact CZ-CE1 3.67Å; F61-F120 HydrophobicContact CZ-CE1 3.67Å; F61-F120 AromaticContact CZ-CZ 3.92Å; F61-F120 HydrophobicContact CZ-CZ 3.92Å; M80-F120 HydrophobicContact CE-CZ 4.21Å; M80-F120 HydrophobicContact SD-CE2 4.34Å; M80-F120 HydrophobicContact SD-CZ 3.7Å; I82-F120 HydrophobicContact CD1-CE2 3.54Å; I82-F120 HydrophobicContact CD1-CZ 3.75Å; I82-F120 HydrophobicContact CG1-CZ 4.36Å; F120-N122 VanDerWaalsContact C-N 3.32Å; F120-N122 PolarHBondContact O-N 3.31Å; F120-S123 PolarHBondContact O-N 2.93Å; F120-S123 PolarHBondContact O-OG 3.18Å; F120-V154 HydrophobicContact CB-CG2 4.48Å; F120-V154 HydrophobicContact CD2-CB 4.17Å; F120-V154 HydrophobicContact CD2-CG2 3.65Å; F120-V154 HydrophobicContact CE2-CB 4.11Å; F120-V154 HydrophobicContact CE2-CG1 4.27Å; F120-V154 HydrophobicContact CE2-CG2 4.03Å; F120-V154 HydrophobicContact CG-CG2 4.12Å; F120-L174 HydrophobicContact CD1-CB 3.89Å; F120-L174 HydrophobicContact CD1-CD1 3.86Å; F120-L174 HydrophobicContact CD1-CD2 4.42Å; F120-L174 HydrophobicContact CD1-CG 4.3Å; F120-L174 HydrophobicContact CE1-CB 4.07Å; F120-L174 HydrophobicContact CE1-CD1 3.73Å; F120-L174 HydrophobicContact CG-CD1 4.37Å; F120-L174 HydrophobicContact CZ-CD1 4.13Å; F120-I175 CarbonylContact C-O 3.52Å; F120-I175 VanDerWaalsContact CA-O 3.23Å; F120-I175 WeakPolarHBondContact CA-O 3.13Å; F120-Y176 AromaticContact CD1-CD2 3.59Å; F120-Y176 HydrophobicContact CD1-CD2 3.59Å; F120-Y176 HydrophobicContact CD1-CE2 4.48Å; F120-Y176 HydrophobicContact CD1-CG 4.34Å; F120-Y176 HydrophobicContact CD2-CD2 4.32Å; F120-Y176 HydrophobicContact CD2-CE2 4.48Å; F120-Y176 AromaticContact CE1-CD2 3.58Å; F120-Y176 HydrophobicContact CE1-CD2 3.58Å; F120-Y176 HydrophobicContact CE1-CE2 4.37Å; F120-Y176 HydrophobicContact CE1-CG 4.19Å; F120-Y176 HydrophobicContact CE2-CD2 4.35Å; F120-Y176 HydrophobicContact CE2-CE2 4.4Å; F120-Y176 AromaticContact CG-CD2 3.96Å; F120-Y176 HydrophobicContact CG-CD2 3.96Å; F120-Y176 AromaticContact CZ-CD2 3.97Å; F120-Y176 HydrophobicContact CZ-CD2 3.97Å; F120-Y176 HydrophobicContact CZ-CE2 4.32Å
121	M	95.9	Very high	94.2	Very high	81 Å²	81	55.7 Å²	55.7	40%	0.399	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-37.9	-173.2	-65.2	-56	-64.2	0	0	113.1	C119 I175 Q177 F179	C119-M121 PolarHBondContact O-N 2.97Å; C119-M121 VanDerWaalsContact SG-SD 3.68Å; M121-I175 HydrophobicContact CB-CB 4.49Å; M121-I175 PolarHBondContact N-O 3.16Å; M121-Q177 HydrophobicContact CG-CB 3.85Å; M121-Q177 HydrophobicContact CG-CG 4.23Å; M121-Q177 HydrophobicContact SD-CB 4.48Å; M121-Q177 HydrophobicContact SD-CG 4.37Å; M121-F179 HydrophobicContact CE-CD2 4.24Å; M121-F179 HydrophobicContact CE-CE2 4.48Å; M121-F179 HydrophobicContact SD-CD2 4.09Å
122	N	96.4	Very high	94.4	Very high	42 Å²	42	56.9 Å²	56.9	23%	0.225	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	3.3	-178.3	72.1	-32.3	0	0	0	113.4	F120 P157 S173 L174 I175	F120-N122 VanDerWaalsContact C-N 3.32Å; F120-N122 PolarHBondContact O-N 3.31Å; N122-P157 HydrophobicContact CB-CG 4.2Å; N122-P157 WeakPolarHBondContact O-CD 3.25Å; N122-P157 VanDerWaalsContact O-CG 3.26Å; N122-P157 WeakPolarHBondContact O-CG 3.48Å; N122-S173 PolarHBondContact ND2-O 3.06Å; N122-L174 WeakPolarHBondContact OD1-CA 3.37Å; N122-I175 HydrophobicContact CB-CD1 4.2Å; N122-I175 HydrophobicContact CB-CG1 4.37Å; N122-I175 PolarHBondContact OD1-N 2.96Å
123	S	96.8	Very high	94.5	Very high	36 Å²	36	57.6 Å²	57.6	25%	0.252	32%	0.323	S	S	.	.			trans	-64.8	141.4	-178.3	63.7	0	0	0	0	112.1	F120	F120-S123 PolarHBondContact O-N 2.93Å; F120-S123 PolarHBondContact O-OG 3.18Å
124	K	95.9	Very high	94.6	Very high	103 Å²	103	62.2 Å²	62.2	45%	0.448	34%	0.34	S	S	.	.	S	Bend	trans	-77.9	-34.1	169.9	-64.6	-172.4	-174.3	175.6	0	111.3	T73 S74 D75 K155	T73-K124 PolarHBondContact O-NZ 3.35Å; S74-K124 PolarHBondContact O-NZ 3.46Å; D75-K124 HydrophobicContact CB-CD 4.02Å; D75-K124 IonicContact OD2-NZ 2.66Å; D75-K124 PolarHBondContact OD2-NZ 3.47Å; K124-K155 HydrophobicContact CB-CG 4.48Å; K124-K155 PolarHBondContact N-O 2.9Å
125	M	96.7	Very high	94.7	Very high	127 Å²	127	63.5 Å²	63.5	63%	0.626	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.1	136.7	177.8	-174.3	69	132	0	0	108.1	K155	M125-K155 HydrophobicContact CB-CB 3.99Å; M125-K155 PolarHBondContact N-O 3.08Å; M125-K155 PolarHBondContact O-N 3.46Å
126	A	97.2	Very high	94.7	Very high	50 Å²	50	63.8 Å²	63.8	41%	0.413	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	130	171.9	0	0	0	0	0	108.8	K153 V154	A126-K153 WeakPolarHBondContact CA-O 3.43Å; A126-V154 HydrophobicContact CB-CG2 4.45Å
127	S	96.5	Very high	94.7	Very high	54 Å²	54	67.3 Å²	67.3	38%	0.378	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133.6	-179.2	58.1	0	0	0	0	110.5	K153	S127-K153 PolarHBondContact N-O 2.72Å; S127-K153 PolarHBondContact O-N 3.04Å
128	I	95.9	Very high	94.7	Very high	63 Å²	63	64.9 Å²	64.9	32%	0.323	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.1	170.2	-59.7	170.1	0	0	0	107.6	I136 Y150 R151 V152	I128-I136 HydrophobicContact CD1-CD1 4.21Å; I128-I136 HydrophobicContact CG2-CG1 4.11Å; I128-Y150 HydrophobicContact CD1-CD1 4.21Å; I128-R151 WeakPolarHBondContact CA-O 3.46Å; I128-V152 HydrophobicContact CG1-CG2 4.18Å
129	H	95.9	Very high	94.6	Very high	44 Å²	44	65 Å²	65	20%	0.204	35%	0.348	C	S	.	.			trans	-60.9	139.7	176.6	-80.5	-96.7	0	0	0	111.5	D79 R134 N135 R151	D79-H129 IonicContact OD1-CD2 2.67Å; D79-H129 IonicContact OD1-CE1 2.61Å; D79-H129 PolarHBondContact OD1-CE1 3.35Å; D79-H129 IonicContact OD1-NE2 2.89Å; D79-H129 PolarHBondContact OD1-NE2 3.26Å; H129-R134 WeakPolarHBondContact O-CA 3.42Å; H129-N135 HydrophobicContact CB-CB 4.2Å; H129-N135 WeakPolarHBondContact CB-ND2 3.48Å; H129-N135 PolarHBondContact O-N 3.32Å; H129-R151 HydrophobicContact CB-CB 4.4Å; H129-R151 HydrophobicContact CB-CG 4.31Å; H129-R151 PolarHBondContact CD2-O 3Å; H129-R151 PolarHBondContact N-O 3.49Å
130	D	92.7	Very high	94.6	Very high	98 Å²	98	63 Å²	63	52%	0.524	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-131.9	95.2	-178.8	-155.1	-9.6	0	0	0	109	F133 R134	D130-F133 WeakPolarHBondContact OD1-CA 3.42Å; D130-R134 HydrophobicContact CB-CG 4.23Å; D130-R134 PolarHBondContact OD1-N 3.03Å; D130-R134 WeakPolarHBondContact OD2-CG 3.44Å; D130-R134 IonicContact OD2-NE 3.23Å
131	S	89.3	Confident	94.5	Very high	91 Å²	91	66.5 Å²	66.5	64%	0.636	35%	0.348	S	S	*	.	S	Bend	trans	-178.7	122.8	170.8	-177.3	0	0	0	0	111.1	F133	S131-F133 PolarHBondContact N-O 3.19Å
132	P	89.6	Confident	94.4	Very high	119 Å²	119	63.9 Å²	63.9	77%	0.773	34%	0.338	S	S	*	.	S	Bend	cis	-74.3	-1.7	-10.3	31.1	-31.6	0	0	0	113.2
133	F	91	Very high	94.3	Very high	129 Å²	129	65.4 Å²	65.4	57%	0.566	35%	0.346	S	S	*	.	S	Bend	trans	-144.5	171.3	175.3	46.4	-100.9	0	0	0	109.6	D130 S131 N135	D130-F133 WeakPolarHBondContact OD1-CA 3.42Å; S131-F133 PolarHBondContact N-O 3.19Å; F133-N135 PolarHBondContact O-N 2.61Å; F133-N135 PolarHBondContact O-OD1 3.09Å
134	R	92.3	Very high	94.1	Very high	111 Å²	111	63.7 Å²	63.7	42%	0.419	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-62.6	122.6	174.9	-74	-165.9	-175	-178.7	-5.8	110.9	R107 H129 D130 I136	R107-R134 VanDerWaalsContact CZ-CD 3.45Å; R107-R134 VanDerWaalsContact NH1-CG 3.35Å; H129-R134 WeakPolarHBondContact O-CA 3.42Å; D130-R134 HydrophobicContact CB-CG 4.23Å; D130-R134 PolarHBondContact OD1-N 3.03Å; D130-R134 WeakPolarHBondContact OD2-CG 3.44Å; D130-R134 IonicContact OD2-NE 3.23Å; R134-I136 VanDerWaalsContact C-N 3.26Å; R134-I136 HydrophobicContact CB-CG1 4.47Å; R134-I136 PolarHBondContact O-N 3.28Å
135	N	94.1	Very high	94.1	Very high	31 Å²	31	59.8 Å²	59.8	17%	0.166	32%	0.319	C	S	.	.			trans	-79	74.1	-173.9	-70	-25.3	0	0	0	111.4	H129 F133 R151	H129-N135 HydrophobicContact CB-CB 4.2Å; H129-N135 WeakPolarHBondContact CB-ND2 3.48Å; H129-N135 PolarHBondContact O-N 3.32Å; F133-N135 PolarHBondContact O-N 2.61Å; F133-N135 PolarHBondContact O-OD1 3.09Å; N135-R151 HydrophobicContact CB-CB 3.73Å; N135-R151 PolarHBondContact O-N 3.06Å
136	I	94.2	Very high	94.1	Very high	30 Å²	30	53.8 Å²	53.8	15%	0.154	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.1	174	-51.6	179.4	0	0	0	107	F110 I128 R134 N149 Y150	F110-I136 HydrophobicContact CD2-CG2 4.06Å; F110-I136 HydrophobicContact CE1-CD1 4.46Å; F110-I136 HydrophobicContact CE2-CG2 4.08Å; F110-I136 HydrophobicContact CG-CG2 4.41Å; F110-I136 HydrophobicContact CZ-CG2 4.44Å; I128-I136 HydrophobicContact CD1-CD1 4.21Å; I128-I136 HydrophobicContact CG2-CG1 4.11Å; R134-I136 VanDerWaalsContact C-N 3.26Å; R134-I136 HydrophobicContact CB-CG1 4.47Å; R134-I136 PolarHBondContact O-N 3.28Å; I136-N149 WeakPolarHBondContact CA-O 3.5Å; I136-Y150 HydrophobicContact CB-CD1 4.41Å; I136-Y150 HydrophobicContact CD1-CD1 4.22Å; I136-Y150 HydrophobicContact CD1-CE1 4.3Å; I136-Y150 HydrophobicContact CG1-CD1 3.95Å; I136-Y150 HydrophobicContact CG1-CE1 4.4Å; I136-Y150 HydrophobicContact CG2-CD1 3.85Å; I136-Y150 HydrophobicContact CG2-CE1 3.74Å
137	F	93.9	Very high	94.1	Very high	75 Å²	75	53.7 Å²	53.7	33%	0.329	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.1	173.6	-177.4	-91.1	0	0	0	108.9	T104 M139 W147 T148 N149	T104-F137 HydrophobicContact CG2-CD2 4.25Å; T104-F137 HydrophobicContact CG2-CE2 3.51Å; T104-F137 HydrophobicContact CG2-CZ 3.77Å; F137-M139 HydrophobicContact CE1-CB 3.9Å; F137-M139 HydrophobicContact CE1-CE 3.9Å; F137-M139 HydrophobicContact CZ-CE 3.77Å; F137-W147 AromaticContact CD1-CE3 3.75Å; F137-W147 HydrophobicContact CD1-CE3 3.75Å; F137-W147 HydrophobicContact CD1-CH2 4.24Å; F137-W147 AromaticContact CD1-CZ3 3.33Å; F137-W147 HydrophobicContact CD1-CZ3 3.33Å; F137-W147 AromaticContact CE1-CE3 3.67Å; F137-W147 HydrophobicContact CE1-CE3 3.67Å; F137-W147 HydrophobicContact CE1-CH2 4.44Å; F137-W147 AromaticContact CE1-CZ3 3.29Å; F137-W147 HydrophobicContact CE1-CZ3 3.29Å; F137-W147 HydrophobicContact CZ-CZ3 4.48Å; F137-T148 CarbonylContact O-C 3.52Å; F137-T148 VanDerWaalsContact O-CA 3.29Å; F137-T148 WeakPolarHBondContact O-CA 3.48Å; F137-N149 HydrophobicContact CB-CB 4.14Å; F137-N149 PolarHBondContact N-O 3.02Å; F137-N149 PolarHBondContact O-N 3.46Å
138	L	94.4	Very high	94	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.9	-178	171	65.9	0	0	0	109.2	T104 L105 F110 L113 V146 T148	T104-L138 WeakPolarHBondContact CA-O 3.37Å; L105-L138 HydrophobicContact CB-CD2 3.68Å; L105-L138 HydrophobicContact CB-CG 4Å; L105-L138 HydrophobicContact CD1-CD2 3.85Å; L105-L138 HydrophobicContact CD1-CG 4.26Å; L105-L138 HydrophobicContact CG-CD2 4.34Å; L105-L138 PolarHBondContact N-O 3.46Å; F110-L138 HydrophobicContact CB-CD2 3.84Å; F110-L138 HydrophobicContact CD2-CB 4.28Å; F110-L138 HydrophobicContact CD2-CD1 4.28Å; F110-L138 HydrophobicContact CD2-CD2 3.96Å; F110-L138 HydrophobicContact CD2-CG 4.39Å; F110-L138 HydrophobicContact CG-CD2 4.4Å; L113-L138 HydrophobicContact CD1-CD1 4.43Å; L113-L138 HydrophobicContact CD1-CD2 3.68Å; L138-V146 HydrophobicContact CD1-CG1 3.52Å; L138-T148 HydrophobicContact CD1-CG2 3.66Å
139	M	94.9	Very high	94	Very high	24 Å²	24	49 Å²	49	12%	0.118	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.5	176.1	-178.5	177.8	-77.4	0	0	110.1	N102 I103 F137 Y141 W147	N102-M139 HydrophobicContact CB-CG 4Å; N102-M139 HydrophobicContact CB-SD 3.92Å; N102-M139 PolarHBondContact ND2-SD 3.36Å; I103-M139 WeakPolarHBondContact O-CA 3.41Å; F137-M139 HydrophobicContact CE1-CB 3.9Å; F137-M139 HydrophobicContact CE1-CE 3.9Å; F137-M139 HydrophobicContact CZ-CE 3.77Å; M139-Y141 HydrophobicContact CG-CE2 4.27Å; M139-Y141 HydrophobicContact SD-CE2 4.11Å; M139-W147 HydrophobicContact CB-CE3 4.15Å; M139-W147 PolarHBondContact N-O 3.44Å; M139-W147 PolarHBondContact O-N 3.02Å
140	V	94.8	Very high	94	Very high	4 Å²	4	48 Å²	48	2%	0.024	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.5	175.3	-173	0	0	0	0	108.6	L91 F93 N102 I103 L105 T145 V146	L91-V140 HydrophobicContact CB-CG1 4.05Å; F93-V140 HydrophobicContact CE1-CB 4.44Å; F93-V140 HydrophobicContact CE1-CG1 3.99Å; N102-V140 WeakPolarHBondContact CA-O 3.31Å; I103-V140 PolarHBondContact N-O 3.14Å; I103-V140 PolarHBondContact O-N 3.42Å; L105-V140 HydrophobicContact CD1-CB 4.46Å; L105-V140 HydrophobicContact CD1-CG2 3.5Å; L105-V140 VanDerWaalsContact CD1-CG2 3.5Å; L105-V140 HydrophobicContact CG-CG2 4.33Å; V140-T145 WeakPolarHBondContact CA-O 3.23Å; V140-V146 HydrophobicContact CG2-CG2 4.42Å
141	Y	96	Very high	94.2	Very high	81 Å²	81	46.6 Å²	46.6	32%	0.318	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	154.2	176.5	-69.4	-97.1	0	0	0	110.5	F93 N102 M139 N143 G144 T145 W147	F93-Y141 WeakPolarHBondContact CE1-O 3.26Å; N102-Y141 HydrophobicContact CB-CD1 4.04Å; N102-Y141 HydrophobicContact CB-CE1 4.26Å; N102-Y141 HydrophobicContact CB-CG 4.45Å; M139-Y141 HydrophobicContact CG-CE2 4.27Å; M139-Y141 HydrophobicContact SD-CE2 4.11Å; Y141-N143 WeakPolarHBondContact CB-OD1 3.44Å; Y141-N143 PolarHBondContact O-N 2.71Å; Y141-G144 PolarHBondContact O-N 3.37Å; Y141-T145 HydrophobicContact CD2-CG2 4.19Å; Y141-T145 WeakPolarHBondContact CD2-O 3.13Å; Y141-T145 PolarHBondContact N-O 3.4Å; Y141-W147 HydrophobicContact CE2-CB 4.02Å
142	S	93.9	Very high	94.6	Very high	25 Å²	25	42.8 Å²	42.8	18%	0.175	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.5	-175.5	61.7	0	0	0	0	114.5	F93 D94 H101 G144	F93-S142 PolarHBondContact N-O 3Å; F93-S142 VanDerWaalsContact N-O 3.1Å; D94-S142 PolarHBondContact N-O 3.11Å; H101-S142 PolarHBondContact O-N 3Å; S142-G144 VanDerWaalsContact C-N 3.3Å
143	N	94.4	Very high	95	Very high	74 Å²	74	40.7 Å²	40.7	40%	0.396	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.5	175.9	70.7	-24.9	0	0	0	114.2	Y141 T145	Y141-N143 WeakPolarHBondContact CB-OD1 3.44Å; Y141-N143 PolarHBondContact O-N 2.71Å; N143-T145 PolarHBondContact ND2-OG1 3.42Å; N143-T145 WeakPolarHBondContact OD1-CB 3.44Å; N143-T145 PolarHBondContact OD1-N 3.18Å; N143-T145 PolarHBondContact OD1-OG1 2.94Å
144	G	93.1	Very high	95.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	93.3	3.5	-174.5	0	0	0	0	0	114.5	D88 Y141 S142 V146	D88-G144 CarbonylContact C-O 3.51Å; D88-G144 PolarHBondContact N-O 2.88Å; D88-G144 WeakPolarHBondContact O-CA 3.32Å; D88-G144 VanDerWaalsContact O-O 3.1Å; Y141-G144 PolarHBondContact O-N 3.37Å; S142-G144 VanDerWaalsContact C-N 3.3Å; G144-V146 PolarHBondContact O-N 2.99Å
145	T	96.1	Very high	95.6	Very high	22 Å²	22	32 Å²	32	14%	0.135	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	128.6	173	-63	0	0	0	0	109.7	M85 W86 V140 Y141 N143	M85-T145 HydrophobicContact CG-CG2 3.6Å; M85-T145 HydrophobicContact SD-CG2 4.04Å; W86-T145 CarbonylContact O-C 3.6Å; W86-T145 WeakPolarHBondContact O-CA 3.15Å; V140-T145 WeakPolarHBondContact CA-O 3.23Å; Y141-T145 HydrophobicContact CD2-CG2 4.19Å; Y141-T145 WeakPolarHBondContact CD2-O 3.13Å; Y141-T145 PolarHBondContact N-O 3.4Å; N143-T145 PolarHBondContact ND2-OG1 3.42Å; N143-T145 WeakPolarHBondContact OD1-CB 3.44Å; N143-T145 PolarHBondContact OD1-N 3.18Å; N143-T145 PolarHBondContact OD1-OG1 2.94Å
146	V	95.7	Very high	95.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.1	174.1	-173.6	0	0	0	0	108.3	M85 W86 D88 L91 L138 V140 G144 T148	M85-V146 VanDerWaalsContact CA-O 3.3Å; M85-V146 WeakPolarHBondContact CA-O 3.46Å; W86-V146 HydrophobicContact CD2-CB 4Å; W86-V146 HydrophobicContact CD2-CG1 4.49Å; W86-V146 HydrophobicContact CE3-CB 4.44Å; W86-V146 HydrophobicContact CH2-CB 4.24Å; W86-V146 HydrophobicContact CH2-CG1 3.68Å; W86-V146 HydrophobicContact CZ2-CB 3.75Å; W86-V146 HydrophobicContact CZ2-CG1 3.49Å; W86-V146 VanDerWaalsContact CZ2-CG1 3.49Å; W86-V146 HydrophobicContact CZ2-CG2 4.25Å; W86-V146 HydrophobicContact CZ3-CG1 4.23Å; W86-V146 PolarHBondContact N-O 2.94Å; W86-V146 PolarHBondContact O-N 3.41Å; D88-V146 HydrophobicContact CB-CG2 4.05Å; L91-V146 HydrophobicContact CD1-CG2 3.52Å; L138-V146 HydrophobicContact CD1-CG1 3.52Å; V140-V146 HydrophobicContact CG2-CG2 4.42Å; G144-V146 PolarHBondContact O-N 2.99Å; V146-T148 HydrophobicContact CG1-CG2 4.09Å
147	W	96.5	Very high	95.8	Very high	48 Å²	48	30.7 Å²	30.7	18%	0.182	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.5	171.4	-177.2	63.8	0	0	0	109.2	N83 E84 M85 F137 M139 Y141 N149	N83-W147 WeakPolarHBondContact OD1-CZ2 3.22Å; E84-W147 WeakPolarHBondContact O-CA 3.46Å; M85-W147 HydrophobicContact CE-CG 4.26Å; F137-W147 AromaticContact CD1-CE3 3.75Å; F137-W147 HydrophobicContact CD1-CE3 3.75Å; F137-W147 HydrophobicContact CD1-CH2 4.24Å; F137-W147 AromaticContact CD1-CZ3 3.33Å; F137-W147 HydrophobicContact CD1-CZ3 3.33Å; F137-W147 AromaticContact CE1-CE3 3.67Å; F137-W147 HydrophobicContact CE1-CE3 3.67Å; F137-W147 HydrophobicContact CE1-CH2 4.44Å; F137-W147 AromaticContact CE1-CZ3 3.29Å; F137-W147 HydrophobicContact CE1-CZ3 3.29Å; F137-W147 HydrophobicContact CZ-CZ3 4.48Å; M139-W147 HydrophobicContact CB-CE3 4.15Å; M139-W147 PolarHBondContact N-O 3.44Å; M139-W147 PolarHBondContact O-N 3.02Å; Y141-W147 HydrophobicContact CE2-CB 4.02Å; W147-N149 HydrophobicContact CH2-CB 4.14Å; W147-N149 HydrophobicContact CZ2-CB 4.16Å
148	T	96	Very high	95.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.1	176.2	60.6	0	0	0	0	110.1	N83 E84 W86 F110 F137 L138 V146 Y150	N83-T148 CarbonylContact C-O 3.52Å; N83-T148 VanDerWaalsContact CA-O 3.27Å; N83-T148 WeakPolarHBondContact CA-O 3.49Å; E84-T148 WeakPolarHBondContact CB-OG1 3.13Å; E84-T148 PolarHBondContact N-O 2.93Å; E84-T148 PolarHBondContact O-N 3.36Å; E84-T148 PolarHBondContact O-OG1 3.3Å; W86-T148 HydrophobicContact CH2-CG2 3.49Å; W86-T148 VanDerWaalsContact CH2-CG2 3.49Å; W86-T148 HydrophobicContact CZ3-CG2 3.73Å; F110-T148 HydrophobicContact CD2-CG2 4.45Å; F110-T148 HydrophobicContact CE2-CG2 3.89Å; F137-T148 CarbonylContact O-C 3.52Å; F137-T148 VanDerWaalsContact O-CA 3.29Å; F137-T148 WeakPolarHBondContact O-CA 3.48Å; L138-T148 HydrophobicContact CD1-CG2 3.66Å; V146-T148 HydrophobicContact CG1-CG2 4.09Å; T148-Y150 VanDerWaalsContact OG1-CE2 3.31Å; T148-Y150 WeakPolarHBondContact OG1-CE2 3.49Å
149	N	95.8	Very high	95.7	Very high	18 Å²	18	34.1 Å²	34.1	10%	0.096	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	117.1	176.1	171.9	-75.9	0	0	0	108.8	Y81 I82 N83 I136 F137 W147	Y81-N149 WeakPolarHBondContact CB-ND2 3.4Å; Y81-N149 VanDerWaalsContact CD1-OD1 3.29Å; Y81-N149 WeakPolarHBondContact CD1-OD1 3.49Å; I82-N149 CarbonylContact O-C 3.55Å; I82-N149 VanDerWaalsContact O-CA 3.27Å; I82-N149 WeakPolarHBondContact O-CA 3.48Å; N83-N149 PolarHBondContact OD1-ND2 3.21Å; I136-N149 WeakPolarHBondContact CA-O 3.5Å; F137-N149 HydrophobicContact CB-CB 4.14Å; F137-N149 PolarHBondContact N-O 3.02Å; F137-N149 PolarHBondContact O-N 3.46Å; W147-N149 HydrophobicContact CH2-CB 4.14Å; W147-N149 HydrophobicContact CZ2-CB 4.16Å
150	Y	96	Very high	95.6	Very high	22 Å²	22	34.3 Å²	34.3	9%	0.086	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126	178.8	-51.2	-89.7	0	0	0	109.6	Y81 I82 E84 F110 I128 I136 T148 V152	Y81-Y150 CarbonylContact C-O 3.59Å; Y81-Y150 VanDerWaalsContact CA-O 3.24Å; Y81-Y150 WeakPolarHBondContact CA-O 3.21Å; I82-Y150 HydrophobicContact CB-CD2 4.3Å; I82-Y150 HydrophobicContact CG2-CD2 4.46Å; I82-Y150 PolarHBondContact N-O 3.29Å; I82-Y150 PolarHBondContact O-N 2.92Å; E84-Y150 HydrophobicContact CG-CE2 4.2Å; E84-Y150 WeakPolarHBondContact OE2-CE2 3.22Å; F110-Y150 HydrophobicContact CE1-CE1 4.44Å; F110-Y150 HydrophobicContact CE2-CE1 4.02Å; F110-Y150 WeakPolarHBondContact CE2-OH 3.49Å; F110-Y150 AromaticContact CZ-CE1 3.63Å; F110-Y150 HydrophobicContact CZ-CE1 3.63Å; F110-Y150 AromaticContact CZ-CZ 3.81Å; F110-Y150 WeakPolarHBondContact CZ-OH 3.3Å; I128-Y150 HydrophobicContact CD1-CD1 4.21Å; I136-Y150 HydrophobicContact CB-CD1 4.41Å; I136-Y150 HydrophobicContact CD1-CD1 4.22Å; I136-Y150 HydrophobicContact CD1-CE1 4.3Å; I136-Y150 HydrophobicContact CG1-CD1 3.95Å; I136-Y150 HydrophobicContact CG1-CE1 4.4Å; I136-Y150 HydrophobicContact CG2-CD1 3.85Å; I136-Y150 HydrophobicContact CG2-CE1 3.74Å; T148-Y150 VanDerWaalsContact OG1-CE2 3.31Å; T148-Y150 WeakPolarHBondContact OG1-CE2 3.49Å; Y150-V152 PolarHBondContact O-N 2.97Å
151	R	96.7	Very high	95.5	Very high	70 Å²	70	38.2 Å²	38.2	26%	0.264	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	107.4	167.5	-166.9	-175.8	178.4	-161.3	-5.1	109.3	Q64 Y81 I128 H129 N135	Q64-R151 VanDerWaalsContact OE1-NH2 3.11Å; Y81-R151 HydrophobicContact CD1-CB 3.8Å; Y81-R151 HydrophobicContact CD1-CG 3.98Å; Y81-R151 HydrophobicContact CE1-CB 3.64Å; Y81-R151 HydrophobicContact CE1-CG 3.56Å; I128-R151 WeakPolarHBondContact CA-O 3.46Å; H129-R151 HydrophobicContact CB-CB 4.4Å; H129-R151 HydrophobicContact CB-CG 4.31Å; H129-R151 PolarHBondContact CD2-O 3Å; H129-R151 PolarHBondContact N-O 3.49Å; N135-R151 HydrophobicContact CB-CB 3.73Å; N135-R151 PolarHBondContact O-N 3.06Å
152	V	97.2	Very high	95.4	Very high	11 Å²	11	34.4 Å²	34.4	7%	0.067	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.8	-172.5	-176.7	0	0	0	0	110.7	D79 M80 I82 I128 Y150 V154	D79-V152 WeakPolarHBondContact CA-O 3.49Å; M80-V152 PolarHBondContact N-O 2.86Å; M80-V152 PolarHBondContact O-N 3.1Å; I82-V152 HydrophobicContact CD1-CB 4.1Å; I82-V152 HydrophobicContact CD1-CG2 3.7Å; I82-V152 HydrophobicContact CG1-CG2 4.28Å; I128-V152 HydrophobicContact CG1-CG2 4.18Å; Y150-V152 PolarHBondContact O-N 2.97Å; V152-V154 HydrophobicContact CG1-CB 4.44Å
153	K	97.6	Very high	95.4	Very high	75 Å²	75	35.2 Å²	35.2	33%	0.326	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.4	163.2	-174.5	171.9	-176.7	177.1	0	108.7	E77 D79 A126 S127	E77-K153 VanDerWaalsContact CD-CE 3.46Å; E77-K153 WeakPolarHBondContact OE1-CE 3.4Å; E77-K153 IonicContact OE1-NZ 3.47Å; E77-K153 PolarHBondContact OE1-NZ 2.89Å; D79-K153 WeakPolarHBondContact OD1-CA 3.27Å; D79-K153 VanDerWaalsContact OD1-CB 3.24Å; D79-K153 WeakPolarHBondContact OD1-CB 3.37Å; D79-K153 WeakPolarHBondContact OD1-CG 3.44Å; A126-K153 WeakPolarHBondContact CA-O 3.43Å; S127-K153 PolarHBondContact N-O 2.72Å; S127-K153 PolarHBondContact O-N 3.04Å
154	V	97.8	Very high	95.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.9	-177.4	61.5	0	0	0	0	110.9	E77 M78 M80 F120 A126 V152 L174	E77-V154 WeakPolarHBondContact CA-O 3.19Å; M78-V154 HydrophobicContact CE-CG1 3.74Å; M78-V154 HydrophobicContact CG-CG1 3.61Å; M78-V154 PolarHBondContact N-O 3.18Å; M78-V154 PolarHBondContact O-N 3.21Å; M78-V154 HydrophobicContact SD-CG1 4.5Å; M80-V154 HydrophobicContact CE-CG1 3.82Å; F120-V154 HydrophobicContact CB-CG2 4.48Å; F120-V154 HydrophobicContact CD2-CB 4.17Å; F120-V154 HydrophobicContact CD2-CG2 3.65Å; F120-V154 HydrophobicContact CE2-CB 4.11Å; F120-V154 HydrophobicContact CE2-CG1 4.27Å; F120-V154 HydrophobicContact CE2-CG2 4.03Å; F120-V154 HydrophobicContact CG-CG2 4.12Å; A126-V154 HydrophobicContact CB-CG2 4.45Å; V152-V154 HydrophobicContact CG1-CB 4.44Å; V154-L174 HydrophobicContact CG1-CD1 3.89Å; V154-L174 HydrophobicContact CG2-CD1 3.91Å; V154-L174 HydrophobicContact CG2-CD2 4.23Å
155	K	97.8	Very high	95.4	Very high	58 Å²	58	33 Å²	33	25%	0.252	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	105.9	171.3	-169.9	170.5	178	173.4	0	108.7	D75 F76 K124 M125	D75-K155 HydrophobicContact CB-CG 4.23Å; D75-K155 WeakPolarHBondContact OD1-CE 3.19Å; D75-K155 IonicContact OD1-NZ 3.91Å; D75-K155 PolarHBondContact OD1-NZ 3.41Å; D75-K155 WeakPolarHBondContact OD2-CE 3.39Å; D75-K155 IonicContact OD2-NZ 2.99Å; D75-K155 PolarHBondContact OD2-NZ 3.04Å; F76-K155 CarbonylContact O-C 3.51Å; F76-K155 WeakPolarHBondContact O-CA 3.44Å; K124-K155 HydrophobicContact CB-CG 4.48Å; K124-K155 PolarHBondContact N-O 2.9Å; M125-K155 HydrophobicContact CB-CB 3.99Å; M125-K155 PolarHBondContact N-O 3.08Å; M125-K155 PolarHBondContact O-N 3.46Å
156	G	97.3	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	152.9	-178.2	0	0	0	0	0	112.5	D75 F76	D75-G156 WeakPolarHBondContact CA-O 3.42Å; D75-G156 WeakPolarHBondContact CB-O 3.49Å; F76-G156 WeakPolarHBondContact CD1-O 3.33Å; F76-G156 PolarHBondContact N-O 3.47Å; F76-G156 PolarHBondContact O-N 3.38Å
157	P	96.9	Very high	95.2	Very high	33 Å²	33	33.6 Å²	33.6	21%	0.214	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	150	169.9	31.7	-34.5	0	0	0	110	N122	N122-P157 HydrophobicContact CB-CG 4.2Å; N122-P157 WeakPolarHBondContact O-CD 3.25Å; N122-P157 VanDerWaalsContact O-CG 3.26Å; N122-P157 WeakPolarHBondContact O-CG 3.48Å
158	C	95.6	Very high	95	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.02	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-132.2	123.8	171.8	-164	0	0	0	0	109.5	S74 F76 M160 N171 C172	S74-C158 PolarHBondContact O-N 3.03Å; S74-C158 VanDerWaalsContact O-N 3.08Å; F76-C158 HydrophobicContact CD1-CB 4.43Å; C158-M160 VanDerWaalsContact C-N 3.33Å; C158-M160 HydrophobicContact CB-CE 3.73Å; C158-M160 HydrophobicContact CB-SD 4.11Å; C158-M160 PolarHBondContact O-N 2.86Å; C158-M160 VanDerWaalsContact SG-SD 3.62Å; C158-N171 PolarHBondContact SG-O 3.24Å; C158-N171 VanDerWaalsContact SG-O 3.4Å; C158-C172 HydrophobicContact CB-CB 3.67Å; C158-C172 WeakPolarHBondContact CB-SG 3.33Å; C158-C172 WeakPolarHBondContact SG-CA 3.43Å; C158-C172 WeakPolarHBondContact SG-CB 3.36Å; C158-C172 CovalentContact SG-SG 2.03Å; C158-C172 PolarHBondContact SG-SG 2.88Å
159	N	90.2	Very high	94.9	Very high	148 Å²	148	34.3 Å²	34.3	79%	0.791	19%	0.185	S	C	*	.			trans	-80.9	85.9	177.5	-73.2	-15.4	0	0	0	108.4	D161	N159-D161 PolarHBondContact O-N 3.39Å
160	M	91.9	Very high	94.9	Very high	28 Å²	28	33.5 Å²	33.5	14%	0.138	18%	0.181	C	C	.	.			trans	-72.4	127	-175.6	-59.6	-64.8	-169.1	0	0	111.6	V69 S70 C158 Q170	V69-M160 HydrophobicContact CG1-CE 3.63Å; S70-M160 WeakPolarHBondContact O-CE 3.48Å; C158-M160 VanDerWaalsContact C-N 3.33Å; C158-M160 HydrophobicContact CB-CE 3.73Å; C158-M160 HydrophobicContact CB-SD 4.11Å; C158-M160 PolarHBondContact O-N 2.86Å; C158-M160 VanDerWaalsContact SG-SD 3.62Å; M160-Q170 HydrophobicContact SD-CB 3.85Å; M160-Q170 HydrophobicContact SD-CG 3.66Å
161	D	93.5	Very high	94.9	Very high	86 Å²	86	36.5 Å²	36.5	46%	0.46	20%	0.198	S	C	.	.			trans	-111.6	105.6	168.4	-178.5	8.4	0	0	0	110.2	N159 S163 Q170	N159-D161 PolarHBondContact O-N 3.39Å; D161-S163 VanDerWaalsContact CG-OG 3.29Å; D161-S163 WeakPolarHBondContact OD1-CB 3.21Å; D161-S163 PolarHBondContact OD1-N 3.31Å; D161-S163 PolarHBondContact OD1-OG 2.9Å; D161-S163 PolarHBondContact OD2-OG 3.12Å; D161-Q170 PolarHBondContact O-NE2 2.97Å
162	L	93.6	Very high	94.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	19%	0.186	C	C	.	.			trans	-96.5	11.9	-177.7	-56.6	176.5	0	0	0	112.4	E71 S164 F165 P293 V295 Y297 K299	E71-L162 HydrophobicContact CG-CD2 4.35Å; L162-S164 VanDerWaalsContact C-N 3.28Å; L162-S164 PolarHBondContact O-N 3.38Å; L162-F165 HydrophobicContact CB-CB 4.18Å; L162-F165 HydrophobicContact CD2-CD2 4.42Å; L162-F165 WeakPolarHBondContact O-CB 3.2Å; L162-F165 PolarHBondContact O-N 2.91Å; L162-P293 HydrophobicContact CD1-CG 3.55Å; L162-V295 HydrophobicContact CD1-CG1 4.21Å; L162-Y297 HydrophobicContact CB-CE2 4.18Å; L162-Y297 WeakPolarHBondContact CB-OH 3.43Å; L162-Y297 PolarHBondContact N-OH 2.92Å; L162-K299 HydrophobicContact CB-CD 4.13Å; L162-K299 HydrophobicContact CB-CG 4.42Å; L162-K299 WeakPolarHBondContact O-CG 3.39Å
163	S	93.8	Very high	94.9	Very high	42 Å²	42	34.5 Å²	34.5	29%	0.294	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-42.8	-178	57.7	0	0	0	0	112.3	D161 K299 A300	D161-S163 VanDerWaalsContact CG-OG 3.29Å; D161-S163 WeakPolarHBondContact OD1-CB 3.21Å; D161-S163 PolarHBondContact OD1-N 3.31Å; D161-S163 PolarHBondContact OD1-OG 2.9Å; D161-S163 PolarHBondContact OD2-OG 3.12Å; S163-K299 CarbonylContact O-C 3.5Å; S163-K299 WeakPolarHBondContact O-CA 3.24Å; S163-A300 PolarHBondContact O-N 3.03Å
164	S	93.8	Very high	94.9	Very high	24 Å²	24	31 Å²	31	17%	0.168	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	11.3	177.5	-61.8	0	0	0	0	114.5	L162 L167	L162-S164 VanDerWaalsContact C-N 3.28Å; L162-S164 PolarHBondContact O-N 3.38Å; S164-L167 WeakPolarHBondContact O-CA 3.24Å; S164-L167 PolarHBondContact O-N 3.38Å
165	F	94.5	Very high	94.9	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	130.2	-176.6	174.3	-85.7	0	0	0	112.5	L162 Y241 L292 A300 I301	L162-F165 HydrophobicContact CB-CB 4.18Å; L162-F165 HydrophobicContact CD2-CD2 4.42Å; L162-F165 WeakPolarHBondContact O-CB 3.2Å; L162-F165 PolarHBondContact O-N 2.91Å; F165-Y241 HydrophobicContact CE1-CD1 4.28Å; F165-Y241 HydrophobicContact CE1-CE1 4.39Å; F165-Y241 HydrophobicContact CE2-CD1 4.45Å; F165-Y241 AromaticContact CE2-CE1 3.93Å; F165-Y241 HydrophobicContact CE2-CE1 3.93Å; F165-Y241 AromaticContact CE2-CZ 3.98Å; F165-Y241 AromaticContact CZ-CD1 3.62Å; F165-Y241 HydrophobicContact CZ-CD1 3.62Å; F165-Y241 AromaticContact CZ-CE1 3.35Å; F165-Y241 HydrophobicContact CZ-CE1 3.35Å; F165-Y241 HydrophobicContact CZ-CG 4.38Å; F165-Y241 AromaticContact CZ-CZ 3.89Å; F165-L292 HydrophobicContact CD1-CD1 3.94Å; F165-L292 HydrophobicContact CD2-CD2 4.14Å; F165-L292 HydrophobicContact CE1-CD1 3.52Å; F165-L292 HydrophobicContact CE1-CD2 4.09Å; F165-L292 HydrophobicContact CE1-CG 4.39Å; F165-L292 HydrophobicContact CE2-CD1 4.47Å; F165-L292 HydrophobicContact CE2-CD2 3.52Å; F165-L292 HydrophobicContact CZ-CD1 3.8Å; F165-L292 HydrophobicContact CZ-CD2 3.49Å; F165-L292 VanDerWaalsContact CZ-CD2 3.49Å; F165-L292 HydrophobicContact CZ-CG 4.18Å; F165-A300 WeakPolarHBondContact O-CB 3.38Å; F165-I301 HydrophobicContact CD1-CB 4.05Å; F165-I301 HydrophobicContact CD1-CG2 3.64Å; F165-I301 HydrophobicContact CE1-CB 4.37Å; F165-I301 HydrophobicContact CE1-CG2 4.05Å; F165-I301 PolarHBondContact O-N 3.22Å
166	P	92.9	Very high	94.9	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.013	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	cis	-98.1	11.7	10.8	38.9	-37.2	0	0	0	115.5	D168 R236 Y238 Y241 Y246	P166-D168 WeakPolarHBondContact CA-OD1 3.45Å; P166-D168 PolarHBondContact O-N 3.04Å; P166-R236 VanDerWaalsContact O-CD 3.32Å; P166-R236 WeakPolarHBondContact O-CD 3.24Å; P166-Y238 WeakPolarHBondContact O-CB 3.45Å; P166-Y241 HydrophobicContact CB-CD1 4.41Å; P166-Y241 HydrophobicContact CB-CD2 3.85Å; P166-Y241 HydrophobicContact CB-CE2 4.45Å; P166-Y241 HydrophobicContact CB-CG 3.8Å; P166-Y241 HydrophobicContact CG-CG 4.28Å; P166-Y246 HydrophobicContact CG-CE2 4.15Å
167	L	93.1	Very high	94.8	Very high	35 Å²	35	30.3 Å²	30.3	18%	0.183	18%	0.179	C	C	.	.	S	Bend	trans	-88.8	19.8	179.1	-59.9	173	0	0	0	112.2	S164 Y238 W414 M418	S164-L167 WeakPolarHBondContact O-CA 3.24Å; S164-L167 PolarHBondContact O-N 3.38Å; L167-Y238 HydrophobicContact CD2-CD1 3.84Å; L167-Y238 HydrophobicContact CD2-CD2 4.02Å; L167-Y238 HydrophobicContact CD2-CE1 4.25Å; L167-Y238 HydrophobicContact CD2-CE2 4.42Å; L167-Y238 HydrophobicContact CD2-CG 3.7Å; L167-W414 HydrophobicContact CD1-CZ3 4.28Å; L167-M418 HydrophobicContact CD1-CG 4.18Å
168	D	93.7	Very high	94.8	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.027	17%	0.169	C	C	.	.			trans	-79	153.7	-173.4	54.5	-49.8	0	0	0	113.8	P166 Q170 R236	P166-D168 WeakPolarHBondContact CA-OD1 3.45Å; P166-D168 PolarHBondContact O-N 3.04Å; D168-Q170 PolarHBondContact OD2-NE2 3.16Å; D168-R236 PolarHBondContact O-N 3.22Å; D168-R236 WeakPolarHBondContact OD1-CD 3.43Å; D168-R236 IonicContact OD1-CZ 2.91Å; D168-R236 IonicContact OD1-NE 3.22Å; D168-R236 PolarHBondContact OD1-NE 3.04Å; D168-R236 IonicContact OD1-NH2 2.77Å; D168-R236 IonicContact OD2-CZ 3.05Å; D168-R236 IonicContact OD2-NE 3.4Å; D168-R236 PolarHBondContact OD2-NE 3.35Å; D168-R236 IonicContact OD2-NH2 3.22Å; D168-R236 PolarHBondContact OD2-NH2 2.83Å
169	A	94	Very high	94.7	Very high	57 Å²	57	34.7 Å²	34.7	47%	0.471	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.3	166.5	0	0	0	0	0	109.4	F234	A169-F234 CarbonylContact C-O 3.53Å; A169-F234 VanDerWaalsContact CA-O 3.3Å; A169-F234 WeakPolarHBondContact CA-O 3.4Å
170	Q	95	Very high	94.8	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.9	-174.3	-57.1	-56	-20.6	0	0	110.8	M160 D161 D168 F206 T233 F234	M160-Q170 HydrophobicContact SD-CB 3.85Å; M160-Q170 HydrophobicContact SD-CG 3.66Å; D161-Q170 PolarHBondContact O-NE2 2.97Å; D168-Q170 PolarHBondContact OD2-NE2 3.16Å; Q170-F206 HydrophobicContact CG-CE1 4.09Å; Q170-T233 CarbonylContact O-C 3.56Å; Q170-T233 WeakPolarHBondContact O-CA 3.27Å; Q170-F234 PolarHBondContact N-O 3.16Å; Q170-F234 PolarHBondContact O-N 3.29Å
171	N	95.5	Very high	95	Very high	85 Å²	85	32.2 Å²	32.2	46%	0.455	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.9	178	-70.9	-33.7	0	0	0	109.8	C158 T231 F232 T233	C158-N171 PolarHBondContact SG-O 3.24Å; C158-N171 VanDerWaalsContact SG-O 3.4Å; N171-T231 HydrophobicContact CB-CG2 4.17Å; N171-F232 WeakPolarHBondContact CA-O 3.33Å; N171-T233 WeakPolarHBondContact OD1-CB 3.34Å; N171-T233 WeakPolarHBondContact OD1-CG2 3.44Å; N171-T233 PolarHBondContact OD1-OG1 3.34Å
172	C	96.8	Very high	95	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126	177.4	-43.5	0	0	0	0	110.2	F76 C158 T231 F232 F234	F76-C172 HydrophobicContact CD1-CB 3.41Å; F76-C172 VanDerWaalsContact CD1-CB 3.41Å; F76-C172 HydrophobicContact CD2-CB 4.37Å; F76-C172 HydrophobicContact CE1-CB 3.41Å; F76-C172 VanDerWaalsContact CE1-CB 3.41Å; F76-C172 HydrophobicContact CE2-CB 4.33Å; F76-C172 HydrophobicContact CG-CB 3.91Å; F76-C172 HydrophobicContact CZ-CB 3.87Å; C158-C172 HydrophobicContact CB-CB 3.67Å; C158-C172 WeakPolarHBondContact CB-SG 3.33Å; C158-C172 WeakPolarHBondContact SG-CA 3.43Å; C158-C172 WeakPolarHBondContact SG-CB 3.36Å; C158-C172 CovalentContact SG-SG 2.03Å; C158-C172 PolarHBondContact SG-SG 2.88Å; C172-T231 WeakPolarHBondContact O-CA 3.32Å; C172-F232 PolarHBondContact N-O 3.1Å; C172-F232 PolarHBondContact O-N 3.18Å; C172-F234 HydrophobicContact CB-CE2 4.08Å
173	S	96.8	Very high	95.1	Very high	39 Å²	39	35.2 Å²	35.2	27%	0.273	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.8	-173.4	-55.9	0	0	0	0	112	N122 V230 T231	N122-S173 PolarHBondContact ND2-O 3.06Å; S173-V230 CarbonylContact C-O 3.55Å; S173-V230 VanDerWaalsContact CA-O 3.23Å; S173-V230 WeakPolarHBondContact CA-O 3.41Å; S173-T231 WeakPolarHBondContact OG-CG2 3.39Å; S173-T231 PolarHBondContact OG-OG1 3.32Å
174	L	97.6	Very high	95.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.7	166.9	-73.5	-178	0	0	0	110.8	F76 M78 M80 F120 N122 V154 Y229 V230	F76-L174 HydrophobicContact CE1-CD2 4.48Å; F76-L174 HydrophobicContact CE1-CG 4.39Å; F76-L174 HydrophobicContact CZ-CD1 4.3Å; F76-L174 HydrophobicContact CZ-CD2 4.43Å; F76-L174 HydrophobicContact CZ-CG 3.89Å; M78-L174 HydrophobicContact CE-CD1 3.08Å; M78-L174 HydrophobicContact CE-CG 4.04Å; M80-L174 HydrophobicContact CE-CD1 4.28Å; F120-L174 HydrophobicContact CD1-CB 3.89Å; F120-L174 HydrophobicContact CD1-CD1 3.86Å; F120-L174 HydrophobicContact CD1-CD2 4.42Å; F120-L174 HydrophobicContact CD1-CG 4.3Å; F120-L174 HydrophobicContact CE1-CB 4.07Å; F120-L174 HydrophobicContact CE1-CD1 3.73Å; F120-L174 HydrophobicContact CG-CD1 4.37Å; F120-L174 HydrophobicContact CZ-CD1 4.13Å; N122-L174 WeakPolarHBondContact OD1-CA 3.37Å; V154-L174 HydrophobicContact CG1-CD1 3.89Å; V154-L174 HydrophobicContact CG2-CD1 3.91Å; V154-L174 HydrophobicContact CG2-CD2 4.23Å; L174-Y229 WeakPolarHBondContact O-CA 3.32Å; L174-V230 HydrophobicContact CB-CG1 3.81Å; L174-V230 PolarHBondContact N-O 3.45Å; L174-V230 PolarHBondContact O-N 3.09Å
175	I	97.7	Very high	95.1	Very high	28 Å²	28	41.3 Å²	41.3	14%	0.144	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.6	-179.7	-50.7	176.9	0	0	0	107.7	F120 M121 N122 E227 Y229	F120-I175 CarbonylContact C-O 3.52Å; F120-I175 VanDerWaalsContact CA-O 3.23Å; F120-I175 WeakPolarHBondContact CA-O 3.13Å; M121-I175 HydrophobicContact CB-CB 4.49Å; M121-I175 PolarHBondContact N-O 3.16Å; N122-I175 HydrophobicContact CB-CD1 4.2Å; N122-I175 HydrophobicContact CB-CG1 4.37Å; N122-I175 PolarHBondContact OD1-N 2.96Å; I175-E227 HydrophobicContact CG2-CB 4.03Å; I175-E227 HydrophobicContact CG2-CG 3.95Å; I175-Y229 HydrophobicContact CD1-CD1 4.38Å; I175-Y229 HydrophobicContact CD1-CE1 3.56Å; I175-Y229 HydrophobicContact CG1-CD1 3.86Å; I175-Y229 HydrophobicContact CG1-CE1 3.52Å; I175-Y229 HydrophobicContact CG2-CE1 4.41Å; I175-Y229 HydrophobicContact CG2-CE2 4.26Å
176	Y	97.9	Very high	95.2	Very high	6 Å²	6	41.3 Å²	41.3	2%	0.024	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.4	-179.6	-162.7	-110.2	0	0	0	111.1	V59 F61 I82 E84 S118 C119 F120 M188 L228	V59-Y176 HydrophobicContact CG1-CD1 4.03Å; V59-Y176 HydrophobicContact CG1-CE1 4Å; V59-Y176 HydrophobicContact CG2-CD1 4.3Å; V59-Y176 HydrophobicContact CG2-CE1 4.15Å; F61-Y176 HydrophobicContact CE1-CD1 4.23Å; F61-Y176 HydrophobicContact CE1-CE1 4.42Å; F61-Y176 HydrophobicContact CE1-CG 4.27Å; F61-Y176 AromaticContact CZ-CD1 3.99Å; F61-Y176 HydrophobicContact CZ-CD1 3.99Å; F61-Y176 HydrophobicContact CZ-CD2 4.13Å; F61-Y176 AromaticContact CZ-CG 3.7Å; F61-Y176 HydrophobicContact CZ-CG 3.7Å; I82-Y176 HydrophobicContact CD1-CE2 4Å; I82-Y176 HydrophobicContact CG2-CE1 4.18Å; E84-Y176 WeakPolarHBondContact OE1-CE1 3.4Å; E84-Y176 PolarHBondContact OE1-OH 2.94Å; E84-Y176 VanDerWaalsContact OE1-OH 3.12Å; S118-Y176 WeakPolarHBondContact CB-OH 3.44Å; S118-Y176 PolarHBondContact OG-OH 2.7Å; C119-Y176 VanDerWaalsContact C-CD2 3.45Å; C119-Y176 WeakPolarHBondContact O-CD2 3.38Å; F120-Y176 AromaticContact CD1-CD2 3.59Å; F120-Y176 HydrophobicContact CD1-CD2 3.59Å; F120-Y176 HydrophobicContact CD1-CE2 4.48Å; F120-Y176 HydrophobicContact CD1-CG 4.34Å; F120-Y176 HydrophobicContact CD2-CD2 4.32Å; F120-Y176 HydrophobicContact CD2-CE2 4.48Å; F120-Y176 AromaticContact CE1-CD2 3.58Å; F120-Y176 HydrophobicContact CE1-CD2 3.58Å; F120-Y176 HydrophobicContact CE1-CE2 4.37Å; F120-Y176 HydrophobicContact CE1-CG 4.19Å; F120-Y176 HydrophobicContact CE2-CD2 4.35Å; F120-Y176 HydrophobicContact CE2-CE2 4.4Å; F120-Y176 AromaticContact CG-CD2 3.96Å; F120-Y176 HydrophobicContact CG-CD2 3.96Å; F120-Y176 AromaticContact CZ-CD2 3.97Å; F120-Y176 HydrophobicContact CZ-CD2 3.97Å; F120-Y176 HydrophobicContact CZ-CE2 4.32Å; Y176-M188 HydrophobicContact CD1-CE 3.8Å; Y176-M188 HydrophobicContact CE1-CE 3.81Å; Y176-L228 PolarHBondContact N-O 3.26Å; Y176-L228 PolarHBondContact O-N 3.34Å
177	Q	96.5	Very high	95.4	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.047	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	154.3	-170.5	153.4	-177.6	-2	0	0	110.4	S118 C119 M121 W225 E227	S118-Q177 CarbonylContact C-O 3.54Å; S118-Q177 WeakPolarHBondContact CA-O 3.49Å; C119-Q177 PolarHBondContact N-O 3.48Å; C119-Q177 PolarHBondContact O-N 2.95Å; C119-Q177 VanDerWaalsContact O-N 3.14Å; M121-Q177 HydrophobicContact CG-CB 3.85Å; M121-Q177 HydrophobicContact CG-CG 4.23Å; M121-Q177 HydrophobicContact SD-CB 4.48Å; M121-Q177 HydrophobicContact SD-CG 4.37Å; Q177-W225 HydrophobicContact CG-CB 4.3Å; Q177-W225 HydrophobicContact CG-CG 4.44Å; Q177-W225 VanDerWaalsContact NE2-CB 3.32Å; Q177-E227 HydrophobicContact CB-CG 4.24Å; Q177-E227 PolarHBondContact OE1-OE1 3.46Å
178	S	96	Very high	95.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	121.9	162.9	158.7	0	0	0	0	111.3	P116 Y181 W225	P116-S178 WeakPolarHBondContact O-CB 3.36Å; P116-S178 PolarHBondContact O-OG 2.78Å; S178-Y181 WeakPolarHBondContact OG-CA 3.27Å; S178-Y181 VanDerWaalsContact OG-CB 3.31Å; S178-Y181 WeakPolarHBondContact OG-CB 3.48Å; S178-Y181 PolarHBondContact OG-N 3.26Å; S178-Y181 VanDerWaalsContact OG-N 3.09Å; S178-Y181 PolarHBondContact OG-O 2.92Å; S178-W225 VanDerWaalsContact O-CD1 3.31Å
179	F	94.6	Very high	95.8	Very high	125 Å²	125	44.9 Å²	44.9	55%	0.548	23%	0.225	S	C	.	.	S	Bend	trans	-73.3	-42.6	-177.2	-172.1	-105.9	0	0	0	112.8	N117 M121	N117-F179 VanDerWaalsContact O-CB 3.28Å; N117-F179 WeakPolarHBondContact O-CB 3.43Å; N117-F179 PolarHBondContact O-N 2.93Å; M121-F179 HydrophobicContact CE-CD2 4.24Å; M121-F179 HydrophobicContact CE-CE2 4.48Å; M121-F179 HydrophobicContact SD-CD2 4.09Å
180	N	92.3	Very high	96	Very high	96 Å²	96	43.1 Å²	43.1	51%	0.513	21%	0.207	S	C	.	.	S	Bend	trans	-98	-24.8	-170.5	-72.8	-28.5	0	0	0	114.1	N117	N117-N180 HydrophobicContact CB-CB 4.36Å; N117-N180 PolarHBondContact ND2-ND2 3.44Å
181	Y	94.4	Very high	96	Very high	29 Å²	29	43.6 Å²	43.6	11%	0.114	21%	0.212	C	C	.	.			trans	-112.5	135.3	-171.2	-51.7	-71	0	0	0	111.3	V49 W114 N117 S178 E185 V186 W225	V49-Y181 HydrophobicContact CG2-CD1 3.93Å; V49-Y181 HydrophobicContact CG2-CE1 3.94Å; W114-Y181 AromaticContact CE2-CZ 4Å; W114-Y181 HydrophobicContact CZ2-CD2 4.08Å; W114-Y181 AromaticContact CZ2-CE2 3.8Å; W114-Y181 HydrophobicContact CZ2-CE2 3.8Å; W114-Y181 AromaticContact NE1-CE1 3.99Å; W114-Y181 AromaticContact NE1-CE2 3.83Å; W114-Y181 AromaticContact NE1-CZ 3.37Å; W114-Y181 PolarHBondContact NE1-OH 3.33Å; W114-Y181 VanDerWaalsContact NE1-OH 3.08Å; N117-Y181 HydrophobicContact CB-CD2 4.5Å; N117-Y181 HydrophobicContact CB-CE2 4.07Å; N117-Y181 WeakPolarHBondContact ND2-CE2 3.29Å; N117-Y181 PolarHBondContact ND2-OH 3Å; S178-Y181 WeakPolarHBondContact OG-CA 3.27Å; S178-Y181 VanDerWaalsContact OG-CB 3.31Å; S178-Y181 WeakPolarHBondContact OG-CB 3.48Å; S178-Y181 PolarHBondContact OG-N 3.26Å; S178-Y181 VanDerWaalsContact OG-N 3.09Å; S178-Y181 PolarHBondContact OG-O 2.92Å; Y181-E185 WeakPolarHBondContact CA-OE2 3.27Å; Y181-E185 HydrophobicContact CD1-CB 4.45Å; Y181-V186 VanDerWaalsContact CB-CG2 3.44Å; Y181-V186 HydrophobicContact CD2-CG2 3.76Å; Y181-V186 HydrophobicContact CG-CG2 3.73Å; Y181-W225 PolarHBondContact O-NE1 3.4Å
182	N	95.1	Very high	95.8	Very high	48 Å²	48	49.5 Å²	49.5	26%	0.257	23%	0.234	S	C	.	.			trans	-77.2	177.6	177	71.3	24	0	0	0	111.4	D184 E185 V186	N182-D184 VanDerWaalsContact C-N 3.26Å; N182-D184 PolarHBondContact O-N 2.81Å; N182-D184 PolarHBondContact OD1-N 2.94Å; N182-E185 PolarHBondContact N-OE2 3.34Å; N182-E185 PolarHBondContact O-N 3.35Å; N182-E185 PolarHBondContact OD1-N 3.02Å; N182-E185 VanDerWaalsContact OD1-N 3.07Å; N182-V186 PolarHBondContact O-N 2.94Å
183	R	95	Very high	95.5	Very high	101 Å²	101	52 Å²	52	38%	0.381	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.1	-179.5	176.3	176.9	-175.7	-149.7	-3.7	114.2	E185 K187 V224 D226	R183-E185 VanDerWaalsContact C-N 3.33Å; R183-K187 WeakPolarHBondContact O-CE 3.28Å; R183-K187 WeakPolarHBondContact O-CG 3.34Å; R183-V224 HydrophobicContact CB-CG1 4.45Å; R183-V224 VanDerWaalsContact CB-O 3.24Å; R183-V224 WeakPolarHBondContact CB-O 3.35Å; R183-V224 PolarHBondContact N-O 3.4Å; R183-D226 WeakPolarHBondContact CD-OD1 3.5Å; R183-D226 WeakPolarHBondContact CG-OD1 3.1Å; R183-D226 IonicContact NE-OD1 3.18Å; R183-D226 PolarHBondContact NE-OD1 2.73Å; R183-D226 IonicContact NE-OD2 3.89Å
184	D	93.5	Very high	95.3	Very high	121 Å²	121	54.5 Å²	54.5	65%	0.647	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-29.7	-179.5	-66.3	-30.1	0	0	0	111	G54 N182	G54-D184 WeakPolarHBondContact CA-O 3.43Å; N182-D184 VanDerWaalsContact C-N 3.26Å; N182-D184 PolarHBondContact O-N 2.81Å; N182-D184 PolarHBondContact OD1-N 2.94Å
185	E	95	Very high	95.2	Very high	73 Å²	73	56 Å²	56	34%	0.341	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-44.3	176.5	-68.1	176.1	127	0	0	113	V49 G54 V55 Y181 N182 R183	V49-E185 HydrophobicContact CG2-CB 4.18Å; V49-E185 HydrophobicContact CG2-CG 4.42Å; G54-E185 CarbonylContact C-O 3.57Å; G54-E185 WeakPolarHBondContact CA-O 3.47Å; V55-E185 PolarHBondContact N-O 2.7Å; Y181-E185 WeakPolarHBondContact CA-OE2 3.27Å; Y181-E185 HydrophobicContact CD1-CB 4.45Å; N182-E185 PolarHBondContact N-OE2 3.34Å; N182-E185 PolarHBondContact O-N 3.35Å; N182-E185 PolarHBondContact OD1-N 3.02Å; N182-E185 VanDerWaalsContact OD1-N 3.07Å; R183-E185 VanDerWaalsContact C-N 3.33Å
186	V	96.8	Very high	94.9	Very high	2 Å²	2	58 Å²	58	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	116.3	-177.2	177	0	0	0	0	110.8	V55 V57 W114 P116 Y181 N182 M188	V55-V186 CarbonylContact O-C 3.46Å; V55-V186 WeakPolarHBondContact O-CA 3.32Å; V57-V186 HydrophobicContact CG2-CG1 3.81Å; W114-V186 HydrophobicContact CH2-CG2 3.8Å; W114-V186 HydrophobicContact CZ2-CG2 3.8Å; P116-V186 HydrophobicContact CB-CG1 4.24Å; Y181-V186 VanDerWaalsContact CB-CG2 3.44Å; Y181-V186 HydrophobicContact CD2-CG2 3.76Å; Y181-V186 HydrophobicContact CG-CG2 3.73Å; N182-V186 PolarHBondContact O-N 2.94Å; V186-M188 HydrophobicContact CG1-CG 4.43Å; V186-M188 HydrophobicContact CG1-SD 3.78Å
187	K	96.9	Very high	94.5	Very high	67 Å²	67	61.8 Å²	61.8	29%	0.291	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	106.9	177.2	-65.1	172.8	-171	163.4	0	109.6	V55 T56 V57 R183	V55-K187 PolarHBondContact O-N 3.3Å; T56-K187 WeakPolarHBondContact CA-O 3.43Å; T56-K187 HydrophobicContact CG2-CB 4.39Å; V57-K187 PolarHBondContact N-O 3.13Å; R183-K187 WeakPolarHBondContact O-CE 3.28Å; R183-K187 WeakPolarHBondContact O-CG 3.34Å
188	M	97.5	Very high	93.8	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.6	176.9	-59	-61	-77	0	0	110.1	V57 V59 Y176 V186 D226 L228	V57-M188 HydrophobicContact CB-SD 3.93Å; V57-M188 HydrophobicContact CG1-SD 4.28Å; V57-M188 HydrophobicContact CG2-SD 4.39Å; V59-M188 HydrophobicContact CG2-CE 3.62Å; Y176-M188 HydrophobicContact CD1-CE 3.8Å; Y176-M188 HydrophobicContact CE1-CE 3.81Å; V186-M188 HydrophobicContact CG1-CG 4.43Å; V186-M188 HydrophobicContact CG1-SD 3.78Å; M188-D226 HydrophobicContact CB-CB 4.07Å; M188-L228 HydrophobicContact CB-CD1 4.12Å; M188-L228 HydrophobicContact CB-CD2 4.43Å; M188-L228 HydrophobicContact CB-CG 4Å
189	R	97.7	Very high	93.2	Very high	49 Å²	49	69.7 Å²	69.7	19%	0.185	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.6	179.6	-63.6	-67.2	174	-99	-8.1	109.9	T56 V57 F58 V59 Q215 D226	T56-R189 HydrophobicContact CG2-CB 4.39Å; T56-R189 HydrophobicContact CG2-CG 3.79Å; V57-R189 PolarHBondContact O-N 3.43Å; F58-R189 CarbonylContact C-O 3.54Å; F58-R189 VanDerWaalsContact CA-O 3.3Å; F58-R189 WeakPolarHBondContact CA-O 3.26Å; F58-R189 HydrophobicContact CD1-CB 3.97Å; F58-R189 HydrophobicContact CE1-CB 4.1Å; V59-R189 PolarHBondContact N-O 3.24Å; R189-Q215 VanDerWaalsContact CD-OE1 3.31Å; R189-Q215 VanDerWaalsContact CZ-NE2 3.3Å; R189-D226 IonicContact CZ-OD2 3.33Å; R189-D226 IonicContact NH1-OD1 2.85Å; R189-D226 IonicContact NH1-OD2 3.85Å; R189-D226 PolarHBondContact NH1-OD2 3.01Å; R189-D226 IonicContact NH2-OD2 2.83Å; R189-D226 PolarHBondContact NH2-OD2 3.33Å
190	W	97.9	Very high	92.6	Very high	20 Å²	20	70.9 Å²	70.9	8%	0.076	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	139.4	167.2	-71.3	111.9	0	0	0	110.5	F61 K194 T213 A214 L228 Y229 V230	F61-W190 AromaticContact CD2-CH2 3.65Å; F61-W190 HydrophobicContact CD2-CH2 3.65Å; F61-W190 AromaticContact CD2-CZ3 3.83Å; F61-W190 HydrophobicContact CD2-CZ3 3.83Å; F61-W190 AromaticContact CE2-CH2 3.47Å; F61-W190 HydrophobicContact CE2-CH2 3.47Å; F61-W190 VanDerWaalsContact CE2-CH2 3.47Å; F61-W190 AromaticContact CE2-CZ3 3.93Å; F61-W190 HydrophobicContact CE2-CZ3 3.93Å; F61-W190 HydrophobicContact CG-CH2 4.49Å; F61-W190 HydrophobicContact CG-CZ3 4.23Å; F61-W190 HydrophobicContact CZ-CH2 4.17Å; F61-W190 HydrophobicContact CZ-CZ3 4.39Å; W190-K194 HydrophobicContact CB-CB 4.25Å; W190-K194 HydrophobicContact CB-CD 4.08Å; W190-K194 HydrophobicContact CB-CG 3.84Å; W190-K194 HydrophobicContact CD2-CB 4.05Å; W190-K194 HydrophobicContact CD2-CG 4.5Å; W190-K194 HydrophobicContact CE3-CB 3.92Å; W190-K194 HydrophobicContact CG-CB 4.22Å; W190-K194 HydrophobicContact CG-CD 4.03Å; W190-K194 HydrophobicContact CG-CG 4.14Å; W190-K194 WeakPolarHBondContact CZ3-O 3.06Å; W190-T213 HydrophobicContact CZ2-CG2 4.33Å; W190-A214 PolarHBondContact NE1-O 2.93Å; W190-L228 HydrophobicContact CD2-CB 4.47Å; W190-L228 HydrophobicContact CD2-CD1 4.29Å; W190-L228 HydrophobicContact CD2-CD2 4.28Å; W190-L228 HydrophobicContact CE3-CD1 4.42Å; W190-L228 HydrophobicContact CG-CD2 4.13Å; W190-L228 HydrophobicContact CH2-CB 4.17Å; W190-L228 HydrophobicContact CZ2-CB 3.6Å; W190-Y229 WeakPolarHBondContact CZ2-O 3.49Å; W190-V230 HydrophobicContact CH2-CB 4.26Å; W190-V230 HydrophobicContact CZ2-CB 4.43Å
191	G	94.6	Very high	92.1	Very high	12 Å²	12	66.8 Å²	66.8	12%	0.124	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-172.8	167.5	0	0	0	0	0	112.5	V59	V59-G191 PolarHBondContact O-N 2.68Å
192	K	91.6	Very high	91.4	Very high	209 Å²	209	69.7 Å²	69.7	91%	0.909	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	-44.6	179.2	-69.9	-179.8	-179.7	176.7	0	110.3	E60	E60-K192 PolarHBondContact OE1-N 3.35Å
193	S	89.6	Confident	91.1	Very high	54 Å²	54	67.8 Å²	67.8	38%	0.378	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	80.4	178.4	-69.2	0	0	0	0	108.6	E60 V195	E60-S193 WeakPolarHBondContact CB-O 3.2Å; E60-S193 VanDerWaalsContact CG-O 3.29Å; E60-S193 WeakPolarHBondContact CG-O 3.34Å; E60-S193 PolarHBondContact OE1-N 3.29Å; S193-V195 PolarHBondContact O-N 3.49Å
194	K	94	Very high	90.7	Very high	91 Å²	91	67.9 Å²	67.9	40%	0.396	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	-53.2	-172.3	-45.3	-173.2	176.3	175.7	0	113.2	F61 W190 T213	F61-K194 PolarHBondContact N-O 3.47Å; W190-K194 HydrophobicContact CB-CB 4.25Å; W190-K194 HydrophobicContact CB-CD 4.08Å; W190-K194 HydrophobicContact CB-CG 3.84Å; W190-K194 HydrophobicContact CD2-CB 4.05Å; W190-K194 HydrophobicContact CD2-CG 4.5Å; W190-K194 HydrophobicContact CE3-CB 3.92Å; W190-K194 HydrophobicContact CG-CB 4.22Å; W190-K194 HydrophobicContact CG-CD 4.03Å; W190-K194 HydrophobicContact CG-CG 4.14Å; W190-K194 WeakPolarHBondContact CZ3-O 3.06Å; K194-T213 HydrophobicContact CB-CG2 3.99Å; K194-T213 HydrophobicContact CD-CG2 4.14Å; K194-T213 WeakPolarHBondContact CD-OG1 3.37Å; K194-T213 PolarHBondContact NZ-OG1 3.33Å
195	V	94.1	Very high	90.5	Very high	31 Å²	31	66 Å²	66	19%	0.188	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.2	176.6	-174	0	0	0	0	109.4	F61 V63 S193 V211 T213 V230	F61-V195 HydrophobicContact CB-CG1 4.49Å; F61-V195 HydrophobicContact CB-CG2 4.42Å; F61-V195 CarbonylContact O-C 3.55Å; F61-V195 VanDerWaalsContact O-CA 3.28Å; F61-V195 WeakPolarHBondContact O-CA 3.18Å; V63-V195 HydrophobicContact CG2-CG1 3.89Å; S193-V195 PolarHBondContact O-N 3.49Å; V195-V211 HydrophobicContact CB-CG1 4.22Å; V195-V211 HydrophobicContact CG1-CG1 4.09Å; V195-V211 HydrophobicContact CG2-CG1 4.25Å; V195-T213 HydrophobicContact CG2-CG2 3.66Å; V195-V230 HydrophobicContact CG2-CG2 3.82Å
196	L	92.6	Very high	90.5	Very high	70 Å²	70	62.6 Å²	62.6	37%	0.366	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.2	175.6	-68.1	175.2	0	0	0	109.7	F61 W62 V63	F61-L196 PolarHBondContact O-N 3.38Å; W62-L196 CarbonylContact C-O 3.47Å; W62-L196 WeakPolarHBondContact CA-O 3.39Å; W62-L196 HydrophobicContact CG-CB 4.31Å; V63-L196 PolarHBondContact N-O 3.01Å
197	Q	88.4	Confident	90.3	Very high	86 Å²	86	65.3 Å²	65.3	40%	0.402	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.9	176.4	-59.2	-177.1	35.6	0	0	108.8	K199 F201	Q197-K199 VanDerWaalsContact C-N 3.34Å; Q197-F201 HydrophobicContact CB-CE2 3.91Å; Q197-F201 HydrophobicContact CB-CZ 4.08Å; Q197-F201 HydrophobicContact CG-CE2 3.9Å; Q197-F201 HydrophobicContact CG-CZ 4.47Å
198	S	82.7	Confident	90.2	Very high	75 Å²	75	63 Å²	63	52%	0.524	33%	0.33	S	S	.	.	S	Bend	trans	-72.9	-28.5	-175.6	-54.8	0	0	0	0	113	V63	V63-S198 WeakPolarHBondContact O-CB 3.18Å; V63-S198 PolarHBondContact O-N 3.06Å; V63-S198 PolarHBondContact O-OG 3.02Å
199	K	83.8	Confident	89.9	Confident	104 Å²	104	67.2 Å²	67.2	45%	0.452	36%	0.356	S	S	.	.	S	Bend	trans	-156.1	164.2	-178.3	59.2	-179.7	176.9	179.5	0	109.2	Q64 E65 Q197 F201	Q64-K199 WeakPolarHBondContact O-CE 3.48Å; E65-K199 IonicContact OE2-NZ 2.74Å; E65-K199 PolarHBondContact OE2-NZ 3.42Å; Q197-K199 VanDerWaalsContact C-N 3.34Å; K199-F201 HydrophobicContact CG-CD1 3.99Å; K199-F201 HydrophobicContact CG-CE1 3.8Å; K199-F201 WeakPolarHBondContact O-CE1 3.32Å; K199-F201 WeakPolarHBondContact O-CZ 3.47Å; K199-F201 PolarHBondContact O-N 3.18Å
200	Q	81.5	Confident	89.7	Confident	150 Å²	150	66 Å²	66	70%	0.701	36%	0.359	S	S	*	.			trans	-67.3	121.1	166.1	-172.6	64	29.2	0	0	108.8
201	F	82	Confident	89.5	Confident	10 Å²	10	67 Å²	67	4%	0.044	37%	0.367	C	S	.	.			trans	-82.8	134.1	176.7	-47.5	-60	0	0	0	109.8	V63 Q64 I66 Q197 K199 L208	V63-F201 HydrophobicContact CB-CE2 4.13Å; V63-F201 HydrophobicContact CB-CZ 3.83Å; V63-F201 HydrophobicContact CG1-CE1 4.3Å; V63-F201 HydrophobicContact CG1-CE2 3.73Å; V63-F201 HydrophobicContact CG1-CZ 3.51Å; V63-F201 WeakPolarHBondContact O-CZ 3.48Å; Q64-F201 VanDerWaalsContact O-CE1 3.32Å; Q64-F201 WeakPolarHBondContact O-CE1 3.44Å; I66-F201 HydrophobicContact CD1-CD2 3.98Å; I66-F201 HydrophobicContact CD1-CE2 4.44Å; I66-F201 HydrophobicContact CD1-CG 4.46Å; I66-F201 HydrophobicContact CG1-CD2 4.26Å; I66-F201 HydrophobicContact CG1-CG 4.41Å; Q197-F201 HydrophobicContact CB-CE2 3.91Å; Q197-F201 HydrophobicContact CB-CZ 4.08Å; Q197-F201 HydrophobicContact CG-CE2 3.9Å; Q197-F201 HydrophobicContact CG-CZ 4.47Å; K199-F201 HydrophobicContact CG-CD1 3.99Å; K199-F201 HydrophobicContact CG-CE1 3.8Å; K199-F201 WeakPolarHBondContact O-CE1 3.32Å; K199-F201 WeakPolarHBondContact O-CZ 3.47Å; K199-F201 PolarHBondContact O-N 3.18Å; F201-L208 HydrophobicContact CD2-CD2 3.8Å; F201-L208 HydrophobicContact CE2-CD2 4.2Å
202	S	78.8	Confident	89.6	Confident	89 Å²	89	70.4 Å²	70.4	62%	0.622	39%	0.386	S	S	*	.			trans	-120.8	102.4	168.9	-179.5	0	0	0	0	107.7	R237	S202-R237 PolarHBondContact OG-NH2 3.37Å
203	L	88.4	Confident	89.9	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.047	35%	0.354	C	S	.	.			trans	-80.4	155.6	166.7	-64.6	140.9	0	0	0	108.6	I66 V69 F206 F234	I66-L203 HydrophobicContact CB-CD1 4.35Å; I66-L203 HydrophobicContact CB-CD2 4.41Å; I66-L203 HydrophobicContact CG2-CD1 4.03Å; I66-L203 HydrophobicContact CG2-CD2 4.09Å; I66-L203 VanDerWaalsContact O-CD2 3.28Å; I66-L203 WeakPolarHBondContact O-CD2 3.35Å; V69-L203 HydrophobicContact CG2-CD1 4.13Å; L203-F206 HydrophobicContact CB-CB 4.31Å; L203-F206 WeakPolarHBondContact CB-O 3.5Å; L203-F206 HydrophobicContact CD1-CB 4.15Å; L203-F234 HydrophobicContact CD1-CD1 3.99Å; L203-F234 HydrophobicContact CD1-CE1 3.85Å
204	P	87.2	Confident	90.3	Very high	102 Å²	102	61.5 Å²	61.5	66%	0.662	35%	0.35	S	S	*	.	S	Bend	trans	-61.6	-44.8	176.8	-25	35	0	0	0	112.9	R237	P204-R237 WeakPolarHBondContact O-CD 3.3Å
205	D	90.3	Very high	90.4	Very high	82 Å²	82	61.5 Å²	61.5	44%	0.439	35%	0.352	S	S	.	.	S	Bend	trans	-106.4	-10.4	-169.2	-58.2	-43.5	0	0	0	113.9	R237	D205-R237 PolarHBondContact O-N 3.49Å
206	F	94.2	Very high	90.5	Very high	2 Å²	2	65 Å²	65	1%	0.009	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.9	-173.3	-69.7	-85.5	0	0	0	113	V69 E71 Q170 L203 F234 Q235 R236	V69-F206 HydrophobicContact CB-CD2 3.87Å; V69-F206 HydrophobicContact CB-CE2 3.99Å; V69-F206 HydrophobicContact CG1-CD2 4.14Å; V69-F206 HydrophobicContact CG1-CE2 3.89Å; V69-F206 HydrophobicContact CG1-CZ 4.16Å; E71-F206 HydrophobicContact CG-CZ 4.37Å; E71-F206 WeakPolarHBondContact OE1-CE2 2.69Å; E71-F206 WeakPolarHBondContact OE1-CZ 3.21Å; Q170-F206 HydrophobicContact CG-CE1 4.09Å; L203-F206 HydrophobicContact CB-CB 4.31Å; L203-F206 WeakPolarHBondContact CB-O 3.5Å; L203-F206 HydrophobicContact CD1-CB 4.15Å; F206-F234 HydrophobicContact CB-CB 4.28Å; F206-F234 HydrophobicContact CD1-CB 3.87Å; F206-F234 HydrophobicContact CG-CB 4.32Å; F206-Q235 CarbonylContact C-O 3.53Å; F206-Q235 VanDerWaalsContact CA-O 3.32Å; F206-Q235 WeakPolarHBondContact CA-O 3.16Å; F206-R236 HydrophobicContact CD1-CB 4.21Å; F206-R236 HydrophobicContact CE1-CB 4Å; F206-R236 HydrophobicContact CE1-CG 4.46Å
207	D	93.1	Very high	90.6	Very high	59 Å²	59	65.2 Å²	65.2	32%	0.316	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.1	168.6	-68.9	-51.8	0	0	0	109.5	V209 F234 Q235 R237	D207-V209 PolarHBondContact O-N 3.39Å; D207-F234 CarbonylContact O-C 3.52Å; D207-F234 WeakPolarHBondContact O-CA 3.38Å; D207-Q235 PolarHBondContact N-O 3.45Å; D207-Q235 PolarHBondContact O-N 3.24Å; D207-R237 VanDerWaalsContact CG-NE 3.29Å; D207-R237 IonicContact OD1-CZ 2.68Å; D207-R237 IonicContact OD1-NE 3.16Å; D207-R237 PolarHBondContact OD1-NE 2.97Å; D207-R237 IonicContact OD1-NH2 3.97Å; D207-R237 PolarHBondContact OD1-NH2 2.74Å; D207-R237 VanDerWaalsContact OD2-CG 3.27Å; D207-R237 WeakPolarHBondContact OD2-CG 3.33Å; D207-R237 IonicContact OD2-CZ 2.77Å; D207-R237 IonicContact OD2-NE 2.86Å; D207-R237 PolarHBondContact OD2-NE 3.19Å
208	L	93.6	Very high	90.9	Very high	18 Å²	18	65 Å²	65	9%	0.094	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	110.2	172.3	179.4	69	0	0	0	108.9	I66 F201 V211 F232 F234	I66-L208 HydrophobicContact CD1-CD1 4.45Å; I66-L208 HydrophobicContact CD1-CD2 4.05Å; F201-L208 HydrophobicContact CD2-CD2 3.8Å; F201-L208 HydrophobicContact CE2-CD2 4.2Å; L208-V211 HydrophobicContact CD1-CG2 4.22Å; L208-V211 HydrophobicContact CD2-CG2 3.99Å; L208-V211 HydrophobicContact CG-CG2 4.41Å; L208-F232 HydrophobicContact CD1-CB 4.06Å; L208-F232 HydrophobicContact CD1-CD1 4.08Å; L208-F234 HydrophobicContact CB-CD1 4.45Å; L208-F234 HydrophobicContact CB-CE1 4.44Å; L208-F234 HydrophobicContact CD1-CD1 4.13Å; L208-F234 HydrophobicContact CD1-CE1 3.86Å; L208-F234 HydrophobicContact CD1-CZ 4.3Å
209	V	92.3	Very high	91.6	Very high	89 Å²	89	67.6 Å²	67.6	54%	0.539	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-35.5	-176.7	178.3	0	0	0	0	111.9	D207 T233 Q235	D207-V209 PolarHBondContact O-N 3.39Å; V209-T233 PolarHBondContact N-O 3.03Å; V209-Q235 HydrophobicContact CG2-CB 3.33Å; V209-Q235 HydrophobicContact CG2-CG 4.39Å
210	G	92.3	Very high	91.9	Very high	24 Å²	24	64.5 Å²	64.5	25%	0.247	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	153.2	-174.1	0	0	0	0	0	113.3	T233	G210-T233 PolarHBondContact N-O 3.11Å; G210-T233 PolarHBondContact O-N 3.48Å
211	V	95.3	Very high	92.5	Very high	40 Å²	40	64.3 Å²	64.3	24%	0.242	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	120.9	170.7	-175.5	0	0	0	0	107.6	V195 L208 V230 T231 F232	V195-V211 HydrophobicContact CB-CG1 4.22Å; V195-V211 HydrophobicContact CG1-CG1 4.09Å; V195-V211 HydrophobicContact CG2-CG1 4.25Å; L208-V211 HydrophobicContact CD1-CG2 4.22Å; L208-V211 HydrophobicContact CD2-CG2 3.99Å; L208-V211 HydrophobicContact CG-CG2 4.41Å; V211-V230 HydrophobicContact CG1-CG2 3.86Å; V211-T231 WeakPolarHBondContact CA-O 3.36Å; V211-F232 HydrophobicContact CG1-CD1 4.22Å; V211-F232 HydrophobicContact CG1-CE1 4.02Å; V211-F232 HydrophobicContact CG2-CD1 3.78Å; V211-F232 HydrophobicContact CG2-CE1 4.02Å
212	T	96.2	Very high	92.9	Very high	85 Å²	85	67.9 Å²	67.9	52%	0.521	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	151.3	177	62.6	0	0	0	0	110	V230 T231	T212-V230 WeakPolarHBondContact O-CA 3.45Å; T212-T231 PolarHBondContact N-O 3.43Å; T212-T231 PolarHBondContact O-N 3Å; T212-T231 WeakPolarHBondContact OG1-CB 3.37Å
213	T	97.4	Very high	93.6	Very high	39 Å²	39	64.6 Å²	64.6	24%	0.239	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.3	-178.3	60.9	0	0	0	0	109.7	W190 K194 V195 Y229	W190-T213 HydrophobicContact CZ2-CG2 4.33Å; K194-T213 HydrophobicContact CB-CG2 3.99Å; K194-T213 HydrophobicContact CD-CG2 4.14Å; K194-T213 WeakPolarHBondContact CD-OG1 3.37Å; K194-T213 PolarHBondContact NZ-OG1 3.33Å; V195-T213 HydrophobicContact CG2-CG2 3.66Å; T213-Y229 CarbonylContact C-O 3.54Å; T213-Y229 WeakPolarHBondContact CA-O 3.42Å
214	A	97.1	Very high	94	Very high	37 Å²	37	66.7 Å²	66.7	31%	0.306	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	162.1	171.8	0	0	0	0	0	110.5	W190 Y229	W190-A214 PolarHBondContact NE1-O 2.93Å; A214-Y229 PolarHBondContact N-O 3.01Å; A214-Y229 PolarHBondContact O-N 3.14Å
215	Q	96.4	Very high	94.5	Very high	90 Å²	90	63.5 Å²	63.5	42%	0.421	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	120.4	173.3	178.5	-170	-49.3	0	0	106.6	R189 E227 L228	R189-Q215 VanDerWaalsContact CD-OE1 3.31Å; R189-Q215 VanDerWaalsContact CZ-NE2 3.3Å; Q215-E227 WeakPolarHBondContact CA-O 3.41Å; Q215-L228 HydrophobicContact CB-CD2 4.27Å; Q215-L228 HydrophobicContact CG-CD2 3.95Å
216	E	96.2	Very high	94.8	Very high	105 Å²	105	59.8 Å²	59.8	49%	0.491	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	167	-174.9	-61.2	-171.4	-170.9	0	0	110.3	E227 Y229	E216-E227 PolarHBondContact N-O 3.39Å; E216-E227 PolarHBondContact O-N 2.95Å; E216-Y229 HydrophobicContact CB-CD2 4.24Å; E216-Y229 HydrophobicContact CB-CE2 3.93Å; E216-Y229 HydrophobicContact CG-CD2 4.27Å; E216-Y229 HydrophobicContact CG-CE2 4.3Å
217	T	95.8	Very high	94.9	Very high	74 Å²	74	60.2 Å²	60.2	45%	0.454	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123	176.2	54.7	0	0	0	0	109.6	W225	T217-W225 CarbonylContact C-O 3.52Å; T217-W225 VanDerWaalsContact CA-O 3.3Å; T217-W225 WeakPolarHBondContact CA-O 3.29Å
218	H	95.1	Very high	95.2	Very high	81 Å²	81	57.4 Å²	57.4	38%	0.375	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.9	175.1	177.7	-98.4	0	0	0	110.6	V224 W225 E227	H218-V224 WeakPolarHBondContact O-CA 3.35Å; H218-W225 PolarHBondContact N-O 2.94Å; H218-W225 PolarHBondContact O-N 3.25Å; H218-E227 HydrophobicContact CB-CG 3.83Å; H218-E227 WeakPolarHBondContact CB-OE1 3.49Å; H218-E227 IonicContact CD2-OE1 3.67Å; H218-E227 IonicContact CG-OE1 3.39Å
219	I	95.7	Very high	95.4	Very high	130 Å²	130	59 Å²	59	67%	0.667	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.9	-179.8	-56.4	174.1	0	0	0	107.8	V224	I219-V224 HydrophobicContact CG1-CG1 4.5Å; I219-V224 HydrophobicContact CG1-CG2 4.39Å
220	S	91	Very high	95.6	Very high	40 Å²	40	54.8 Å²	54.8	28%	0.28	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	157.1	174.3	157.1	0	0	0	0	109.2	A222 G223	S220-A222 PolarHBondContact O-N 3.46Å; S220-A222 PolarHBondContact OG-N 2.89Å; S220-G223 PolarHBondContact N-O 2.74Å; S220-G223 CarbonylContact O-C 3.6Å; S220-G223 PolarHBondContact O-N 3.03Å
221	P	93.2	Very high	95.8	Very high	146 Å²	146	54.9 Å²	54.9	95%	0.948	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-25.6	176.1	-27.5	35.7	0	0	0	114.2
222	A	91.5	Very high	95.9	Very high	85 Å²	85	53 Å²	53	70%	0.702	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.4	178.5	0	0	0	0	0	114.1	S220 W225	S220-A222 PolarHBondContact O-N 3.46Å; S220-A222 PolarHBondContact OG-N 2.89Å; A222-W225 HydrophobicContact CB-CH2 3.76Å; A222-W225 HydrophobicContact CB-CZ3 4.37Å
223	G	93.6	Very high	95.8	Very high	20 Å²	20	50.6 Å²	50.6	21%	0.206	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.6	-169.1	-176.5	0	0	0	0	0	114.4	S220 W225	S220-G223 PolarHBondContact N-O 2.74Å; S220-G223 CarbonylContact O-C 3.6Å; S220-G223 PolarHBondContact O-N 3.03Å; G223-W225 VanDerWaalsContact C-CE3 3.5Å; G223-W225 VanDerWaalsContact CA-CZ3 3.45Å; G223-W225 WeakPolarHBondContact O-CZ3 3.28Å
224	V	96.6	Very high	95.7	Very high	53 Å²	53	48.7 Å²	48.7	32%	0.321	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.9	176.4	-177.4	0	0	0	0	108.6	R183 H218 I219	R183-V224 HydrophobicContact CB-CG1 4.45Å; R183-V224 VanDerWaalsContact CB-O 3.24Å; R183-V224 WeakPolarHBondContact CB-O 3.35Å; R183-V224 PolarHBondContact N-O 3.4Å; H218-V224 WeakPolarHBondContact O-CA 3.35Å; I219-V224 HydrophobicContact CG1-CG1 4.5Å; I219-V224 HydrophobicContact CG1-CG2 4.39Å
225	W	96.8	Very high	95.5	Very high	35 Å²	35	51.3 Å²	51.3	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149.6	178.3	-73.3	-96.9	0	0	0	111	Q177 S178 Y181 T217 H218 A222 G223	Q177-W225 HydrophobicContact CG-CB 4.3Å; Q177-W225 HydrophobicContact CG-CG 4.44Å; Q177-W225 VanDerWaalsContact NE2-CB 3.32Å; S178-W225 VanDerWaalsContact O-CD1 3.31Å; Y181-W225 PolarHBondContact O-NE1 3.4Å; T217-W225 CarbonylContact C-O 3.52Å; T217-W225 VanDerWaalsContact CA-O 3.3Å; T217-W225 WeakPolarHBondContact CA-O 3.29Å; H218-W225 PolarHBondContact N-O 2.94Å; H218-W225 PolarHBondContact O-N 3.25Å; A222-W225 HydrophobicContact CB-CH2 3.76Å; A222-W225 HydrophobicContact CB-CZ3 4.37Å; G223-W225 VanDerWaalsContact C-CE3 3.5Å; G223-W225 VanDerWaalsContact CA-CZ3 3.45Å; G223-W225 WeakPolarHBondContact O-CZ3 3.28Å
226	D	97.3	Very high	95.4	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.8	168.7	-73	-24.3	0	0	0	108.7	R183 M188 R189	R183-D226 WeakPolarHBondContact CD-OD1 3.5Å; R183-D226 WeakPolarHBondContact CG-OD1 3.1Å; R183-D226 IonicContact NE-OD1 3.18Å; R183-D226 PolarHBondContact NE-OD1 2.73Å; R183-D226 IonicContact NE-OD2 3.89Å; M188-D226 HydrophobicContact CB-CB 4.07Å; R189-D226 IonicContact CZ-OD2 3.33Å; R189-D226 IonicContact NH1-OD1 2.85Å; R189-D226 IonicContact NH1-OD2 3.85Å; R189-D226 PolarHBondContact NH1-OD2 3.01Å; R189-D226 IonicContact NH2-OD2 2.83Å; R189-D226 PolarHBondContact NH2-OD2 3.33Å
227	E	97.5	Very high	95.3	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.056	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137	-179.2	-73	-175.2	156.5	0	0	111.3	I175 Q177 Q215 E216 H218 Y229	I175-E227 HydrophobicContact CG2-CB 4.03Å; I175-E227 HydrophobicContact CG2-CG 3.95Å; Q177-E227 HydrophobicContact CB-CG 4.24Å; Q177-E227 PolarHBondContact OE1-OE1 3.46Å; Q215-E227 WeakPolarHBondContact CA-O 3.41Å; E216-E227 PolarHBondContact N-O 3.39Å; E216-E227 PolarHBondContact O-N 2.95Å; H218-E227 HydrophobicContact CB-CG 3.83Å; H218-E227 WeakPolarHBondContact CB-OE1 3.49Å; H218-E227 IonicContact CD2-OE1 3.67Å; H218-E227 IonicContact CG-OE1 3.39Å; E227-Y229 HydrophobicContact CB-CD2 4.16Å; E227-Y229 HydrophobicContact CB-CE2 3.6Å; E227-Y229 HydrophobicContact CG-CE2 4.49Å; E227-Y229 WeakPolarHBondContact OE2-CE2 3.36Å; E227-Y229 VanDerWaalsContact OE2-CZ 3.25Å; E227-Y229 PolarHBondContact OE2-OH 3.15Å
228	L	98.1	Very high	95.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.5	175.3	-59.6	-176.5	0	0	0	109.5	V59 Y176 M188 W190 Q215	V59-L228 HydrophobicContact CB-CD1 3.66Å; V59-L228 HydrophobicContact CG1-CD1 4.33Å; V59-L228 HydrophobicContact CG2-CD1 3.77Å; Y176-L228 PolarHBondContact N-O 3.26Å; Y176-L228 PolarHBondContact O-N 3.34Å; M188-L228 HydrophobicContact CB-CD1 4.12Å; M188-L228 HydrophobicContact CB-CD2 4.43Å; M188-L228 HydrophobicContact CB-CG 4Å; W190-L228 HydrophobicContact CD2-CB 4.47Å; W190-L228 HydrophobicContact CD2-CD1 4.29Å; W190-L228 HydrophobicContact CD2-CD2 4.28Å; W190-L228 HydrophobicContact CE3-CD1 4.42Å; W190-L228 HydrophobicContact CG-CD2 4.13Å; W190-L228 HydrophobicContact CH2-CB 4.17Å; W190-L228 HydrophobicContact CZ2-CB 3.6Å; Q215-L228 HydrophobicContact CB-CD2 4.27Å; Q215-L228 HydrophobicContact CG-CD2 3.95Å
229	Y	97.8	Very high	95.1	Very high	52 Å²	52	49 Å²	49	20%	0.204	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.3	-180	-75	-102.2	0	0	0	110.3	L174 I175 W190 T213 A214 E216 E227	L174-Y229 WeakPolarHBondContact O-CA 3.32Å; I175-Y229 HydrophobicContact CD1-CD1 4.38Å; I175-Y229 HydrophobicContact CD1-CE1 3.56Å; I175-Y229 HydrophobicContact CG1-CD1 3.86Å; I175-Y229 HydrophobicContact CG1-CE1 3.52Å; I175-Y229 HydrophobicContact CG2-CE1 4.41Å; I175-Y229 HydrophobicContact CG2-CE2 4.26Å; W190-Y229 WeakPolarHBondContact CZ2-O 3.49Å; T213-Y229 CarbonylContact C-O 3.54Å; T213-Y229 WeakPolarHBondContact CA-O 3.42Å; A214-Y229 PolarHBondContact N-O 3.01Å; A214-Y229 PolarHBondContact O-N 3.14Å; E216-Y229 HydrophobicContact CB-CD2 4.24Å; E216-Y229 HydrophobicContact CB-CE2 3.93Å; E216-Y229 HydrophobicContact CG-CD2 4.27Å; E216-Y229 HydrophobicContact CG-CE2 4.3Å; E227-Y229 HydrophobicContact CB-CD2 4.16Å; E227-Y229 HydrophobicContact CB-CE2 3.6Å; E227-Y229 HydrophobicContact CG-CE2 4.49Å; E227-Y229 WeakPolarHBondContact OE2-CE2 3.36Å; E227-Y229 VanDerWaalsContact OE2-CZ 3.25Å; E227-Y229 PolarHBondContact OE2-OH 3.15Å
230	V	97.1	Very high	95	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.7	166.5	60.2	0	0	0	0	109.1	F61 S173 L174 W190 V195 V211 T212 F232	F61-V230 HydrophobicContact CD2-CB 4.45Å; F61-V230 HydrophobicContact CD2-CG1 4.03Å; F61-V230 HydrophobicContact CE2-CB 4.48Å; F61-V230 HydrophobicContact CE2-CG1 3.84Å; S173-V230 CarbonylContact C-O 3.55Å; S173-V230 VanDerWaalsContact CA-O 3.23Å; S173-V230 WeakPolarHBondContact CA-O 3.41Å; L174-V230 HydrophobicContact CB-CG1 3.81Å; L174-V230 PolarHBondContact N-O 3.45Å; L174-V230 PolarHBondContact O-N 3.09Å; W190-V230 HydrophobicContact CH2-CB 4.26Å; W190-V230 HydrophobicContact CZ2-CB 4.43Å; V195-V230 HydrophobicContact CG2-CG2 3.82Å; V211-V230 HydrophobicContact CG1-CG2 3.86Å; T212-V230 WeakPolarHBondContact O-CA 3.45Å; V230-F232 HydrophobicContact CB-CE2 4.39Å; V230-F232 HydrophobicContact CG1-CE2 3.91Å; V230-F232 HydrophobicContact CG1-CZ 4.43Å; V230-F232 HydrophobicContact CG2-CD2 4.36Å; V230-F232 HydrophobicContact CG2-CE1 4.36Å; V230-F232 HydrophobicContact CG2-CE2 3.63Å; V230-F232 HydrophobicContact CG2-CZ 3.64Å
231	T	96.7	Very high	95.1	Very high	26 Å²	26	49.4 Å²	49.4	16%	0.16	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.4	-179.9	-59.7	0	0	0	0	109.7	N171 C172 S173 V211 T212	N171-T231 HydrophobicContact CB-CG2 4.17Å; C172-T231 WeakPolarHBondContact O-CA 3.32Å; S173-T231 WeakPolarHBondContact OG-CG2 3.39Å; S173-T231 PolarHBondContact OG-OG1 3.32Å; V211-T231 WeakPolarHBondContact CA-O 3.36Å; T212-T231 PolarHBondContact N-O 3.43Å; T212-T231 PolarHBondContact O-N 3Å; T212-T231 WeakPolarHBondContact OG1-CB 3.37Å
232	F	95.8	Very high	95.2	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.1	176.1	-59.8	-88.3	0	0	0	108.8	V63 F76 M78 N171 C172 L208 V211 V230 F234	V63-F232 HydrophobicContact CG2-CE1 4.02Å; V63-F232 HydrophobicContact CG2-CZ 4.15Å; F76-F232 AromaticContact CE2-CD2 3.77Å; F76-F232 HydrophobicContact CE2-CD2 3.77Å; F76-F232 HydrophobicContact CE2-CE2 4.19Å; F76-F232 HydrophobicContact CE2-CG 4.43Å; F76-F232 AromaticContact CZ-CD2 3.98Å; F76-F232 HydrophobicContact CZ-CD2 3.98Å; F76-F232 HydrophobicContact CZ-CE2 4.41Å; M78-F232 HydrophobicContact CE-CD2 4.35Å; M78-F232 HydrophobicContact CE-CE2 3.6Å; M78-F232 HydrophobicContact CE-CZ 4.04Å; M78-F232 HydrophobicContact SD-CE2 3.96Å; M78-F232 HydrophobicContact SD-CZ 3.9Å; N171-F232 WeakPolarHBondContact CA-O 3.33Å; C172-F232 PolarHBondContact N-O 3.1Å; C172-F232 PolarHBondContact O-N 3.18Å; L208-F232 HydrophobicContact CD1-CB 4.06Å; L208-F232 HydrophobicContact CD1-CD1 4.08Å; V211-F232 HydrophobicContact CG1-CD1 4.22Å; V211-F232 HydrophobicContact CG1-CE1 4.02Å; V211-F232 HydrophobicContact CG2-CD1 3.78Å; V211-F232 HydrophobicContact CG2-CE1 4.02Å; V230-F232 HydrophobicContact CB-CE2 4.39Å; V230-F232 HydrophobicContact CG1-CE2 3.91Å; V230-F232 HydrophobicContact CG1-CZ 4.43Å; V230-F232 HydrophobicContact CG2-CD2 4.36Å; V230-F232 HydrophobicContact CG2-CE1 4.36Å; V230-F232 HydrophobicContact CG2-CE2 3.63Å; V230-F232 HydrophobicContact CG2-CZ 3.64Å; F232-F234 HydrophobicContact CB-CD2 4.3Å; F232-F234 HydrophobicContact CB-CE2 3.51Å; F232-F234 HydrophobicContact CB-CZ 3.7Å; F232-F234 HydrophobicContact CG-CZ 4.42Å
233	T	95.1	Very high	95.3	Very high	33 Å²	33	45.3 Å²	45.3	20%	0.202	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.2	176.5	-59.3	0	0	0	0	109.1	Q170 N171 V209 G210	Q170-T233 CarbonylContact O-C 3.56Å; Q170-T233 WeakPolarHBondContact O-CA 3.27Å; N171-T233 WeakPolarHBondContact OD1-CB 3.34Å; N171-T233 WeakPolarHBondContact OD1-CG2 3.44Å; N171-T233 PolarHBondContact OD1-OG1 3.34Å; V209-T233 PolarHBondContact N-O 3.03Å; G210-T233 PolarHBondContact N-O 3.11Å; G210-T233 PolarHBondContact O-N 3.48Å
234	F	95.1	Very high	95.2	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.3	179.1	-60.6	-79.4	0	0	0	110.3	I66 V69 F76 A169 Q170 C172 L203 F206 D207 L208 F232	I66-F234 HydrophobicContact CD1-CE1 3.69Å; I66-F234 HydrophobicContact CD1-CZ 3.89Å; I66-F234 HydrophobicContact CG2-CE1 4.08Å; I66-F234 HydrophobicContact CG2-CZ 4.07Å; V69-F234 HydrophobicContact CG2-CD1 4.07Å; V69-F234 HydrophobicContact CG2-CD2 4.23Å; V69-F234 HydrophobicContact CG2-CE1 3.95Å; V69-F234 HydrophobicContact CG2-CE2 4.11Å; V69-F234 HydrophobicContact CG2-CG 4.2Å; V69-F234 HydrophobicContact CG2-CZ 3.96Å; F76-F234 HydrophobicContact CD2-CE2 4.32Å; F76-F234 HydrophobicContact CD2-CZ 4.31Å; A169-F234 CarbonylContact C-O 3.53Å; A169-F234 VanDerWaalsContact CA-O 3.3Å; A169-F234 WeakPolarHBondContact CA-O 3.4Å; Q170-F234 PolarHBondContact N-O 3.16Å; Q170-F234 PolarHBondContact O-N 3.29Å; C172-F234 HydrophobicContact CB-CE2 4.08Å; L203-F234 HydrophobicContact CD1-CD1 3.99Å; L203-F234 HydrophobicContact CD1-CE1 3.85Å; F206-F234 HydrophobicContact CB-CB 4.28Å; F206-F234 HydrophobicContact CD1-CB 3.87Å; F206-F234 HydrophobicContact CG-CB 4.32Å; D207-F234 CarbonylContact O-C 3.52Å; D207-F234 WeakPolarHBondContact O-CA 3.38Å; L208-F234 HydrophobicContact CB-CD1 4.45Å; L208-F234 HydrophobicContact CB-CE1 4.44Å; L208-F234 HydrophobicContact CD1-CD1 4.13Å; L208-F234 HydrophobicContact CD1-CE1 3.86Å; L208-F234 HydrophobicContact CD1-CZ 4.3Å; F232-F234 HydrophobicContact CB-CD2 4.3Å; F232-F234 HydrophobicContact CB-CE2 3.51Å; F232-F234 HydrophobicContact CB-CZ 3.7Å; F232-F234 HydrophobicContact CG-CZ 4.42Å
235	Q	94.1	Very high	95	Very high	92 Å²	92	47.8 Å²	47.8	43%	0.43	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.4	172.5	-179.6	172.5	6.1	0	0	109.9	F206 D207 V209	F206-Q235 CarbonylContact C-O 3.53Å; F206-Q235 VanDerWaalsContact CA-O 3.32Å; F206-Q235 WeakPolarHBondContact CA-O 3.16Å; D207-Q235 PolarHBondContact N-O 3.45Å; D207-Q235 PolarHBondContact O-N 3.24Å; V209-Q235 HydrophobicContact CG2-CB 3.33Å; V209-Q235 HydrophobicContact CG2-CG 4.39Å
236	R	94.2	Very high	94.9	Very high	3 Å²	3	46.2 Å²	46.2	1%	0.011	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	140.1	-178.7	-174.9	178.5	-56.4	-74.9	-5.8	112.2	E71 P166 D168 F206 Y238 Y241	E71-R236 IonicContact OE1-CZ 2.71Å; E71-R236 IonicContact OE1-NH1 3.75Å; E71-R236 PolarHBondContact OE1-NH1 2.86Å; E71-R236 IonicContact OE1-NH2 2.68Å; E71-R236 PolarHBondContact OE1-NH2 3.21Å; P166-R236 VanDerWaalsContact O-CD 3.32Å; P166-R236 WeakPolarHBondContact O-CD 3.24Å; D168-R236 PolarHBondContact O-N 3.22Å; D168-R236 WeakPolarHBondContact OD1-CD 3.43Å; D168-R236 IonicContact OD1-CZ 2.91Å; D168-R236 IonicContact OD1-NE 3.22Å; D168-R236 PolarHBondContact OD1-NE 3.04Å; D168-R236 IonicContact OD1-NH2 2.77Å; D168-R236 IonicContact OD2-CZ 3.05Å; D168-R236 IonicContact OD2-NE 3.4Å; D168-R236 PolarHBondContact OD2-NE 3.35Å; D168-R236 IonicContact OD2-NH2 3.22Å; D168-R236 PolarHBondContact OD2-NH2 2.83Å; F206-R236 HydrophobicContact CD1-CB 4.21Å; F206-R236 HydrophobicContact CE1-CB 4Å; F206-R236 HydrophobicContact CE1-CG 4.46Å; R236-Y238 PolarHBondContact O-N 3.22Å; R236-Y238 VanDerWaalsContact O-N 3.15Å; R236-Y241 HydrophobicContact CG-CE2 4.09Å; R236-Y241 PolarHBondContact NH1-OH 2.91Å
237	R	94.2	Very high	94.8	Very high	93 Å²	93	49.7 Å²	49.7	35%	0.351	23%	0.228	S	C	.	.			trans	-79.3	90	167.8	-70.6	-178.3	170.2	-171.6	7.4	110.6	S202 P204 D205 D207 I239	S202-R237 PolarHBondContact OG-NH2 3.37Å; P204-R237 WeakPolarHBondContact O-CD 3.3Å; D205-R237 PolarHBondContact O-N 3.49Å; D207-R237 VanDerWaalsContact CG-NE 3.29Å; D207-R237 IonicContact OD1-CZ 2.68Å; D207-R237 IonicContact OD1-NE 3.16Å; D207-R237 PolarHBondContact OD1-NE 2.97Å; D207-R237 IonicContact OD1-NH2 3.97Å; D207-R237 PolarHBondContact OD1-NH2 2.74Å; D207-R237 VanDerWaalsContact OD2-CG 3.27Å; D207-R237 WeakPolarHBondContact OD2-CG 3.33Å; D207-R237 IonicContact OD2-CZ 2.77Å; D207-R237 IonicContact OD2-NE 2.86Å; D207-R237 PolarHBondContact OD2-NE 3.19Å; R237-I239 PolarHBondContact O-N 3.24Å
238	Y	93	Very high	94.7	Very high	92 Å²	92	50.8 Å²	50.8	36%	0.361	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.7	-170.1	59.3	-99.1	0	0	0	115.3	P166 L167 R236 W240 Y241 I242	P166-Y238 WeakPolarHBondContact O-CB 3.45Å; L167-Y238 HydrophobicContact CD2-CD1 3.84Å; L167-Y238 HydrophobicContact CD2-CD2 4.02Å; L167-Y238 HydrophobicContact CD2-CE1 4.25Å; L167-Y238 HydrophobicContact CD2-CE2 4.42Å; L167-Y238 HydrophobicContact CD2-CG 3.7Å; R236-Y238 PolarHBondContact O-N 3.22Å; R236-Y238 VanDerWaalsContact O-N 3.15Å; Y238-W240 VanDerWaalsContact C-N 3.3Å; Y238-W240 PolarHBondContact O-N 2.91Å; Y238-Y241 WeakPolarHBondContact O-CB 2.91Å; Y238-Y241 PolarHBondContact O-N 2.71Å; Y238-I242 HydrophobicContact CD2-CD1 3.44Å; Y238-I242 VanDerWaalsContact CD2-CD1 3.44Å; Y238-I242 HydrophobicContact CD2-CG1 4.09Å; Y238-I242 HydrophobicContact CE2-CD1 3.67Å; Y238-I242 PolarHBondContact O-N 3.05Å
239	I	93.1	Very high	94.6	Very high	114 Å²	114	50.8 Å²	50.8	59%	0.585	24%	0.237	S	C	*	.	H	α-helix	trans	-57.4	-41.8	-172.5	-66.6	164.2	0	0	0	111.9	R237 Y241 I242 L243	R237-I239 PolarHBondContact O-N 3.24Å; I239-Y241 VanDerWaalsContact C-N 3.29Å; I239-Y241 PolarHBondContact O-N 3.44Å; I239-I242 WeakPolarHBondContact O-CB 3.07Å; I239-I242 PolarHBondContact O-N 3.2Å; I239-I242 VanDerWaalsContact O-N 3.16Å; I239-L243 HydrophobicContact CG2-CD1 4.17Å; I239-L243 HydrophobicContact CG2-CG 4.44Å; I239-L243 WeakPolarHBondContact O-CG 3.47Å; I239-L243 PolarHBondContact O-N 3.48Å
240	W	93.4	Very high	94.4	Very high	141 Å²	141	50.9 Å²	50.9	53%	0.534	24%	0.237	S	C	.	.	H	α-helix	trans	-59.8	-41.3	178.2	179.7	89.1	0	0	0	111.9	Y238 L243 Q244	Y238-W240 VanDerWaalsContact C-N 3.3Å; Y238-W240 PolarHBondContact O-N 2.91Å; W240-L243 PolarHBondContact O-N 2.87Å; W240-Q244 HydrophobicContact CD2-CG 4.18Å; W240-Q244 HydrophobicContact CZ2-CG 4.03Å; W240-Q244 WeakPolarHBondContact O-CB 3.05Å; W240-Q244 WeakPolarHBondContact O-CG 3.34Å; W240-Q244 PolarHBondContact O-N 2.86Å
241	Y	93.5	Very high	94.3	Very high	36 Å²	36	55.7 Å²	55.7	14%	0.141	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-35.9	176.7	-58.2	-85.7	0	0	0	112	F165 P166 R236 Y238 I239 A245 Y246	F165-Y241 HydrophobicContact CE1-CD1 4.28Å; F165-Y241 HydrophobicContact CE1-CE1 4.39Å; F165-Y241 HydrophobicContact CE2-CD1 4.45Å; F165-Y241 AromaticContact CE2-CE1 3.93Å; F165-Y241 HydrophobicContact CE2-CE1 3.93Å; F165-Y241 AromaticContact CE2-CZ 3.98Å; F165-Y241 AromaticContact CZ-CD1 3.62Å; F165-Y241 HydrophobicContact CZ-CD1 3.62Å; F165-Y241 AromaticContact CZ-CE1 3.35Å; F165-Y241 HydrophobicContact CZ-CE1 3.35Å; F165-Y241 HydrophobicContact CZ-CG 4.38Å; F165-Y241 AromaticContact CZ-CZ 3.89Å; P166-Y241 HydrophobicContact CB-CD1 4.41Å; P166-Y241 HydrophobicContact CB-CD2 3.85Å; P166-Y241 HydrophobicContact CB-CE2 4.45Å; P166-Y241 HydrophobicContact CB-CG 3.8Å; P166-Y241 HydrophobicContact CG-CG 4.28Å; R236-Y241 HydrophobicContact CG-CE2 4.09Å; R236-Y241 PolarHBondContact NH1-OH 2.91Å; Y238-Y241 WeakPolarHBondContact O-CB 2.91Å; Y238-Y241 PolarHBondContact O-N 2.71Å; I239-Y241 VanDerWaalsContact C-N 3.29Å; I239-Y241 PolarHBondContact O-N 3.44Å; Y241-A245 WeakPolarHBondContact O-CA 3.03Å; Y241-A245 WeakPolarHBondContact O-CB 3.29Å; Y241-A245 PolarHBondContact O-N 3.4Å; Y241-Y246 PolarHBondContact O-N 2.82Å
242	I	94	Very high	94.2	Very high	48 Å²	48	55.1 Å²	55.1	25%	0.246	26%	0.259	C	S	.	.	I	π-helix	trans	-59	-49	172.1	-65.2	-178.2	0	0	0	110.6	Y238 I239 Y246 I247	Y238-I242 HydrophobicContact CD2-CD1 3.44Å; Y238-I242 VanDerWaalsContact CD2-CD1 3.44Å; Y238-I242 HydrophobicContact CD2-CG1 4.09Å; Y238-I242 HydrophobicContact CE2-CD1 3.67Å; Y238-I242 PolarHBondContact O-N 3.05Å; I239-I242 WeakPolarHBondContact O-CB 3.07Å; I239-I242 PolarHBondContact O-N 3.2Å; I239-I242 VanDerWaalsContact O-N 3.16Å; I242-Y246 HydrophobicContact CG1-CD2 4.33Å; I242-Y246 WeakPolarHBondContact O-CB 3.22Å; I242-Y246 PolarHBondContact O-N 2.79Å; I242-I247 PolarHBondContact O-N 3.26Å
243	L	94.1	Very high	94.2	Very high	97 Å²	97	55 Å²	55	51%	0.508	26%	0.258	S	S	.	.	I	π-helix	trans	-68.3	-37	-177	-65.5	176.5	0	0	0	113.1	I239 W240 I247 P248	I239-L243 HydrophobicContact CG2-CD1 4.17Å; I239-L243 HydrophobicContact CG2-CG 4.44Å; I239-L243 WeakPolarHBondContact O-CG 3.47Å; I239-L243 PolarHBondContact O-N 3.48Å; W240-L243 PolarHBondContact O-N 2.87Å; L243-I247 HydrophobicContact CD2-CD1 3.55Å; L243-P248 VanDerWaalsContact O-CD 3.29Å; L243-P248 WeakPolarHBondContact O-CD 3.49Å
244	Q	91.8	Very high	94.1	Very high	119 Å²	119	57.9 Å²	57.9	56%	0.556	27%	0.268	S	S	*	.	I	π-helix	trans	-94	-28.4	-173.6	-68.1	-68.2	-10.8	0	0	114.2	W240 P248	W240-Q244 HydrophobicContact CD2-CG 4.18Å; W240-Q244 HydrophobicContact CZ2-CG 4.03Å; W240-Q244 WeakPolarHBondContact O-CB 3.05Å; W240-Q244 WeakPolarHBondContact O-CG 3.34Å; W240-Q244 PolarHBondContact O-N 2.86Å; Q244-P248 WeakPolarHBondContact O-CG 3.39Å
245	A	92.9	Very high	94	Very high	6 Å²	6	61.9 Å²	61.9	5%	0.05	29%	0.288	C	S	.	.	I	π-helix	trans	-105.7	-59.5	-179.8	0	0	0	0	0	111.4	Y241 T249 I288 I301	Y241-A245 WeakPolarHBondContact O-CA 3.03Å; Y241-A245 WeakPolarHBondContact O-CB 3.29Å; Y241-A245 PolarHBondContact O-N 3.4Å; A245-T249 WeakPolarHBondContact O-CB 3.46Å; A245-T249 WeakPolarHBondContact O-CG2 3.3Å; A245-T249 PolarHBondContact O-N 2.89Å; A245-T249 PolarHBondContact O-OG1 2.71Å; A245-I288 HydrophobicContact CB-CD1 3.46Å; A245-I288 VanDerWaalsContact CB-CD1 3.46Å; A245-I288 HydrophobicContact CB-CG1 4.43Å; A245-I301 HydrophobicContact CB-CD1 4.3Å
246	Y	94.9	Very high	93.9	Very high	3 Å²	3	57.5 Å²	57.5	1%	0.012	27%	0.268	C	S	.	.	I	π-helix	trans	-67.6	-52	-171.3	-69.5	-95.6	0	0	0	111.9	P166 Y241 I242 T249 Y250 I301 W304 Y413 W414	P166-Y246 HydrophobicContact CG-CE2 4.15Å; Y241-Y246 PolarHBondContact O-N 2.82Å; I242-Y246 HydrophobicContact CG1-CD2 4.33Å; I242-Y246 WeakPolarHBondContact O-CB 3.22Å; I242-Y246 PolarHBondContact O-N 2.79Å; Y246-T249 WeakPolarHBondContact CA-OG1 3.28Å; Y246-T249 PolarHBondContact O-N 2.61Å; Y246-T249 PolarHBondContact O-OG1 3.06Å; Y246-Y250 WeakPolarHBondContact O-CD2 3.41Å; Y246-Y250 PolarHBondContact O-N 3.3Å; Y246-I301 HydrophobicContact CE2-CD1 3.85Å; Y246-W304 AromaticContact CD1-CD2 3.76Å; Y246-W304 HydrophobicContact CD1-CD2 3.76Å; Y246-W304 AromaticContact CD1-CE2 3.56Å; Y246-W304 HydrophobicContact CD1-CE3 4.26Å; Y246-W304 HydrophobicContact CD1-CG 4.13Å; Y246-W304 HydrophobicContact CD1-CH2 4.46Å; Y246-W304 AromaticContact CD1-CZ2 3.95Å; Y246-W304 HydrophobicContact CD1-CZ2 3.95Å; Y246-W304 AromaticContact CD1-NE1 3.76Å; Y246-W304 HydrophobicContact CE1-CB 4.34Å; Y246-W304 AromaticContact CE1-CD2 3.66Å; Y246-W304 HydrophobicContact CE1-CD2 3.66Å; Y246-W304 AromaticContact CE1-CE2 3.98Å; Y246-W304 HydrophobicContact CE1-CE3 4.05Å; Y246-W304 AromaticContact CE1-CG 3.76Å; Y246-W304 HydrophobicContact CE1-CG 3.76Å; Y246-Y413 AromaticContact CE1-CE1 3.78Å; Y246-Y413 HydrophobicContact CE1-CE1 3.78Å; Y246-Y413 PolarHBondContact OH-OH 2.68Å; Y246-W414 AromaticContact CD1-CH2 3.82Å; Y246-W414 HydrophobicContact CD1-CH2 3.82Å; Y246-W414 AromaticContact CD1-CZ2 3.54Å; Y246-W414 HydrophobicContact CD1-CZ2 3.54Å; Y246-W414 AromaticContact CE1-CH2 3.68Å; Y246-W414 HydrophobicContact CE1-CH2 3.68Å; Y246-W414 AromaticContact CE1-CZ2 3.64Å; Y246-W414 HydrophobicContact CE1-CZ2 3.64Å; Y246-W414 HydrophobicContact CE2-CH2 4.5Å; Y246-W414 HydrophobicContact CG-CH2 4.3Å; Y246-W414 HydrophobicContact CG-CZ2 4.27Å
247	I	95.2	Very high	93.8	Very high	75 Å²	75	59 Å²	59	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-58.2	-49.8	-177.6	-65.9	-177.9	0	0	0	112.6	I242 L243 T249 Y250 L251	I242-I247 PolarHBondContact O-N 3.26Å; L243-I247 HydrophobicContact CD2-CD1 3.55Å; I247-T249 VanDerWaalsContact C-N 3.3Å; I247-T249 PolarHBondContact O-N 2.94Å; I247-Y250 PolarHBondContact O-N 2.77Å; I247-L251 HydrophobicContact CG2-CD1 4.25Å; I247-L251 WeakPolarHBondContact O-CG 3.48Å; I247-L251 PolarHBondContact O-N 3.31Å; I247-L251 VanDerWaalsContact O-N 3.08Å
248	P	94.9	Very high	93.6	Very high	36 Å²	36	58 Å²	58	23%	0.234	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-33.7	178.2	-27	38.6	0	0	0	113.4	L243 Q244 L251 T252 M284	L243-P248 VanDerWaalsContact O-CD 3.29Å; L243-P248 WeakPolarHBondContact O-CD 3.49Å; Q244-P248 WeakPolarHBondContact O-CG 3.39Å; P248-L251 PolarHBondContact O-N 2.77Å; P248-T252 WeakPolarHBondContact O-CB 3.47Å; P248-T252 PolarHBondContact O-N 2.99Å; P248-T252 PolarHBondContact O-OG1 2.98Å; P248-M284 HydrophobicContact CB-CE 4.31Å; P248-M284 HydrophobicContact CB-SD 3.91Å
249	T	94.9	Very high	93.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-42.3	175.1	59.9	0	0	0	0	112.5	A245 Y246 I247 L251 T252 I253 M281 M284 W304	A245-T249 WeakPolarHBondContact O-CB 3.46Å; A245-T249 WeakPolarHBondContact O-CG2 3.3Å; A245-T249 PolarHBondContact O-N 2.89Å; A245-T249 PolarHBondContact O-OG1 2.71Å; Y246-T249 WeakPolarHBondContact CA-OG1 3.28Å; Y246-T249 PolarHBondContact O-N 2.61Å; Y246-T249 PolarHBondContact O-OG1 3.06Å; I247-T249 VanDerWaalsContact C-N 3.3Å; I247-T249 PolarHBondContact O-N 2.94Å; T249-L251 PolarHBondContact O-N 2.78Å; T249-T252 PolarHBondContact O-N 3.17Å; T249-I253 VanDerWaalsContact O-CG1 3.32Å; T249-I253 WeakPolarHBondContact O-CG1 3.44Å; T249-I253 PolarHBondContact O-N 3.44Å; T249-M281 HydrophobicContact CG2-CE 3.74Å; T249-M281 HydrophobicContact CG2-SD 3.89Å; T249-M284 HydrophobicContact CG2-SD 4.08Å; T249-W304 PolarHBondContact OG1-NE1 3.32Å
250	Y	95.4	Very high	93.3	Very high	54 Å²	54	48.6 Å²	48.6	21%	0.212	24%	0.235	C	C	.	.	H	α-helix	trans	-58	-49.4	172.2	-80	-70.7	0	0	0	112.3	Y246 I247 T252 I253 F254 W304 F406 N410 W414	Y246-Y250 WeakPolarHBondContact O-CD2 3.41Å; Y246-Y250 PolarHBondContact O-N 3.3Å; I247-Y250 PolarHBondContact O-N 2.77Å; Y250-T252 VanDerWaalsContact C-N 3.25Å; Y250-T252 PolarHBondContact O-N 2.8Å; Y250-I253 PolarHBondContact O-N 2.91Å; Y250-F254 HydrophobicContact CD1-CZ 4.16Å; Y250-F254 WeakPolarHBondContact O-CD2 3.47Å; Y250-F254 VanDerWaalsContact O-CG 3.26Å; Y250-F254 WeakPolarHBondContact O-CG 3.45Å; Y250-F254 PolarHBondContact O-N 3.33Å; Y250-W304 HydrophobicContact CD1-CH2 4.31Å; Y250-W304 HydrophobicContact CD1-CZ2 4.4Å; Y250-W304 HydrophobicContact CD2-CH2 4.49Å; Y250-W304 HydrophobicContact CD2-CZ2 4.15Å; Y250-W304 AromaticContact CE1-CH2 3.59Å; Y250-W304 HydrophobicContact CE1-CH2 3.59Å; Y250-W304 HydrophobicContact CE1-CZ2 4.08Å; Y250-W304 AromaticContact CE2-CH2 3.8Å; Y250-W304 HydrophobicContact CE2-CH2 3.8Å; Y250-W304 AromaticContact CE2-CZ2 3.79Å; Y250-W304 HydrophobicContact CE2-CZ2 3.79Å; Y250-W304 HydrophobicContact CG-CZ2 4.44Å; Y250-W304 AromaticContact CZ-CH2 3.31Å; Y250-W304 AromaticContact CZ-CZ2 3.78Å; Y250-W304 WeakPolarHBondContact OH-CH2 3.35Å; Y250-F406 AromaticContact CD1-CE1 3.65Å; Y250-F406 HydrophobicContact CD1-CE1 3.65Å; Y250-F406 AromaticContact CD1-CZ 3.88Å; Y250-F406 HydrophobicContact CD1-CZ 3.88Å; Y250-F406 AromaticContact CE1-CE1 3.63Å; Y250-F406 HydrophobicContact CE1-CE1 3.63Å; Y250-F406 AromaticContact CE1-CZ 3.83Å; Y250-F406 HydrophobicContact CE1-CZ 3.83Å; Y250-N410 PolarHBondContact OH-OD1 2.8Å; Y250-W414 PolarHBondContact OH-NE1 2.71Å
251	L	94.8	Very high	93	Very high	100 Å²	100	46.8 Å²	46.8	52%	0.524	24%	0.239	S	C	.	.	H	α-helix	trans	-59	-40.3	179.3	-66.5	176.4	0	0	0	111.5	I247 P248 T249 F254 I255	I247-L251 HydrophobicContact CG2-CD1 4.25Å; I247-L251 WeakPolarHBondContact O-CG 3.48Å; I247-L251 PolarHBondContact O-N 3.31Å; I247-L251 VanDerWaalsContact O-N 3.08Å; P248-L251 PolarHBondContact O-N 2.77Å; T249-L251 PolarHBondContact O-N 2.78Å; L251-F254 PolarHBondContact O-N 2.84Å; L251-I255 VanDerWaalsContact O-CG1 3.26Å; L251-I255 WeakPolarHBondContact O-CG1 3.24Å; L251-I255 PolarHBondContact O-N 2.71Å
252	T	94.8	Very high	92.7	Very high	14 Å²	14	47.5 Å²	47.5	9%	0.086	25%	0.245	C	C	.	.	H	α-helix	trans	-66.5	-38.3	179.1	-56.5	0	0	0	0	112.3	P248 T249 Y250 I255 S256 S277 A280 M281 M284	P248-T252 WeakPolarHBondContact O-CB 3.47Å; P248-T252 PolarHBondContact O-N 2.99Å; P248-T252 PolarHBondContact O-OG1 2.98Å; T249-T252 PolarHBondContact O-N 3.17Å; Y250-T252 VanDerWaalsContact C-N 3.25Å; Y250-T252 PolarHBondContact O-N 2.8Å; T252-I255 PolarHBondContact O-N 3.41Å; T252-S256 PolarHBondContact O-N 3.28Å; T252-S256 VanDerWaalsContact O-N 3.08Å; T252-S277 WeakPolarHBondContact CG2-O 3.48Å; T252-A280 HydrophobicContact CG2-CB 4.26Å; T252-M281 HydrophobicContact CG2-CE 3.51Å; T252-M281 HydrophobicContact CG2-CG 3.95Å; T252-M281 HydrophobicContact CG2-SD 4.05Å; T252-M281 WeakPolarHBondContact OG1-CE 3.47Å; T252-M284 WeakPolarHBondContact OG1-CE 3.43Å
253	I	94.3	Very high	92.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-41.1	174.8	-67.8	164.5	0	0	0	110.8	T249 Y250 I255 S256 W257 C308 F406	T249-I253 VanDerWaalsContact O-CG1 3.32Å; T249-I253 WeakPolarHBondContact O-CG1 3.44Å; T249-I253 PolarHBondContact O-N 3.44Å; Y250-I253 PolarHBondContact O-N 2.91Å; I253-I255 VanDerWaalsContact C-N 3.31Å; I253-I255 PolarHBondContact O-N 2.6Å; I253-S256 PolarHBondContact O-N 3.49Å; I253-S256 VanDerWaalsContact O-N 3.14Å; I253-S256 PolarHBondContact O-OG 3.34Å; I253-W257 HydrophobicContact CG2-CD2 4.33Å; I253-W257 HydrophobicContact CG2-CH2 4.27Å; I253-W257 HydrophobicContact CG2-CZ2 3.5Å; I253-W257 PolarHBondContact O-N 3.03Å; I253-W257 VanDerWaalsContact O-N 3.11Å; I253-C308 HydrophobicContact CD1-CB 3.64Å; I253-C308 WeakPolarHBondContact CD1-SG 3.5Å; I253-C308 HydrophobicContact CG1-CB 4.42Å; I253-F406 HydrophobicContact CD1-CD2 4.41Å; I253-F406 HydrophobicContact CD1-CE1 4.31Å; I253-F406 HydrophobicContact CD1-CE2 3.5Å; I253-F406 VanDerWaalsContact CD1-CE2 3.5Å; I253-F406 HydrophobicContact CD1-CZ 3.43Å; I253-F406 VanDerWaalsContact CD1-CZ 3.43Å; I253-F406 HydrophobicContact CG2-CD1 4.48Å; I253-F406 HydrophobicContact CG2-CE1 4.36Å; I253-F406 HydrophobicContact CG2-CZ 4.4Å
254	F	93.4	Very high	91.5	Very high	92 Å²	92	42.8 Å²	42.8	40%	0.404	23%	0.231	S	C	.	.	H	α-helix	trans	-64.4	-37.5	176.3	-61.3	-21.9	0	0	0	112	Y250 L251 S256 W257 V258	Y250-F254 HydrophobicContact CD1-CZ 4.16Å; Y250-F254 WeakPolarHBondContact O-CD2 3.47Å; Y250-F254 VanDerWaalsContact O-CG 3.26Å; Y250-F254 WeakPolarHBondContact O-CG 3.45Å; Y250-F254 PolarHBondContact O-N 3.33Å; L251-F254 PolarHBondContact O-N 2.84Å; F254-S256 VanDerWaalsContact C-N 3.31Å; F254-S256 PolarHBondContact O-N 3.18Å; F254-W257 HydrophobicContact CD1-CD2 4.39Å; F254-W257 AromaticContact CD1-CE3 3.66Å; F254-W257 HydrophobicContact CD1-CE3 3.66Å; F254-W257 AromaticContact CD1-CH2 3.96Å; F254-W257 HydrophobicContact CD1-CH2 3.96Å; F254-W257 AromaticContact CD1-CZ3 3.41Å; F254-W257 HydrophobicContact CD1-CZ3 3.41Å; F254-W257 VanDerWaalsContact CD1-CZ3 3.41Å; F254-W257 HydrophobicContact CE1-CE3 4.22Å; F254-W257 AromaticContact CE1-CH2 3.79Å; F254-W257 HydrophobicContact CE1-CH2 3.79Å; F254-W257 AromaticContact CE1-CZ3 3.49Å; F254-W257 HydrophobicContact CE1-CZ3 3.49Å; F254-W257 VanDerWaalsContact CE1-CZ3 3.49Å; F254-W257 PolarHBondContact O-N 3.18Å; F254-V258 PolarHBondContact O-N 2.86Å
255	I	92.9	Very high	91	Very high	84 Å²	84	41.5 Å²	41.5	43%	0.431	22%	0.222	S	C	.	.	H	α-helix	trans	-62.5	-38.9	172.7	-69.2	164.3	0	0	0	111.2	L251 T252 I253 W257 V258 L273	L251-I255 VanDerWaalsContact O-CG1 3.26Å; L251-I255 WeakPolarHBondContact O-CG1 3.24Å; L251-I255 PolarHBondContact O-N 2.71Å; T252-I255 PolarHBondContact O-N 3.41Å; I253-I255 VanDerWaalsContact C-N 3.31Å; I253-I255 PolarHBondContact O-N 2.6Å; I255-W257 VanDerWaalsContact C-N 3.26Å; I255-W257 PolarHBondContact O-N 3.21Å; I255-V258 WeakPolarHBondContact O-CB 3.27Å; I255-V258 PolarHBondContact O-N 3.12Å; I255-L273 HydrophobicContact CG2-CD2 4.01Å
256	S	92.4	Very high	90.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-32.3	177	79.4	0	0	0	0	111.7	T252 I253 F254 S259	T252-S256 PolarHBondContact O-N 3.28Å; T252-S256 VanDerWaalsContact O-N 3.08Å; I253-S256 PolarHBondContact O-N 3.49Å; I253-S256 VanDerWaalsContact O-N 3.14Å; I253-S256 PolarHBondContact O-OG 3.34Å; F254-S256 VanDerWaalsContact C-N 3.31Å; F254-S256 PolarHBondContact O-N 3.18Å; S256-S259 VanDerWaalsContact O-CB 3.26Å; S256-S259 WeakPolarHBondContact O-CB 3.48Å; S256-S259 PolarHBondContact O-N 2.79Å; S256-S259 PolarHBondContact O-OG 2.95Å
257	W	91.6	Very high	90.5	Very high	36 Å²	36	45.6 Å²	45.6	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-72.6	-26	175.5	-60.3	-11.1	0	0	0	114.5	I253 F254 I255 S259 F260 P403 F406	I253-W257 HydrophobicContact CG2-CD2 4.33Å; I253-W257 HydrophobicContact CG2-CH2 4.27Å; I253-W257 HydrophobicContact CG2-CZ2 3.5Å; I253-W257 PolarHBondContact O-N 3.03Å; I253-W257 VanDerWaalsContact O-N 3.11Å; F254-W257 HydrophobicContact CD1-CD2 4.39Å; F254-W257 AromaticContact CD1-CE3 3.66Å; F254-W257 HydrophobicContact CD1-CE3 3.66Å; F254-W257 AromaticContact CD1-CH2 3.96Å; F254-W257 HydrophobicContact CD1-CH2 3.96Å; F254-W257 AromaticContact CD1-CZ3 3.41Å; F254-W257 HydrophobicContact CD1-CZ3 3.41Å; F254-W257 VanDerWaalsContact CD1-CZ3 3.41Å; F254-W257 HydrophobicContact CE1-CE3 4.22Å; F254-W257 AromaticContact CE1-CH2 3.79Å; F254-W257 HydrophobicContact CE1-CH2 3.79Å; F254-W257 AromaticContact CE1-CZ3 3.49Å; F254-W257 HydrophobicContact CE1-CZ3 3.49Å; F254-W257 VanDerWaalsContact CE1-CZ3 3.49Å; F254-W257 PolarHBondContact O-N 3.18Å; I255-W257 VanDerWaalsContact C-N 3.26Å; I255-W257 PolarHBondContact O-N 3.21Å; W257-S259 PolarHBondContact O-N 2.87Å; W257-S259 VanDerWaalsContact O-N 3.13Å; W257-F260 HydrophobicContact CB-CD2 4.03Å; W257-F260 HydrophobicContact CB-CE2 4.06Å; W257-F260 AromaticContact CD1-CE2 3.54Å; W257-F260 HydrophobicContact CG-CD2 4.4Å; W257-F260 AromaticContact CG-CE2 3.98Å; W257-F260 HydrophobicContact CG-CE2 3.98Å; W257-F260 WeakPolarHBondContact O-CB 3.45Å; W257-F260 WeakPolarHBondContact O-CD2 3.26Å; W257-F260 WeakPolarHBondContact O-CG 2.99Å; W257-F260 PolarHBondContact O-N 2.87Å; W257-P403 HydrophobicContact CD2-CG 4.03Å; W257-P403 HydrophobicContact CE3-CB 4.22Å; W257-P403 HydrophobicContact CE3-CG 3.71Å; W257-P403 VanDerWaalsContact CH2-CA 3.49Å; W257-P403 HydrophobicContact CH2-CB 3.83Å; W257-P403 HydrophobicContact CH2-CG 4.09Å; W257-P403 HydrophobicContact CZ2-CB 4.44Å; W257-P403 HydrophobicContact CZ2-CG 4.4Å; W257-P403 HydrophobicContact CZ3-CB 3.7Å; W257-P403 HydrophobicContact CZ3-CG 3.73Å; W257-F406 HydrophobicContact CH2-CB 3.97Å; W257-F406 AromaticContact CH2-CD1 3.63Å; W257-F406 HydrophobicContact CH2-CD1 3.63Å; W257-F406 HydrophobicContact CH2-CE1 4.49Å; W257-F406 HydrophobicContact CH2-CG 4.1Å; W257-F406 HydrophobicContact CZ2-CB 3.64Å; W257-F406 AromaticContact CZ2-CD1 3.81Å; W257-F406 HydrophobicContact CZ2-CD1 3.81Å; W257-F406 AromaticContact CZ2-CG 3.84Å; W257-F406 HydrophobicContact CZ2-CG 3.84Å
258	V	90.9	Very high	90.3	Very high	71 Å²	71	46.9 Å²	46.9	43%	0.43	26%	0.261	S	S	.	.	H	α-helix	trans	-57	-28.8	171.8	177.7	0	0	0	0	110.4	F254 I255 F260 T261 L262 L273	F254-V258 PolarHBondContact O-N 2.86Å; I255-V258 WeakPolarHBondContact O-CB 3.27Å; I255-V258 PolarHBondContact O-N 3.12Å; V258-F260 PolarHBondContact O-N 3.27Å; V258-T261 PolarHBondContact O-N 3.03Å; V258-T261 PolarHBondContact O-OG1 2.81Å; V258-L262 PolarHBondContact O-N 2.89Å; V258-L273 HydrophobicContact CG1-CD1 4.41Å
259	S	89.2	Confident	90.2	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-25.9	176.6	78.2	0	0	0	0	113.8	S256 W257 T261 L262 R270	S256-S259 VanDerWaalsContact O-CB 3.26Å; S256-S259 WeakPolarHBondContact O-CB 3.48Å; S256-S259 PolarHBondContact O-N 2.79Å; S256-S259 PolarHBondContact O-OG 2.95Å; W257-S259 PolarHBondContact O-N 2.87Å; W257-S259 VanDerWaalsContact O-N 3.13Å; S259-T261 VanDerWaalsContact C-N 3.35Å; S259-L262 PolarHBondContact O-N 3.4Å; S259-R270 WeakPolarHBondContact O-CG 3.47Å; S259-R270 PolarHBondContact O-NE 2.03Å
260	F	90.2	Very high	90.1	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-73.9	-27.1	175.8	-50.3	-37.7	0	0	0	112.7	W257 V258 L262 C399 F402	W257-F260 HydrophobicContact CB-CD2 4.03Å; W257-F260 HydrophobicContact CB-CE2 4.06Å; W257-F260 AromaticContact CD1-CE2 3.54Å; W257-F260 HydrophobicContact CG-CD2 4.4Å; W257-F260 AromaticContact CG-CE2 3.98Å; W257-F260 HydrophobicContact CG-CE2 3.98Å; W257-F260 WeakPolarHBondContact O-CB 3.45Å; W257-F260 WeakPolarHBondContact O-CD2 3.26Å; W257-F260 WeakPolarHBondContact O-CG 2.99Å; W257-F260 PolarHBondContact O-N 2.87Å; V258-F260 PolarHBondContact O-N 3.27Å; F260-L262 VanDerWaalsContact C-N 3.31Å; F260-C399 VanDerWaalsContact CB-SG 3.55Å; F260-F402 HydrophobicContact CE2-CB 3.93Å; F260-F402 HydrophobicContact CE2-CD1 4.33Å; F260-F402 HydrophobicContact CE2-CD2 4.09Å; F260-F402 AromaticContact CE2-CG 3.88Å; F260-F402 HydrophobicContact CE2-CG 3.88Å; F260-F402 HydrophobicContact CZ-CB 4.47Å; F260-F402 HydrophobicContact CZ-CD1 4.05Å; F260-F402 HydrophobicContact CZ-CD2 4.01Å; F260-F402 HydrophobicContact CZ-CE1 4.22Å; F260-F402 HydrophobicContact CZ-CE2 4.19Å; F260-F402 AromaticContact CZ-CG 3.94Å; F260-F402 HydrophobicContact CZ-CG 3.94Å; F260-F402 HydrophobicContact CZ-CZ 4.29Å
261	T	87.7	Confident	90	Very high	102 Å²	102	47.3 Å²	47.3	63%	0.626	27%	0.272	S	S	*	.	H	α-helix	trans	-80.8	-16.8	176.5	70.5	0	0	0	0	112.5	V258 S259 G263	V258-T261 PolarHBondContact O-N 3.03Å; V258-T261 PolarHBondContact O-OG1 2.81Å; S259-T261 VanDerWaalsContact C-N 3.35Å; T261-G263 PolarHBondContact O-N 3.49Å
262	L	87	Confident	89.9	Confident	51 Å²	51	48 Å²	48	27%	0.267	27%	0.274	S	S	.	.	S	Bend	trans	-75.6	109.3	171.5	-63.2	178.1	0	0	0	107.6	V258 S259 F260 A266 A269 R270 L273	V258-L262 PolarHBondContact O-N 2.89Å; S259-L262 PolarHBondContact O-N 3.4Å; F260-L262 VanDerWaalsContact C-N 3.31Å; L262-A266 HydrophobicContact CB-CB 4.27Å; L262-A269 HydrophobicContact CD1-CB 3.91Å; L262-R270 HydrophobicContact CB-CG 3.81Å; L262-R270 HydrophobicContact CD1-CG 4.08Å; L262-R270 PolarHBondContact O-NH1 3.44Å; L262-L273 HydrophobicContact CD1-CD1 3.65Å
263	G	81.4	Confident	89.9	Confident	40 Å²	40	49.2 Å²	49.2	41%	0.412	28%	0.28	S	S	.	.			trans	-49.5	158.8	-178.2	0	0	0	0	0	113.5	T261 Y265 A266	T261-G263 PolarHBondContact O-N 3.49Å; G263-Y265 PolarHBondContact O-N 2.74Å; G263-A266 PolarHBondContact O-N 2.67Å
264	P	80.2	Confident	89.9	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.039	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.1	-162.9	23.4	-35.8	0	0	0	114.7	I322 T326 A391 E392	P264-I322 HydrophobicContact CB-CG2 4.04Å; P264-T326 HydrophobicContact CB-CG2 4.19Å; P264-A391 HydrophobicContact CB-CB 4.07Å; P264-E392 HydrophobicContact CG-CG 3.93Å
265	Y	82.2	Confident	90	Very high	92 Å²	92	48.3 Å²	48.3	36%	0.361	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.8	178.1	-61	-71.4	0	0	0	114.4	G263 I267 Q334 V388	G263-Y265 PolarHBondContact O-N 2.74Å; Y265-I267 PolarHBondContact O-N 2.91Å; Y265-I267 VanDerWaalsContact O-N 3.15Å; Y265-Q334 HydrophobicContact CE1-CG 4.16Å; Y265-V388 HydrophobicContact CE2-CG1 4.32Å; Y265-V388 VanDerWaalsContact OH-CG1 3.27Å; Y265-V388 WeakPolarHBondContact OH-CG1 3.23Å; Y265-V388 WeakPolarHBondContact OH-CG2 3.11Å
266	A	88.3	Confident	90.1	Very high	35 Å²	35	48.5 Å²	48.5	29%	0.289	28%	0.284	S	S	.	.			trans	-87.6	41.1	-177.3	0	0	0	0	0	113.4	L262 G263 A269 R270	L262-A266 HydrophobicContact CB-CB 4.27Å; G263-A266 PolarHBondContact O-N 2.67Å; A266-A269 HydrophobicContact CB-CB 4.48Å; A266-A269 PolarHBondContact O-N 3.33Å; A266-A269 VanDerWaalsContact O-N 3.1Å; A266-R270 PolarHBondContact O-N 2.98Å; A266-R270 VanDerWaalsContact O-N 3.11Å
267	I	88.4	Confident	90.2	Very high	61 Å²	61	48.8 Å²	48.8	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-50.1	-48.4	-173.9	-56.9	174.2	0	0	0	112.9	Y265 A269 R270 T271 L319	Y265-I267 PolarHBondContact O-N 2.91Å; Y265-I267 VanDerWaalsContact O-N 3.15Å; I267-A269 VanDerWaalsContact C-N 3.33Å; I267-A269 PolarHBondContact O-N 3.46Å; I267-R270 PolarHBondContact O-N 2.71Å; I267-T271 PolarHBondContact O-N 3.23Å; I267-T271 PolarHBondContact O-OG1 3.36Å; I267-T271 VanDerWaalsContact O-OG1 3.05Å; I267-L319 HydrophobicContact CG2-CD1 4.49Å
268	P	91.7	Very high	90.4	Very high	102 Å²	102	48.4 Å²	48.4	66%	0.662	29%	0.286	S	S	*	.	H	α-helix	trans	-61.5	-38.8	-178.4	-23	34.6	0	0	0	113.6	M272	P268-M272 WeakPolarHBondContact O-CB 3.4Å; P268-M272 PolarHBondContact O-N 2.66Å
269	A	92.4	Very high	90.7	Very high	40 Å²	40	49 Å²	49	33%	0.331	29%	0.286	S	S	.	.	H	α-helix	trans	-68.9	-40.4	179	0	0	0	0	0	111.2	L262 A266 I267 M272 L273	L262-A269 HydrophobicContact CD1-CB 3.91Å; A266-A269 HydrophobicContact CB-CB 4.48Å; A266-A269 PolarHBondContact O-N 3.33Å; A266-A269 VanDerWaalsContact O-N 3.1Å; I267-A269 VanDerWaalsContact C-N 3.33Å; I267-A269 PolarHBondContact O-N 3.46Å; A269-M272 PolarHBondContact O-N 2.89Å; A269-L273 WeakPolarHBondContact O-CG 3.38Å; A269-L273 PolarHBondContact O-N 2.85Å; A269-L273 VanDerWaalsContact O-N 3.08Å
270	R	92.3	Very high	91	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.4	-45.7	175.2	-65.3	177.5	68	153	-1	111.9	S259 L262 A266 I267 M272 L273 G274 E318 L319 D395	S259-R270 WeakPolarHBondContact O-CG 3.47Å; S259-R270 PolarHBondContact O-NE 2.03Å; L262-R270 HydrophobicContact CB-CG 3.81Å; L262-R270 HydrophobicContact CD1-CG 4.08Å; L262-R270 PolarHBondContact O-NH1 3.44Å; A266-R270 PolarHBondContact O-N 2.98Å; A266-R270 VanDerWaalsContact O-N 3.11Å; I267-R270 PolarHBondContact O-N 2.71Å; R270-M272 VanDerWaalsContact C-N 3.32Å; R270-M272 PolarHBondContact O-N 2.96Å; R270-L273 PolarHBondContact O-N 2.86Å; R270-G274 PolarHBondContact O-N 2.81Å; R270-E318 IonicContact NH2-OE1 3.56Å; R270-E318 PolarHBondContact NH2-OE1 3.35Å; R270-E318 IonicContact NH2-OE2 3.85Å; R270-E318 PolarHBondContact NH2-OE2 2.89Å; R270-L319 HydrophobicContact CB-CD1 3.56Å; R270-L319 HydrophobicContact CB-CD2 4.15Å; R270-L319 HydrophobicContact CB-CG 4.46Å; R270-L319 HydrophobicContact CG-CD1 4.42Å; R270-D395 IonicContact CZ-OD1 3.18Å; R270-D395 IonicContact CZ-OD2 3.94Å; R270-D395 VanDerWaalsContact NH1-CG 3.29Å; R270-D395 IonicContact NH1-OD1 2.87Å; R270-D395 PolarHBondContact NH1-OD1 3.08Å; R270-D395 IonicContact NH1-OD2 2.91Å; R270-D395 PolarHBondContact NH1-OD2 2.84Å; R270-D395 IonicContact NH2-OD1 2.72Å; R270-D395 PolarHBondContact NH2-OD1 3.15Å
271	T	93	Very high	91.1	Very high	58 Å²	58	50.2 Å²	50.2	36%	0.356	30%	0.297	S	S	.	.	H	α-helix	trans	-59.3	-44.1	175.7	-53.1	0	0	0	0	111.2	I267 G274 V275	I267-T271 PolarHBondContact O-N 3.23Å; I267-T271 PolarHBondContact O-OG1 3.36Å; I267-T271 VanDerWaalsContact O-OG1 3.05Å; T271-G274 PolarHBondContact O-N 2.96Å; T271-V275 HydrophobicContact CG2-CG2 3.94Å; T271-V275 WeakPolarHBondContact O-CB 3.36Å; T271-V275 VanDerWaalsContact O-CG2 3.3Å; T271-V275 WeakPolarHBondContact O-CG2 3.21Å; T271-V275 PolarHBondContact O-N 2.89Å
272	M	94.6	Very high	91.5	Very high	114 Å²	114	48.9 Å²	48.9	56%	0.562	29%	0.285	S	S	*	.	H	α-helix	trans	-60.4	-47.2	179	-172.6	-179.1	80.6	0	0	112	P268 A269 R270 N276	P268-M272 WeakPolarHBondContact O-CB 3.4Å; P268-M272 PolarHBondContact O-N 2.66Å; A269-M272 PolarHBondContact O-N 2.89Å; R270-M272 VanDerWaalsContact C-N 3.32Å; R270-M272 PolarHBondContact O-N 2.96Å; M272-N276 WeakPolarHBondContact CG-ND2 3.46Å; M272-N276 WeakPolarHBondContact O-CB 3.29Å; M272-N276 PolarHBondContact O-N 3.01Å; M272-N276 PolarHBondContact O-ND2 2.9Å
273	L	94.1	Very high	91.8	Very high	41 Å²	41	52.2 Å²	52.2	22%	0.215	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-45.4	179.2	-68	177.5	0	0	0	112.3	I255 V258 L262 A269 R270 S277	I255-L273 HydrophobicContact CG2-CD2 4.01Å; V258-L273 HydrophobicContact CG1-CD1 4.41Å; L262-L273 HydrophobicContact CD1-CD1 3.65Å; A269-L273 WeakPolarHBondContact O-CG 3.38Å; A269-L273 PolarHBondContact O-N 2.85Å; A269-L273 VanDerWaalsContact O-N 3.08Å; R270-L273 PolarHBondContact O-N 2.86Å; L273-S277 WeakPolarHBondContact O-CB 3.01Å; L273-S277 PolarHBondContact O-N 3.03Å; L273-S277 PolarHBondContact O-OG 2.81Å
274	G	93.1	Very high	92.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-66.1	-48.2	179.6	0	0	0	0	0	112.9	R270 T271 S277 L278	R270-G274 PolarHBondContact O-N 2.81Å; T271-G274 PolarHBondContact O-N 2.96Å; G274-S277 PolarHBondContact O-N 2.85Å; G274-S277 PolarHBondContact O-OG 3.49Å; G274-L278 WeakPolarHBondContact O-CB 3.26Å; G274-L278 PolarHBondContact O-N 3.24Å
275	V	95.7	Very high	93.1	Very high	71 Å²	71	54.9 Å²	54.9	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-68.2	-42.1	-178.7	174.9	0	0	0	0	111.2	T271 L278 L279 L316	T271-V275 HydrophobicContact CG2-CG2 3.94Å; T271-V275 WeakPolarHBondContact O-CB 3.36Å; T271-V275 VanDerWaalsContact O-CG2 3.3Å; T271-V275 WeakPolarHBondContact O-CG2 3.21Å; T271-V275 PolarHBondContact O-N 2.89Å; V275-L278 PolarHBondContact O-N 2.81Å; V275-L279 WeakPolarHBondContact O-CB 3.48Å; V275-L279 PolarHBondContact O-N 3.09Å; V275-L316 HydrophobicContact CG2-CD2 4.15Å
276	N	95.8	Very high	93.6	Very high	89 Å²	89	51.8 Å²	51.8	48%	0.476	30%	0.298	S	S	.	.	H	α-helix	trans	-66.5	-40.1	178.8	-71.5	-10.6	0	0	0	111.9	M272 L279 A280	M272-N276 WeakPolarHBondContact CG-ND2 3.46Å; M272-N276 WeakPolarHBondContact O-CB 3.29Å; M272-N276 PolarHBondContact O-N 3.01Å; M272-N276 PolarHBondContact O-ND2 2.9Å; N276-L279 PolarHBondContact O-N 2.81Å; N276-A280 WeakPolarHBondContact O-CB 3.22Å; N276-A280 PolarHBondContact O-N 2.77Å
277	S	95.1	Very high	93.8	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-67	-40	176.8	61.3	0	0	0	0	111.6	T252 L273 G274 A280 M281 N312	T252-S277 WeakPolarHBondContact CG2-O 3.48Å; L273-S277 WeakPolarHBondContact O-CB 3.01Å; L273-S277 PolarHBondContact O-N 3.03Å; L273-S277 PolarHBondContact O-OG 2.81Å; G274-S277 PolarHBondContact O-N 2.85Å; G274-S277 PolarHBondContact O-OG 3.49Å; S277-A280 PolarHBondContact O-N 2.97Å; S277-M281 WeakPolarHBondContact O-CG 3.47Å; S277-M281 PolarHBondContact O-N 3.32Å; S277-N312 WeakPolarHBondContact CB-ND2 3.38Å; S277-N312 PolarHBondContact O-ND2 3.12Å; S277-N312 PolarHBondContact OG-ND2 2.87Å; S277-N312 PolarHBondContact OG-OD1 3.14Å
278	L	95.5	Very high	93.9	Very high	28 Å²	28	53 Å²	53	15%	0.147	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-44.9	174.6	-178.9	62	0	0	0	111.6	G274 V275 A280 M281 I282 M309 N312 L316	G274-L278 WeakPolarHBondContact O-CB 3.26Å; G274-L278 PolarHBondContact O-N 3.24Å; V275-L278 PolarHBondContact O-N 2.81Å; L278-A280 VanDerWaalsContact C-N 3.32Å; L278-A280 PolarHBondContact O-N 2.98Å; L278-M281 PolarHBondContact O-N 3.26Å; L278-I282 HydrophobicContact CD1-CD1 4.42Å; L278-I282 HydrophobicContact CG-CD1 4.12Å; L278-I282 WeakPolarHBondContact O-CG1 3.48Å; L278-I282 PolarHBondContact O-N 2.87Å; L278-M309 HydrophobicContact CD1-CE 4.15Å; L278-M309 HydrophobicContact CD1-CG 3.69Å; L278-N312 HydrophobicContact CD1-CB 4.43Å; L278-N312 PolarHBondContact N-ND2 2.85Å; L278-L316 HydrophobicContact CB-CD1 4.2Å; L278-L316 HydrophobicContact CD2-CD1 3.62Å
279	L	96.3	Very high	93.8	Very high	82 Å²	82	51.6 Å²	51.6	43%	0.429	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-43.5	176.1	-177.3	61.1	0	0	0	111.4	V275 N276 M281 I282 M283	V275-L279 WeakPolarHBondContact O-CB 3.48Å; V275-L279 PolarHBondContact O-N 3.09Å; N276-L279 PolarHBondContact O-N 2.81Å; L279-M281 VanDerWaalsContact C-N 3.35Å; L279-M281 PolarHBondContact O-N 3.02Å; L279-I282 PolarHBondContact O-N 3.45Å; L279-M283 HydrophobicContact CD1-CE 3.9Å; L279-M283 HydrophobicContact CD1-CG 4.49Å; L279-M283 HydrophobicContact CD2-CE 4.06Å; L279-M283 HydrophobicContact CG-CE 3.87Å; L279-M283 HydrophobicContact CG-SD 4.28Å; L279-M283 WeakPolarHBondContact O-CB 3.47Å; L279-M283 WeakPolarHBondContact O-CG 3.29Å; L279-M283 PolarHBondContact O-N 3.32Å
280	A	95.4	Very high	93.7	Very high	29 Å²	29	59.5 Å²	59.5	24%	0.24	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-42.1	176	0	0	0	0	0	111.8	T252 N276 S277 L278 M283 M284	T252-A280 HydrophobicContact CG2-CB 4.26Å; N276-A280 WeakPolarHBondContact O-CB 3.22Å; N276-A280 PolarHBondContact O-N 2.77Å; S277-A280 PolarHBondContact O-N 2.97Å; L278-A280 VanDerWaalsContact C-N 3.32Å; L278-A280 PolarHBondContact O-N 2.98Å; A280-M283 PolarHBondContact O-N 2.86Å; A280-M284 HydrophobicContact CB-CE 4Å; A280-M284 WeakPolarHBondContact O-CB 3.43Å; A280-M284 VanDerWaalsContact O-CG 3.3Å; A280-M284 WeakPolarHBondContact O-CG 3.23Å; A280-M284 PolarHBondContact O-N 3.24Å
281	M	93.8	Very high	93.6	Very high	6 Å²	6	64 Å²	64	3%	0.03	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-43.7	175.7	-67.3	-65.2	80	0	0	112.4	T249 T252 S277 L278 L279 M283 M284 F285 C308	T249-M281 HydrophobicContact CG2-CE 3.74Å; T249-M281 HydrophobicContact CG2-SD 3.89Å; T252-M281 HydrophobicContact CG2-CE 3.51Å; T252-M281 HydrophobicContact CG2-CG 3.95Å; T252-M281 HydrophobicContact CG2-SD 4.05Å; T252-M281 WeakPolarHBondContact OG1-CE 3.47Å; S277-M281 WeakPolarHBondContact O-CG 3.47Å; S277-M281 PolarHBondContact O-N 3.32Å; L278-M281 PolarHBondContact O-N 3.26Å; L279-M281 VanDerWaalsContact C-N 3.35Å; L279-M281 PolarHBondContact O-N 3.02Å; M281-M283 PolarHBondContact O-N 2.92Å; M281-M284 HydrophobicContact CE-CE 3.32Å; M281-M284 HydrophobicContact CE-SD 3.49Å; M281-M284 WeakPolarHBondContact CE-SD 3.49Å; M281-M284 PolarHBondContact O-N 3.37Å; M281-F285 WeakPolarHBondContact O-CB 3.49Å; M281-F285 PolarHBondContact O-N 2.85Å; M281-C308 HydrophobicContact SD-CB 4.46Å
282	I	94.6	Very high	93.4	Very high	74 Å²	74	61.9 Å²	61.9	38%	0.379	32%	0.317	S	S	.	.	H	α-helix	trans	-63.1	-43.2	177.1	-65.4	166.6	0	0	0	110.8	L278 L279 F285 G286 M309	L278-I282 HydrophobicContact CD1-CD1 4.42Å; L278-I282 HydrophobicContact CG-CD1 4.12Å; L278-I282 WeakPolarHBondContact O-CG1 3.48Å; L278-I282 PolarHBondContact O-N 2.87Å; L279-I282 PolarHBondContact O-N 3.45Å; I282-F285 PolarHBondContact O-N 3.05Å; I282-G286 PolarHBondContact O-N 3.42Å; I282-M309 HydrophobicContact CD1-CE 3.66Å; I282-M309 HydrophobicContact CG1-CE 3.43Å; I282-M309 VanDerWaalsContact CG1-CE 3.43Å; I282-M309 HydrophobicContact CG1-SD 3.89Å
283	M	94.9	Very high	93.3	Very high	122 Å²	122	57.6 Å²	57.6	60%	0.601	30%	0.298	S	S	*	.	H	α-helix	trans	-63.9	-44	177.5	-74.1	-179.2	173.6	0	0	112	L279 A280 M281 F285 G286 N287	L279-M283 HydrophobicContact CD1-CE 3.9Å; L279-M283 HydrophobicContact CD1-CG 4.49Å; L279-M283 HydrophobicContact CD2-CE 4.06Å; L279-M283 HydrophobicContact CG-CE 3.87Å; L279-M283 HydrophobicContact CG-SD 4.28Å; L279-M283 WeakPolarHBondContact O-CB 3.47Å; L279-M283 WeakPolarHBondContact O-CG 3.29Å; L279-M283 PolarHBondContact O-N 3.32Å; A280-M283 PolarHBondContact O-N 2.86Å; M281-M283 PolarHBondContact O-N 2.92Å; M283-F285 VanDerWaalsContact C-N 3.32Å; M283-F285 PolarHBondContact O-N 2.89Å; M283-G286 PolarHBondContact O-N 2.83Å; M283-N287 PolarHBondContact O-N 2.78Å
284	M	93.7	Very high	93.1	Very high	44 Å²	44	67.7 Å²	67.7	22%	0.217	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-41.1	175.3	-72.2	-177	-133.4	0	0	111.4	P248 T249 T252 A280 M281 G286 N287 I288 M305	P248-M284 HydrophobicContact CB-CE 4.31Å; P248-M284 HydrophobicContact CB-SD 3.91Å; T249-M284 HydrophobicContact CG2-SD 4.08Å; T252-M284 WeakPolarHBondContact OG1-CE 3.43Å; A280-M284 HydrophobicContact CB-CE 4Å; A280-M284 WeakPolarHBondContact O-CB 3.43Å; A280-M284 VanDerWaalsContact O-CG 3.3Å; A280-M284 WeakPolarHBondContact O-CG 3.23Å; A280-M284 PolarHBondContact O-N 3.24Å; M281-M284 HydrophobicContact CE-CE 3.32Å; M281-M284 HydrophobicContact CE-SD 3.49Å; M281-M284 WeakPolarHBondContact CE-SD 3.49Å; M281-M284 PolarHBondContact O-N 3.37Å; M284-G286 VanDerWaalsContact C-N 3.34Å; M284-G286 PolarHBondContact O-N 2.81Å; M284-N287 PolarHBondContact O-N 2.91Å; M284-I288 PolarHBondContact O-N 2.96Å; M284-M305 HydrophobicContact CB-CE 4.06Å
285	F	93.4	Very high	93.1	Very high	58 Å²	58	69.8 Å²	69.8	25%	0.254	35%	0.345	S	S	.	.	H	α-helix	trans	-60.3	-47.2	176.3	-175	-111.6	0	0	0	111	M281 I282 M283 N287 I288 M289 M305	M281-F285 WeakPolarHBondContact O-CB 3.49Å; M281-F285 PolarHBondContact O-N 2.85Å; I282-F285 PolarHBondContact O-N 3.05Å; M283-F285 VanDerWaalsContact C-N 3.32Å; M283-F285 PolarHBondContact O-N 2.89Å; F285-N287 VanDerWaalsContact C-N 3.31Å; F285-N287 PolarHBondContact O-N 2.74Å; F285-I288 PolarHBondContact O-N 2.98Å; F285-M289 HydrophobicContact CD1-CG 4.4Å; F285-M289 HydrophobicContact CD2-CG 4.22Å; F285-M289 HydrophobicContact CE1-CG 4.11Å; F285-M289 HydrophobicContact CE2-CG 3.9Å; F285-M289 HydrophobicContact CE2-SD 4.21Å; F285-M289 HydrophobicContact CG-CG 4.45Å; F285-M289 HydrophobicContact CZ-CE 4.37Å; F285-M289 HydrophobicContact CZ-CG 3.85Å; F285-M289 HydrophobicContact CZ-SD 4.22Å; F285-M289 WeakPolarHBondContact O-CB 3.46Å; F285-M289 WeakPolarHBondContact O-CG 3.31Å; F285-M289 PolarHBondContact O-N 2.84Å; F285-M305 HydrophobicContact CB-CE 3.6Å; F285-M305 HydrophobicContact CB-SD 4.34Å; F285-M305 HydrophobicContact CD2-CB 3.63Å; F285-M305 HydrophobicContact CD2-CE 3.97Å; F285-M305 HydrophobicContact CD2-CG 4.2Å; F285-M305 HydrophobicContact CD2-SD 3.59Å; F285-M305 VanDerWaalsContact CD2-SD 3.59Å; F285-M305 HydrophobicContact CE2-CB 4.2Å; F285-M305 HydrophobicContact CE2-SD 4.44Å; F285-M305 HydrophobicContact CG-CE 4.3Å; F285-M305 HydrophobicContact CG-SD 4.45Å
286	G	93.2	Very high	92.9	Very high	27 Å²	27	72.6 Å²	72.6	28%	0.278	37%	0.368	S	S	.	.	H	α-helix	trans	-59.9	-37.8	174.9	0	0	0	0	0	113.4	I282 M283 M284 R290	I282-G286 PolarHBondContact O-N 3.42Å; M283-G286 PolarHBondContact O-N 2.83Å; M284-G286 VanDerWaalsContact C-N 3.34Å; M284-G286 PolarHBondContact O-N 2.81Å; G286-R290 WeakPolarHBondContact O-CD 3.29Å; G286-R290 WeakPolarHBondContact O-CG 3.27Å; G286-R290 PolarHBondContact O-N 2.85Å
287	N	92.2	Very high	92.8	Very high	97 Å²	97	72.4 Å²	72.4	52%	0.519	36%	0.362	S	S	.	.	H	α-helix	trans	-67.3	-48.3	178.8	-172.4	19.1	0	0	0	111.8	M283 M284 F285 M289 R290 N291	M283-N287 PolarHBondContact O-N 2.78Å; M284-N287 PolarHBondContact O-N 2.91Å; F285-N287 VanDerWaalsContact C-N 3.31Å; F285-N287 PolarHBondContact O-N 2.74Å; N287-M289 VanDerWaalsContact C-N 3.35Å; N287-M289 PolarHBondContact O-N 2.87Å; N287-R290 PolarHBondContact O-N 2.83Å; N287-N291 PolarHBondContact O-ND2 2.91Å
288	I	91.5	Very high	92.7	Very high	25 Å²	25	76.8 Å²	76.8	13%	0.128	39%	0.388	C	S	.	.	H	α-helix	trans	-63.5	-43	-179.5	-69.2	163	0	0	0	110.8	A245 M284 F285 R290 N291 L292 I301 M305	A245-I288 HydrophobicContact CB-CD1 3.46Å; A245-I288 VanDerWaalsContact CB-CD1 3.46Å; A245-I288 HydrophobicContact CB-CG1 4.43Å; M284-I288 PolarHBondContact O-N 2.96Å; F285-I288 PolarHBondContact O-N 2.98Å; I288-R290 PolarHBondContact O-N 2.82Å; I288-N291 PolarHBondContact O-N 3.05Å; I288-N291 VanDerWaalsContact O-N 3.16Å; I288-L292 HydrophobicContact CG2-CD1 4.06Å; I288-I301 HydrophobicContact CG2-CG1 4.19Å; I288-M305 HydrophobicContact CB-SD 4.36Å; I288-M305 HydrophobicContact CD1-CE 3.74Å; I288-M305 HydrophobicContact CD1-SD 3.5Å; I288-M305 WeakPolarHBondContact CD1-SD 3.41Å
289	M	89.9	Confident	92.7	Very high	71 Å²	71	75.6 Å²	75.6	35%	0.35	38%	0.382	S	S	.	.	H	α-helix	trans	-68.5	-15.9	-179.5	-67.8	-63.8	-76.6	0	0	114.1	F285 N287 D302	F285-M289 HydrophobicContact CD1-CG 4.4Å; F285-M289 HydrophobicContact CD2-CG 4.22Å; F285-M289 HydrophobicContact CE1-CG 4.11Å; F285-M289 HydrophobicContact CE2-CG 3.9Å; F285-M289 HydrophobicContact CE2-SD 4.21Å; F285-M289 HydrophobicContact CG-CG 4.45Å; F285-M289 HydrophobicContact CZ-CE 4.37Å; F285-M289 HydrophobicContact CZ-CG 3.85Å; F285-M289 HydrophobicContact CZ-SD 4.22Å; F285-M289 WeakPolarHBondContact O-CB 3.46Å; F285-M289 WeakPolarHBondContact O-CG 3.31Å; F285-M289 PolarHBondContact O-N 2.84Å; N287-M289 VanDerWaalsContact C-N 3.35Å; N287-M289 PolarHBondContact O-N 2.87Å; M289-D302 VanDerWaalsContact SD-OD1 3.38Å
290	R	90.2	Very high	92.6	Very high	207 Å²	207	71.8 Å²	71.8	78%	0.781	36%	0.362	S	S	*	.	H	α-helix	trans	-81.1	-26.8	174	-75.1	168.7	-171	-163.7	3.1	113	G286 N287 I288 L292	G286-R290 WeakPolarHBondContact O-CD 3.29Å; G286-R290 WeakPolarHBondContact O-CG 3.27Å; G286-R290 PolarHBondContact O-N 2.85Å; N287-R290 PolarHBondContact O-N 2.83Å; I288-R290 PolarHBondContact O-N 2.82Å; R290-L292 VanDerWaalsContact C-N 3.31Å
291	N	88.6	Confident	92.6	Very high	95 Å²	95	70.5 Å²	70.5	51%	0.508	35%	0.351	S	S	.	.	S	Bend	trans	-86.7	-6	-178.4	-62.4	-35.9	0	0	0	112.7	N287 I288	N287-N291 PolarHBondContact O-ND2 2.91Å; I288-N291 PolarHBondContact O-N 3.05Å; I288-N291 VanDerWaalsContact O-N 3.16Å
292	L	89.9	Confident	92.7	Very high	13 Å²	13	71 Å²	71	7%	0.068	35%	0.354	C	S	.	.	S	Bend	trans	-114.8	149.3	-177.9	-63.6	169.8	0	0	0	110.7	F165 I288 R290	F165-L292 HydrophobicContact CD1-CD1 3.94Å; F165-L292 HydrophobicContact CD2-CD2 4.14Å; F165-L292 HydrophobicContact CE1-CD1 3.52Å; F165-L292 HydrophobicContact CE1-CD2 4.09Å; F165-L292 HydrophobicContact CE1-CG 4.39Å; F165-L292 HydrophobicContact CE2-CD1 4.47Å; F165-L292 HydrophobicContact CE2-CD2 3.52Å; F165-L292 HydrophobicContact CZ-CD1 3.8Å; F165-L292 HydrophobicContact CZ-CD2 3.49Å; F165-L292 VanDerWaalsContact CZ-CD2 3.49Å; F165-L292 HydrophobicContact CZ-CG 4.18Å; I288-L292 HydrophobicContact CG2-CD1 4.06Å; R290-L292 VanDerWaalsContact C-N 3.31Å
293	P	91.6	Very high	92.7	Very high	24 Å²	24	69.8 Å²	69.8	16%	0.156	35%	0.35	C	S	.	.			trans	-61.2	152.2	172	28.8	-37.1	0	0	0	110.8	E71 L72 L162 V295	E71-P293 HydrophobicContact CB-CG 4.18Å; E71-P293 WeakPolarHBondContact O-CG 3.45Å; L72-P293 HydrophobicContact CD2-CB 4.44Å; L162-P293 HydrophobicContact CD1-CG 3.55Å; P293-V295 PolarHBondContact O-N 3.01Å
294	R	91.5	Very high	92.8	Very high	253 Å²	253	64 Å²	64	96%	0.955	32%	0.321	S	S	*	.			trans	-73.4	110.6	174.6	-64.8	-178.3	-177.6	178.8	1.1	109.2
295	V	91.6	Very high	92.8	Very high	44 Å²	44	62.3 Å²	62.3	27%	0.267	31%	0.313	S	S	.	.			trans	-114.3	148.7	172.2	-64.2	0	0	0	0	109.8	L162 P293 Y297 K299	L162-V295 HydrophobicContact CD1-CG1 4.21Å; P293-V295 PolarHBondContact O-N 3.01Å; V295-Y297 HydrophobicContact CB-CD1 4.18Å; V295-Y297 HydrophobicContact CB-CE1 3.8Å; V295-Y297 HydrophobicContact CB-CE2 4.22Å; V295-Y297 HydrophobicContact CG1-CE1 4.04Å; V295-Y297 HydrophobicContact CG2-CD2 4.32Å; V295-Y297 HydrophobicContact CG2-CE1 4.45Å; V295-Y297 HydrophobicContact CG2-CE2 3.98Å; V295-K299 HydrophobicContact CG2-CD 3.84Å; V295-K299 HydrophobicContact CG2-CG 4.06Å
296	S	92	Very high	92.9	Very high	130 Å²	130	63.9 Å²	63.9	91%	0.909	32%	0.323	S	S	*	.	S	Bend	trans	-88.8	-15.9	-177	53.5	0	0	0	0	113.9
297	Y	94.5	Very high	93	Very high	86 Å²	86	63.5 Å²	63.5	34%	0.337	32%	0.317	S	S	.	.	S	Bend	trans	-90.4	163.7	177.4	56.5	-100.1	0	0	0	111.9	L162 V295 K299	L162-Y297 HydrophobicContact CB-CE2 4.18Å; L162-Y297 WeakPolarHBondContact CB-OH 3.43Å; L162-Y297 PolarHBondContact N-OH 2.92Å; V295-Y297 HydrophobicContact CB-CD1 4.18Å; V295-Y297 HydrophobicContact CB-CE1 3.8Å; V295-Y297 HydrophobicContact CB-CE2 4.22Å; V295-Y297 HydrophobicContact CG1-CE1 4.04Å; V295-Y297 HydrophobicContact CG2-CD2 4.32Å; V295-Y297 HydrophobicContact CG2-CE1 4.45Å; V295-Y297 HydrophobicContact CG2-CE2 3.98Å; Y297-K299 HydrophobicContact CE2-CG 4.3Å
298	V	93.4	Very high	93.2	Very high	98 Å²	98	58.9 Å²	58.9	59%	0.594	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-81.6	128.4	-179	-180	0	0	0	0	110.1	D302 V303	V298-D302 HydrophobicContact CG1-CB 4.25Å; V298-V303 HydrophobicContact CG1-CG2 3.53Å
299	K	94.5	Very high	93.4	Very high	3 Å²	3	60.6 Å²	60.6	1%	0.013	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-95	156.4	174.9	-55.9	178.2	-61.7	-54.4	0	111	L162 S163 V295 Y297 I301 D302 V303	L162-K299 HydrophobicContact CB-CD 4.13Å; L162-K299 HydrophobicContact CB-CG 4.42Å; L162-K299 WeakPolarHBondContact O-CG 3.39Å; S163-K299 CarbonylContact O-C 3.5Å; S163-K299 WeakPolarHBondContact O-CA 3.24Å; V295-K299 HydrophobicContact CG2-CD 3.84Å; V295-K299 HydrophobicContact CG2-CG 4.06Å; Y297-K299 HydrophobicContact CE2-CG 4.3Å; K299-I301 HydrophobicContact CB-CG2 4.04Å; K299-I301 PolarHBondContact O-N 2.89Å; K299-D302 WeakPolarHBondContact CB-OD2 3.35Å; K299-D302 WeakPolarHBondContact CE-OD1 3.47Å; K299-D302 PolarHBondContact N-OD2 2.94Å; K299-D302 IonicContact NZ-OD1 3.6Å; K299-D302 PolarHBondContact NZ-OD1 3.22Å; K299-D302 IonicContact NZ-OD2 3.19Å; K299-D302 PolarHBondContact NZ-OD2 2.99Å; K299-D302 WeakPolarHBondContact O-CB 3.35Å; K299-D302 PolarHBondContact O-N 2.86Å; K299-V303 PolarHBondContact O-N 2.89Å
300	A	95.3	Very high	93.6	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.008	31%	0.308	C	S	.	.	H	α-helix	trans	-55.7	-38.8	175.4	0	0	0	0	0	112.7	S163 F165 D302 V303 W304 Y413 Y417	S163-A300 PolarHBondContact O-N 3.03Å; F165-A300 WeakPolarHBondContact O-CB 3.38Å; A300-D302 VanDerWaalsContact C-N 3.33Å; A300-D302 PolarHBondContact O-N 3.33Å; A300-V303 PolarHBondContact O-N 3.42Å; A300-W304 PolarHBondContact O-N 3.34Å; A300-W304 VanDerWaalsContact O-N 3.14Å; A300-Y413 VanDerWaalsContact O-CE2 3.27Å; A300-Y413 WeakPolarHBondContact O-CE2 3.41Å; A300-Y413 PolarHBondContact O-OH 2.85Å; A300-Y417 HydrophobicContact CB-CD1 3.4Å; A300-Y417 HydrophobicContact CB-CD2 3.99Å; A300-Y417 HydrophobicContact CB-CE1 3.25Å; A300-Y417 HydrophobicContact CB-CE2 3.87Å; A300-Y417 HydrophobicContact CB-CG 3.78Å; A300-Y417 VanDerWaalsContact CB-CZ 3.49Å
301	I	94.9	Very high	93.8	Very high	3 Å²	3	53 Å²	53	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-33.6	174.1	-165	62	0	0	0	112.7	F165 A245 Y246 I288 K299 W304 M305	F165-I301 HydrophobicContact CD1-CB 4.05Å; F165-I301 HydrophobicContact CD1-CG2 3.64Å; F165-I301 HydrophobicContact CE1-CB 4.37Å; F165-I301 HydrophobicContact CE1-CG2 4.05Å; F165-I301 PolarHBondContact O-N 3.22Å; A245-I301 HydrophobicContact CB-CD1 4.3Å; Y246-I301 HydrophobicContact CE2-CD1 3.85Å; I288-I301 HydrophobicContact CG2-CG1 4.19Å; K299-I301 HydrophobicContact CB-CG2 4.04Å; K299-I301 PolarHBondContact O-N 2.89Å; I301-W304 WeakPolarHBondContact O-CB 3.3Å; I301-W304 PolarHBondContact O-N 2.92Å; I301-M305 HydrophobicContact CD1-CG 4.32Å; I301-M305 HydrophobicContact CD1-SD 4.42Å; I301-M305 HydrophobicContact CG1-CG 4.25Å; I301-M305 HydrophobicContact CG1-SD 4.01Å; I301-M305 WeakPolarHBondContact O-CB 3.45Å; I301-M305 WeakPolarHBondContact O-CG 3.2Å; I301-M305 PolarHBondContact O-N 3.43Å
302	D	94.9	Very high	94.1	Very high	16 Å²	16	48.5 Å²	48.5	9%	0.086	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-43	178.5	-57.7	-30.4	0	0	0	110.3	M289 V298 K299 A300 W304 M305 L306	M289-D302 VanDerWaalsContact SD-OD1 3.38Å; V298-D302 HydrophobicContact CG1-CB 4.25Å; K299-D302 WeakPolarHBondContact CB-OD2 3.35Å; K299-D302 WeakPolarHBondContact CE-OD1 3.47Å; K299-D302 PolarHBondContact N-OD2 2.94Å; K299-D302 IonicContact NZ-OD1 3.6Å; K299-D302 PolarHBondContact NZ-OD1 3.22Å; K299-D302 IonicContact NZ-OD2 3.19Å; K299-D302 PolarHBondContact NZ-OD2 2.99Å; K299-D302 WeakPolarHBondContact O-CB 3.35Å; K299-D302 PolarHBondContact O-N 2.86Å; A300-D302 VanDerWaalsContact C-N 3.33Å; A300-D302 PolarHBondContact O-N 3.33Å; D302-W304 VanDerWaalsContact C-N 3.32Å; D302-W304 PolarHBondContact O-N 3.49Å; D302-M305 PolarHBondContact O-N 3.05Å; D302-L306 VanDerWaalsContact O-CB 3.27Å; D302-L306 WeakPolarHBondContact O-CB 3.27Å; D302-L306 VanDerWaalsContact O-CG 3.24Å; D302-L306 WeakPolarHBondContact O-CG 3.39Å; D302-L306 PolarHBondContact O-N 3.48Å
303	V	95.6	Very high	94.3	Very high	49 Å²	49	53 Å²	53	30%	0.297	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-45.4	175.4	178.8	0	0	0	0	110.7	V298 K299 A300 A307 Y413 Y417	V298-V303 HydrophobicContact CG1-CG2 3.53Å; K299-V303 PolarHBondContact O-N 2.89Å; A300-V303 PolarHBondContact O-N 3.42Å; V303-A307 WeakPolarHBondContact O-CB 3.28Å; V303-A307 PolarHBondContact O-N 3.49Å; V303-Y413 HydrophobicContact CB-CE2 4.49Å; V303-Y413 HydrophobicContact CG1-CD2 4.49Å; V303-Y417 WeakPolarHBondContact CG2-OH 3.42Å
304	W	96.1	Very high	94.4	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.6	-54.7	175.7	176.4	-100.9	0	0	0	111.6	Y246 T249 Y250 A300 I301 D302 A307 C308 F406 F409 N410 Y413	Y246-W304 AromaticContact CD1-CD2 3.76Å; Y246-W304 HydrophobicContact CD1-CD2 3.76Å; Y246-W304 AromaticContact CD1-CE2 3.56Å; Y246-W304 HydrophobicContact CD1-CE3 4.26Å; Y246-W304 HydrophobicContact CD1-CG 4.13Å; Y246-W304 HydrophobicContact CD1-CH2 4.46Å; Y246-W304 AromaticContact CD1-CZ2 3.95Å; Y246-W304 HydrophobicContact CD1-CZ2 3.95Å; Y246-W304 AromaticContact CD1-NE1 3.76Å; Y246-W304 HydrophobicContact CE1-CB 4.34Å; Y246-W304 AromaticContact CE1-CD2 3.66Å; Y246-W304 HydrophobicContact CE1-CD2 3.66Å; Y246-W304 AromaticContact CE1-CE2 3.98Å; Y246-W304 HydrophobicContact CE1-CE3 4.05Å; Y246-W304 AromaticContact CE1-CG 3.76Å; Y246-W304 HydrophobicContact CE1-CG 3.76Å; T249-W304 PolarHBondContact OG1-NE1 3.32Å; Y250-W304 HydrophobicContact CD1-CH2 4.31Å; Y250-W304 HydrophobicContact CD1-CZ2 4.4Å; Y250-W304 HydrophobicContact CD2-CH2 4.49Å; Y250-W304 HydrophobicContact CD2-CZ2 4.15Å; Y250-W304 AromaticContact CE1-CH2 3.59Å; Y250-W304 HydrophobicContact CE1-CH2 3.59Å; Y250-W304 HydrophobicContact CE1-CZ2 4.08Å; Y250-W304 AromaticContact CE2-CH2 3.8Å; Y250-W304 HydrophobicContact CE2-CH2 3.8Å; Y250-W304 AromaticContact CE2-CZ2 3.79Å; Y250-W304 HydrophobicContact CE2-CZ2 3.79Å; Y250-W304 HydrophobicContact CG-CZ2 4.44Å; Y250-W304 AromaticContact CZ-CH2 3.31Å; Y250-W304 AromaticContact CZ-CZ2 3.78Å; Y250-W304 WeakPolarHBondContact OH-CH2 3.35Å; A300-W304 PolarHBondContact O-N 3.34Å; A300-W304 VanDerWaalsContact O-N 3.14Å; I301-W304 WeakPolarHBondContact O-CB 3.3Å; I301-W304 PolarHBondContact O-N 2.92Å; D302-W304 VanDerWaalsContact C-N 3.32Å; D302-W304 PolarHBondContact O-N 3.49Å; W304-A307 PolarHBondContact O-N 3.46Å; W304-C308 WeakPolarHBondContact O-CB 3.43Å; W304-C308 PolarHBondContact O-N 2.96Å; W304-C308 PolarHBondContact O-SG 3.38Å; W304-F406 HydrophobicContact CH2-CE2 4.49Å; W304-F406 AromaticContact CH2-CZ 3.94Å; W304-F406 HydrophobicContact CH2-CZ 3.94Å; W304-F406 HydrophobicContact CZ2-CZ 4.39Å; W304-F409 AromaticContact CE3-CE1 3.74Å; W304-F409 HydrophobicContact CE3-CE1 3.74Å; W304-F409 HydrophobicContact CE3-CZ 4.26Å; W304-F409 HydrophobicContact CZ3-CD1 4.44Å; W304-F409 AromaticContact CZ3-CE1 3.77Å; W304-F409 HydrophobicContact CZ3-CE1 3.77Å; W304-N410 WeakPolarHBondContact CH2-OD1 3.25Å; W304-N410 WeakPolarHBondContact CZ3-OD1 3.32Å; W304-Y413 HydrophobicContact CB-CE2 3.83Å; W304-Y413 AromaticContact CE3-CD1 3.84Å; W304-Y413 HydrophobicContact CE3-CD1 3.84Å; W304-Y413 HydrophobicContact CE3-CD2 4.29Å; W304-Y413 AromaticContact CE3-CE1 3.89Å; W304-Y413 HydrophobicContact CE3-CE1 3.89Å; W304-Y413 HydrophobicContact CE3-CE2 4.32Å; W304-Y413 HydrophobicContact CE3-CG 4.06Å; W304-Y413 HydrophobicContact CZ3-CD1 4.21Å
305	M	94.8	Very high	94.5	Very high	9 Å²	9	42 Å²	42	4%	0.044	24%	0.236	C	C	.	.	H	α-helix	trans	-69.4	-39.8	-172.6	-65	-169	78.9	0	0	112.6	M284 F285 I288 I301 D302 C308 M309	M284-M305 HydrophobicContact CB-CE 4.06Å; F285-M305 HydrophobicContact CB-CE 3.6Å; F285-M305 HydrophobicContact CB-SD 4.34Å; F285-M305 HydrophobicContact CD2-CB 3.63Å; F285-M305 HydrophobicContact CD2-CE 3.97Å; F285-M305 HydrophobicContact CD2-CG 4.2Å; F285-M305 HydrophobicContact CD2-SD 3.59Å; F285-M305 VanDerWaalsContact CD2-SD 3.59Å; F285-M305 HydrophobicContact CE2-CB 4.2Å; F285-M305 HydrophobicContact CE2-SD 4.44Å; F285-M305 HydrophobicContact CG-CE 4.3Å; F285-M305 HydrophobicContact CG-SD 4.45Å; I288-M305 HydrophobicContact CB-SD 4.36Å; I288-M305 HydrophobicContact CD1-CE 3.74Å; I288-M305 HydrophobicContact CD1-SD 3.5Å; I288-M305 WeakPolarHBondContact CD1-SD 3.41Å; I301-M305 HydrophobicContact CD1-CG 4.32Å; I301-M305 HydrophobicContact CD1-SD 4.42Å; I301-M305 HydrophobicContact CG1-CG 4.25Å; I301-M305 HydrophobicContact CG1-SD 4.01Å; I301-M305 WeakPolarHBondContact O-CB 3.45Å; I301-M305 WeakPolarHBondContact O-CG 3.2Å; I301-M305 PolarHBondContact O-N 3.43Å; D302-M305 PolarHBondContact O-N 3.05Å; M305-C308 PolarHBondContact O-N 3.35Å; M305-M309 VanDerWaalsContact O-CB 3.27Å; M305-M309 WeakPolarHBondContact O-CB 3.3Å; M305-M309 PolarHBondContact O-N 3.21Å
306	L	95	Very high	94.6	Very high	91 Å²	91	41.4 Å²	41.4	48%	0.476	23%	0.231	S	C	.	.	H	α-helix	trans	-67.3	-39.6	176.1	-69.8	172.9	0	0	0	111.9	D302 M309 T310	D302-L306 VanDerWaalsContact O-CB 3.27Å; D302-L306 WeakPolarHBondContact O-CB 3.27Å; D302-L306 VanDerWaalsContact O-CG 3.24Å; D302-L306 WeakPolarHBondContact O-CG 3.39Å; D302-L306 PolarHBondContact O-N 3.48Å; L306-M309 PolarHBondContact O-N 3.34Å; L306-T310 WeakPolarHBondContact O-CB 3.49Å; L306-T310 PolarHBondContact O-N 2.95Å; L306-T310 PolarHBondContact O-OG1 2.93Å
307	A	96	Very high	94.7	Very high	18 Å²	18	39.2 Å²	39.2	15%	0.149	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-48.2	174.5	0	0	0	0	0	111.2	V303 W304 M309 T310 F311 F409	V303-A307 WeakPolarHBondContact O-CB 3.28Å; V303-A307 PolarHBondContact O-N 3.49Å; W304-A307 PolarHBondContact O-N 3.46Å; A307-M309 VanDerWaalsContact C-N 3.33Å; A307-M309 PolarHBondContact O-N 2.72Å; A307-T310 WeakPolarHBondContact O-CB 3.28Å; A307-T310 PolarHBondContact O-N 2.92Å; A307-T310 VanDerWaalsContact O-N 3.12Å; A307-F311 VanDerWaalsContact O-CD2 3.23Å; A307-F311 WeakPolarHBondContact O-CD2 3.26Å; A307-F311 PolarHBondContact O-N 2.83Å; A307-F409 HydrophobicContact CB-CD1 4.47Å; A307-F409 HydrophobicContact CB-CD2 4.2Å; A307-F409 HydrophobicContact CB-CE1 3.78Å; A307-F409 HydrophobicContact CB-CE2 3.47Å; A307-F409 VanDerWaalsContact CB-CE2 3.47Å; A307-F409 HydrophobicContact CB-CZ 3.23Å
308	C	95.7	Very high	94.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-43.7	176.7	-67.6	0	0	0	0	112.2	I253 M281 W304 M305 T310 F311 N312	I253-C308 HydrophobicContact CD1-CB 3.64Å; I253-C308 WeakPolarHBondContact CD1-SG 3.5Å; I253-C308 HydrophobicContact CG1-CB 4.42Å; M281-C308 HydrophobicContact SD-CB 4.46Å; W304-C308 WeakPolarHBondContact O-CB 3.43Å; W304-C308 PolarHBondContact O-N 2.96Å; W304-C308 PolarHBondContact O-SG 3.38Å; M305-C308 PolarHBondContact O-N 3.35Å; C308-T310 VanDerWaalsContact C-N 3.32Å; C308-T310 PolarHBondContact O-N 3.45Å; C308-F311 PolarHBondContact O-N 2.81Å; C308-N312 PolarHBondContact O-N 2.92Å
309	M	94.7	Very high	94.5	Very high	61 Å²	61	31.6 Å²	31.6	30%	0.3	17%	0.17	S	C	.	.	H	α-helix	trans	-63.5	-38.4	175.8	-174.4	172.8	172	0	0	111.8	L278 I282 M305 L306 A307 N312 F313	L278-M309 HydrophobicContact CD1-CE 4.15Å; L278-M309 HydrophobicContact CD1-CG 3.69Å; I282-M309 HydrophobicContact CD1-CE 3.66Å; I282-M309 HydrophobicContact CG1-CE 3.43Å; I282-M309 VanDerWaalsContact CG1-CE 3.43Å; I282-M309 HydrophobicContact CG1-SD 3.89Å; M305-M309 VanDerWaalsContact O-CB 3.27Å; M305-M309 WeakPolarHBondContact O-CB 3.3Å; M305-M309 PolarHBondContact O-N 3.21Å; L306-M309 PolarHBondContact O-N 3.34Å; A307-M309 VanDerWaalsContact C-N 3.33Å; A307-M309 PolarHBondContact O-N 2.72Å; M309-N312 PolarHBondContact O-N 2.88Å; M309-F313 WeakPolarHBondContact O-CB 3.26Å; M309-F313 PolarHBondContact O-N 3.46Å
310	T	94.8	Very high	94.4	Very high	82 Å²	82	34.4 Å²	34.4	50%	0.503	19%	0.194	S	C	.	.	H	α-helix	trans	-66.2	-44.8	176	-57.7	0	0	0	0	111.6	L306 A307 C308 N312 F313 C314	L306-T310 WeakPolarHBondContact O-CB 3.49Å; L306-T310 PolarHBondContact O-N 2.95Å; L306-T310 PolarHBondContact O-OG1 2.93Å; A307-T310 WeakPolarHBondContact O-CB 3.28Å; A307-T310 PolarHBondContact O-N 2.92Å; A307-T310 VanDerWaalsContact O-N 3.12Å; C308-T310 VanDerWaalsContact C-N 3.32Å; C308-T310 PolarHBondContact O-N 3.45Å; T310-N312 VanDerWaalsContact C-N 3.29Å; T310-N312 PolarHBondContact O-N 2.86Å; T310-F313 PolarHBondContact O-N 3.49Å; T310-C314 PolarHBondContact O-N 2.89Å; T310-C314 PolarHBondContact O-SG 2.86Å
311	F	95	Very high	94.2	Very high	37 Å²	37	38.6 Å²	38.6	16%	0.162	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-41.7	174.2	-83.9	-72.2	0	0	0	112.1	A307 C308 C314 S315 F402 L405 F406 F409	A307-F311 VanDerWaalsContact O-CD2 3.23Å; A307-F311 WeakPolarHBondContact O-CD2 3.26Å; A307-F311 PolarHBondContact O-N 2.83Å; C308-F311 PolarHBondContact O-N 2.81Å; F311-C314 PolarHBondContact O-N 3.49Å; F311-S315 PolarHBondContact O-N 2.81Å; F311-S315 VanDerWaalsContact O-N 3.09Å; F311-F402 HydrophobicContact CD1-CD1 4.36Å; F311-L405 HydrophobicContact CE1-CB 3.82Å; F311-L405 HydrophobicContact CZ-CB 4.17Å; F311-F406 AromaticContact CD2-CD2 3.79Å; F311-F406 HydrophobicContact CD2-CD2 3.79Å; F311-F406 HydrophobicContact CD2-CE2 4.47Å; F311-F406 HydrophobicContact CE1-CB 4.37Å; F311-F406 AromaticContact CE2-CD2 3.88Å; F311-F406 HydrophobicContact CE2-CD2 3.88Å; F311-F406 HydrophobicContact CG-CD2 4.31Å; F311-F406 HydrophobicContact CZ-CB 4.33Å; F311-F406 HydrophobicContact CZ-CD2 4.44Å; F311-F409 HydrophobicContact CE2-CB 4.15Å; F311-F409 HydrophobicContact CE2-CD1 4.37Å; F311-F409 HydrophobicContact CE2-CG 4.2Å; F311-F409 HydrophobicContact CZ-CB 4.34Å
312	N	93.7	Very high	93.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.6	-42.9	177	-159.3	-27.2	0	0	0	111.7	S277 L278 C308 M309 T310 C314 S315 L316	S277-N312 WeakPolarHBondContact CB-ND2 3.38Å; S277-N312 PolarHBondContact O-ND2 3.12Å; S277-N312 PolarHBondContact OG-ND2 2.87Å; S277-N312 PolarHBondContact OG-OD1 3.14Å; L278-N312 HydrophobicContact CD1-CB 4.43Å; L278-N312 PolarHBondContact N-ND2 2.85Å; C308-N312 PolarHBondContact O-N 2.92Å; M309-N312 PolarHBondContact O-N 2.88Å; T310-N312 VanDerWaalsContact C-N 3.29Å; T310-N312 PolarHBondContact O-N 2.86Å; N312-C314 VanDerWaalsContact C-N 3.33Å; N312-C314 PolarHBondContact O-N 2.49Å; N312-S315 WeakPolarHBondContact O-CB 3.3Å; N312-S315 PolarHBondContact O-N 2.84Å; N312-S315 PolarHBondContact O-OG 2.92Å; N312-S315 PolarHBondContact OD1-OG 3.4Å; N312-L316 PolarHBondContact O-N 2.88Å
313	F	94.7	Very high	93.6	Very high	107 Å²	107	38.8 Å²	38.8	47%	0.469	22%	0.221	S	C	.	.	H	α-helix	trans	-60.4	-40.8	173.4	-178.5	-103.2	0	0	0	112.6	M309 T310 S315 L316 L317	M309-F313 WeakPolarHBondContact O-CB 3.26Å; M309-F313 PolarHBondContact O-N 3.46Å; T310-F313 PolarHBondContact O-N 3.49Å; F313-S315 VanDerWaalsContact C-N 3.27Å; F313-S315 PolarHBondContact O-N 2.82Å; F313-L316 WeakPolarHBondContact O-CB 3.19Å; F313-L316 PolarHBondContact O-N 3Å; F313-L317 HydrophobicContact CD1-CD1 3.97Å; F313-L317 HydrophobicContact CD1-CG 4.23Å; F313-L317 HydrophobicContact CE1-CD1 3.61Å; F313-L317 HydrophobicContact CE1-CD2 4.19Å; F313-L317 HydrophobicContact CE1-CG 3.85Å; F313-L317 HydrophobicContact CZ-CD1 4.4Å; F313-L317 HydrophobicContact CZ-CD2 4.17Å; F313-L317 HydrophobicContact CZ-CG 4.21Å; F313-L317 PolarHBondContact O-N 3.16Å
314	C	94.4	Very high	93.2	Very high	47 Å²	47	44.3 Å²	44.3	32%	0.318	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-33.7	173.5	-70.5	0	0	0	0	112.5	T310 F311 N312 L316 L317 E318 F402	T310-C314 PolarHBondContact O-N 2.89Å; T310-C314 PolarHBondContact O-SG 2.86Å; F311-C314 PolarHBondContact O-N 3.49Å; N312-C314 VanDerWaalsContact C-N 3.33Å; N312-C314 PolarHBondContact O-N 2.49Å; C314-L316 VanDerWaalsContact C-N 3.3Å; C314-L316 PolarHBondContact O-N 2.58Å; C314-L317 PolarHBondContact O-N 3.36Å; C314-E318 WeakPolarHBondContact O-CB 3.1Å; C314-E318 PolarHBondContact O-N 2.84Å; C314-F402 HydrophobicContact CB-CE1 3.65Å; C314-F402 HydrophobicContact CB-CZ 3.93Å
315	S	92.3	Very high	92.7	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.007	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-32.8	173	80.5	0	0	0	0	112.5	F311 N312 F313 L319	F311-S315 PolarHBondContact O-N 2.81Å; F311-S315 VanDerWaalsContact O-N 3.09Å; N312-S315 WeakPolarHBondContact O-CB 3.3Å; N312-S315 PolarHBondContact O-N 2.84Å; N312-S315 PolarHBondContact O-OG 2.92Å; N312-S315 PolarHBondContact OD1-OG 3.4Å; F313-S315 VanDerWaalsContact C-N 3.27Å; F313-S315 PolarHBondContact O-N 2.82Å; S315-L319 PolarHBondContact O-N 3.49Å; S315-L319 VanDerWaalsContact O-N 3.1Å
316	L	94	Very high	92	Very high	31 Å²	31	46.7 Å²	46.7	16%	0.162	25%	0.251	C	S	.	.	H	α-helix	trans	-74.2	-34.9	173.5	-72.4	172.3	0	0	0	112.6	V275 L278 N312 F313 C314 E318 L319 A320	V275-L316 HydrophobicContact CG2-CD2 4.15Å; L278-L316 HydrophobicContact CB-CD1 4.2Å; L278-L316 HydrophobicContact CD2-CD1 3.62Å; N312-L316 PolarHBondContact O-N 2.88Å; F313-L316 WeakPolarHBondContact O-CB 3.19Å; F313-L316 PolarHBondContact O-N 3Å; C314-L316 VanDerWaalsContact C-N 3.3Å; C314-L316 PolarHBondContact O-N 2.58Å; L316-E318 VanDerWaalsContact C-N 3.31Å; L316-L319 HydrophobicContact CD2-CD2 4.21Å; L316-L319 WeakPolarHBondContact O-CB 3.34Å; L316-L319 PolarHBondContact O-N 3.33Å; L316-A320 PolarHBondContact O-N 3.06Å
317	L	94	Very high	91.4	Very high	84 Å²	84	50.1 Å²	50.1	44%	0.44	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-41.3	172.2	-74	176.5	0	0	0	111.2	F313 C314 A320 I321	F313-L317 HydrophobicContact CD1-CD1 3.97Å; F313-L317 HydrophobicContact CD1-CG 4.23Å; F313-L317 HydrophobicContact CE1-CD1 3.61Å; F313-L317 HydrophobicContact CE1-CD2 4.19Å; F313-L317 HydrophobicContact CE1-CG 3.85Å; F313-L317 HydrophobicContact CZ-CD1 4.4Å; F313-L317 HydrophobicContact CZ-CD2 4.17Å; F313-L317 HydrophobicContact CZ-CG 4.21Å; F313-L317 PolarHBondContact O-N 3.16Å; C314-L317 PolarHBondContact O-N 3.36Å; L317-A320 WeakPolarHBondContact O-CB 3.28Å; L317-A320 PolarHBondContact O-N 2.86Å; L317-I321 VanDerWaalsContact O-CG1 3.32Å; L317-I321 WeakPolarHBondContact O-CG1 3.3Å; L317-I321 PolarHBondContact O-N 2.77Å
318	E	93.2	Very high	90.2	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-59.7	-47.1	174.6	-172.3	-87.6	-179.8	0	0	111.6	R270 C314 L316 A320 I321 I322 I394 D395 S398	R270-E318 IonicContact NH2-OE1 3.56Å; R270-E318 PolarHBondContact NH2-OE1 3.35Å; R270-E318 IonicContact NH2-OE2 3.85Å; R270-E318 PolarHBondContact NH2-OE2 2.89Å; C314-E318 WeakPolarHBondContact O-CB 3.1Å; C314-E318 PolarHBondContact O-N 2.84Å; L316-E318 VanDerWaalsContact C-N 3.31Å; E318-A320 VanDerWaalsContact C-N 3.3Å; E318-A320 PolarHBondContact O-N 2.76Å; E318-I321 WeakPolarHBondContact O-CB 3.25Å; E318-I321 PolarHBondContact O-N 3.38Å; E318-I321 VanDerWaalsContact O-N 3.16Å; E318-I322 VanDerWaalsContact CD-CD1 3.49Å; E318-I322 PolarHBondContact O-N 2.8Å; E318-I322 WeakPolarHBondContact OE1-CD1 3.14Å; E318-I394 HydrophobicContact CG-CG2 4.1Å; E318-D395 VanDerWaalsContact OE1-OD1 3.14Å; E318-S398 WeakPolarHBondContact CG-OG 3.49Å; E318-S398 PolarHBondContact OE1-OG 2.78Å
319	L	91.4	Very high	88.9	Confident	13 Å²	13	56.2 Å²	56.2	7%	0.068	29%	0.293	C	S	.	.	H	α-helix	trans	-57.8	-41.4	172.7	172.1	62.5	0	0	0	112.3	I267 R270 S315 L316 I321 I322 G323	I267-L319 HydrophobicContact CG2-CD1 4.49Å; R270-L319 HydrophobicContact CB-CD1 3.56Å; R270-L319 HydrophobicContact CB-CD2 4.15Å; R270-L319 HydrophobicContact CB-CG 4.46Å; R270-L319 HydrophobicContact CG-CD1 4.42Å; S315-L319 PolarHBondContact O-N 3.49Å; S315-L319 VanDerWaalsContact O-N 3.1Å; L316-L319 HydrophobicContact CD2-CD2 4.21Å; L316-L319 WeakPolarHBondContact O-CB 3.34Å; L316-L319 PolarHBondContact O-N 3.33Å; L319-I321 VanDerWaalsContact C-N 3.34Å; L319-I322 PolarHBondContact O-N 2.85Å; L319-G323 PolarHBondContact O-N 3.33Å
320	A	91.9	Very high	87.1	Confident	62 Å²	62	57 Å²	57	51%	0.512	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-39.2	178.2	0	0	0	0	0	111.9	L316 L317 E318 G323 Y324	L316-A320 PolarHBondContact O-N 3.06Å; L317-A320 WeakPolarHBondContact O-CB 3.28Å; L317-A320 PolarHBondContact O-N 2.86Å; E318-A320 VanDerWaalsContact C-N 3.3Å; E318-A320 PolarHBondContact O-N 2.76Å; A320-G323 PolarHBondContact O-N 3.45Å; A320-Y324 WeakPolarHBondContact O-CB 3.49Å; A320-Y324 PolarHBondContact O-N 3.24Å
321	I	90.8	Very high	85.3	Confident	90 Å²	90	58 Å²	58	46%	0.462	31%	0.313	S	S	.	.	H	α-helix	trans	-64.1	-46.4	175.1	-66.6	163.5	0	0	0	110.3	L317 E318 L319 G323 Y324 L325 I394	L317-I321 VanDerWaalsContact O-CG1 3.32Å; L317-I321 WeakPolarHBondContact O-CG1 3.3Å; L317-I321 PolarHBondContact O-N 2.77Å; E318-I321 WeakPolarHBondContact O-CB 3.25Å; E318-I321 PolarHBondContact O-N 3.38Å; E318-I321 VanDerWaalsContact O-N 3.16Å; L319-I321 VanDerWaalsContact C-N 3.34Å; I321-G323 PolarHBondContact O-N 2.99Å; I321-Y324 WeakPolarHBondContact O-CB 3.18Å; I321-Y324 PolarHBondContact O-N 3.25Å; I321-L325 HydrophobicContact CG2-CD1 4.04Å; I321-L325 HydrophobicContact CG2-CG 4.44Å; I321-L325 WeakPolarHBondContact O-CG 3.47Å; I321-L325 PolarHBondContact O-N 3.1Å; I321-I394 HydrophobicContact CG2-CD1 4.25Å
322	I	89	Confident	83.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-41.2	177.6	-74.5	171.7	0	0	0	111.6	P264 E318 L319 Y324 L325 T326 A391 I394 D395	P264-I322 HydrophobicContact CB-CG2 4.04Å; E318-I322 VanDerWaalsContact CD-CD1 3.49Å; E318-I322 PolarHBondContact O-N 2.8Å; E318-I322 WeakPolarHBondContact OE1-CD1 3.14Å; L319-I322 PolarHBondContact O-N 2.85Å; I322-Y324 VanDerWaalsContact C-N 3.28Å; I322-Y324 PolarHBondContact O-N 2.71Å; I322-L325 PolarHBondContact O-N 3.15Å; I322-T326 HydrophobicContact CG2-CG2 4.27Å; I322-T326 WeakPolarHBondContact O-CB 3.22Å; I322-T326 WeakPolarHBondContact O-CG2 3.38Å; I322-T326 PolarHBondContact O-N 3.21Å; I322-T326 PolarHBondContact O-OG1 3.2Å; I322-A391 HydrophobicContact CG1-CB 4.33Å; I322-A391 HydrophobicContact CG2-CB 4.25Å; I322-I394 HydrophobicContact CD1-CG2 4.25Å; I322-I394 HydrophobicContact CG1-CG2 4.4Å; I322-D395 WeakPolarHBondContact CD1-OD1 3.2Å
323	G	88	Confident	81.6	Confident	22 Å²	22	68.3 Å²	68.3	23%	0.227	37%	0.366	C	S	.	.	H	α-helix	trans	-59.7	-38.6	173.7	0	0	0	0	0	112.4	L319 A320 I321 T326 K327	L319-G323 PolarHBondContact O-N 3.33Å; A320-G323 PolarHBondContact O-N 3.45Å; I321-G323 PolarHBondContact O-N 2.99Å; G323-T326 PolarHBondContact O-OG1 3.42Å; G323-K327 WeakPolarHBondContact O-CB 3.02Å; G323-K327 PolarHBondContact O-N 3.28Å
324	Y	87.3	Confident	79.5	Confident	166 Å²	166	68.4 Å²	68.4	65%	0.651	37%	0.368	S	S	*	.	H	α-helix	trans	-68.8	-45.3	176	-179.7	-98.8	0	0	0	112.6	A320 I321 I322 T326 K327	A320-Y324 WeakPolarHBondContact O-CB 3.49Å; A320-Y324 PolarHBondContact O-N 3.24Å; I321-Y324 WeakPolarHBondContact O-CB 3.18Å; I321-Y324 PolarHBondContact O-N 3.25Å; I322-Y324 VanDerWaalsContact C-N 3.28Å; I322-Y324 PolarHBondContact O-N 2.71Å; Y324-T326 PolarHBondContact O-N 3.4Å; Y324-K327 PolarHBondContact O-N 2.88Å
325	L	85.8	Confident	77.4	Confident	40 Å²	40	70.8 Å²	70.8	21%	0.209	38%	0.383	C	S	.	.	H	α-helix	trans	-64.6	-39.9	179.2	-68.5	173.7	0	0	0	111.9	I321 I322 P387 I394	I321-L325 HydrophobicContact CG2-CD1 4.04Å; I321-L325 HydrophobicContact CG2-CG 4.44Å; I321-L325 WeakPolarHBondContact O-CG 3.47Å; I321-L325 PolarHBondContact O-N 3.1Å; I322-L325 PolarHBondContact O-N 3.15Å; L325-P387 WeakPolarHBondContact O-CB 3.48Å; L325-I394 HydrophobicContact CD1-CD1 3.5Å; L325-I394 VanDerWaalsContact CD1-CD1 3.5Å
326	T	81.3	Confident	75.1	Confident	18 Å²	18	79.1 Å²	79.1	11%	0.11	42%	0.419	C	S	.	.	H	α-helix	trans	-76.8	-23.8	-178.7	53.6	0	0	0	0	113.4	P264 I322 G323 Y324 N328 T329 A391	P264-T326 HydrophobicContact CB-CG2 4.19Å; I322-T326 HydrophobicContact CG2-CG2 4.27Å; I322-T326 WeakPolarHBondContact O-CB 3.22Å; I322-T326 WeakPolarHBondContact O-CG2 3.38Å; I322-T326 PolarHBondContact O-N 3.21Å; I322-T326 PolarHBondContact O-OG1 3.2Å; G323-T326 PolarHBondContact O-OG1 3.42Å; Y324-T326 PolarHBondContact O-N 3.4Å; T326-N328 VanDerWaalsContact C-N 3.35Å; T326-N328 PolarHBondContact O-N 2.84Å; T326-T329 VanDerWaalsContact O-CB 3.26Å; T326-T329 WeakPolarHBondContact O-CB 3.04Å; T326-T329 PolarHBondContact O-N 3.21Å; T326-T329 VanDerWaalsContact O-N 3.08Å; T326-T329 PolarHBondContact O-OG1 2.89Å; T326-A391 HydrophobicContact CG2-CB 4.19Å
327	K	80.9	Confident	72.8	Confident	164 Å²	164	88.8 Å²	88.8	71%	0.713	45%	0.453	S	S	*	.	H	α-helix	trans	-55	-41.6	-176.2	-178.5	179.1	176	-177.6	0	114.7	G323 Y324 T329	G323-K327 WeakPolarHBondContact O-CB 3.02Å; G323-K327 PolarHBondContact O-N 3.28Å; Y324-K327 PolarHBondContact O-N 2.88Å; K327-T329 VanDerWaalsContact C-N 3.32Å
328	N	72.3	Confident	70.4	Confident	127 Å²	127	93.1 Å²	93.1	68%	0.679	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	3	-176.6	-68.3	-8.6	0	0	0	113	T326 S330	T326-N328 VanDerWaalsContact C-N 3.35Å; T326-N328 PolarHBondContact O-N 2.84Å; N328-S330 PolarHBondContact O-N 3.29Å
329	T	67.3	Low	67.9	Low	18 Å²	18	104 Å²	104	11%	0.11	51%	0.511	C	S	.	.	S	Bend	trans	-73	120.8	176.9	-53.7	0	0	0	0	108.7	T326 K327 E333 V388	T326-T329 VanDerWaalsContact O-CB 3.26Å; T326-T329 WeakPolarHBondContact O-CB 3.04Å; T326-T329 PolarHBondContact O-N 3.21Å; T326-T329 VanDerWaalsContact O-N 3.08Å; T326-T329 PolarHBondContact O-OG1 2.89Å; K327-T329 VanDerWaalsContact C-N 3.32Å; T329-E333 HydrophobicContact CG2-CB 3.87Å; T329-E333 HydrophobicContact CG2-CG 4.47Å; T329-E333 WeakPolarHBondContact CG2-OE2 3.46Å; T329-V388 HydrophobicContact CG2-CG2 3.35Å
330	S	57.1	Low	65.4	Low	78 Å²	78	109.4 Å²	109.4	55%	0.545	55%	0.546	S	S	.	.			trans	-58.6	140.7	-178.7	-75.7	0	0	0	0	111.2	N328 N332 E333	N328-S330 PolarHBondContact O-N 3.29Å; S330-N332 PolarHBondContact O-N 3.2Å; S330-E333 PolarHBondContact O-N 2.02Å
331	P	57.8	Low	62.8	Low	104 Å²	104	109.1 Å²	109.1	68%	0.675	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-56.4	-15.5	178.9	-2.2	-2	0	0	0	114.6	E333 Q334	P331-E333 VanDerWaalsContact C-N 3.26Å; P331-E333 PolarHBondContact O-N 3.24Å; P331-Q334 PolarHBondContact O-N 2.83Å
332	N	55.1	Low	60.3	Low	144 Å²	144	109.3 Å²	109.3	77%	0.77	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-69.5	-16	173.7	-91.3	-21	0	0	0	114.5	S330	S330-N332 PolarHBondContact O-N 3.2Å
333	E	54.4	Low	57.8	Low	108 Å²	108	118.1 Å²	118.1	51%	0.505	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-96.5	-9.9	175.3	-66.7	-172.8	169.1	0	0	113.5	T329 S330 P331	T329-E333 HydrophobicContact CG2-CB 3.87Å; T329-E333 HydrophobicContact CG2-CG 4.47Å; T329-E333 WeakPolarHBondContact CG2-OE2 3.46Å; S330-E333 PolarHBondContact O-N 2.02Å; P331-E333 VanDerWaalsContact C-N 3.26Å; P331-E333 PolarHBondContact O-N 3.24Å
334	Q	52.1	Low	55.2	Low	110 Å²	110	121.7 Å²	121.7	51%	0.514	63%	0.626	S	S	.	*	S	Bend	trans	-63.9	133.9	168.5	-65.6	-174	-2	0	0	108	Y265 P331 K336	Y265-Q334 HydrophobicContact CE1-CG 4.16Å; P331-Q334 PolarHBondContact O-N 2.83Å; Q334-K336 PolarHBondContact O-N 2.83Å
335	P	49.5	Very low	52.8	Low	97 Å²	97	119.7 Å²	119.7	63%	0.63	63%	0.634	S	S	*	*			trans	-54.3	112.5	172	-5.9	9.9	0	0	0	106.8	R337	P335-R337 PolarHBondContact O-N 3.39Å
336	K	44.3	Very low	50.3	Low	175 Å²	175	126.8 Å²	126.8	76%	0.761	67%	0.665	S	S	*	*			trans	-51	108.8	173.3	-76.6	178.2	178.5	175.7	0	104.9	Q334 Q338	Q334-K336 PolarHBondContact O-N 2.83Å; K336-Q338 VanDerWaalsContact C-N 3.26Å; K336-Q338 PolarHBondContact O-N 2.8Å
337	R	45.7	Very low	48	Very low	235 Å²	235	133.6 Å²	133.6	89%	0.887	70%	0.7	S	S	*	*			trans	-47.8	105.3	162.2	-96.4	178.2	165.3	175.8	-4.7	103.6	P335 R339	P335-R337 PolarHBondContact O-N 3.39Å; R337-R339 PolarHBondContact O-N 3.06Å
338	Q	42.4	Very low	45.8	Very low	175 Å²	175	131.2 Å²	131.2	82%	0.818	70%	0.701	S	S	*	*			trans	-57.3	96.9	163.3	-86.8	-180	-8.5	0	0	102.8	K336 T340	K336-Q338 VanDerWaalsContact C-N 3.26Å; K336-Q338 PolarHBondContact O-N 2.8Å; Q338-T340 PolarHBondContact O-N 2.85Å
339	R	41.4	Very low	43.9	Very low	237 Å²	237	132.8 Å²	132.8	89%	0.894	71%	0.708	S	S	*	*			trans	-60.9	86.7	157.6	-80.3	178.7	167.9	170.3	-3.6	102.7	R337 G341	R337-R339 PolarHBondContact O-N 3.06Å; R339-G341 PolarHBondContact O-N 2.86Å
340	T	37.9	Very low	42.1	Very low	128 Å²	128	137.5 Å²	137.5	79%	0.785	74%	0.737	S	S	*	*			trans	-63.6	63.1	144.8	39.8	0	0	0	0	105.9	Q338 A342	Q338-T340 PolarHBondContact O-N 2.85Å; T340-A342 PolarHBondContact O-N 2.76Å
341	G	38	Very low	40.8	Very low	55 Å²	55	144.8 Å²	144.8	57%	0.567	75%	0.753	S	S	*	*			trans	-64.2	98	156.3	0	0	0	0	0	103.3	R339 Q343	R339-G341 PolarHBondContact O-N 2.86Å; G341-Q343 PolarHBondContact O-N 3.47Å
342	A	39.6	Very low	39.4	Very low	94 Å²	94	148.3 Å²	148.3	78%	0.777	76%	0.759	S	S	*	*			trans	-50.7	83.2	156.2	0	0	0	0	0	107.5	T340 S344	T340-A342 PolarHBondContact O-N 2.76Å; A342-S344 VanDerWaalsContact C-N 3.31Å; A342-S344 PolarHBondContact O-N 3.42Å
343	Q	34.9	Very low	38.3	Very low	185 Å²	185	145.9 Å²	145.9	86%	0.864	76%	0.76	S	S	*	*			trans	-81.8	95.4	157.4	-76.6	-174.5	-2	0	0	104.8	G341	G341-Q343 PolarHBondContact O-N 3.47Å
344	S	34	Very low	37	Very low	97 Å²	97	147.5 Å²	147.5	68%	0.678	77%	0.771	S	S	*	*			trans	-33.8	130.3	162.3	-39	0	0	0	0	110.1	A342 Q346	A342-S344 VanDerWaalsContact C-N 3.31Å; A342-S344 PolarHBondContact O-N 3.42Å; S344-Q346 PolarHBondContact O-N 3.4Å
345	P	36.8	Very low	35.5	Very low	125 Å²	125	152.4 Å²	152.4	81%	0.812	79%	0.785	S	S	*	*			trans	-67.7	103.8	-175.3	25.8	-31.6	0	0	0	109.8	I347	P345-I347 PolarHBondContact O-N 3.17Å
346	Q	33	Very low	34.5	Very low	188 Å²	188	157.1 Å²	157.1	88%	0.879	80%	0.796	S	S	*	*			trans	-76.1	115.1	161.2	-72.8	-169	-12.6	0	0	108	S344	S344-Q346 PolarHBondContact O-N 3.4Å
347	I	33.8	Very low	33.6	Very low	162 Å²	162	154.2 Å²	154.2	83%	0.831	79%	0.793	S	S	*	*			trans	-50	123.6	179	-64	156.1	0	0	0	110.2	P345 L349	P345-I347 PolarHBondContact O-N 3.17Å; I347-L349 PolarHBondContact O-N 3.04Å
348	P	33.7	Very low	32.6	Very low	113 Å²	113	147.9 Å²	147.9	73%	0.734	79%	0.79	S	S	*	*			trans	-77.7	119.8	-178.4	27.4	-29.3	0	0	0	111	V350	P348-V350 PolarHBondContact O-N 2.84Å
349	L	34.1	Very low	32	Very low	160 Å²	160	144 Å²	144	84%	0.838	79%	0.789	S	S	*	*			trans	-69.6	107.1	171.9	-162.7	115.5	0	0	0	109.2	I347 R351	I347-L349 PolarHBondContact O-N 3.04Å; L349-R351 PolarHBondContact O-N 2.87Å
350	V	28.7	Very low	31.2	Very low	117 Å²	117	140.7 Å²	140.7	71%	0.709	79%	0.789	S	S	*	*			trans	-60	116.5	177.7	173.9	0	0	0	0	110.5	P348	P348-V350 PolarHBondContact O-N 2.84Å
351	R	30.6	Very low	30.7	Very low	232 Å²	232	137.9 Å²	137.9	88%	0.875	79%	0.785	S	S	*	*			trans	-137.3	101.6	154.5	-93.7	-174.3	178.2	-175.9	-0.6	110.5	L349	L349-R351 PolarHBondContact O-N 2.87Å
352	H	27.1	Very low	29.9	Very low	177 Å²	177	144 Å²	144	82%	0.819	80%	0.799	S	S	*	*			trans	-58.5	125.1	161.4	-88.6	102.6	0	0	0	110.7
353	A	31.7	Very low	29.3	Very low	94 Å²	94	151.3 Å²	151.3	78%	0.777	81%	0.806	S	S	*	*			trans	-147.6	88.9	152.4	0	0	0	0	0	106.1
354	L	27.3	Very low	28.8	Very low	141 Å²	141	151.2 Å²	151.2	74%	0.738	81%	0.806	S	S	*	*				54.7	104.3	98.7	-88.9	160.6	0	0	0	114.3
355	R	21.8	Very low	28.3	Very low	213 Å²	213	152.1 Å²	152.1	80%	0.804	81%	0.812	S	S	*	*			trans	39.2	129.1	133.2	-69.3	177.9	-174.1	163.1	1.6	118.6
356	F	28.3	Very low	27.8	Very low	197 Å²	197	150.4 Å²	150.4	86%	0.864	80%	0.803	S	S	*	*				-171.6	96.6	123.5	-95.4	-78.1	0	0	0	106.2
357	T	24.7	Very low	27.4	Very low	114 Å²	114	148 Å²	148	70%	0.699	80%	0.801	S	S	*	*				65.2	125.1	96.6	61.6	0	0	0	0	117
358	A	24.9	Very low	27.1	Very low	101 Å²	101	150.6 Å²	150.6	84%	0.835	80%	0.801	S	S	*	*			trans	69.6	111.4	132.5	0	0	0	0	0	120.5
359	A	30.2	Very low	26.8	Very low	95 Å²	95	152.7 Å²	152.7	79%	0.785	81%	0.805	S	S	*	*				-179.1	103	128.1	0	0	0	0	0	106.2
360	D	24.1	Very low	26.6	Very low	167 Å²	167	150.7 Å²	150.7	89%	0.893	80%	0.801	S	S	*	*				75.1	132.8	87	-159	17.5	0	0	0	113.1
361	G	26.8	Very low	26.6	Very low	69 Å²	69	151.4 Å²	151.4	71%	0.711	81%	0.807	S	S	*	*			trans	145	65.5	-177.6	0	0	0	0	0	114.5	R363	G361-R363 PolarHBondContact O-N 3.22Å
362	Q	21.8	Very low	26.8	Very low	184 Å²	184	149.7 Å²	149.7	86%	0.86	81%	0.806	S	S	*	*			trans	-47.6	133.6	157.9	-74.3	178.8	-36.3	0	0	111.3
363	R	26.6	Very low	27.1	Very low	246 Å²	246	143 Å²	143	93%	0.928	78%	0.784	S	S	*	*			trans	-160	104.6	142	-110.8	169.1	-171.4	-172.6	2.8	112.1	G361	G361-R363 PolarHBondContact O-N 3.22Å
364	Q	25	Very low	27.3	Very low	184 Å²	184	149.5 Å²	149.5	86%	0.86	79%	0.789	S	S	*	*			trans	3.2	123.9	152.3	-72.1	165.9	-10.4	0	0	119.3
365	S	22.7	Very low	27.7	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	79%	0.79	S	S	*	*				32.4	104.1	121	-168.4	0	0	0	0	117.9
366	S	26.9	Very low	28.7	Very low	90 Å²	90	145.6 Å²	145.6	63%	0.629	78%	0.78	S	S	*	*			trans	-147.8	101.2	138.7	-171.3	0	0	0	0	108.5	R368	S366-R368 VanDerWaalsContact C-N 3.29Å; S366-R368 PolarHBondContact O-N 2.95Å
367	T	25.1	Very low	29.1	Very low	136 Å²	136	141.1 Å²	141.1	83%	0.834	77%	0.772	S	S	*	*			trans	-51.3	90.3	159.9	36.1	0	0	0	0	109.8
368	R	27.2	Very low	30.1	Very low	218 Å²	218	140.9 Å²	140.9	82%	0.823	77%	0.765	S	S	*	*			trans	-95.1	105	159.4	-67.2	-172.1	-168	-174.4	4	106.9	S366	S366-R368 VanDerWaalsContact C-N 3.29Å; S366-R368 PolarHBondContact O-N 2.95Å
369	L	26.5	Very low	31	Very low	157 Å²	157	143 Å²	143	82%	0.822	76%	0.758	S	S	*	*			trans	-39.9	137.8	160.3	-85.9	138.2	0	0	0	109.4	T371	L369-T371 PolarHBondContact O-N 2.97Å
370	P	31.6	Very low	31.8	Very low	117 Å²	117	144 Å²	144	76%	0.76	75%	0.75	S	S	*	*			trans	-59.6	118	-178.1	25.2	-31.4	0	0	0	107.5	F372	P370-F372 VanDerWaalsContact C-N 3.25Å; P370-F372 PolarHBondContact O-N 2.89Å
371	T	28.4	Very low	32.4	Very low	133 Å²	133	139.6 Å²	139.6	82%	0.816	73%	0.731	S	S	*	*			trans	-56.5	102.6	159.8	38.9	0	0	0	0	105.2	L369 G373	L369-T371 PolarHBondContact O-N 2.97Å; T371-G373 WeakPolarHBondContact O-CA 3.36Å; T371-G373 PolarHBondContact O-N 2.82Å
372	F	33.8	Very low	33.2	Very low	196 Å²	196	145.5 Å²	145.5	86%	0.86	73%	0.732	S	S	*	*			trans	-56.1	95.8	171.3	-177.4	-104.5	0	0	0	105.8	P370 R374	P370-F372 VanDerWaalsContact C-N 3.25Å; P370-F372 PolarHBondContact O-N 2.89Å; F372-R374 PolarHBondContact O-N 2.66Å; F372-R374 VanDerWaalsContact O-N 3.09Å
373	G	34.2	Very low	34.5	Very low	35 Å²	35	139.5 Å²	139.5	36%	0.361	71%	0.71	S	S	.	*			trans	-63	118.3	-166.5	0	0	0	0	0	107.7	T371 K375	T371-G373 WeakPolarHBondContact O-CA 3.36Å; T371-G373 PolarHBondContact O-N 2.82Å; G373-K375 PolarHBondContact O-N 2.88Å
374	R	35.2	Very low	35.8	Very low	232 Å²	232	133 Å²	133	88%	0.875	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	11.7	162.3	-147.6	176.2	-175	-174.9	0.7	113.6	F372	F372-R374 PolarHBondContact O-N 2.66Å; F372-R374 VanDerWaalsContact O-N 3.09Å
375	K	36.2	Very low	37.4	Very low	174 Å²	174	130.3 Å²	130.3	76%	0.757	68%	0.683	S	S	*	*	H	α-helix	trans	-90.1	-17	-176.5	-67.6	-167.8	177	-174.5	0	113.9	G373 H379	G373-K375 PolarHBondContact O-N 2.88Å; K375-H379 WeakPolarHBondContact O-CB 3.48Å; K375-H379 PolarHBondContact O-N 3Å
376	T	42.3	Very low	39.6	Very low	98 Å²	98	125.9 Å²	125.9	60%	0.601	65%	0.652	S	S	*	*	H	α-helix	trans	-73.6	-35.5	178	45.2	0	0	0	0	112.9	N380	T376-N380 PolarHBondContact O-N 2.85Å
377	C	38	Very low	41.8	Very low	102 Å²	102	123.7 Å²	123.7	69%	0.689	64%	0.636	S	S	*	*	H	α-helix	trans	-76.7	-36.6	177.2	-132.2	0	0	0	0	112.5	C381	C377-C381 VanDerWaalsContact O-CB 3.28Å; C377-C381 WeakPolarHBondContact O-CB 3.45Å; C377-C381 PolarHBondContact O-N 3.44Å
378	L	45.5	Very low	44.2	Very low	109 Å²	109	117.8 Å²	117.8	57%	0.571	60%	0.599	S	S	*	*	H	α-helix	trans	-68.3	-38.5	-179.9	-133.7	91.1	0	0	0	111.9	C381 W382	L378-C381 PolarHBondContact O-N 3.07Å; L378-W382 WeakPolarHBondContact O-CB 3.42Å; L378-W382 VanDerWaalsContact O-CD1 3.22Å; L378-W382 PolarHBondContact O-N 2.96Å
379	H	43.9	Very low	46.6	Very low	146 Å²	146	111.2 Å²	111.2	68%	0.676	58%	0.575	S	S	*	*	H	α-helix	trans	-72	-34.9	-179.6	-153	-78.5	0	0	0	112.4	K375 S383	K375-H379 WeakPolarHBondContact O-CB 3.48Å; K375-H379 PolarHBondContact O-N 3Å; H379-S383 WeakPolarHBondContact O-CB 3.4Å; H379-S383 PolarHBondContact O-N 2.93Å; H379-S383 PolarHBondContact O-OG 3.35Å
380	N	45.8	Very low	49.3	Very low	116 Å²	116	107.5 Å²	107.5	62%	0.62	56%	0.555	S	S	*	*	H	α-helix	trans	-75.7	-30.5	174.2	-79.1	5.4	0	0	0	112.9	T376 S383 M384	T376-N380 PolarHBondContact O-N 2.85Å; N380-S383 WeakPolarHBondContact CA-OG 3.41Å; N380-S383 PolarHBondContact O-OG 3.21Å; N380-M384 PolarHBondContact O-N 3.45Å
381	C	37.8	Very low	51.7	Low	74 Å²	74	102 Å²	102	50%	0.5	52%	0.518	S	S	.	.	H	α-helix	trans	-73.9	-38.5	174.2	-171.1	0	0	0	0	111.5	C377 L378 M384 L385	C377-C381 VanDerWaalsContact O-CB 3.28Å; C377-C381 WeakPolarHBondContact O-CB 3.45Å; C377-C381 PolarHBondContact O-N 3.44Å; L378-C381 PolarHBondContact O-N 3.07Å; C381-M384 WeakPolarHBondContact O-CB 3.21Å; C381-M384 PolarHBondContact O-N 3.34Å; C381-L385 PolarHBondContact O-N 3.16Å
382	W	43.2	Very low	54.4	Low	194 Å²	194	100.2 Å²	100.2	74%	0.735	50%	0.501	S	S	*	.	H	α-helix	trans	-70.9	-33.7	175.4	-81.5	43.1	0	0	0	112.8	L378 M384 L385 S386	L378-W382 WeakPolarHBondContact O-CB 3.42Å; L378-W382 VanDerWaalsContact O-CD1 3.22Å; L378-W382 PolarHBondContact O-N 2.96Å; W382-M384 PolarHBondContact O-N 3.07Å; W382-L385 PolarHBondContact O-N 3.3Å; W382-S386 PolarHBondContact O-N 2.67Å
383	S	49.9	Very low	56.9	Low	57 Å²	57	98.5 Å²	98.5	40%	0.399	49%	0.489	S	S	.	.	H	α-helix	trans	-65.1	-30.3	172.5	65.9	0	0	0	0	112.4	H379 N380 L385 S386 Y389	H379-S383 WeakPolarHBondContact O-CB 3.4Å; H379-S383 PolarHBondContact O-N 2.93Å; H379-S383 PolarHBondContact O-OG 3.35Å; N380-S383 WeakPolarHBondContact CA-OG 3.41Å; N380-S383 PolarHBondContact O-OG 3.21Å; S383-L385 VanDerWaalsContact C-N 3.29Å; S383-L385 PolarHBondContact O-N 3.45Å; S383-S386 WeakPolarHBondContact O-CB 3.36Å; S383-S386 PolarHBondContact O-N 3.42Å; S383-S386 PolarHBondContact O-OG 3.06Å; S383-Y389 WeakPolarHBondContact O-CB 3.45Å
384	M	52.1	Low	59.5	Low	110 Å²	110	99.3 Å²	99.3	54%	0.542	49%	0.485	S	S	.	.	H	α-helix	trans	-74.1	-18.1	177.2	-149.1	178.1	169.3	0	0	113.2	N380 C381 W382 Y389	N380-M384 PolarHBondContact O-N 3.45Å; C381-M384 WeakPolarHBondContact O-CB 3.21Å; C381-M384 PolarHBondContact O-N 3.34Å; W382-M384 PolarHBondContact O-N 3.07Å; M384-Y389 HydrophobicContact CG-CD1 4.27Å; M384-Y389 HydrophobicContact CG-CE1 3.66Å; M384-Y389 WeakPolarHBondContact O-CD1 3.38Å
385	L	60.2	Low	62	Low	127 Å²	127	88.7 Å²	88.7	67%	0.665	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	1.8	169.6	-99.6	88.2	0	0	0	113.1	C381 W382 S383	C381-L385 PolarHBondContact O-N 3.16Å; W382-L385 PolarHBondContact O-N 3.3Å; S383-L385 VanDerWaalsContact C-N 3.29Å; S383-L385 PolarHBondContact O-N 3.45Å
386	S	68.1	Low	64.5	Low	22 Å²	22	82.9 Å²	82.9	15%	0.154	43%	0.43	C	S	.	.			trans	-61.8	137.7	-179.9	68	0	0	0	0	110.3	W382 S383 V388 Y389 M390	W382-S386 PolarHBondContact O-N 2.67Å; S383-S386 WeakPolarHBondContact O-CB 3.36Å; S383-S386 PolarHBondContact O-N 3.42Å; S383-S386 PolarHBondContact O-OG 3.06Å; S386-V388 PolarHBondContact O-N 3.45Å; S386-V388 VanDerWaalsContact O-N 3.13Å; S386-Y389 PolarHBondContact O-N 2.95Å; S386-Y389 WeakPolarHBondContact OG-CB 3.19Å; S386-Y389 PolarHBondContact OG-N 3.25Å; S386-M390 PolarHBondContact O-N 3.18Å; S386-M390 VanDerWaalsContact O-N 3.1Å
387	P	73.5	Confident	66.7	Low	45 Å²	45	80.9 Å²	80.9	29%	0.292	42%	0.423	S	S	.	.	H	α-helix	trans	-55.6	-30.4	178.3	-24.8	32.9	0	0	0	113.4	L325 M390 A391	L325-P387 WeakPolarHBondContact O-CB 3.48Å; P387-M390 PolarHBondContact O-N 3.09Å; P387-A391 PolarHBondContact O-N 3Å
388	V	75	Confident	69.3	Low	12 Å²	12	76.6 Å²	76.6	7%	0.073	39%	0.394	C	S	.	.	H	α-helix	trans	-66.1	-48.4	174.6	179.1	0	0	0	0	111.6	Y265 T329 S386 M390 A391 E392	Y265-V388 HydrophobicContact CE2-CG1 4.32Å; Y265-V388 VanDerWaalsContact OH-CG1 3.27Å; Y265-V388 WeakPolarHBondContact OH-CG1 3.23Å; Y265-V388 WeakPolarHBondContact OH-CG2 3.11Å; T329-V388 HydrophobicContact CG2-CG2 3.35Å; S386-V388 PolarHBondContact O-N 3.45Å; S386-V388 VanDerWaalsContact O-N 3.13Å; V388-M390 VanDerWaalsContact C-N 3.25Å; V388-M390 PolarHBondContact O-N 3.35Å; V388-A391 WeakPolarHBondContact O-CB 3.35Å; V388-A391 PolarHBondContact O-N 3.44Å; V388-A391 VanDerWaalsContact O-N 3.1Å; V388-E392 PolarHBondContact O-N 2.97Å
389	Y	78.7	Confident	71.4	Confident	80 Å²	80	73.5 Å²	73.5	31%	0.314	38%	0.381	S	S	.	.	H	α-helix	trans	-61.5	-37.1	177.3	180	-100.3	0	0	0	111.6	S383 M384 S386 R393	S383-Y389 WeakPolarHBondContact O-CB 3.45Å; M384-Y389 HydrophobicContact CG-CD1 4.27Å; M384-Y389 HydrophobicContact CG-CE1 3.66Å; M384-Y389 WeakPolarHBondContact O-CD1 3.38Å; S386-Y389 PolarHBondContact O-N 2.95Å; S386-Y389 WeakPolarHBondContact OG-CB 3.19Å; S386-Y389 PolarHBondContact OG-N 3.25Å; Y389-R393 VanDerWaalsContact CE1-CD 3.49Å; Y389-R393 HydrophobicContact CE1-CG 4.17Å; Y389-R393 WeakPolarHBondContact O-CG 3.24Å; Y389-R393 PolarHBondContact O-N 3.01Å; Y389-R393 VanDerWaalsContact O-N 3.13Å
390	M	82	Confident	73.6	Confident	79 Å²	79	74 Å²	74	39%	0.389	38%	0.382	S	S	.	.	H	α-helix	trans	-64	-42.4	173	-71.5	-169.8	-76.2	0	0	112.2	S386 P387 V388 R393 I394	S386-M390 PolarHBondContact O-N 3.18Å; S386-M390 VanDerWaalsContact O-N 3.1Å; P387-M390 PolarHBondContact O-N 3.09Å; V388-M390 VanDerWaalsContact C-N 3.25Å; V388-M390 PolarHBondContact O-N 3.35Å; M390-R393 PolarHBondContact O-N 3.26Å; M390-I394 WeakPolarHBondContact O-CG1 3.37Å; M390-I394 PolarHBondContact O-N 2.95Å
391	A	82.7	Confident	75.8	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-61.4	-45.5	176.5	0	0	0	0	0	112.4	P264 I322 T326 P387 V388 R393 I394 D395	P264-A391 HydrophobicContact CB-CB 4.07Å; I322-A391 HydrophobicContact CG1-CB 4.33Å; I322-A391 HydrophobicContact CG2-CB 4.25Å; T326-A391 HydrophobicContact CG2-CB 4.19Å; P387-A391 PolarHBondContact O-N 3Å; V388-A391 WeakPolarHBondContact O-CB 3.35Å; V388-A391 PolarHBondContact O-N 3.44Å; V388-A391 VanDerWaalsContact O-N 3.1Å; A391-R393 VanDerWaalsContact C-N 3.29Å; A391-R393 PolarHBondContact O-N 3.48Å; A391-I394 PolarHBondContact O-N 2.85Å; A391-I394 VanDerWaalsContact O-N 3.14Å; A391-D395 PolarHBondContact O-N 3.46Å
392	E	84.4	Confident	78.4	Confident	97 Å²	97	68.5 Å²	68.5	45%	0.453	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-36.1	177.2	-69.7	-179.3	170.6	0	0	112.5	P264 V388 A396	P264-E392 HydrophobicContact CG-CG 3.93Å; V388-E392 PolarHBondContact O-N 2.97Å; E392-A396 WeakPolarHBondContact O-CB 3.27Å; E392-A396 PolarHBondContact O-N 2.8Å
393	R	87.6	Confident	80.8	Confident	159 Å²	159	60.7 Å²	60.7	60%	0.6	33%	0.327	S	S	*	.	H	α-helix	trans	-69	-35.5	175	-74.9	-167.4	69.6	-166.7	1.8	113	Y389 M390 A391 A397	Y389-R393 VanDerWaalsContact CE1-CD 3.49Å; Y389-R393 HydrophobicContact CE1-CG 4.17Å; Y389-R393 WeakPolarHBondContact O-CG 3.24Å; Y389-R393 PolarHBondContact O-N 3.01Å; Y389-R393 VanDerWaalsContact O-N 3.13Å; M390-R393 PolarHBondContact O-N 3.26Å; A391-R393 VanDerWaalsContact C-N 3.29Å; A391-R393 PolarHBondContact O-N 3.48Å; R393-A397 WeakPolarHBondContact O-CB 3.35Å; R393-A397 PolarHBondContact O-N 3.27Å
394	I	87.4	Confident	82.9	Confident	53 Å²	53	62 Å²	62	27%	0.272	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-49.1	175	-67.5	165.5	0	0	0	109.3	E318 I321 I322 L325 M390 A391 A396 A397 S398	E318-I394 HydrophobicContact CG-CG2 4.1Å; I321-I394 HydrophobicContact CG2-CD1 4.25Å; I322-I394 HydrophobicContact CD1-CG2 4.25Å; I322-I394 HydrophobicContact CG1-CG2 4.4Å; L325-I394 HydrophobicContact CD1-CD1 3.5Å; L325-I394 VanDerWaalsContact CD1-CD1 3.5Å; M390-I394 WeakPolarHBondContact O-CG1 3.37Å; M390-I394 PolarHBondContact O-N 2.95Å; A391-I394 PolarHBondContact O-N 2.85Å; A391-I394 VanDerWaalsContact O-N 3.14Å; I394-A396 VanDerWaalsContact C-N 3.32Å; I394-A396 PolarHBondContact O-N 2.77Å; I394-A397 PolarHBondContact O-N 3.17Å; I394-A397 VanDerWaalsContact O-N 3.1Å; I394-S398 WeakPolarHBondContact O-CB 3.31Å; I394-S398 PolarHBondContact O-N 2.92Å; I394-S398 PolarHBondContact O-OG 3.45Å
395	D	88.1	Confident	85	Confident	9 Å²	9	61.4 Å²	61.4	5%	0.048	33%	0.331	C	S	.	.	H	α-helix	trans	-54.7	-47.9	176.1	-83	-35.3	0	0	0	111.4	R270 E318 I322 A391 A397 S398 C399	R270-D395 IonicContact CZ-OD1 3.18Å; R270-D395 IonicContact CZ-OD2 3.94Å; R270-D395 VanDerWaalsContact NH1-CG 3.29Å; R270-D395 IonicContact NH1-OD1 2.87Å; R270-D395 PolarHBondContact NH1-OD1 3.08Å; R270-D395 IonicContact NH1-OD2 2.91Å; R270-D395 PolarHBondContact NH1-OD2 2.84Å; R270-D395 IonicContact NH2-OD1 2.72Å; R270-D395 PolarHBondContact NH2-OD1 3.15Å; E318-D395 VanDerWaalsContact OE1-OD1 3.14Å; I322-D395 WeakPolarHBondContact CD1-OD1 3.2Å; A391-D395 PolarHBondContact O-N 3.46Å; D395-A397 VanDerWaalsContact C-N 3.33Å; D395-A397 PolarHBondContact O-N 2.89Å; D395-S398 PolarHBondContact O-N 2.86Å; D395-C399 PolarHBondContact O-N 3.13Å; D395-C399 PolarHBondContact O-SG 3.3Å
396	A	87.9	Confident	86.7	Confident	52 Å²	52	55.6 Å²	55.6	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-39.5	178.6	0	0	0	0	0	112.4	E392 I394 F400	E392-A396 WeakPolarHBondContact O-CB 3.27Å; E392-A396 PolarHBondContact O-N 2.8Å; I394-A396 VanDerWaalsContact C-N 3.32Å; I394-A396 PolarHBondContact O-N 2.77Å; A396-F400 WeakPolarHBondContact O-CD2 3.45Å
397	A	90.3	Very high	88	Confident	56 Å²	56	57.6 Å²	57.6	46%	0.463	31%	0.314	S	S	.	.	H	α-helix	trans	-69.3	-43.9	175.5	0	0	0	0	0	111.7	R393 I394 D395 C399 F400 A401	R393-A397 WeakPolarHBondContact O-CB 3.35Å; R393-A397 PolarHBondContact O-N 3.27Å; I394-A397 PolarHBondContact O-N 3.17Å; I394-A397 VanDerWaalsContact O-N 3.1Å; D395-A397 VanDerWaalsContact C-N 3.33Å; D395-A397 PolarHBondContact O-N 2.89Å; A397-C399 VanDerWaalsContact C-N 3.28Å; A397-C399 PolarHBondContact O-N 3.49Å; A397-F400 PolarHBondContact O-N 3.06Å; A397-F400 VanDerWaalsContact O-N 3.1Å; A397-A401 WeakPolarHBondContact O-CB 3.38Å; A397-A401 PolarHBondContact O-N 3.27Å
398	S	90.7	Very high	89.1	Confident	11 Å²	11	60.4 Å²	60.4	8%	0.077	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-38.8	178.3	-63.6	0	0	0	0	112	E318 I394 D395 F400 A401 F402	E318-S398 WeakPolarHBondContact CG-OG 3.49Å; E318-S398 PolarHBondContact OE1-OG 2.78Å; I394-S398 WeakPolarHBondContact O-CB 3.31Å; I394-S398 PolarHBondContact O-N 2.92Å; I394-S398 PolarHBondContact O-OG 3.45Å; D395-S398 PolarHBondContact O-N 2.86Å; S398-F400 PolarHBondContact O-N 3.39Å; S398-F400 VanDerWaalsContact O-N 3.14Å; S398-A401 PolarHBondContact O-N 2.89Å; S398-F402 PolarHBondContact O-N 3.04Å; S398-F402 VanDerWaalsContact O-N 3.16Å
399	C	89.6	Confident	90.1	Very high	45 Å²	45	61.8 Å²	61.8	30%	0.304	33%	0.331	S	S	.	.	H	α-helix	trans	-56	-27.8	175.6	-73.4	0	0	0	0	113.9	F260 D395 A397 P403	F260-C399 VanDerWaalsContact CB-SG 3.55Å; D395-C399 PolarHBondContact O-N 3.13Å; D395-C399 PolarHBondContact O-SG 3.3Å; A397-C399 VanDerWaalsContact C-N 3.28Å; A397-C399 PolarHBondContact O-N 3.49Å; C399-P403 WeakPolarHBondContact O-CD 3.47Å; C399-P403 VanDerWaalsContact O-CG 3.3Å; C399-P403 WeakPolarHBondContact O-CG 3.49Å
400	F	91	Very high	90.9	Very high	156 Å²	156	58.8 Å²	58.8	68%	0.684	32%	0.321	S	S	*	.	H	α-helix	trans	-103.9	-40.5	176.9	-63.5	-75.8	0	0	0	112.5	A396 A397 S398 P403 V404	A396-F400 WeakPolarHBondContact O-CD2 3.45Å; A397-F400 PolarHBondContact O-N 3.06Å; A397-F400 VanDerWaalsContact O-N 3.1Å; S398-F400 PolarHBondContact O-N 3.39Å; S398-F400 VanDerWaalsContact O-N 3.14Å; F400-P403 WeakPolarHBondContact O-CD 3.28Å; F400-V404 WeakPolarHBondContact O-CB 3.13Å; F400-V404 WeakPolarHBondContact O-CG2 3.16Å; F400-V404 PolarHBondContact O-N 3.06Å; F400-V404 VanDerWaalsContact O-N 3.14Å
401	A	91.9	Very high	91.6	Very high	47 Å²	47	60.8 Å²	60.8	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-64	-46.9	-174.5	0	0	0	0	0	112.4	A397 S398 V404 L405	A397-A401 WeakPolarHBondContact O-CB 3.38Å; A397-A401 PolarHBondContact O-N 3.27Å; S398-A401 PolarHBondContact O-N 2.89Å; A401-V404 PolarHBondContact O-N 3.1Å; A401-L405 WeakPolarHBondContact O-CB 3.36Å; A401-L405 VanDerWaalsContact O-CG 3.28Å; A401-L405 WeakPolarHBondContact O-CG 3.3Å; A401-L405 PolarHBondContact O-N 2.86Å
402	F	93	Very high	92.2	Very high	27 Å²	27	63.5 Å²	63.5	12%	0.118	35%	0.354	C	S	.	.	H	α-helix	trans	-64.6	-49.2	-178.3	-82.1	-105.5	0	0	0	112.4	F260 F311 C314 S398 V404 L405 F406	F260-F402 HydrophobicContact CE2-CB 3.93Å; F260-F402 HydrophobicContact CE2-CD1 4.33Å; F260-F402 HydrophobicContact CE2-CD2 4.09Å; F260-F402 AromaticContact CE2-CG 3.88Å; F260-F402 HydrophobicContact CE2-CG 3.88Å; F260-F402 HydrophobicContact CZ-CB 4.47Å; F260-F402 HydrophobicContact CZ-CD1 4.05Å; F260-F402 HydrophobicContact CZ-CD2 4.01Å; F260-F402 HydrophobicContact CZ-CE1 4.22Å; F260-F402 HydrophobicContact CZ-CE2 4.19Å; F260-F402 AromaticContact CZ-CG 3.94Å; F260-F402 HydrophobicContact CZ-CG 3.94Å; F260-F402 HydrophobicContact CZ-CZ 4.29Å; F311-F402 HydrophobicContact CD1-CD1 4.36Å; C314-F402 HydrophobicContact CB-CE1 3.65Å; C314-F402 HydrophobicContact CB-CZ 3.93Å; S398-F402 PolarHBondContact O-N 3.04Å; S398-F402 VanDerWaalsContact O-N 3.16Å; F402-V404 PolarHBondContact O-N 2.85Å; F402-L405 PolarHBondContact O-N 2.83Å; F402-F406 WeakPolarHBondContact O-CB 3.24Å; F402-F406 PolarHBondContact O-N 2.95Å
403	P	93.4	Very high	92.8	Very high	31 Å²	31	59.2 Å²	59.2	20%	0.201	33%	0.334	C	S	.	.	H	α-helix	trans	-61.7	-38.2	176.4	-27	36.5	0	0	0	114.5	W257 C399 F400 S407	W257-P403 HydrophobicContact CD2-CG 4.03Å; W257-P403 HydrophobicContact CE3-CB 4.22Å; W257-P403 HydrophobicContact CE3-CG 3.71Å; W257-P403 VanDerWaalsContact CH2-CA 3.49Å; W257-P403 HydrophobicContact CH2-CB 3.83Å; W257-P403 HydrophobicContact CH2-CG 4.09Å; W257-P403 HydrophobicContact CZ2-CB 4.44Å; W257-P403 HydrophobicContact CZ2-CG 4.4Å; W257-P403 HydrophobicContact CZ3-CB 3.7Å; W257-P403 HydrophobicContact CZ3-CG 3.73Å; C399-P403 WeakPolarHBondContact O-CD 3.47Å; C399-P403 VanDerWaalsContact O-CG 3.3Å; C399-P403 WeakPolarHBondContact O-CG 3.49Å; F400-P403 WeakPolarHBondContact O-CD 3.28Å; P403-S407 VanDerWaalsContact O-CB 3.31Å; P403-S407 WeakPolarHBondContact O-CB 3.35Å; P403-S407 PolarHBondContact O-N 2.99Å; P403-S407 PolarHBondContact O-OG 3.22Å
404	V	94.3	Very high	93.1	Very high	85 Å²	85	54 Å²	54	52%	0.515	31%	0.314	S	S	.	.	H	α-helix	trans	-65.4	-48.8	177.7	170.1	0	0	0	0	110.7	F400 A401 F402 F406 S407 L408	F400-V404 WeakPolarHBondContact O-CB 3.13Å; F400-V404 WeakPolarHBondContact O-CG2 3.16Å; F400-V404 PolarHBondContact O-N 3.06Å; F400-V404 VanDerWaalsContact O-N 3.14Å; A401-V404 PolarHBondContact O-N 3.1Å; F402-V404 PolarHBondContact O-N 2.85Å; V404-F406 VanDerWaalsContact C-N 3.32Å; V404-F406 PolarHBondContact O-N 3.1Å; V404-S407 PolarHBondContact O-N 2.97Å; V404-L408 HydrophobicContact CG1-CD1 4.31Å; V404-L408 WeakPolarHBondContact O-CG 3.16Å; V404-L408 PolarHBondContact O-N 3Å
405	L	95.3	Very high	93.4	Very high	96 Å²	96	54.3 Å²	54.3	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-61.6	-41.6	178.3	-72.5	172	0	0	0	111.9	F311 A401 F402 S407 L408 F409	F311-L405 HydrophobicContact CE1-CB 3.82Å; F311-L405 HydrophobicContact CZ-CB 4.17Å; A401-L405 WeakPolarHBondContact O-CB 3.36Å; A401-L405 VanDerWaalsContact O-CG 3.28Å; A401-L405 WeakPolarHBondContact O-CG 3.3Å; A401-L405 PolarHBondContact O-N 2.86Å; F402-L405 PolarHBondContact O-N 2.83Å; L405-S407 VanDerWaalsContact C-N 3.35Å; L405-L408 PolarHBondContact O-N 3.18Å; L405-F409 WeakPolarHBondContact O-CB 3.48Å; L405-F409 PolarHBondContact O-N 2.67Å
406	F	95.7	Very high	93.7	Very high	5 Å²	5	61.6 Å²	61.6	2%	0.022	35%	0.349	C	S	.	.	H	α-helix	trans	-66.7	-37.1	176.5	-174.3	-109.1	0	0	0	111.9	Y250 I253 W257 W304 F311 F402 V404 F409 N410	Y250-F406 AromaticContact CD1-CE1 3.65Å; Y250-F406 HydrophobicContact CD1-CE1 3.65Å; Y250-F406 AromaticContact CD1-CZ 3.88Å; Y250-F406 HydrophobicContact CD1-CZ 3.88Å; Y250-F406 AromaticContact CE1-CE1 3.63Å; Y250-F406 HydrophobicContact CE1-CE1 3.63Å; Y250-F406 AromaticContact CE1-CZ 3.83Å; Y250-F406 HydrophobicContact CE1-CZ 3.83Å; I253-F406 HydrophobicContact CD1-CD2 4.41Å; I253-F406 HydrophobicContact CD1-CE1 4.31Å; I253-F406 HydrophobicContact CD1-CE2 3.5Å; I253-F406 VanDerWaalsContact CD1-CE2 3.5Å; I253-F406 HydrophobicContact CD1-CZ 3.43Å; I253-F406 VanDerWaalsContact CD1-CZ 3.43Å; I253-F406 HydrophobicContact CG2-CD1 4.48Å; I253-F406 HydrophobicContact CG2-CE1 4.36Å; I253-F406 HydrophobicContact CG2-CZ 4.4Å; W257-F406 HydrophobicContact CH2-CB 3.97Å; W257-F406 AromaticContact CH2-CD1 3.63Å; W257-F406 HydrophobicContact CH2-CD1 3.63Å; W257-F406 HydrophobicContact CH2-CE1 4.49Å; W257-F406 HydrophobicContact CH2-CG 4.1Å; W257-F406 HydrophobicContact CZ2-CB 3.64Å; W257-F406 AromaticContact CZ2-CD1 3.81Å; W257-F406 HydrophobicContact CZ2-CD1 3.81Å; W257-F406 AromaticContact CZ2-CG 3.84Å; W257-F406 HydrophobicContact CZ2-CG 3.84Å; W304-F406 HydrophobicContact CH2-CE2 4.49Å; W304-F406 AromaticContact CH2-CZ 3.94Å; W304-F406 HydrophobicContact CH2-CZ 3.94Å; W304-F406 HydrophobicContact CZ2-CZ 4.39Å; F311-F406 AromaticContact CD2-CD2 3.79Å; F311-F406 HydrophobicContact CD2-CD2 3.79Å; F311-F406 HydrophobicContact CD2-CE2 4.47Å; F311-F406 HydrophobicContact CE1-CB 4.37Å; F311-F406 AromaticContact CE2-CD2 3.88Å; F311-F406 HydrophobicContact CE2-CD2 3.88Å; F311-F406 HydrophobicContact CG-CD2 4.31Å; F311-F406 HydrophobicContact CZ-CB 4.33Å; F311-F406 HydrophobicContact CZ-CD2 4.44Å; F402-F406 WeakPolarHBondContact O-CB 3.24Å; F402-F406 PolarHBondContact O-N 2.95Å; V404-F406 VanDerWaalsContact C-N 3.32Å; V404-F406 PolarHBondContact O-N 3.1Å; F406-F409 HydrophobicContact CD2-CD1 4.21Å; F406-F409 HydrophobicContact CE2-CD1 4.14Å; F406-F409 WeakPolarHBondContact O-CB 3.3Å; F406-F409 PolarHBondContact O-N 3.1Å; F406-N410 VanDerWaalsContact CD1-ND2 3.28Å; F406-N410 WeakPolarHBondContact CD1-ND2 3.39Å; F406-N410 WeakPolarHBondContact CE1-ND2 3.17Å; F406-N410 VanDerWaalsContact CZ-ND2 3.26Å; F406-N410 WeakPolarHBondContact CZ-ND2 3.4Å; F406-N410 PolarHBondContact O-N 3.49Å; F406-N410 PolarHBondContact O-ND2 3.07Å
407	S	95.3	Very high	93.9	Very high	64 Å²	64	60.4 Å²	60.4	45%	0.448	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-41.9	175.3	-59.5	0	0	0	0	111.9	P403 V404 L405 N410 I411	P403-S407 VanDerWaalsContact O-CB 3.31Å; P403-S407 WeakPolarHBondContact O-CB 3.35Å; P403-S407 PolarHBondContact O-N 2.99Å; P403-S407 PolarHBondContact O-OG 3.22Å; V404-S407 PolarHBondContact O-N 2.97Å; L405-S407 VanDerWaalsContact C-N 3.35Å; S407-N410 WeakPolarHBondContact O-CB 3.49Å; S407-N410 PolarHBondContact O-N 2.6Å; S407-I411 WeakPolarHBondContact O-CG1 3.38Å; S407-I411 PolarHBondContact O-N 3.02Å
408	L	96.6	Very high	93.8	Very high	104 Å²	104	63.8 Å²	63.8	55%	0.545	34%	0.341	S	S	.	.	H	α-helix	trans	-62.5	-43.5	173.7	-69.3	174.9	0	0	0	111.7	V404 L405 N410 I411 A412	V404-L408 HydrophobicContact CG1-CD1 4.31Å; V404-L408 WeakPolarHBondContact O-CG 3.16Å; V404-L408 PolarHBondContact O-N 3Å; L405-L408 PolarHBondContact O-N 3.18Å; L408-N410 VanDerWaalsContact C-N 3.31Å; L408-N410 PolarHBondContact O-N 2.88Å; L408-I411 PolarHBondContact O-N 2.98Å; L408-A412 WeakPolarHBondContact O-CB 3.09Å; L408-A412 PolarHBondContact O-N 3.07Å
409	F	96.8	Very high	93.1	Very high	42 Å²	42	72 Å²	72	18%	0.184	38%	0.376	C	S	.	.	H	α-helix	trans	-57.4	-44.7	173.5	168.5	-103	0	0	0	111.5	W304 A307 F311 L405 F406 A412 Y413	W304-F409 AromaticContact CE3-CE1 3.74Å; W304-F409 HydrophobicContact CE3-CE1 3.74Å; W304-F409 HydrophobicContact CE3-CZ 4.26Å; W304-F409 HydrophobicContact CZ3-CD1 4.44Å; W304-F409 AromaticContact CZ3-CE1 3.77Å; W304-F409 HydrophobicContact CZ3-CE1 3.77Å; A307-F409 HydrophobicContact CB-CD1 4.47Å; A307-F409 HydrophobicContact CB-CD2 4.2Å; A307-F409 HydrophobicContact CB-CE1 3.78Å; A307-F409 HydrophobicContact CB-CE2 3.47Å; A307-F409 VanDerWaalsContact CB-CE2 3.47Å; A307-F409 HydrophobicContact CB-CZ 3.23Å; F311-F409 HydrophobicContact CE2-CB 4.15Å; F311-F409 HydrophobicContact CE2-CD1 4.37Å; F311-F409 HydrophobicContact CE2-CG 4.2Å; F311-F409 HydrophobicContact CZ-CB 4.34Å; L405-F409 WeakPolarHBondContact O-CB 3.48Å; L405-F409 PolarHBondContact O-N 2.67Å; F406-F409 HydrophobicContact CD2-CD1 4.21Å; F406-F409 HydrophobicContact CE2-CD1 4.14Å; F406-F409 WeakPolarHBondContact O-CB 3.3Å; F406-F409 PolarHBondContact O-N 3.1Å; F409-A412 PolarHBondContact O-N 3.08Å; F409-Y413 HydrophobicContact CZ-CD2 4.05Å; F409-Y413 HydrophobicContact CZ-CG 4.39Å; F409-Y413 VanDerWaalsContact O-CB 3.22Å; F409-Y413 WeakPolarHBondContact O-CB 3.43Å; F409-Y413 PolarHBondContact O-N 3.02Å
410	N	96.1	Very high	91.6	Very high	17 Å²	17	74.4 Å²	74.4	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-60.8	-47.3	177.7	-86.9	-77.2	0	0	0	112.6	Y250 W304 F406 S407 L408 A412 Y413 W414	Y250-N410 PolarHBondContact OH-OD1 2.8Å; W304-N410 WeakPolarHBondContact CH2-OD1 3.25Å; W304-N410 WeakPolarHBondContact CZ3-OD1 3.32Å; F406-N410 VanDerWaalsContact CD1-ND2 3.28Å; F406-N410 WeakPolarHBondContact CD1-ND2 3.39Å; F406-N410 WeakPolarHBondContact CE1-ND2 3.17Å; F406-N410 VanDerWaalsContact CZ-ND2 3.26Å; F406-N410 WeakPolarHBondContact CZ-ND2 3.4Å; F406-N410 PolarHBondContact O-N 3.49Å; F406-N410 PolarHBondContact O-ND2 3.07Å; S407-N410 WeakPolarHBondContact O-CB 3.49Å; S407-N410 PolarHBondContact O-N 2.6Å; L408-N410 VanDerWaalsContact C-N 3.31Å; L408-N410 PolarHBondContact O-N 2.88Å; N410-A412 VanDerWaalsContact C-N 3.32Å; N410-A412 PolarHBondContact O-N 3.23Å; N410-Y413 PolarHBondContact O-N 3.22Å; N410-W414 PolarHBondContact O-N 2.79Å
411	I	95.8	Very high	91.6	Very high	120 Å²	120	70.3 Å²	70.3	62%	0.615	38%	0.384	S	S	*	.	H	α-helix	trans	-59.4	-46.4	178	-66.5	165.9	0	0	0	110.1	S407 L408 S415	S407-I411 WeakPolarHBondContact O-CG1 3.38Å; S407-I411 PolarHBondContact O-N 3.02Å; L408-I411 PolarHBondContact O-N 2.98Å; I411-S415 WeakPolarHBondContact O-CB 3.4Å; I411-S415 PolarHBondContact O-N 2.95Å; I411-S415 PolarHBondContact O-OG 3.12Å
412	A	95.7	Very high	91.6	Very high	57 Å²	57	71.5 Å²	71.5	47%	0.471	38%	0.384	S	S	.	.	H	α-helix	trans	-62.3	-46.3	177.2	0	0	0	0	0	112.2	L408 F409 N410 S415 Y416	L408-A412 WeakPolarHBondContact O-CB 3.09Å; L408-A412 PolarHBondContact O-N 3.07Å; F409-A412 PolarHBondContact O-N 3.08Å; N410-A412 VanDerWaalsContact C-N 3.32Å; N410-A412 PolarHBondContact O-N 3.23Å; A412-S415 PolarHBondContact O-OG 3.31Å; A412-S415 VanDerWaalsContact O-OG 3.11Å; A412-Y416 WeakPolarHBondContact O-CB 3.31Å; A412-Y416 PolarHBondContact O-N 2.98Å; A412-Y416 VanDerWaalsContact O-N 3.1Å
413	Y	96.1	Very high	91.5	Very high	8 Å²	8	74 Å²	74	3%	0.031	40%	0.398	C	S	.	.	H	α-helix	trans	-60	-56.3	-179.5	179.5	-92.3	0	0	0	112	Y246 A300 V303 W304 F409 N410 S415 Y416 Y417	Y246-Y413 AromaticContact CE1-CE1 3.78Å; Y246-Y413 HydrophobicContact CE1-CE1 3.78Å; Y246-Y413 PolarHBondContact OH-OH 2.68Å; A300-Y413 VanDerWaalsContact O-CE2 3.27Å; A300-Y413 WeakPolarHBondContact O-CE2 3.41Å; A300-Y413 PolarHBondContact O-OH 2.85Å; V303-Y413 HydrophobicContact CB-CE2 4.49Å; V303-Y413 HydrophobicContact CG1-CD2 4.49Å; W304-Y413 HydrophobicContact CB-CE2 3.83Å; W304-Y413 AromaticContact CE3-CD1 3.84Å; W304-Y413 HydrophobicContact CE3-CD1 3.84Å; W304-Y413 HydrophobicContact CE3-CD2 4.29Å; W304-Y413 AromaticContact CE3-CE1 3.89Å; W304-Y413 HydrophobicContact CE3-CE1 3.89Å; W304-Y413 HydrophobicContact CE3-CE2 4.32Å; W304-Y413 HydrophobicContact CE3-CG 4.06Å; W304-Y413 HydrophobicContact CZ3-CD1 4.21Å; F409-Y413 HydrophobicContact CZ-CD2 4.05Å; F409-Y413 HydrophobicContact CZ-CG 4.39Å; F409-Y413 VanDerWaalsContact O-CB 3.22Å; F409-Y413 WeakPolarHBondContact O-CB 3.43Å; F409-Y413 PolarHBondContact O-N 3.02Å; N410-Y413 PolarHBondContact O-N 3.22Å; Y413-S415 PolarHBondContact O-N 3.41Å; Y413-Y416 PolarHBondContact O-N 2.99Å; Y413-Y417 HydrophobicContact CD1-CD2 4.37Å; Y413-Y417 AromaticContact CD2-CD2 3.64Å; Y413-Y417 HydrophobicContact CD2-CD2 3.64Å; Y413-Y417 AromaticContact CD2-CE2 3.61Å; Y413-Y417 HydrophobicContact CD2-CE2 3.61Å; Y413-Y417 HydrophobicContact CE1-CD2 4.2Å; Y413-Y417 AromaticContact CE2-CD2 3.44Å; Y413-Y417 HydrophobicContact CE2-CD2 3.44Å; Y413-Y417 VanDerWaalsContact CE2-CD2 3.44Å; Y413-Y417 AromaticContact CE2-CE2 3.37Å; Y413-Y417 HydrophobicContact CE2-CE2 3.37Å; Y413-Y417 HydrophobicContact CG-CD2 4.1Å; Y413-Y417 HydrophobicContact CG-CE2 4.47Å; Y413-Y417 AromaticContact CZ-CD2 3.73Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.17Å; Y413-Y417 PolarHBondContact O-N 3.42Å
414	W	94.9	Very high	91.4	Very high	50 Å²	50	76.5 Å²	76.5	19%	0.189	41%	0.41	C	S	.	.	H	α-helix	trans	-69.5	-35.7	-176.4	-69.6	109.2	0	0	0	112.1	L167 Y246 Y250 N410 Y416 M418	L167-W414 HydrophobicContact CD1-CZ3 4.28Å; Y246-W414 AromaticContact CD1-CH2 3.82Å; Y246-W414 HydrophobicContact CD1-CH2 3.82Å; Y246-W414 AromaticContact CD1-CZ2 3.54Å; Y246-W414 HydrophobicContact CD1-CZ2 3.54Å; Y246-W414 AromaticContact CE1-CH2 3.68Å; Y246-W414 HydrophobicContact CE1-CH2 3.68Å; Y246-W414 AromaticContact CE1-CZ2 3.64Å; Y246-W414 HydrophobicContact CE1-CZ2 3.64Å; Y246-W414 HydrophobicContact CE2-CH2 4.5Å; Y246-W414 HydrophobicContact CG-CH2 4.3Å; Y246-W414 HydrophobicContact CG-CZ2 4.27Å; Y250-W414 PolarHBondContact OH-NE1 2.71Å; N410-W414 PolarHBondContact O-N 2.79Å; W414-Y416 VanDerWaalsContact C-N 3.29Å; W414-Y416 PolarHBondContact O-N 3.48Å; W414-M418 HydrophobicContact CB-CE 4.28Å; W414-M418 HydrophobicContact CE3-CG 4.13Å; W414-M418 HydrophobicContact CE3-SD 4.36Å; W414-M418 VanDerWaalsContact O-CB 3.25Å; W414-M418 WeakPolarHBondContact O-CB 3.37Å; W414-M418 WeakPolarHBondContact O-CG 3.36Å; W414-M418 PolarHBondContact O-N 3.22Å
415	S	93.4	Very high	91.2	Very high	58 Å²	58	76 Å²	76	41%	0.406	40%	0.403	S	S	.	.	H	α-helix	trans	-68.2	-28.5	177	64.2	0	0	0	0	113.6	I411 A412 Y413 K419	I411-S415 WeakPolarHBondContact O-CB 3.4Å; I411-S415 PolarHBondContact O-N 2.95Å; I411-S415 PolarHBondContact O-OG 3.12Å; A412-S415 PolarHBondContact O-OG 3.31Å; A412-S415 VanDerWaalsContact O-OG 3.11Å; Y413-S415 PolarHBondContact O-N 3.41Å; S415-K419 WeakPolarHBondContact O-CD 3.44Å; S415-K419 WeakPolarHBondContact O-CG 3.48Å
416	Y	93.8	Very high	90.9	Very high	162 Å²	162	74.7 Å²	74.7	64%	0.635	40%	0.397	S	S	*	.	H	α-helix	trans	-77.8	-52.2	175.4	-177.1	-101	0	0	0	111.4	A412 Y413 W414	A412-Y416 WeakPolarHBondContact O-CB 3.31Å; A412-Y416 PolarHBondContact O-N 2.98Å; A412-Y416 VanDerWaalsContact O-N 3.1Å; Y413-Y416 PolarHBondContact O-N 2.99Å; W414-Y416 VanDerWaalsContact C-N 3.29Å; W414-Y416 PolarHBondContact O-N 3.48Å
417	Y	92.6	Very high	90.6	Very high	27 Å²	27	79.6 Å²	79.6	11%	0.106	42%	0.423	C	S	.	.	H	α-helix	trans	-82.3	-18.8	-172.2	-71.1	-66.6	0	0	0	115.6	A300 V303 Y413	A300-Y417 HydrophobicContact CB-CD1 3.4Å; A300-Y417 HydrophobicContact CB-CD2 3.99Å; A300-Y417 HydrophobicContact CB-CE1 3.25Å; A300-Y417 HydrophobicContact CB-CE2 3.87Å; A300-Y417 HydrophobicContact CB-CG 3.78Å; A300-Y417 VanDerWaalsContact CB-CZ 3.49Å; V303-Y417 WeakPolarHBondContact CG2-OH 3.42Å; Y413-Y417 HydrophobicContact CD1-CD2 4.37Å; Y413-Y417 AromaticContact CD2-CD2 3.64Å; Y413-Y417 HydrophobicContact CD2-CD2 3.64Å; Y413-Y417 AromaticContact CD2-CE2 3.61Å; Y413-Y417 HydrophobicContact CD2-CE2 3.61Å; Y413-Y417 HydrophobicContact CE1-CD2 4.2Å; Y413-Y417 AromaticContact CE2-CD2 3.44Å; Y413-Y417 HydrophobicContact CE2-CD2 3.44Å; Y413-Y417 VanDerWaalsContact CE2-CD2 3.44Å; Y413-Y417 AromaticContact CE2-CE2 3.37Å; Y413-Y417 HydrophobicContact CE2-CE2 3.37Å; Y413-Y417 HydrophobicContact CG-CD2 4.1Å; Y413-Y417 HydrophobicContact CG-CE2 4.47Å; Y413-Y417 AromaticContact CZ-CD2 3.73Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.17Å; Y413-Y417 PolarHBondContact O-N 3.42Å
418	M	87.1	Confident	90.2	Very high	128 Å²	128	80.8 Å²	80.8	63%	0.631	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-13.7	172.2	-68.3	-163	-58.8	0	0	113.8	L167 W414	L167-M418 HydrophobicContact CD1-CG 4.18Å; W414-M418 HydrophobicContact CB-CE 4.28Å; W414-M418 HydrophobicContact CE3-CG 4.13Å; W414-M418 HydrophobicContact CE3-SD 4.36Å; W414-M418 VanDerWaalsContact O-CB 3.25Å; W414-M418 WeakPolarHBondContact O-CB 3.37Å; W414-M418 WeakPolarHBondContact O-CG 3.36Å; W414-M418 PolarHBondContact O-N 3.22Å
419	K	76.6	Confident	89.7	Confident	184 Å²	184	78.9 Å²	78.9	80%	0.8	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-20.8	177.2	-73.3	-174	-178.3	-179.2	0	113.1	S415	S415-K419 WeakPolarHBondContact O-CD 3.44Å; S415-K419 WeakPolarHBondContact O-CG 3.48Å
420	A	57.7	Low	89.1	Confident	94 Å²	94	82.3 Å²	82.3	78%	0.777	43%	0.432	S	S	*	.			trans	-76.2	0	169.1	0	0	0	0	0	108.8

Retrieved 420 of 420 residues in 755.3 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).