A0A077Z4K5_TRITR Loading...

Transmembrane protein 127 transmembrane region domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z4K5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 275 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	45.9	Very low	237 Å²	237	137.4 Å²	137.4	100%	1.167	77%	0.766	S	S	*	*				0	88.1	0	-69.5	178.6	-166.9	0	0	107.6
2	V	43.4	Very low	45.8	Very low	147 Å²	147	136.4 Å²	136.4	89%	0.891	76%	0.757	S	S	*	*			trans	-93.5	97.5	167.7	177.4	0	0	0	0	104.3	E4	V2-E4 PolarHBondContact O-N 3.24Å
3	Q	39.9	Very low	45.7	Very low	178 Å²	178	140.7 Å²	140.7	83%	0.832	76%	0.755	S	S	*	*			trans	-70.8	113.9	173.8	-92.8	-179.8	-53.3	0	0	108.2	Q5	Q3-Q5 VanDerWaalsContact C-N 3.31Å; Q3-Q5 PolarHBondContact O-N 3.49Å
4	E	45.3	Very low	45.7	Very low	178 Å²	178	144.6 Å²	144.6	83%	0.832	75%	0.754	S	S	*	*			trans	-65.8	83.3	173.5	-155.3	174.5	131.9	0	0	109.5	V2 S6	V2-E4 PolarHBondContact O-N 3.24Å; E4-S6 PolarHBondContact O-N 2.88Å
5	Q	43.2	Very low	45.6	Very low	197 Å²	197	142.5 Å²	142.5	92%	0.921	74%	0.744	S	S	*	*			trans	-86.9	77.1	167.8	-98.1	-172	-29.6	0	0	109.3	Q3	Q3-Q5 VanDerWaalsContact C-N 3.31Å; Q3-Q5 PolarHBondContact O-N 3.49Å
6	S	45.9	Very low	45.5	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	73%	0.733	S	S	*	*			trans	-147.4	34	166.8	-157.3	0	0	0	0	114	E4	E4-S6 PolarHBondContact O-N 2.88Å
7	E	47.9	Very low	45.6	Very low	173 Å²	173	132.6 Å²	132.6	81%	0.808	70%	0.703	S	S	*	*			trans	-97.1	5	172.7	-74.9	-171.8	128.5	0	0	114	P10	E7-P10 WeakPolarHBondContact O-CD 3.32Å
8	G	44.6	Very low	46	Very low	66 Å²	66	133.7 Å²	133.7	68%	0.68	70%	0.703	S	S	*	*	S	Bend	trans	-85.5	-14.4	-173.6	0	0	0	0	0	116.9
9	A	50.3	Low	46.3	Very low	58 Å²	58	133.6 Å²	133.6	48%	0.479	70%	0.702	S	S	.	*	S	Bend	trans	-89.4	-28.1	-172	0	0	0	0	0	117.5	T11	A9-T11 PolarHBondContact O-N 3.43Å
10	P	53.2	Low	46.9	Very low	84 Å²	84	132.7 Å²	132.7	55%	0.545	69%	0.692	S	S	.	*	H	α-helix	trans	-76.5	-24.6	-167.3	25.7	-31.1	0	0	0	115	E7 R14	E7-P10 WeakPolarHBondContact O-CD 3.32Å; P10-R14 PolarHBondContact O-N 2.93Å
11	T	52.3	Low	47.3	Very low	91 Å²	91	128.2 Å²	128.2	56%	0.558	67%	0.672	S	S	*	*	H	α-helix	trans	-80.9	-41.3	-173.9	54.5	0	0	0	0	113.1	A9 W13 R14 N15	A9-T11 PolarHBondContact O-N 3.43Å; T11-W13 VanDerWaalsContact C-N 3.33Å; T11-W13 PolarHBondContact O-N 2.74Å; T11-R14 PolarHBondContact O-N 3Å; T11-N15 PolarHBondContact O-N 2.95Å
12	L	44.5	Very low	48.7	Very low	126 Å²	126	120.1 Å²	120.1	66%	0.66	64%	0.639	S	S	*	*	H	α-helix	trans	-68	-35.6	-177.9	-146.3	130.4	0	0	0	111.6	C16	L12-C16 PolarHBondContact O-N 2.63Å
13	W	43.9	Very low	50.1	Low	192 Å²	192	115.4 Å²	115.4	73%	0.727	61%	0.612	S	S	*	*	H	α-helix	trans	-70.3	-36.9	174.2	-77	78.5	0	0	0	113.1	T11 C17	T11-W13 VanDerWaalsContact C-N 3.33Å; T11-W13 PolarHBondContact O-N 2.74Å; W13-C17 VanDerWaalsContact O-CB 3.26Å; W13-C17 WeakPolarHBondContact O-CB 3.25Å; W13-C17 PolarHBondContact O-N 2.89Å; W13-C17 VanDerWaalsContact O-N 3.08Å; W13-C17 PolarHBondContact O-SG 2.89Å
14	R	46.4	Very low	51.6	Low	196 Å²	196	109.7 Å²	109.7	74%	0.74	58%	0.583	S	S	*	*	H	α-helix	trans	-62.2	-44.3	174.2	-106.6	-174.4	-170	-174.5	5.6	112.1	P10 T11 C17 H18	P10-R14 PolarHBondContact O-N 2.93Å; T11-R14 PolarHBondContact O-N 3Å; R14-C17 WeakPolarHBondContact O-CB 3.18Å; R14-C17 PolarHBondContact O-N 3.02Å; R14-H18 PolarHBondContact O-N 2.88Å
15	N	43.3	Very low	53	Low	113 Å²	113	101.8 Å²	101.8	60%	0.604	55%	0.548	S	S	*	.	H	α-helix	trans	-70.8	-44	-176.4	-70.5	-13.2	0	0	0	112.3	T11 C17 H18 L19	T11-N15 PolarHBondContact O-N 2.95Å; N15-C17 VanDerWaalsContact C-N 3.26Å; N15-C17 PolarHBondContact O-N 3Å; N15-H18 PolarHBondContact O-N 2.67Å; N15-L19 PolarHBondContact O-N 2.74Å; N15-L19 VanDerWaalsContact O-N 3.14Å
16	C	45.2	Very low	55	Low	84 Å²	84	98 Å²	98	57%	0.568	53%	0.533	S	S	*	.	H	α-helix	trans	-60	-37.1	171.7	-93.2	0	0	0	0	112.1	L12 L19 K20	L12-C16 PolarHBondContact O-N 2.63Å; C16-L19 PolarHBondContact O-N 3.26Å; C16-K20 WeakPolarHBondContact O-CB 3.35Å; C16-K20 PolarHBondContact O-N 2.87Å
17	C	47.2	Very low	57	Low	33 Å²	33	96.3 Å²	96.3	22%	0.223	52%	0.515	C	S	.	.	H	α-helix	trans	-66.7	-43	178.7	-81.6	0	0	0	0	113.4	W13 R14 N15 L19 K20 C21 K222	W13-C17 VanDerWaalsContact O-CB 3.26Å; W13-C17 WeakPolarHBondContact O-CB 3.25Å; W13-C17 PolarHBondContact O-N 2.89Å; W13-C17 VanDerWaalsContact O-N 3.08Å; W13-C17 PolarHBondContact O-SG 2.89Å; R14-C17 WeakPolarHBondContact O-CB 3.18Å; R14-C17 PolarHBondContact O-N 3.02Å; N15-C17 VanDerWaalsContact C-N 3.26Å; N15-C17 PolarHBondContact O-N 3Å; C17-L19 VanDerWaalsContact C-N 3.33Å; C17-K20 PolarHBondContact O-N 2.86Å; C17-C21 PolarHBondContact O-N 3.09Å; C17-K222 PolarHBondContact SG-NZ 3.14Å
18	H	52.2	Low	58.9	Low	152 Å²	152	88.2 Å²	88.2	70%	0.704	48%	0.478	S	S	*	.	H	α-helix	trans	-66.1	-39.5	177.7	-124.2	-75.7	0	0	0	111	R14 N15 S22	R14-H18 PolarHBondContact O-N 2.88Å; N15-H18 PolarHBondContact O-N 2.67Å; H18-S22 WeakPolarHBondContact O-CB 3.32Å; H18-S22 PolarHBondContact O-N 3.2Å; H18-S22 VanDerWaalsContact O-N 3.14Å
19	L	52.1	Low	61.1	Low	132 Å²	132	86.3 Å²	86.3	69%	0.691	45%	0.453	S	S	*	.	H	α-helix	trans	-62.3	-46.5	174	-110.9	74.8	0	0	0	112.1	N15 C16 C17 S22 S23	N15-L19 PolarHBondContact O-N 2.74Å; N15-L19 VanDerWaalsContact O-N 3.14Å; C16-L19 PolarHBondContact O-N 3.26Å; C17-L19 VanDerWaalsContact C-N 3.33Å; L19-S22 WeakPolarHBondContact O-CB 3.42Å; L19-S22 PolarHBondContact O-N 3.35Å; L19-S23 WeakPolarHBondContact O-CB 3.44Å; L19-S23 PolarHBondContact O-N 2.96Å
20	K	57.5	Low	63	Low	114 Å²	114	85.5 Å²	85.5	50%	0.496	45%	0.446	S	S	.	.	H	α-helix	trans	-73.4	-36.6	-174.5	-163	130.9	-177.9	178.3	0	113.1	C16 C17 S22 S23 Y24	C16-K20 WeakPolarHBondContact O-CB 3.35Å; C16-K20 PolarHBondContact O-N 2.87Å; C17-K20 PolarHBondContact O-N 2.86Å; K20-S22 VanDerWaalsContact C-N 3.34Å; K20-S23 PolarHBondContact O-N 2.98Å; K20-S23 PolarHBondContact O-OG 2.88Å; K20-Y24 WeakPolarHBondContact CE-OH 3.44Å; K20-Y24 HydrophobicContact CG-CD2 4.27Å; K20-Y24 HydrophobicContact CG-CE2 3.62Å; K20-Y24 WeakPolarHBondContact O-CD2 3.43Å; K20-Y24 PolarHBondContact O-N 2.84Å
21	C	56.6	Low	65	Low	40 Å²	40	84.5 Å²	84.5	27%	0.27	43%	0.434	S	S	.	.	H	α-helix	trans	-70.6	-34.7	174.8	-148.6	0	0	0	0	111.8	C17 S25	C17-C21 PolarHBondContact O-N 3.09Å; C21-S25 PolarHBondContact O-N 3.08Å
22	S	67.7	Low	66.9	Low	67 Å²	67	80.4 Å²	80.4	47%	0.469	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-44.9	171.2	-178.9	0	0	0	0	111.5	H18 L19 K20 Y24 S25 L26	H18-S22 WeakPolarHBondContact O-CB 3.32Å; H18-S22 PolarHBondContact O-N 3.2Å; H18-S22 VanDerWaalsContact O-N 3.14Å; L19-S22 WeakPolarHBondContact O-CB 3.42Å; L19-S22 PolarHBondContact O-N 3.35Å; K20-S22 VanDerWaalsContact C-N 3.34Å; S22-Y24 PolarHBondContact O-N 2.82Å; S22-S25 VanDerWaalsContact O-CB 3.31Å; S22-S25 WeakPolarHBondContact O-CB 3.32Å; S22-S25 PolarHBondContact O-N 3Å; S22-S25 VanDerWaalsContact O-N 3.11Å; S22-L26 PolarHBondContact O-N 3.47Å
23	S	73	Confident	69.3	Low	47 Å²	47	78.6 Å²	78.6	33%	0.329	40%	0.4	S	S	.	.	H	α-helix	trans	-63.8	-41.1	-178.1	69.4	0	0	0	0	113.3	L19 K20 S25 L26 I27	L19-S23 WeakPolarHBondContact O-CB 3.44Å; L19-S23 PolarHBondContact O-N 2.96Å; K20-S23 PolarHBondContact O-N 2.98Å; K20-S23 PolarHBondContact O-OG 2.88Å; S23-S25 VanDerWaalsContact C-N 3.3Å; S23-S25 PolarHBondContact O-N 3.26Å; S23-L26 PolarHBondContact O-N 3.1Å; S23-I27 VanDerWaalsContact O-CG1 3.24Å; S23-I27 WeakPolarHBondContact O-CG1 3.36Å; S23-I27 PolarHBondContact O-N 3.3Å
24	Y	71.7	Confident	71.8	Confident	59 Å²	59	73.7 Å²	73.7	23%	0.231	39%	0.387	C	S	.	.	H	α-helix	trans	-64.4	-34.5	174.5	-69.9	-66.8	0	0	0	112.7	K20 S22 L26 S28 V214	K20-Y24 WeakPolarHBondContact CE-OH 3.44Å; K20-Y24 HydrophobicContact CG-CD2 4.27Å; K20-Y24 HydrophobicContact CG-CE2 3.62Å; K20-Y24 WeakPolarHBondContact O-CD2 3.43Å; K20-Y24 PolarHBondContact O-N 2.84Å; S22-Y24 PolarHBondContact O-N 2.82Å; Y24-L26 VanDerWaalsContact C-N 3.34Å; Y24-S28 PolarHBondContact O-N 2.95Å; Y24-V214 HydrophobicContact CE1-CG1 4.43Å
25	S	75.2	Confident	74.1	Confident	12 Å²	12	64.4 Å²	64.4	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-43.7	174.1	-141.1	0	0	0	0	111.3	C21 S22 S23 T29 S133 K215	C21-S25 PolarHBondContact O-N 3.08Å; S22-S25 VanDerWaalsContact O-CB 3.31Å; S22-S25 WeakPolarHBondContact O-CB 3.32Å; S22-S25 PolarHBondContact O-N 3Å; S22-S25 VanDerWaalsContact O-N 3.11Å; S23-S25 VanDerWaalsContact C-N 3.3Å; S23-S25 PolarHBondContact O-N 3.26Å; S25-T29 VanDerWaalsContact O-CB 3.29Å; S25-T29 WeakPolarHBondContact O-CB 3.35Å; S25-T29 PolarHBondContact O-N 3.28Å; S25-T29 PolarHBondContact O-OG1 3.45Å; S25-S133 PolarHBondContact OG-O 2.94Å; S25-K215 VanDerWaalsContact CB-NZ 3.27Å; S25-K215 PolarHBondContact OG-NZ 3.1Å
26	L	84.8	Confident	76.6	Confident	118 Å²	118	59.6 Å²	59.6	62%	0.618	33%	0.326	S	S	*	.	H	α-helix	trans	-64.5	-44.2	178.8	-171.1	151.1	0	0	0	111.2	S22 S23 Y24 T29 A30	S22-L26 PolarHBondContact O-N 3.47Å; S23-L26 PolarHBondContact O-N 3.1Å; Y24-L26 VanDerWaalsContact C-N 3.34Å; L26-T29 PolarHBondContact O-N 3.16Å; L26-A30 VanDerWaalsContact O-CB 3.29Å; L26-A30 WeakPolarHBondContact O-CB 3.24Å; L26-A30 PolarHBondContact O-N 3.18Å
27	I	88.2	Confident	79	Confident	66 Å²	66	58 Å²	58	34%	0.338	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-48.3	179	-67.6	163.3	0	0	0	111.3	S23 T29 A30 F31	S23-I27 VanDerWaalsContact O-CG1 3.24Å; S23-I27 WeakPolarHBondContact O-CG1 3.36Å; S23-I27 PolarHBondContact O-N 3.3Å; I27-T29 VanDerWaalsContact C-N 3.34Å; I27-T29 PolarHBondContact O-N 2.74Å; I27-A30 PolarHBondContact O-N 2.95Å; I27-F31 HydrophobicContact CG2-CD2 3.64Å; I27-F31 HydrophobicContact CG2-CE2 3.38Å; I27-F31 VanDerWaalsContact O-CD2 3.23Å; I27-F31 WeakPolarHBondContact O-CD2 3.25Å; I27-F31 PolarHBondContact O-N 3.29Å
28	S	87.7	Confident	81.3	Confident	3 Å²	3	57 Å²	57	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-42.5	178.6	-177.1	0	0	0	0	111.7	Y24 A30 F31 G32 A208 N212	Y24-S28 PolarHBondContact O-N 2.95Å; S28-A30 VanDerWaalsContact C-N 3.35Å; S28-A30 PolarHBondContact O-N 3.17Å; S28-F31 PolarHBondContact O-N 3.41Å; S28-G32 PolarHBondContact O-N 2.78Å; S28-A208 PolarHBondContact OG-O 3.22Å; S28-N212 WeakPolarHBondContact CB-OD1 3.13Å; S28-N212 PolarHBondContact OG-ND2 3.43Å; S28-N212 PolarHBondContact OG-OD1 3.29Å
29	T	89.3	Confident	83.4	Confident	25 Å²	25	50.1 Å²	50.1	15%	0.153	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-43.2	176.1	-55.8	0	0	0	0	111.1	S25 L26 I27 G32 L33 V130 A134	S25-T29 VanDerWaalsContact O-CB 3.29Å; S25-T29 WeakPolarHBondContact O-CB 3.35Å; S25-T29 PolarHBondContact O-N 3.28Å; S25-T29 PolarHBondContact O-OG1 3.45Å; L26-T29 PolarHBondContact O-N 3.16Å; I27-T29 VanDerWaalsContact C-N 3.34Å; I27-T29 PolarHBondContact O-N 2.74Å; T29-G32 PolarHBondContact O-N 3.26Å; T29-L33 HydrophobicContact CG2-CD1 4.21Å; T29-L33 WeakPolarHBondContact O-CG 3.29Å; T29-L33 PolarHBondContact O-N 3.1Å; T29-V130 HydrophobicContact CG2-CG1 4.09Å; T29-A134 HydrophobicContact CG2-CB 4.49Å
30	A	91.9	Very high	85.4	Confident	42 Å²	42	46.5 Å²	46.5	35%	0.347	27%	0.268	S	S	.	.	H	α-helix	trans	-62.1	-47.2	177.9	0	0	0	0	0	112.1	L26 I27 S28 G32 L33 L34	L26-A30 VanDerWaalsContact O-CB 3.29Å; L26-A30 WeakPolarHBondContact O-CB 3.24Å; L26-A30 PolarHBondContact O-N 3.18Å; I27-A30 PolarHBondContact O-N 2.95Å; S28-A30 VanDerWaalsContact C-N 3.35Å; S28-A30 PolarHBondContact O-N 3.17Å; A30-G32 VanDerWaalsContact C-N 3.33Å; A30-G32 PolarHBondContact O-N 3.1Å; A30-L33 PolarHBondContact O-N 3.28Å; A30-L34 WeakPolarHBondContact O-CG 3.19Å; A30-L34 PolarHBondContact O-N 2.04Å
31	F	93.7	Very high	87.2	Confident	63 Å²	63	43 Å²	43	28%	0.276	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-39.2	175	-75.3	-56.7	0	0	0	112.4	I27 S28 L34 A35 F204 C207 A208	I27-F31 HydrophobicContact CG2-CD2 3.64Å; I27-F31 HydrophobicContact CG2-CE2 3.38Å; I27-F31 VanDerWaalsContact O-CD2 3.23Å; I27-F31 WeakPolarHBondContact O-CD2 3.25Å; I27-F31 PolarHBondContact O-N 3.29Å; S28-F31 PolarHBondContact O-N 3.41Å; F31-L34 PolarHBondContact O-N 2.99Å; F31-A35 WeakPolarHBondContact O-CB 3.09Å; F31-A35 PolarHBondContact O-N 3.47Å; F31-F204 AromaticContact CD1-CD1 3.94Å; F31-F204 HydrophobicContact CD1-CD1 3.94Å; F31-F204 HydrophobicContact CE1-CD1 4.41Å; F31-C207 HydrophobicContact CD1-CB 4.18Å; F31-C207 HydrophobicContact CD2-CB 4.14Å; F31-C207 HydrophobicContact CE1-CB 4.39Å; F31-C207 HydrophobicContact CE2-CB 4.34Å; F31-C207 HydrophobicContact CG-CB 4.07Å; F31-C207 HydrophobicContact CZ-CB 4.47Å; F31-A208 HydrophobicContact CB-CB 3.82Å
32	G	92.9	Very high	89	Confident	4 Å²	4	41.1 Å²	41.1	4%	0.041	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-41.9	174.6	0	0	0	0	0	112.8	S28 T29 A30 A35 I36	S28-G32 PolarHBondContact O-N 2.78Å; T29-G32 PolarHBondContact O-N 3.26Å; A30-G32 VanDerWaalsContact C-N 3.33Å; A30-G32 PolarHBondContact O-N 3.1Å; G32-A35 PolarHBondContact O-N 3.04Å; G32-I36 VanDerWaalsContact O-CG1 3.28Å; G32-I36 WeakPolarHBondContact O-CG1 3.47Å; G32-I36 PolarHBondContact O-N 3.36Å
33	L	94.6	Very high	90.2	Very high	89 Å²	89	38.5 Å²	38.5	47%	0.466	23%	0.228	S	C	.	.	H	α-helix	trans	-67.2	-41.2	176.3	-71.6	172.3	0	0	0	112.4	T29 A30 A35 I36 A37 V130	T29-L33 HydrophobicContact CG2-CD1 4.21Å; T29-L33 WeakPolarHBondContact O-CG 3.29Å; T29-L33 PolarHBondContact O-N 3.1Å; A30-L33 PolarHBondContact O-N 3.28Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.06Å; L33-I36 PolarHBondContact O-N 3.19Å; L33-A37 WeakPolarHBondContact O-CB 3.4Å; L33-A37 PolarHBondContact O-N 3.49Å; L33-V130 HydrophobicContact CD2-CG1 4.09Å; L33-V130 HydrophobicContact CG-CG1 4.32Å
34	L	96.2	Very high	91.1	Very high	89 Å²	89	39.6 Å²	39.6	47%	0.466	24%	0.24	S	C	.	.	H	α-helix	trans	-62.4	-39.9	174.6	-72.8	172.8	0	0	0	111.8	A30 F31 A37 A38 F204	A30-L34 WeakPolarHBondContact O-CG 3.19Å; A30-L34 PolarHBondContact O-N 2.04Å; F31-L34 PolarHBondContact O-N 2.99Å; L34-A37 PolarHBondContact O-N 3.39Å; L34-A38 WeakPolarHBondContact O-CB 3.19Å; L34-A38 PolarHBondContact O-N 2.97Å; L34-F204 HydrophobicContact CB-CD2 4.21Å; L34-F204 HydrophobicContact CB-CE2 4.42Å; L34-F204 HydrophobicContact CB-CG 4.32Å
35	A	95.1	Very high	92	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-42.6	175.8	0	0	0	0	0	112.2	F31 G32 L33 A38 L39 F204 F205	F31-A35 WeakPolarHBondContact O-CB 3.09Å; F31-A35 PolarHBondContact O-N 3.47Å; G32-A35 PolarHBondContact O-N 3.04Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.06Å; A35-A38 PolarHBondContact O-N 3.44Å; A35-L39 PolarHBondContact O-N 3.47Å; A35-F204 HydrophobicContact CB-CB 3.62Å; A35-F205 HydrophobicContact CB-CD1 3.35Å; A35-F205 HydrophobicContact CB-CD2 4.04Å; A35-F205 HydrophobicContact CB-CE1 3.21Å; A35-F205 HydrophobicContact CB-CE2 3.89Å; A35-F205 HydrophobicContact CB-CG 3.79Å; A35-F205 HydrophobicContact CB-CZ 3.49Å; A35-F205 VanDerWaalsContact CB-CZ 3.49Å
36	I	95.5	Very high	92.4	Very high	12 Å²	12	45 Å²	45	6%	0.062	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-43.1	175.1	-70.5	166.9	0	0	0	110.8	G32 L33 L39 S40 L123 A126 F127 V130	G32-I36 VanDerWaalsContact O-CG1 3.28Å; G32-I36 WeakPolarHBondContact O-CG1 3.47Å; G32-I36 PolarHBondContact O-N 3.36Å; L33-I36 PolarHBondContact O-N 3.19Å; I36-L39 PolarHBondContact O-N 2.96Å; I36-S40 WeakPolarHBondContact O-CB 3.01Å; I36-S40 PolarHBondContact O-N 3.38Å; I36-S40 PolarHBondContact O-OG 3.35Å; I36-L123 HydrophobicContact CB-CD1 4.43Å; I36-L123 HydrophobicContact CG1-CD1 4.49Å; I36-L123 HydrophobicContact CG2-CD1 3.87Å; I36-A126 HydrophobicContact CD1-CB 4.15Å; I36-A126 HydrophobicContact CG1-CB 3.78Å; I36-F127 HydrophobicContact CD1-CD1 3.84Å; I36-F127 HydrophobicContact CD1-CE1 4.04Å; I36-F127 HydrophobicContact CD1-CG 4.18Å; I36-F127 HydrophobicContact CG2-CE1 3.77Å; I36-F127 HydrophobicContact CG2-CE2 3.93Å; I36-F127 HydrophobicContact CG2-CZ 3.42Å; I36-F127 VanDerWaalsContact CG2-CZ 3.42Å; I36-V130 HydrophobicContact CD1-CB 4.45Å; I36-V130 HydrophobicContact CD1-CG2 3.81Å
37	A	96.4	Very high	92.6	Very high	52 Å²	52	41.1 Å²	41.1	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-43.8	175.6	0	0	0	0	0	111.4	L33 L34 S40 A41	L33-A37 WeakPolarHBondContact O-CB 3.4Å; L33-A37 PolarHBondContact O-N 3.49Å; L34-A37 PolarHBondContact O-N 3.39Å; A37-S40 WeakPolarHBondContact CA-OG 3.31Å; A37-S40 PolarHBondContact O-N 3.35Å; A37-S40 PolarHBondContact O-OG 2.92Å; A37-A41 VanDerWaalsContact O-CB 3.3Å; A37-A41 WeakPolarHBondContact O-CB 3.42Å; A37-A41 PolarHBondContact O-N 3.35Å
38	A	95.7	Very high	92.8	Very high	12 Å²	12	38 Å²	38	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-66.5	-40.4	177.2	0	0	0	0	0	112.9	L34 A35 A41 S42 A201	L34-A38 WeakPolarHBondContact O-CB 3.19Å; L34-A38 PolarHBondContact O-N 2.97Å; A35-A38 PolarHBondContact O-N 3.44Å; A38-A41 PolarHBondContact O-N 3.3Å; A38-S42 PolarHBondContact O-N 3.05Å; A38-A201 HydrophobicContact CB-CB 3.81Å
39	L	95.1	Very high	93.1	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-40.8	173.8	-82.1	-171.4	0	0	0	112.8	A35 I36 S42 L43 T122 L123 I198 A201 F205	A35-L39 PolarHBondContact O-N 3.47Å; I36-L39 PolarHBondContact O-N 2.96Å; L39-S42 PolarHBondContact O-N 3.04Å; L39-S42 PolarHBondContact O-OG 3.31Å; L39-L43 PolarHBondContact O-N 3.43Å; L39-T122 HydrophobicContact CD1-CG2 3.96Å; L39-L123 HydrophobicContact CB-CD1 4.23Å; L39-L123 HydrophobicContact CD1-CD1 4.39Å; L39-I198 HydrophobicContact CD2-CG2 4.41Å; L39-A201 HydrophobicContact CD2-CB 3.79Å; L39-A201 HydrophobicContact CG-CB 3.72Å; L39-F205 HydrophobicContact CD1-CE2 3.56Å; L39-F205 HydrophobicContact CD1-CZ 3.73Å; L39-F205 HydrophobicContact CG-CE2 4.03Å; L39-F205 HydrophobicContact CG-CZ 4.36Å
40	S	94.6	Very high	93.2	Very high	56 Å²	56	39.8 Å²	39.8	39%	0.392	23%	0.234	S	C	.	.	H	α-helix	trans	-70	-35.8	177.3	50.9	0	0	0	0	111.7	I36 A37 L43 A44	I36-S40 WeakPolarHBondContact O-CB 3.01Å; I36-S40 PolarHBondContact O-N 3.38Å; I36-S40 PolarHBondContact O-OG 3.35Å; A37-S40 WeakPolarHBondContact CA-OG 3.31Å; A37-S40 PolarHBondContact O-N 3.35Å; A37-S40 PolarHBondContact O-OG 2.92Å; S40-L43 PolarHBondContact O-N 3.17Å; S40-A44 PolarHBondContact O-N 2.94Å
41	A	95.1	Very high	93.1	Very high	41 Å²	41	38 Å²	38	34%	0.339	22%	0.218	S	C	.	.	H	α-helix	trans	-64.2	-42.4	171.2	0	0	0	0	0	111.9	A37 A38 L43 A44 E45 L197	A37-A41 VanDerWaalsContact O-CB 3.3Å; A37-A41 WeakPolarHBondContact O-CB 3.42Å; A37-A41 PolarHBondContact O-N 3.35Å; A38-A41 PolarHBondContact O-N 3.3Å; A41-L43 VanDerWaalsContact C-N 3.28Å; A41-L43 PolarHBondContact O-N 2.99Å; A41-A44 PolarHBondContact O-N 2.94Å; A41-E45 PolarHBondContact O-N 3.44Å; A41-L197 HydrophobicContact CB-CD1 4.13Å
42	S	94	Very high	92.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-37.5	178	74.7	0	0	0	0	112.1	A38 L39 A44 E45 W48 G194	A38-S42 PolarHBondContact O-N 3.05Å; L39-S42 PolarHBondContact O-N 3.04Å; L39-S42 PolarHBondContact O-OG 3.31Å; S42-A44 VanDerWaalsContact C-N 3.34Å; S42-E45 PolarHBondContact O-N 2.95Å; S42-W48 WeakPolarHBondContact O-CZ2 3.32Å; S42-W48 PolarHBondContact O-NE1 3.47Å; S42-G194 WeakPolarHBondContact CB-O 3.33Å
43	L	93.2	Very high	92.5	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.063	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-37.9	172.5	-77.5	176.7	0	0	0	112.4	L39 S40 A41 E45 L63 Y67 I119 F120	L39-L43 PolarHBondContact O-N 3.43Å; S40-L43 PolarHBondContact O-N 3.17Å; A41-L43 VanDerWaalsContact C-N 3.28Å; A41-L43 PolarHBondContact O-N 2.99Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-L63 HydrophobicContact CD2-CD1 3.9Å; L43-Y67 WeakPolarHBondContact CA-OH 3.45Å; L43-Y67 VanDerWaalsContact CB-OH 3.24Å; L43-Y67 WeakPolarHBondContact CB-OH 3.45Å; L43-Y67 HydrophobicContact CD2-CE1 4.49Å; L43-Y67 WeakPolarHBondContact CD2-OH 3.44Å; L43-Y67 PolarHBondContact O-OH 3.37Å; L43-I119 HydrophobicContact CD1-CG2 3.84Å; L43-I119 HydrophobicContact CD2-CB 4.23Å; L43-I119 HydrophobicContact CD2-CD1 4.13Å; L43-I119 HydrophobicContact CD2-CG2 3.79Å; L43-I119 HydrophobicContact CG-CG2 3.81Å; L43-F120 HydrophobicContact CD1-CE1 4.36Å; L43-F120 HydrophobicContact CD1-CZ 4.43Å
44	A	92.7	Very high	91.9	Very high	70 Å²	70	36.6 Å²	36.6	58%	0.579	23%	0.229	S	C	*	.	H	α-helix	trans	-71.4	-29.9	178.9	0	0	0	0	0	112.6	S40 A41 S42	S40-A44 PolarHBondContact O-N 2.94Å; A41-A44 PolarHBondContact O-N 2.94Å; S42-A44 VanDerWaalsContact C-N 3.34Å
45	E	90.1	Very high	91.2	Very high	65 Å²	65	36.5 Å²	36.5	30%	0.304	23%	0.226	S	C	.	.			trans	-69.6	139.8	-171.7	-156.3	52	-106.8	0	0	113.4	A41 S42 L43 D47 E193	A41-E45 PolarHBondContact O-N 3.44Å; S42-E45 PolarHBondContact O-N 2.95Å; L43-E45 VanDerWaalsContact C-N 3.32Å; E45-D47 HydrophobicContact CG-CB 4.4Å; E45-E193 HydrophobicContact CG-CB 4.35Å
46	Q	83.5	Confident	90.6	Very high	118 Å²	118	37.2 Å²	37.2	55%	0.551	23%	0.231	S	C	*	.	S	Bend	trans	-87.9	-9.9	179.1	-68	-178.3	31.5	0	0	112.9	L61 G62 S64	Q46-L61 CarbonylContact O-C 3.55Å; Q46-G62 WeakPolarHBondContact O-CA 3.39Å; Q46-G62 PolarHBondContact O-N 3.36Å; Q46-S64 WeakPolarHBondContact CG-OG 3.44Å
47	D	89.8	Confident	90	Very high	37 Å²	37	41.3 Å²	41.3	20%	0.198	26%	0.258	C	S	.	.			trans	-110.4	69.7	-167.5	-73.5	7.6	0	0	0	111.2	E45 H60 G192 E193 G194	E45-D47 HydrophobicContact CG-CB 4.4Å; D47-H60 WeakPolarHBondContact OD1-CB 3.3Å; D47-H60 IonicContact OD1-CG 3.83Å; D47-H60 IonicContact OD1-ND1 3.22Å; D47-H60 PolarHBondContact OD1-ND1 3.29Å; D47-H60 IonicContact OD2-CE1 3.77Å; D47-H60 PolarHBondContact OD2-CE1 3.2Å; D47-H60 IonicContact OD2-CG 2.63Å; D47-H60 IonicContact OD2-ND1 3.76Å; D47-H60 PolarHBondContact OD2-ND1 3.45Å; D47-G192 CarbonylContact O-C 3.1Å; D47-G192 VanDerWaalsContact O-CA 3.23Å; D47-G192 WeakPolarHBondContact O-CA 3.38Å; D47-E193 PolarHBondContact O-N 3.13Å; D47-G194 PolarHBondContact O-N 3.29Å
48	W	92.5	Very high	89.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-86	-43.5	175.2	-80.2	56.5	0	0	0	112.3	S42 L61 L63 L115 I119 G192 I198	S42-W48 WeakPolarHBondContact O-CZ2 3.32Å; S42-W48 PolarHBondContact O-NE1 3.47Å; W48-L61 WeakPolarHBondContact CA-O 3.35Å; W48-L61 VanDerWaalsContact CB-O 3.3Å; W48-L61 WeakPolarHBondContact CB-O 3.46Å; W48-L61 PolarHBondContact N-O 3.44Å; W48-L63 HydrophobicContact CD2-CD1 4.09Å; W48-L63 HydrophobicContact CD2-CD2 4.31Å; W48-L63 HydrophobicContact CD2-CG 3.62Å; W48-L63 VanDerWaalsContact CE2-CG 3.45Å; W48-L63 HydrophobicContact CE3-CD1 4.15Å; W48-L63 HydrophobicContact CE3-CD2 4.18Å; W48-L63 HydrophobicContact CE3-CG 3.89Å; W48-L63 HydrophobicContact CG-CG 4.22Å; W48-L63 HydrophobicContact CH2-CD1 3.16Å; W48-L63 HydrophobicContact CH2-CG 3.82Å; W48-L63 HydrophobicContact CZ2-CD1 3.14Å; W48-L63 HydrophobicContact CZ2-CG 3.62Å; W48-L63 HydrophobicContact CZ3-CD1 3.69Å; W48-L63 HydrophobicContact CZ3-CD2 4.25Å; W48-L63 HydrophobicContact CZ3-CG 3.94Å; W48-L115 HydrophobicContact CE3-CD2 4.43Å; W48-L115 HydrophobicContact CZ3-CD2 3.91Å; W48-L115 HydrophobicContact CZ3-CG 4.49Å; W48-I119 HydrophobicContact CH2-CD1 3.53Å; W48-I119 HydrophobicContact CZ2-CD1 4.29Å; W48-I119 HydrophobicContact CZ3-CD1 4.32Å; W48-G192 PolarHBondContact O-N 3.43Å; W48-I198 HydrophobicContact CE3-CD1 3.95Å; W48-I198 HydrophobicContact CH2-CD1 2.94Å; W48-I198 HydrophobicContact CH2-CG1 3.6Å; W48-I198 HydrophobicContact CZ2-CD1 3.78Å; W48-I198 HydrophobicContact CZ2-CG1 4.06Å; W48-I198 HydrophobicContact CZ3-CD1 3.05Å; W48-I198 HydrophobicContact CZ3-CG1 4.19Å
49	F	92.9	Very high	89	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.1	179.4	-55.9	-70.7	0	0	0	109	L61 F112 V169 S170 I173 V189 F191	F49-L61 HydrophobicContact CB-CB 4.39Å; F49-L61 PolarHBondContact N-O 2.99Å; F49-L61 PolarHBondContact O-N 3.23Å; F49-F112 HydrophobicContact CD2-CE1 4.06Å; F49-F112 AromaticContact CD2-CZ 3.74Å; F49-F112 HydrophobicContact CD2-CZ 3.74Å; F49-F112 AromaticContact CE2-CE1 3.56Å; F49-F112 HydrophobicContact CE2-CE1 3.56Å; F49-F112 AromaticContact CE2-CZ 3.56Å; F49-F112 HydrophobicContact CE2-CZ 3.56Å; F49-V169 HydrophobicContact CE2-CG1 3.86Å; F49-V169 HydrophobicContact CZ-CB 4.3Å; F49-V169 HydrophobicContact CZ-CG1 4.04Å; F49-S170 WeakPolarHBondContact CD1-OG 3.39Å; F49-S170 WeakPolarHBondContact CE1-OG 3.42Å; F49-I173 HydrophobicContact CD2-CD1 4.16Å; F49-I173 HydrophobicContact CG-CD1 4.37Å; F49-V189 HydrophobicContact CB-CG1 4.33Å; F49-F191 HydrophobicContact CD1-CD1 4.17Å; F49-F191 HydrophobicContact CD1-CE1 4.47Å; F49-F191 AromaticContact CE1-CD1 3.89Å; F49-F191 HydrophobicContact CE1-CD1 3.89Å; F49-F191 AromaticContact CE1-CE1 3.92Å; F49-F191 HydrophobicContact CE1-CE1 3.92Å
50	Y	92.2	Very high	88.7	Confident	66 Å²	66	49.6 Å²	49.6	26%	0.259	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	116.7	175.4	-177.7	-107.2	0	0	0	108.8	N52 K59 H60 V189 S190	Y50-N52 VanDerWaalsContact CE1-ND2 3.25Å; Y50-N52 WeakPolarHBondContact CE1-ND2 3.46Å; Y50-N52 WeakPolarHBondContact CE1-OD1 3.4Å; Y50-N52 VanDerWaalsContact CZ-OD1 3.24Å; Y50-N52 PolarHBondContact OH-OD1 3.42Å; Y50-K59 CarbonylContact C-O 3.54Å; Y50-K59 VanDerWaalsContact CA-O 3.32Å; Y50-K59 WeakPolarHBondContact CA-O 3.46Å; Y50-K59 HydrophobicContact CD2-CB 4.41Å; Y50-K59 VanDerWaalsContact CD2-O 3.31Å; Y50-K59 WeakPolarHBondContact CD2-O 3.43Å; Y50-K59 HydrophobicContact CE2-CB 3.88Å; Y50-K59 HydrophobicContact CE2-CD 4.45Å; Y50-H60 AromaticContact CD2-CE1 3.47Å; Y50-H60 VanDerWaalsContact CD2-CE1 3.47Å; Y50-H60 WeakPolarHBondContact CD2-CE1 3.34Å; Y50-H60 AromaticContact CD2-ND1 3.76Å; Y50-H60 AromaticContact CD2-NE2 3.87Å; Y50-H60 AromaticContact CE2-CE1 3.68Å; Y50-H60 AromaticContact CE2-NE2 3.69Å; Y50-V189 CarbonylContact O-C 3.59Å; Y50-V189 WeakPolarHBondContact O-CA 3.45Å; Y50-S190 PolarHBondContact N-O 3.47Å; Y50-S190 PolarHBondContact O-N 3.29Å
51	I	90.3	Very high	88.5	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.4	-175.1	-54.7	173.5	0	0	0	107.8	K59 L61 I173 Q177	I51-K59 PolarHBondContact N-O 3.32Å; I51-L61 HydrophobicContact CD1-CB 4.41Å; I51-I173 HydrophobicContact CD1-CG2 3.91Å; I51-I173 HydrophobicContact CG1-CG2 4.35Å; I51-Q177 HydrophobicContact CG2-CG 4.39Å
52	N	88.4	Confident	88.2	Confident	60 Å²	60	45.3 Å²	45.3	32%	0.321	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.7	169.3	-79.3	-37.2	0	0	0	109.8	Y50 V187 H188	Y50-N52 VanDerWaalsContact CE1-ND2 3.25Å; Y50-N52 WeakPolarHBondContact CE1-ND2 3.46Å; Y50-N52 WeakPolarHBondContact CE1-OD1 3.4Å; Y50-N52 VanDerWaalsContact CZ-OD1 3.24Å; Y50-N52 PolarHBondContact OH-OD1 3.42Å; N52-V187 WeakPolarHBondContact O-CA 3.4Å; N52-H188 PolarHBondContact N-O 3.45Å; N52-H188 PolarHBondContact O-N 3.33Å
53	G	84	Confident	88.1	Confident	41 Å²	41	45.3 Å²	45.3	42%	0.423	25%	0.252	S	S	.	.	S	Bend	trans	75.2	-168.5	-175.5	0	0	0	0	0	112.1
54	G	82.4	Confident	87.8	Confident	26 Å²	26	46.3 Å²	46.3	27%	0.268	26%	0.261	S	S	.	.	S	Bend	trans	94.6	-179.1	-177	0	0	0	0	0	114	T181	G54-T181 WeakPolarHBondContact CA-OG1 3.42Å
55	H	82.1	Confident	87.6	Confident	87 Å²	87	44.4 Å²	44.4	40%	0.403	24%	0.241	S	C	.	.	S	Bend	trans	-90	-10.4	170.1	-155.4	80.8	0	0	0	112.2	P57 D102 T180 T181	H55-P57 WeakPolarHBondContact O-CD 3.29Å; H55-D102 HydrophobicContact CB-CB 4.23Å; H55-D102 IonicContact CD2-OD2 2.92Å; H55-D102 PolarHBondContact CD2-OD2 3.44Å; H55-D102 VanDerWaalsContact CD2-OD2 3.22Å; H55-D102 IonicContact NE2-OD2 3.33Å; H55-T180 HydrophobicContact CB-CG2 3.99Å; H55-T181 PolarHBondContact N-OG1 2.9Å
56	C	83.4	Confident	87.6	Confident	15 Å²	15	41.4 Å²	41.4	10%	0.101	23%	0.226	C	C	.	.			trans	-71.2	125	-178.7	-178.3	0	0	0	0	111.6	L58 C103	C56-L58 PolarHBondContact O-N 3.1Å; C56-L58 PolarHBondContact SG-N 3.3Å; C56-L58 VanDerWaalsContact SG-N 3.45Å; C56-C103 WeakPolarHBondContact CA-SG 3.43Å; C56-C103 HydrophobicContact CB-CB 3.92Å; C56-C103 WeakPolarHBondContact CB-SG 3.32Å; C56-C103 WeakPolarHBondContact SG-CB 3.3Å; C56-C103 CovalentContact SG-SG 2.04Å; C56-C103 PolarHBondContact SG-SG 2.91Å
57	P	81.1	Confident	87.9	Confident	97 Å²	97	40.9 Å²	40.9	63%	0.63	22%	0.22	S	C	*	.	S	Bend	trans	-71.7	-11.9	175.9	26	-34.3	0	0	0	113.9	H55 V101	H55-P57 WeakPolarHBondContact O-CD 3.29Å; P57-V101 WeakPolarHBondContact CD-O 3.44Å
58	L	83.4	Confident	87.7	Confident	41 Å²	41	40.8 Å²	40.8	22%	0.215	23%	0.228	C	C	.	.			trans	-91.9	128.6	-180	-75.2	89	0	0	0	110.9	C56 F100	C56-L58 PolarHBondContact O-N 3.1Å; C56-L58 PolarHBondContact SG-N 3.3Å; C56-L58 VanDerWaalsContact SG-N 3.45Å; L58-F100 HydrophobicContact CD1-CB 4.25Å; L58-F100 HydrophobicContact CD1-CD1 3.08Å; L58-F100 HydrophobicContact CD1-CE1 3.57Å; L58-F100 HydrophobicContact CD1-CG 3.94Å; L58-F100 HydrophobicContact CD2-CD1 3.9Å; L58-F100 HydrophobicContact CD2-CE1 3.5Å; L58-F100 VanDerWaalsContact CD2-CE1 3.5Å; L58-F100 HydrophobicContact CD2-CZ 4.2Å; L58-F100 HydrophobicContact CG-CD1 4.09Å; L58-F100 HydrophobicContact CG-CE1 4.11Å
59	K	87.7	Confident	87.4	Confident	130 Å²	130	50.3 Å²	50.3	57%	0.565	27%	0.27	S	S	*	.	S	Bend	trans	-79.9	-27.2	169.1	-66.3	-173.6	178	-173.7	0	112.9	Y50 I51	Y50-K59 CarbonylContact C-O 3.54Å; Y50-K59 VanDerWaalsContact CA-O 3.32Å; Y50-K59 WeakPolarHBondContact CA-O 3.46Å; Y50-K59 HydrophobicContact CD2-CB 4.41Å; Y50-K59 VanDerWaalsContact CD2-O 3.31Å; Y50-K59 WeakPolarHBondContact CD2-O 3.43Å; Y50-K59 HydrophobicContact CE2-CB 3.88Å; Y50-K59 HydrophobicContact CE2-CD 4.45Å; I51-K59 PolarHBondContact N-O 3.32Å
60	H	89.8	Confident	87.1	Confident	74 Å²	74	51.6 Å²	51.6	34%	0.343	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.7	-173.4	-56.6	-99.1	0	0	0	110.4	D47 Y50	D47-H60 WeakPolarHBondContact OD1-CB 3.3Å; D47-H60 IonicContact OD1-CG 3.83Å; D47-H60 IonicContact OD1-ND1 3.22Å; D47-H60 PolarHBondContact OD1-ND1 3.29Å; D47-H60 IonicContact OD2-CE1 3.77Å; D47-H60 PolarHBondContact OD2-CE1 3.2Å; D47-H60 IonicContact OD2-CG 2.63Å; D47-H60 IonicContact OD2-ND1 3.76Å; D47-H60 PolarHBondContact OD2-ND1 3.45Å; Y50-H60 AromaticContact CD2-CE1 3.47Å; Y50-H60 VanDerWaalsContact CD2-CE1 3.47Å; Y50-H60 WeakPolarHBondContact CD2-CE1 3.34Å; Y50-H60 AromaticContact CD2-ND1 3.76Å; Y50-H60 AromaticContact CD2-NE2 3.87Å; Y50-H60 AromaticContact CE2-CE1 3.68Å; Y50-H60 AromaticContact CE2-NE2 3.69Å
61	L	89.6	Confident	87	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126	175.7	-165.4	71.5	0	0	0	109.2	Q46 W48 F49 I51 L65 F66 V104 F112 I173	Q46-L61 CarbonylContact O-C 3.55Å; W48-L61 WeakPolarHBondContact CA-O 3.35Å; W48-L61 VanDerWaalsContact CB-O 3.3Å; W48-L61 WeakPolarHBondContact CB-O 3.46Å; W48-L61 PolarHBondContact N-O 3.44Å; F49-L61 HydrophobicContact CB-CB 4.39Å; F49-L61 PolarHBondContact N-O 2.99Å; F49-L61 PolarHBondContact O-N 3.23Å; I51-L61 HydrophobicContact CD1-CB 4.41Å; L61-L65 HydrophobicContact CD1-CD2 3.74Å; L61-F66 HydrophobicContact CD1-CE2 4.02Å; L61-F66 HydrophobicContact CD1-CZ 3.85Å; L61-F66 HydrophobicContact CD2-CE2 4.31Å; L61-F66 HydrophobicContact CD2-CZ 4.31Å; L61-F66 HydrophobicContact CG-CE2 4.02Å; L61-F66 HydrophobicContact CG-CZ 4.24Å; L61-V104 HydrophobicContact CD1-CG2 4.23Å; L61-F112 HydrophobicContact CD2-CE2 3.72Å; L61-F112 HydrophobicContact CD2-CZ 3.7Å; L61-F112 HydrophobicContact CG-CZ 4.31Å; L61-I173 HydrophobicContact CD2-CD1 3.87Å
62	G	90.2	Very high	86.9	Confident	3 Å²	3	56.8 Å²	56.8	3%	0.031	30%	0.304	C	S	.	.			trans	-129.7	159.7	-176.6	0	0	0	0	0	112.4	Q46 S64 L65 F66	Q46-G62 WeakPolarHBondContact O-CA 3.39Å; Q46-G62 PolarHBondContact O-N 3.36Å; G62-S64 PolarHBondContact O-N 2.95Å; G62-L65 WeakPolarHBondContact O-CB 3.39Å; G62-L65 PolarHBondContact O-N 3.47Å; G62-F66 WeakPolarHBondContact O-CD2 3.47Å
63	L	90.5	Very high	86.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-60.5	-33.6	175.7	-68.9	-169.5	0	0	0	113	L43 W48 L65 F66 F112 L115 I116 I119	L43-L63 HydrophobicContact CD2-CD1 3.9Å; W48-L63 HydrophobicContact CD2-CD1 4.09Å; W48-L63 HydrophobicContact CD2-CD2 4.31Å; W48-L63 HydrophobicContact CD2-CG 3.62Å; W48-L63 VanDerWaalsContact CE2-CG 3.45Å; W48-L63 HydrophobicContact CE3-CD1 4.15Å; W48-L63 HydrophobicContact CE3-CD2 4.18Å; W48-L63 HydrophobicContact CE3-CG 3.89Å; W48-L63 HydrophobicContact CG-CG 4.22Å; W48-L63 HydrophobicContact CH2-CD1 3.16Å; W48-L63 HydrophobicContact CH2-CG 3.82Å; W48-L63 HydrophobicContact CZ2-CD1 3.14Å; W48-L63 HydrophobicContact CZ2-CG 3.62Å; W48-L63 HydrophobicContact CZ3-CD1 3.69Å; W48-L63 HydrophobicContact CZ3-CD2 4.25Å; W48-L63 HydrophobicContact CZ3-CG 3.94Å; L63-L65 PolarHBondContact O-N 3.28Å; L63-L65 VanDerWaalsContact O-N 3.1Å; L63-F66 PolarHBondContact O-N 2.85Å; L63-F112 HydrophobicContact CD2-CD1 3.36Å; L63-F112 HydrophobicContact CD2-CE1 3.77Å; L63-L115 HydrophobicContact CD2-CD2 3.89Å; L63-L115 HydrophobicContact CD2-CG 4.33Å; L63-I116 HydrophobicContact CB-CD1 4.34Å; L63-I116 HydrophobicContact CB-CG1 4.12Å; L63-I116 HydrophobicContact CD1-CG1 3.98Å; L63-I116 HydrophobicContact CD2-CD1 4.46Å; L63-I116 HydrophobicContact CD2-CG1 4.03Å; L63-I116 HydrophobicContact CG-CG1 4.28Å; L63-I119 HydrophobicContact CD1-CD1 3.44Å; L63-I119 VanDerWaalsContact CD1-CD1 3.44Å
64	S	88.4	Confident	86.9	Confident	34 Å²	34	61.6 Å²	61.6	24%	0.238	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-61.5	-21.4	-177.4	55.1	0	0	0	0	113.5	Q46 G62 F66 Y67	Q46-S64 WeakPolarHBondContact CG-OG 3.44Å; G62-S64 PolarHBondContact O-N 2.95Å; S64-F66 PolarHBondContact O-N 3.27Å; S64-Y67 VanDerWaalsContact CA-CE2 3.49Å
65	L	86.8	Confident	87	Confident	30 Å²	30	62.4 Å²	62.4	16%	0.157	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-68.8	-24.8	173.7	-165.3	69.6	0	0	0	113.2	L61 G62 L63 F100	L61-L65 HydrophobicContact CD1-CD2 3.74Å; G62-L65 WeakPolarHBondContact O-CB 3.39Å; G62-L65 PolarHBondContact O-N 3.47Å; L63-L65 PolarHBondContact O-N 3.28Å; L63-L65 VanDerWaalsContact O-N 3.1Å; L65-F100 HydrophobicContact CD1-CE2 3.42Å; L65-F100 VanDerWaalsContact CD1-CE2 3.42Å; L65-F100 HydrophobicContact CD1-CZ 3.3Å; L65-F100 HydrophobicContact CD2-CD2 4.08Å; L65-F100 HydrophobicContact CD2-CE2 3.5Å; L65-F100 HydrophobicContact CD2-CZ 3.79Å; L65-F100 HydrophobicContact CG-CE2 3.76Å; L65-F100 HydrophobicContact CG-CZ 4.05Å
66	F	89.8	Confident	86.7	Confident	1 Å²	1	63.7 Å²	63.7	0%	0.004	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-109.2	18.4	-174.3	-52	-72.6	0	0	0	112.6	L61 G62 L63 S64 G68 Y93 V104 V109 F112 H113 I116	L61-F66 HydrophobicContact CD1-CE2 4.02Å; L61-F66 HydrophobicContact CD1-CZ 3.85Å; L61-F66 HydrophobicContact CD2-CE2 4.31Å; L61-F66 HydrophobicContact CD2-CZ 4.31Å; L61-F66 HydrophobicContact CG-CE2 4.02Å; L61-F66 HydrophobicContact CG-CZ 4.24Å; G62-F66 WeakPolarHBondContact O-CD2 3.47Å; L63-F66 PolarHBondContact O-N 2.85Å; S64-F66 PolarHBondContact O-N 3.27Å; F66-G68 VanDerWaalsContact C-N 3.3Å; F66-Y93 AromaticContact CD1-CE1 3.98Å; F66-Y93 HydrophobicContact CD1-CE1 3.98Å; F66-Y93 HydrophobicContact CE1-CD1 4.37Å; F66-Y93 AromaticContact CE1-CE1 3.81Å; F66-Y93 HydrophobicContact CE1-CE1 3.81Å; F66-V104 HydrophobicContact CE1-CG1 4.23Å; F66-V104 HydrophobicContact CE1-CG2 4.45Å; F66-V104 HydrophobicContact CZ-CG1 4.16Å; F66-V104 HydrophobicContact CZ-CG2 4.11Å; F66-V109 HydrophobicContact CD1-CG1 4.24Å; F66-V109 HydrophobicContact CD1-CG2 3.96Å; F66-V109 HydrophobicContact CE1-CG2 3.64Å; F66-F112 HydrophobicContact CB-CB 4.24Å; F66-F112 HydrophobicContact CD2-CB 3.9Å; F66-F112 AromaticContact CD2-CD1 3.99Å; F66-F112 HydrophobicContact CD2-CD1 3.99Å; F66-F112 AromaticContact CD2-CD2 3.87Å; F66-F112 HydrophobicContact CD2-CD2 3.87Å; F66-F112 HydrophobicContact CD2-CE1 4.41Å; F66-F112 HydrophobicContact CD2-CE2 4.37Å; F66-F112 AromaticContact CD2-CG 3.67Å; F66-F112 HydrophobicContact CD2-CG 3.67Å; F66-F112 HydrophobicContact CE1-CD2 4.49Å; F66-F112 HydrophobicContact CE2-CB 4.41Å; F66-F112 HydrophobicContact CE2-CD1 4.12Å; F66-F112 AromaticContact CE2-CD2 3.49Å; F66-F112 HydrophobicContact CE2-CD2 3.49Å; F66-F112 VanDerWaalsContact CE2-CD2 3.49Å; F66-F112 HydrophobicContact CE2-CE1 4.17Å; F66-F112 AromaticContact CE2-CE2 3.62Å; F66-F112 HydrophobicContact CE2-CE2 3.62Å; F66-F112 AromaticContact CE2-CG 3.77Å; F66-F112 HydrophobicContact CE2-CG 3.77Å; F66-F112 AromaticContact CE2-CZ 3.96Å; F66-F112 HydrophobicContact CE2-CZ 3.96Å; F66-F112 HydrophobicContact CG-CB 4.04Å; F66-F112 HydrophobicContact CG-CD2 4.48Å; F66-F112 HydrophobicContact CG-CG 4.28Å; F66-F112 AromaticContact CZ-CD2 3.83Å; F66-F112 HydrophobicContact CZ-CD2 3.83Å; F66-F112 AromaticContact CZ-CE2 3.98Å; F66-F112 HydrophobicContact CZ-CE2 3.98Å; F66-F112 HydrophobicContact CZ-CG 4.46Å; F66-H113 PolarHBondContact O-CD2 3.2Å; F66-H113 PolarHBondContact O-NE2 3.36Å; F66-H113 VanDerWaalsContact O-NE2 3.1Å; F66-I116 HydrophobicContact CB-CD1 4.14Å
67	Y	89.9	Confident	86	Confident	107 Å²	107	65.8 Å²	65.8	42%	0.42	33%	0.327	S	S	.	.	S	Bend	trans	-71.6	-27.1	171.2	-70.6	-28.3	0	0	0	113.6	L43 S64 I116	L43-Y67 WeakPolarHBondContact CA-OH 3.45Å; L43-Y67 VanDerWaalsContact CB-OH 3.24Å; L43-Y67 WeakPolarHBondContact CB-OH 3.45Å; L43-Y67 HydrophobicContact CD2-CE1 4.49Å; L43-Y67 WeakPolarHBondContact CD2-OH 3.44Å; L43-Y67 PolarHBondContact O-OH 3.37Å; S64-Y67 VanDerWaalsContact CA-CE2 3.49Å; Y67-I116 HydrophobicContact CD1-CD1 3.89Å; Y67-I116 HydrophobicContact CD1-CG1 4.46Å; Y67-I116 HydrophobicContact CD1-CG2 4.23Å; Y67-I116 HydrophobicContact CE1-CD1 4.01Å; Y67-I116 HydrophobicContact CE1-CG1 4.13Å; Y67-I116 HydrophobicContact CE1-CG2 3.99Å
68	G	86.1	Confident	85.2	Confident	35 Å²	35	68.2 Å²	68.2	36%	0.361	33%	0.328	S	S	.	.	S	Bend	trans	-99.5	149.4	175.9	0	0	0	0	0	111.5	F66 G70	F66-G68 VanDerWaalsContact C-N 3.3Å; G68-G70 PolarHBondContact O-N 3.17Å
69	F	86.2	Confident	83.9	Confident	201 Å²	201	70.3 Å²	70.3	88%	0.882	34%	0.339	S	S	*	.			trans	-62.9	117.3	165.1	-63.2	-77.5	0	0	0	109.6
70	G	87.4	Confident	82.4	Confident	27 Å²	27	70.7 Å²	70.7	28%	0.278	35%	0.352	S	S	.	.			trans	-100.1	174.7	166.2	0	0	0	0	0	111.5	G68 Y93 R94	G68-G70 PolarHBondContact O-N 3.17Å; G70-Y93 WeakPolarHBondContact CA-OH 3.2Å; G70-Y93 PolarHBondContact N-OH 2.92Å; G70-R94 VanDerWaalsContact CA-O 3.32Å; G70-R94 WeakPolarHBondContact CA-O 3.45Å
71	Y	89.3	Confident	80.8	Confident	133 Å²	133	71.5 Å²	71.5	52%	0.522	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.8	172.3	64.6	-88.8	0	0	0	110.6	R94	Y71-R94 HydrophobicContact CD1-CB 4.45Å; Y71-R94 HydrophobicContact CD2-CB 4.5Å; Y71-R94 HydrophobicContact CE1-CB 3.93Å; Y71-R94 HydrophobicContact CE2-CB 3.98Å; Y71-R94 HydrophobicContact CE2-CG 4.43Å; Y71-R94 PolarHBondContact N-O 2.99Å; Y71-R94 VanDerWaalsContact N-O 3.09Å; Y71-R94 PolarHBondContact O-N 3.17Å; Y71-R94 WeakPolarHBondContact OH-CD 3.24Å
72	F	89	Confident	79.2	Confident	47 Å²	47	73.7 Å²	73.7	21%	0.206	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133	177.2	-69.1	-87.3	0	0	0	110.2	Y74 Y93 V104 T105 P106 V109	F72-Y74 HydrophobicContact CB-CE2 4.14Å; F72-Y93 AromaticContact CD1-CD2 3.97Å; F72-Y93 HydrophobicContact CD1-CD2 3.97Å; F72-Y93 HydrophobicContact CD2-CD2 4.14Å; F72-Y93 HydrophobicContact CD2-CE2 4.48Å; F72-Y93 AromaticContact CE1-CD2 3.58Å; F72-Y93 HydrophobicContact CE1-CD2 3.58Å; F72-Y93 HydrophobicContact CE1-CE2 4.46Å; F72-Y93 HydrophobicContact CE1-CG 4.08Å; F72-Y93 AromaticContact CE2-CD2 3.75Å; F72-Y93 HydrophobicContact CE2-CD2 3.75Å; F72-Y93 AromaticContact CE2-CE2 3.9Å; F72-Y93 HydrophobicContact CE2-CE2 3.9Å; F72-Y93 HydrophobicContact CG-CD2 4.25Å; F72-Y93 AromaticContact CZ-CD2 3.47Å; F72-Y93 HydrophobicContact CZ-CD2 3.47Å; F72-Y93 VanDerWaalsContact CZ-CD2 3.47Å; F72-Y93 AromaticContact CZ-CE2 3.91Å; F72-Y93 HydrophobicContact CZ-CE2 3.91Å; F72-Y93 HydrophobicContact CZ-CG 4.26Å; F72-V104 WeakPolarHBondContact CE1-O 3.35Å; F72-T105 VanDerWaalsContact CZ-C 3.49Å; F72-P106 HydrophobicContact CD2-CB 4.04Å; F72-P106 VanDerWaalsContact CE2-CA 3.44Å; F72-P106 HydrophobicContact CE2-CB 3.72Å; F72-P106 HydrophobicContact CZ-CB 4.08Å; F72-P106 VanDerWaalsContact CZ-N 3.32Å; F72-V109 HydrophobicContact CE2-CB 4.35Å; F72-V109 HydrophobicContact CE2-CG2 4.19Å; F72-V109 HydrophobicContact CZ-CB 4.1Å; F72-V109 HydrophobicContact CZ-CG2 3.53Å
73	E	87.1	Confident	77.6	Confident	69 Å²	69	81 Å²	81	32%	0.322	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.7	167.4	-170.2	175.6	166.7	0	0	108.6	V75 I92 R94	E73-V75 HydrophobicContact CG-CG2 4.13Å; E73-I92 HydrophobicContact CB-CB 4.45Å; E73-I92 PolarHBondContact N-O 3.43Å; E73-I92 PolarHBondContact O-N 3.42Å; E73-R94 IonicContact OE1-NH2 3.94Å; E73-R94 IonicContact OE2-CZ 2.88Å; E73-R94 IonicContact OE2-NE 3.77Å; E73-R94 IonicContact OE2-NH1 2.63Å; E73-R94 PolarHBondContact OE2-NH1 2.92Å; E73-R94 IonicContact OE2-NH2 2.89Å; E73-R94 PolarHBondContact OE2-NH2 2.99Å
74	Y	85.6	Confident	76.1	Confident	132 Å²	132	86.9 Å²	86.9	52%	0.518	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	108.7	177.8	-61.7	-84.5	0	0	0	108.3	F72 T91	F72-Y74 HydrophobicContact CB-CE2 4.14Å; Y74-T91 HydrophobicContact CD1-CG2 3.84Å; Y74-T91 HydrophobicContact CE1-CG2 3.78Å
75	V	82.8	Confident	74.2	Confident	44 Å²	44	96.2 Å²	96.2	27%	0.267	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.4	178.5	-174.5	0	0	0	0	108.7	E73 T77 H90 I92	E73-V75 HydrophobicContact CG-CG2 4.13Å; V75-T77 HydrophobicContact CG1-CG2 4.01Å; V75-H90 PolarHBondContact N-O 2.87Å; V75-H90 PolarHBondContact O-N 3.45Å; V75-I92 HydrophobicContact CB-CD1 4.45Å; V75-I92 HydrophobicContact CG2-CD1 3.65Å; V75-I92 HydrophobicContact CG2-CG1 4.27Å
76	H	76.1	Confident	72.8	Confident	113 Å²	113	100 Å²	100	52%	0.523	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	107.1	169.2	-65.7	-61.8	0	0	0	108.4
77	T	68.9	Low	71.2	Confident	59 Å²	59	103.8 Å²	103.8	36%	0.362	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.2	167.4	62.4	0	0	0	0	108.9	V75 H90	V75-T77 HydrophobicContact CG1-CG2 4.01Å; T77-H90 PolarHBondContact OG1-CD2 3.14Å; T77-H90 PolarHBondContact OG1-NE2 2.98Å
78	F	64.7	Low	70	Confident	148 Å²	148	103.1 Å²	103.1	65%	0.649	54%	0.536	S	S	*	.			trans	-101.1	111.4	169.3	-68.9	-85	0	0	0	106.9	V80	F78-V80 PolarHBondContact O-N 3.38Å
79	D	57	Low	69.1	Low	85 Å²	85	110.7 Å²	110.7	46%	0.455	55%	0.554	S	S	.	*			trans	-75.6	109.4	174.7	-147.7	-17.4	0	0	0	108.4	A81	D79-A81 PolarHBondContact O-N 3.29Å
80	V	55.3	Low	68.8	Low	138 Å²	138	102.8 Å²	102.8	84%	0.836	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.7	-178.1	-168.8	0	0	0	0	110.8	F78 A82	F78-V80 PolarHBondContact O-N 3.38Å; V80-A82 PolarHBondContact O-N 3.17Å
81	A	56.8	Low	68.4	Low	91 Å²	91	102.3 Å²	102.3	75%	0.752	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.2	-175.8	0	0	0	0	0	113.6	D79	D79-A81 PolarHBondContact O-N 3.29Å
82	A	55.6	Low	68.2	Low	50 Å²	50	97.3 Å²	97.3	41%	0.413	49%	0.493	S	S	.	.	S	Bend	trans	-92.6	115.8	172.4	0	0	0	0	0	109	V80 L84	V80-A82 PolarHBondContact O-N 3.17Å; A82-L84 CarbonylContact O-C 3.41Å; A82-L84 PolarHBondContact O-N 3.49Å
83	T	55.8	Low	68	Low	156 Å²	156	95.1 Å²	95.1	96%	0.957	48%	0.484	S	S	*	.	S	Bend	trans	-56	-7.9	171.9	38.4	0	0	0	0	114
84	L	59.9	Low	67.9	Low	125 Å²	125	96 Å²	96	65%	0.654	48%	0.484	S	S	*	.	S	Bend	trans	-100.4	113.2	165.3	-98.7	138.2	0	0	0	109.8	A82 I86	A82-L84 CarbonylContact O-C 3.41Å; A82-L84 PolarHBondContact O-N 3.49Å; L84-I86 HydrophobicContact CB-CD1 4.41Å; L84-I86 HydrophobicContact CB-CG1 4.22Å; L84-I86 PolarHBondContact O-N 3.29Å
85	R	49	Very low	67.8	Low	230 Å²	230	90.9 Å²	90.9	87%	0.868	47%	0.467	S	S	*	.			trans	-61.3	77	169.6	-70.3	-179	179.9	167.4	-0.3	110.6	P87	R85-P87 VanDerWaalsContact O-CD 3.32Å; R85-P87 WeakPolarHBondContact O-CD 3.02Å
86	I	56.9	Low	67.7	Low	109 Å²	109	101.2 Å²	101.2	56%	0.559	50%	0.501	S	S	*	.			trans	-94.9	107.5	169.3	-55.7	173.8	0	0	0	106.2	L84 R88	L84-I86 HydrophobicContact CB-CD1 4.41Å; L84-I86 HydrophobicContact CB-CG1 4.22Å; L84-I86 PolarHBondContact O-N 3.29Å; I86-R88 PolarHBondContact O-N 3.12Å
87	P	56.4	Low	67.5	Low	81 Å²	81	100.6 Å²	100.6	53%	0.526	51%	0.509	S	S	.	.			trans	-63.9	108.2	174.4	25.9	-31.8	0	0	0	108.6	R85	R85-P87 VanDerWaalsContact O-CD 3.32Å; R85-P87 WeakPolarHBondContact O-CD 3.02Å
88	R	64.3	Low	68	Low	92 Å²	92	103.1 Å²	103.1	35%	0.347	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.9	169.9	-76.7	-176	174.7	176.3	-7	108.4	I86 D182	I86-R88 PolarHBondContact O-N 3.12Å; R88-D182 IonicContact CZ-OD2 2.87Å; R88-D182 IonicContact NH1-OD2 3.77Å; R88-D182 VanDerWaalsContact NH2-CG 3.26Å; R88-D182 IonicContact NH2-OD1 3.17Å; R88-D182 PolarHBondContact NH2-OD1 3.45Å; R88-D182 IonicContact NH2-OD2 3.77Å; R88-D182 PolarHBondContact NH2-OD2 2.63Å
89	R	67.9	Low	68.8	Low	194 Å²	194	99.6 Å²	99.6	73%	0.732	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	112	175.5	-65.4	-170.4	-175.2	-176.3	1.3	107.9
90	H	78.5	Confident	70	Confident	35 Å²	35	96 Å²	96	16%	0.162	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.9	171.6	-63.7	-79.6	0	0	0	109.4	V75 T77 V101 D102	V75-H90 PolarHBondContact N-O 2.87Å; V75-H90 PolarHBondContact O-N 3.45Å; T77-H90 PolarHBondContact OG1-CD2 3.14Å; T77-H90 PolarHBondContact OG1-NE2 2.98Å; H90-V101 HydrophobicContact CB-CG1 4.44Å; H90-D102 VanDerWaalsContact CA-OD1 3.25Å; H90-D102 WeakPolarHBondContact CA-OD1 3.26Å; H90-D102 IonicContact CE1-OD2 3.64Å; H90-D102 IonicContact CG-OD2 3.6Å; H90-D102 IonicContact ND1-OD2 2.67Å; H90-D102 PolarHBondContact ND1-OD2 3.16Å
91	T	80.4	Confident	71.2	Confident	17 Å²	17	91.8 Å²	91.8	10%	0.104	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115	174.4	52.7	0	0	0	0	108.8	Y74 D102	Y74-T91 HydrophobicContact CD1-CG2 3.84Å; Y74-T91 HydrophobicContact CE1-CG2 3.78Å; T91-D102 PolarHBondContact N-OD1 3.23Å; T91-D102 PolarHBondContact O-N 2.98Å; T91-D102 PolarHBondContact OG1-OD1 2.95Å
92	I	83.9	Confident	72.3	Confident	28 Å²	28	87.7 Å²	87.7	14%	0.144	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.8	175.6	-50.7	-179	0	0	0	107.8	E73 V75 R94 F100 V101	E73-I92 HydrophobicContact CB-CB 4.45Å; E73-I92 PolarHBondContact N-O 3.43Å; E73-I92 PolarHBondContact O-N 3.42Å; V75-I92 HydrophobicContact CB-CD1 4.45Å; V75-I92 HydrophobicContact CG2-CD1 3.65Å; V75-I92 HydrophobicContact CG2-CG1 4.27Å; I92-R94 HydrophobicContact CG2-CG 4.08Å; I92-F100 CarbonylContact C-O 3.17Å; I92-F100 WeakPolarHBondContact CA-O 3.19Å; I92-V101 HydrophobicContact CG1-CG1 4.47Å; I92-V101 HydrophobicContact CG1-CG2 4.26Å
93	Y	84.8	Confident	73.6	Confident	2 Å²	2	85.4 Å²	85.4	1%	0.008	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	114	169.7	-175.7	-119.3	0	0	0	108.8	F66 G70 F72 S99 F100 V109	F66-Y93 AromaticContact CD1-CE1 3.98Å; F66-Y93 HydrophobicContact CD1-CE1 3.98Å; F66-Y93 HydrophobicContact CE1-CD1 4.37Å; F66-Y93 AromaticContact CE1-CE1 3.81Å; F66-Y93 HydrophobicContact CE1-CE1 3.81Å; G70-Y93 WeakPolarHBondContact CA-OH 3.2Å; G70-Y93 PolarHBondContact N-OH 2.92Å; F72-Y93 AromaticContact CD1-CD2 3.97Å; F72-Y93 HydrophobicContact CD1-CD2 3.97Å; F72-Y93 HydrophobicContact CD2-CD2 4.14Å; F72-Y93 HydrophobicContact CD2-CE2 4.48Å; F72-Y93 AromaticContact CE1-CD2 3.58Å; F72-Y93 HydrophobicContact CE1-CD2 3.58Å; F72-Y93 HydrophobicContact CE1-CE2 4.46Å; F72-Y93 HydrophobicContact CE1-CG 4.08Å; F72-Y93 AromaticContact CE2-CD2 3.75Å; F72-Y93 HydrophobicContact CE2-CD2 3.75Å; F72-Y93 AromaticContact CE2-CE2 3.9Å; F72-Y93 HydrophobicContact CE2-CE2 3.9Å; F72-Y93 HydrophobicContact CG-CD2 4.25Å; F72-Y93 AromaticContact CZ-CD2 3.47Å; F72-Y93 HydrophobicContact CZ-CD2 3.47Å; F72-Y93 VanDerWaalsContact CZ-CD2 3.47Å; F72-Y93 AromaticContact CZ-CE2 3.91Å; F72-Y93 HydrophobicContact CZ-CE2 3.91Å; F72-Y93 HydrophobicContact CZ-CG 4.26Å; Y93-S99 WeakPolarHBondContact O-CA 3.34Å; Y93-F100 AromaticContact CD1-CD2 3.96Å; Y93-F100 HydrophobicContact CD1-CD2 3.96Å; Y93-F100 PolarHBondContact N-O 2.55Å; Y93-F100 PolarHBondContact O-N 2.97Å; Y93-V109 HydrophobicContact CD2-CG2 4.49Å; Y93-V109 HydrophobicContact CE2-CG1 4.42Å; Y93-V109 HydrophobicContact CE2-CG2 4.13Å
94	R	85.2	Confident	75.2	Confident	87 Å²	87	78 Å²	78	33%	0.328	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.9	175.4	-75.2	-170.4	-176.8	139.5	14.7	110.2	G70 Y71 E73 I92	G70-R94 VanDerWaalsContact CA-O 3.32Å; G70-R94 WeakPolarHBondContact CA-O 3.45Å; Y71-R94 HydrophobicContact CD1-CB 4.45Å; Y71-R94 HydrophobicContact CD2-CB 4.5Å; Y71-R94 HydrophobicContact CE1-CB 3.93Å; Y71-R94 HydrophobicContact CE2-CB 3.98Å; Y71-R94 HydrophobicContact CE2-CG 4.43Å; Y71-R94 PolarHBondContact N-O 2.99Å; Y71-R94 VanDerWaalsContact N-O 3.09Å; Y71-R94 PolarHBondContact O-N 3.17Å; Y71-R94 WeakPolarHBondContact OH-CD 3.24Å; E73-R94 IonicContact OE1-NH2 3.94Å; E73-R94 IonicContact OE2-CZ 2.88Å; E73-R94 IonicContact OE2-NE 3.77Å; E73-R94 IonicContact OE2-NH1 2.63Å; E73-R94 PolarHBondContact OE2-NH1 2.92Å; E73-R94 IonicContact OE2-NH2 2.89Å; E73-R94 PolarHBondContact OE2-NH2 2.99Å; I92-R94 HydrophobicContact CG2-CG 4.08Å
95	T	84.3	Confident	76.5	Confident	25 Å²	25	73.1 Å²	73.1	15%	0.153	34%	0.34	C	S	.	.			trans	-105.9	172.8	164.1	-148.7	0	0	0	0	109.8	S97 K98	T95-S97 PolarHBondContact O-N 3.29Å; T95-K98 HydrophobicContact CG2-CB 4.37Å; T95-K98 PolarHBondContact N-O 3.48Å
96	R	79.2	Confident	78.4	Confident	260 Å²	260	64.5 Å²	64.5	98%	0.981	31%	0.314	S	S	*	.	S	Bend	trans	-53.6	-29.1	-177.8	-91.7	-172.5	178	174.3	0.4	114.8
97	S	72.7	Confident	80.1	Confident	100 Å²	100	64.7 Å²	64.7	70%	0.699	31%	0.312	S	S	*	.	S	Bend	trans	-117.5	-17.5	-171.4	55.8	0	0	0	0	114.8	T95	T95-S97 PolarHBondContact O-N 3.29Å
98	K	80	Confident	81.8	Confident	112 Å²	112	60.8 Å²	60.8	49%	0.487	29%	0.287	S	S	.	.			trans	-151.2	147.1	-170.8	-63.7	-176.5	-179.2	177.4	0	111.1	T95 F100	T95-K98 HydrophobicContact CG2-CB 4.37Å; T95-K98 PolarHBondContact N-O 3.48Å; K98-F100 HydrophobicContact CB-CE1 3.71Å; K98-F100 HydrophobicContact CB-CE2 3.89Å; K98-F100 HydrophobicContact CB-CZ 3.29Å; K98-F100 HydrophobicContact CD-CE1 4.11Å; K98-F100 HydrophobicContact CD-CZ 3.82Å; K98-F100 HydrophobicContact CG-CZ 4.16Å
99	S	81.3	Confident	83.1	Confident	74 Å²	74	56.7 Å²	56.7	52%	0.517	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.5	173.7	57.1	0	0	0	0	110.1	Y93	Y93-S99 WeakPolarHBondContact O-CA 3.34Å
100	F	82	Confident	84.3	Confident	9 Å²	9	52.5 Å²	52.5	4%	0.039	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.9	-177.2	-49.4	-61	0	0	0	109.7	L58 L65 I92 Y93 K98 C103	L58-F100 HydrophobicContact CD1-CB 4.25Å; L58-F100 HydrophobicContact CD1-CD1 3.08Å; L58-F100 HydrophobicContact CD1-CE1 3.57Å; L58-F100 HydrophobicContact CD1-CG 3.94Å; L58-F100 HydrophobicContact CD2-CD1 3.9Å; L58-F100 HydrophobicContact CD2-CE1 3.5Å; L58-F100 VanDerWaalsContact CD2-CE1 3.5Å; L58-F100 HydrophobicContact CD2-CZ 4.2Å; L58-F100 HydrophobicContact CG-CD1 4.09Å; L58-F100 HydrophobicContact CG-CE1 4.11Å; L65-F100 HydrophobicContact CD1-CE2 3.42Å; L65-F100 VanDerWaalsContact CD1-CE2 3.42Å; L65-F100 HydrophobicContact CD1-CZ 3.3Å; L65-F100 HydrophobicContact CD2-CD2 4.08Å; L65-F100 HydrophobicContact CD2-CE2 3.5Å; L65-F100 HydrophobicContact CD2-CZ 3.79Å; L65-F100 HydrophobicContact CG-CE2 3.76Å; L65-F100 HydrophobicContact CG-CZ 4.05Å; I92-F100 CarbonylContact C-O 3.17Å; I92-F100 WeakPolarHBondContact CA-O 3.19Å; Y93-F100 AromaticContact CD1-CD2 3.96Å; Y93-F100 HydrophobicContact CD1-CD2 3.96Å; Y93-F100 PolarHBondContact N-O 2.55Å; Y93-F100 PolarHBondContact O-N 2.97Å; K98-F100 HydrophobicContact CB-CE1 3.71Å; K98-F100 HydrophobicContact CB-CE2 3.89Å; K98-F100 HydrophobicContact CB-CZ 3.29Å; K98-F100 HydrophobicContact CD-CE1 4.11Å; K98-F100 HydrophobicContact CD-CZ 3.82Å; K98-F100 HydrophobicContact CG-CZ 4.16Å; F100-C103 HydrophobicContact CB-CB 4.15Å
101	V	80.7	Confident	85	Confident	51 Å²	51	52.5 Å²	52.5	31%	0.309	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.5	-179.5	-172.9	0	0	0	0	108.1	P57 H90 I92 C103	P57-V101 WeakPolarHBondContact CD-O 3.44Å; H90-V101 HydrophobicContact CB-CG1 4.44Å; I92-V101 HydrophobicContact CG1-CG1 4.47Å; I92-V101 HydrophobicContact CG1-CG2 4.26Å; V101-C103 PolarHBondContact O-N 3.32Å; V101-C103 VanDerWaalsContact O-N 3.08Å
102	D	79.7	Confident	85.7	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	26%	0.26	C	S	.	.	S	Bend	trans	52.4	30.8	174.9	-56.2	-38	0	0	0	116	H55 H90 T91 Q177 T180	H55-D102 HydrophobicContact CB-CB 4.23Å; H55-D102 IonicContact CD2-OD2 2.92Å; H55-D102 PolarHBondContact CD2-OD2 3.44Å; H55-D102 VanDerWaalsContact CD2-OD2 3.22Å; H55-D102 IonicContact NE2-OD2 3.33Å; H90-D102 VanDerWaalsContact CA-OD1 3.25Å; H90-D102 WeakPolarHBondContact CA-OD1 3.26Å; H90-D102 IonicContact CE1-OD2 3.64Å; H90-D102 IonicContact CG-OD2 3.6Å; H90-D102 IonicContact ND1-OD2 2.67Å; H90-D102 PolarHBondContact ND1-OD2 3.16Å; T91-D102 PolarHBondContact N-OD1 3.23Å; T91-D102 PolarHBondContact O-N 2.98Å; T91-D102 PolarHBondContact OG1-OD1 2.95Å; D102-Q177 PolarHBondContact O-NE2 3.49Å; D102-T180 HydrophobicContact CB-CG2 4.25Å
103	C	83.8	Confident	86.2	Confident	2 Å²	2	53 Å²	53	1%	0.014	27%	0.266	C	S	.	.	S	Bend	trans	-91.4	-40.4	176.2	-70.9	0	0	0	0	112.9	C56 F100 V101 Q177	C56-C103 WeakPolarHBondContact CA-SG 3.43Å; C56-C103 HydrophobicContact CB-CB 3.92Å; C56-C103 WeakPolarHBondContact CB-SG 3.32Å; C56-C103 WeakPolarHBondContact SG-CB 3.3Å; C56-C103 CovalentContact SG-SG 2.04Å; C56-C103 PolarHBondContact SG-SG 2.91Å; F100-C103 HydrophobicContact CB-CB 4.15Å; V101-C103 PolarHBondContact O-N 3.32Å; V101-C103 VanDerWaalsContact O-N 3.08Å; C103-Q177 PolarHBondContact O-NE2 3.27Å
104	V	87.3	Confident	86.7	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.012	29%	0.287	C	S	.	.			trans	-141.6	142.6	-163.5	-160.9	0	0	0	0	110.1	L61 F66 F72 I108 V109	L61-V104 HydrophobicContact CD1-CG2 4.23Å; F66-V104 HydrophobicContact CE1-CG1 4.23Å; F66-V104 HydrophobicContact CE1-CG2 4.45Å; F66-V104 HydrophobicContact CZ-CG1 4.16Å; F66-V104 HydrophobicContact CZ-CG2 4.11Å; F72-V104 WeakPolarHBondContact CE1-O 3.35Å; V104-I108 HydrophobicContact CG1-CB 3.75Å; V104-I108 HydrophobicContact CG1-CG2 3.55Å; V104-V109 HydrophobicContact CB-CG2 4.39Å; V104-V109 HydrophobicContact CG1-CG2 3.53Å
105	T	88.7	Confident	87.1	Confident	22 Å²	22	51.3 Å²	51.3	14%	0.135	27%	0.271	C	S	.	.			trans	-98.7	160.1	172.7	62.4	0	0	0	0	111.1	F72 E107 I108 V109 F176	F72-T105 VanDerWaalsContact CZ-C 3.49Å; T105-E107 PolarHBondContact O-N 3.25Å; T105-I108 HydrophobicContact CG2-CD1 4.36Å; T105-I108 PolarHBondContact O-N 2.9Å; T105-I108 VanDerWaalsContact O-N 3.16Å; T105-I108 WeakPolarHBondContact OG1-CD1 3.25Å; T105-I108 VanDerWaalsContact OG1-CG1 3.24Å; T105-I108 WeakPolarHBondContact OG1-CG1 3.31Å; T105-I108 PolarHBondContact OG1-N 2.95Å; T105-V109 PolarHBondContact O-N 2.97Å; T105-V109 VanDerWaalsContact O-N 3.1Å; T105-F176 HydrophobicContact CG2-CD1 4.2Å; T105-F176 HydrophobicContact CG2-CD2 3.35Å; T105-F176 HydrophobicContact CG2-CE1 4.12Å; T105-F176 HydrophobicContact CG2-CE2 3.25Å; T105-F176 HydrophobicContact CG2-CG 3.84Å; T105-F176 HydrophobicContact CG2-CZ 3.67Å
106	P	89.4	Confident	87.6	Confident	49 Å²	49	50.8 Å²	50.8	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-55.6	-38.5	173.5	21.6	-34.3	0	0	0	112.9	F72 I108 V109 D110	F72-P106 HydrophobicContact CD2-CB 4.04Å; F72-P106 VanDerWaalsContact CE2-CA 3.44Å; F72-P106 HydrophobicContact CE2-CB 3.72Å; F72-P106 HydrophobicContact CZ-CB 4.08Å; F72-P106 VanDerWaalsContact CZ-N 3.32Å; P106-I108 PolarHBondContact O-N 2.89Å; P106-V109 PolarHBondContact O-N 2.79Å; P106-D110 PolarHBondContact O-N 2.84Å
107	E	90.7	Very high	88.4	Confident	112 Å²	112	39.9 Å²	39.9	52%	0.523	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-45.1	176.5	-173.1	-178.4	177.5	0	0	112.2	T105 V109 D110 I111 L172	T105-E107 PolarHBondContact O-N 3.25Å; E107-V109 VanDerWaalsContact C-N 3.34Å; E107-V109 PolarHBondContact O-N 2.71Å; E107-D110 PolarHBondContact O-N 3.13Å; E107-I111 HydrophobicContact CG-CD1 4.36Å; E107-I111 VanDerWaalsContact O-CG1 3.31Å; E107-I111 WeakPolarHBondContact O-CG1 3.44Å; E107-I111 PolarHBondContact O-N 3.25Å; E107-L172 HydrophobicContact CG-CD2 4.04Å
108	I	92.1	Very high	89.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-42	177.9	-68.3	164.3	0	0	0	110.5	V104 T105 P106 D110 I111 F112 V169 L172 I173 F176	V104-I108 HydrophobicContact CG1-CB 3.75Å; V104-I108 HydrophobicContact CG1-CG2 3.55Å; T105-I108 HydrophobicContact CG2-CD1 4.36Å; T105-I108 PolarHBondContact O-N 2.9Å; T105-I108 VanDerWaalsContact O-N 3.16Å; T105-I108 WeakPolarHBondContact OG1-CD1 3.25Å; T105-I108 VanDerWaalsContact OG1-CG1 3.24Å; T105-I108 WeakPolarHBondContact OG1-CG1 3.31Å; T105-I108 PolarHBondContact OG1-N 2.95Å; P106-I108 PolarHBondContact O-N 2.89Å; I108-D110 PolarHBondContact O-N 3.04Å; I108-I111 PolarHBondContact O-N 2.74Å; I108-F112 HydrophobicContact CG2-CD2 3.52Å; I108-F112 HydrophobicContact CG2-CE2 3.35Å; I108-F112 WeakPolarHBondContact O-CD2 2.96Å; I108-F112 PolarHBondContact O-N 2.89Å; I108-V169 HydrophobicContact CG2-CG1 4.5Å; I108-L172 HydrophobicContact CD1-CG 4.21Å; I108-L172 HydrophobicContact CG1-CB 4.32Å; I108-L172 HydrophobicContact CG1-CD2 3.5Å; I108-L172 HydrophobicContact CG1-CG 3.69Å; I108-I173 HydrophobicContact CD1-CG1 3.99Å; I108-I173 HydrophobicContact CG2-CD1 4.5Å; I108-I173 HydrophobicContact CG2-CG1 4.13Å; I108-F176 HydrophobicContact CD1-CB 4.46Å
109	V	92.5	Very high	90.2	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.03	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-42.3	178.6	171.5	0	0	0	0	111.9	F66 F72 Y93 V104 T105 P106 E107 I111 F112 H113	F66-V109 HydrophobicContact CD1-CG1 4.24Å; F66-V109 HydrophobicContact CD1-CG2 3.96Å; F66-V109 HydrophobicContact CE1-CG2 3.64Å; F72-V109 HydrophobicContact CE2-CB 4.35Å; F72-V109 HydrophobicContact CE2-CG2 4.19Å; F72-V109 HydrophobicContact CZ-CB 4.1Å; F72-V109 HydrophobicContact CZ-CG2 3.53Å; Y93-V109 HydrophobicContact CD2-CG2 4.49Å; Y93-V109 HydrophobicContact CE2-CG1 4.42Å; Y93-V109 HydrophobicContact CE2-CG2 4.13Å; V104-V109 HydrophobicContact CB-CG2 4.39Å; V104-V109 HydrophobicContact CG1-CG2 3.53Å; T105-V109 PolarHBondContact O-N 2.97Å; T105-V109 VanDerWaalsContact O-N 3.1Å; P106-V109 PolarHBondContact O-N 2.79Å; E107-V109 VanDerWaalsContact C-N 3.34Å; E107-V109 PolarHBondContact O-N 2.71Å; V109-I111 VanDerWaalsContact C-N 3.32Å; V109-I111 PolarHBondContact O-N 2.82Å; V109-F112 WeakPolarHBondContact O-CB 3.34Å; V109-F112 PolarHBondContact O-N 3.49Å; V109-H113 WeakPolarHBondContact CG1-CE1 3.42Å; V109-H113 PolarHBondContact O-N 2.8Å; V109-H113 PolarHBondContact O-ND1 2.94Å
110	D	92.8	Very high	90.9	Very high	107 Å²	107	31.6 Å²	31.6	57%	0.572	18%	0.179	S	C	*	.	H	α-helix	trans	-63.5	-39.4	178	-73.1	-19.4	0	0	0	111.8	P106 E107 I108 H113 A114	P106-D110 PolarHBondContact O-N 2.84Å; E107-D110 PolarHBondContact O-N 3.13Å; I108-D110 PolarHBondContact O-N 3.04Å; D110-H113 PolarHBondContact O-N 3.46Å; D110-A114 PolarHBondContact O-N 2.87Å
111	I	94.5	Very high	91.6	Very high	34 Å²	34	35 Å²	35	17%	0.174	20%	0.196	C	C	.	.	H	α-helix	trans	-67.2	-38.5	175.3	-59.1	165	0	0	0	110.9	E107 I108 V109 A114 L115 I165 V169 L172	E107-I111 HydrophobicContact CG-CD1 4.36Å; E107-I111 VanDerWaalsContact O-CG1 3.31Å; E107-I111 WeakPolarHBondContact O-CG1 3.44Å; E107-I111 PolarHBondContact O-N 3.25Å; I108-I111 PolarHBondContact O-N 2.74Å; V109-I111 VanDerWaalsContact C-N 3.32Å; V109-I111 PolarHBondContact O-N 2.82Å; I111-A114 PolarHBondContact O-N 2.87Å; I111-L115 WeakPolarHBondContact O-CB 2.99Å; I111-L115 PolarHBondContact O-N 3.45Å; I111-I165 HydrophobicContact CG2-CG2 3.65Å; I111-V169 HydrophobicContact CB-CG2 4.03Å; I111-V169 HydrophobicContact CG2-CG2 3.24Å; I111-L172 HydrophobicContact CD1-CD2 3.66Å
112	F	93.4	Very high	92.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.3	-44	173.7	-87.8	-63.1	0	0	0	112.6	F49 L61 L63 F66 I108 V109 L115 I116 V169 I173	F49-F112 HydrophobicContact CD2-CE1 4.06Å; F49-F112 AromaticContact CD2-CZ 3.74Å; F49-F112 HydrophobicContact CD2-CZ 3.74Å; F49-F112 AromaticContact CE2-CE1 3.56Å; F49-F112 HydrophobicContact CE2-CE1 3.56Å; F49-F112 AromaticContact CE2-CZ 3.56Å; F49-F112 HydrophobicContact CE2-CZ 3.56Å; L61-F112 HydrophobicContact CD2-CE2 3.72Å; L61-F112 HydrophobicContact CD2-CZ 3.7Å; L61-F112 HydrophobicContact CG-CZ 4.31Å; L63-F112 HydrophobicContact CD2-CD1 3.36Å; L63-F112 HydrophobicContact CD2-CE1 3.77Å; F66-F112 HydrophobicContact CB-CB 4.24Å; F66-F112 HydrophobicContact CD2-CB 3.9Å; F66-F112 AromaticContact CD2-CD1 3.99Å; F66-F112 HydrophobicContact CD2-CD1 3.99Å; F66-F112 AromaticContact CD2-CD2 3.87Å; F66-F112 HydrophobicContact CD2-CD2 3.87Å; F66-F112 HydrophobicContact CD2-CE1 4.41Å; F66-F112 HydrophobicContact CD2-CE2 4.37Å; F66-F112 AromaticContact CD2-CG 3.67Å; F66-F112 HydrophobicContact CD2-CG 3.67Å; F66-F112 HydrophobicContact CE1-CD2 4.49Å; F66-F112 HydrophobicContact CE2-CB 4.41Å; F66-F112 HydrophobicContact CE2-CD1 4.12Å; F66-F112 AromaticContact CE2-CD2 3.49Å; F66-F112 HydrophobicContact CE2-CD2 3.49Å; F66-F112 VanDerWaalsContact CE2-CD2 3.49Å; F66-F112 HydrophobicContact CE2-CE1 4.17Å; F66-F112 AromaticContact CE2-CE2 3.62Å; F66-F112 HydrophobicContact CE2-CE2 3.62Å; F66-F112 AromaticContact CE2-CG 3.77Å; F66-F112 HydrophobicContact CE2-CG 3.77Å; F66-F112 AromaticContact CE2-CZ 3.96Å; F66-F112 HydrophobicContact CE2-CZ 3.96Å; F66-F112 HydrophobicContact CG-CB 4.04Å; F66-F112 HydrophobicContact CG-CD2 4.48Å; F66-F112 HydrophobicContact CG-CG 4.28Å; F66-F112 AromaticContact CZ-CD2 3.83Å; F66-F112 HydrophobicContact CZ-CD2 3.83Å; F66-F112 AromaticContact CZ-CE2 3.98Å; F66-F112 HydrophobicContact CZ-CE2 3.98Å; F66-F112 HydrophobicContact CZ-CG 4.46Å; I108-F112 HydrophobicContact CG2-CD2 3.52Å; I108-F112 HydrophobicContact CG2-CE2 3.35Å; I108-F112 WeakPolarHBondContact O-CD2 2.96Å; I108-F112 PolarHBondContact O-N 2.89Å; V109-F112 WeakPolarHBondContact O-CB 3.34Å; V109-F112 PolarHBondContact O-N 3.49Å; F112-L115 HydrophobicContact CD1-CD2 4.48Å; F112-L115 WeakPolarHBondContact O-CB 3.34Å; F112-L115 PolarHBondContact O-N 3.36Å; F112-I116 WeakPolarHBondContact O-CD1 3.33Å; F112-I116 VanDerWaalsContact O-CG1 3.29Å; F112-I116 WeakPolarHBondContact O-CG1 3.4Å; F112-I116 PolarHBondContact O-N 3.46Å; F112-V169 HydrophobicContact CE1-CG1 4.16Å; F112-V169 HydrophobicContact CE2-CG1 3.84Å; F112-V169 HydrophobicContact CZ-CG1 3.65Å; F112-I173 HydrophobicContact CE2-CD1 4.28Å; F112-I173 HydrophobicContact CZ-CD1 4.2Å
113	H	94.6	Very high	93	Very high	57 Å²	57	33.2 Å²	33.2	26%	0.264	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-42.4	174.5	-66.2	141.9	0	0	0	112	F66 V109 D110 L115 I116 G117	F66-H113 PolarHBondContact O-CD2 3.2Å; F66-H113 PolarHBondContact O-NE2 3.36Å; F66-H113 VanDerWaalsContact O-NE2 3.1Å; V109-H113 WeakPolarHBondContact CG1-CE1 3.42Å; V109-H113 PolarHBondContact O-N 2.8Å; V109-H113 PolarHBondContact O-ND1 2.94Å; D110-H113 PolarHBondContact O-N 3.46Å; H113-L115 VanDerWaalsContact C-N 3.33Å; H113-L115 PolarHBondContact O-N 3.09Å; H113-I116 PolarHBondContact O-N 2.9Å; H113-G117 PolarHBondContact O-N 3.36Å
114	A	95.1	Very high	93.5	Very high	53 Å²	53	38.2 Å²	38.2	44%	0.438	21%	0.21	S	C	.	.	H	α-helix	trans	-61	-42.5	175.1	0	0	0	0	0	111.7	D110 I111 G117 V118	D110-A114 PolarHBondContact O-N 2.87Å; I111-A114 PolarHBondContact O-N 2.87Å; A114-G117 PolarHBondContact O-N 3.03Å; A114-V118 VanDerWaalsContact O-CG2 3.3Å; A114-V118 WeakPolarHBondContact O-CG2 3.06Å; A114-V118 PolarHBondContact O-N 3.49Å
115	L	95.2	Very high	93.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-46.3	176.7	-178.5	58.9	0	0	0	111.7	W48 L63 I111 F112 H113 G117 V118 I119 T162 I165	W48-L115 HydrophobicContact CE3-CD2 4.43Å; W48-L115 HydrophobicContact CZ3-CD2 3.91Å; W48-L115 HydrophobicContact CZ3-CG 4.49Å; L63-L115 HydrophobicContact CD2-CD2 3.89Å; L63-L115 HydrophobicContact CD2-CG 4.33Å; I111-L115 WeakPolarHBondContact O-CB 2.99Å; I111-L115 PolarHBondContact O-N 3.45Å; F112-L115 HydrophobicContact CD1-CD2 4.48Å; F112-L115 WeakPolarHBondContact O-CB 3.34Å; F112-L115 PolarHBondContact O-N 3.36Å; H113-L115 VanDerWaalsContact C-N 3.33Å; H113-L115 PolarHBondContact O-N 3.09Å; L115-G117 VanDerWaalsContact C-N 3.32Å; L115-G117 PolarHBondContact O-N 2.69Å; L115-V118 PolarHBondContact O-N 3.29Å; L115-I119 HydrophobicContact CD1-CD1 4.24Å; L115-I119 HydrophobicContact CG-CD1 4.06Å; L115-I119 WeakPolarHBondContact O-CD1 3.47Å; L115-I119 VanDerWaalsContact O-CG1 3.26Å; L115-I119 WeakPolarHBondContact O-CG1 3.43Å; L115-I119 PolarHBondContact O-N 3.45Å; L115-T162 HydrophobicContact CD1-CG2 3.72Å; L115-I165 HydrophobicContact CB-CG2 4.08Å; L115-I165 HydrophobicContact CD1-CB 4.16Å; L115-I165 HydrophobicContact CD1-CG2 3.89Å; L115-I165 HydrophobicContact CD2-CG2 4.35Å; L115-I165 HydrophobicContact CG-CG2 4.35Å
116	I	94.4	Very high	94.1	Very high	14 Å²	14	38.6 Å²	38.6	7%	0.072	21%	0.211	C	C	.	.	H	α-helix	trans	-57.7	-46.8	174.3	-68.3	160	0	0	0	110.3	L63 F66 Y67 F112 H113 V118 I119 F120	L63-I116 HydrophobicContact CB-CD1 4.34Å; L63-I116 HydrophobicContact CB-CG1 4.12Å; L63-I116 HydrophobicContact CD1-CG1 3.98Å; L63-I116 HydrophobicContact CD2-CD1 4.46Å; L63-I116 HydrophobicContact CD2-CG1 4.03Å; L63-I116 HydrophobicContact CG-CG1 4.28Å; F66-I116 HydrophobicContact CB-CD1 4.14Å; Y67-I116 HydrophobicContact CD1-CD1 3.89Å; Y67-I116 HydrophobicContact CD1-CG1 4.46Å; Y67-I116 HydrophobicContact CD1-CG2 4.23Å; Y67-I116 HydrophobicContact CE1-CD1 4.01Å; Y67-I116 HydrophobicContact CE1-CG1 4.13Å; Y67-I116 HydrophobicContact CE1-CG2 3.99Å; F112-I116 WeakPolarHBondContact O-CD1 3.33Å; F112-I116 VanDerWaalsContact O-CG1 3.29Å; F112-I116 WeakPolarHBondContact O-CG1 3.4Å; F112-I116 PolarHBondContact O-N 3.46Å; H113-I116 PolarHBondContact O-N 2.9Å; I116-V118 PolarHBondContact O-N 3.12Å; I116-I119 PolarHBondContact O-N 3.37Å; I116-F120 HydrophobicContact CG2-CD2 3.64Å; I116-F120 HydrophobicContact CG2-CE2 3.42Å; I116-F120 VanDerWaalsContact CG2-CE2 3.42Å; I116-F120 WeakPolarHBondContact O-CD2 3.29Å; I116-F120 PolarHBondContact O-N 3.02Å
117	G	95.5	Very high	94.2	Very high	30 Å²	30	40.3 Å²	40.3	31%	0.309	21%	0.213	S	C	.	.	H	α-helix	trans	-58.7	-44.3	176.9	0	0	0	0	0	113.1	H113 A114 L115 I119 F120 I121	H113-G117 PolarHBondContact O-N 3.36Å; A114-G117 PolarHBondContact O-N 3.03Å; L115-G117 VanDerWaalsContact C-N 3.32Å; L115-G117 PolarHBondContact O-N 2.69Å; G117-I119 PolarHBondContact O-N 3.05Å; G117-F120 PolarHBondContact O-N 3.33Å; G117-I121 WeakPolarHBondContact O-CG1 3.45Å; G117-I121 PolarHBondContact O-N 2.88Å
118	V	96.1	Very high	94.2	Very high	15 Å²	15	37.1 Å²	37.1	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-42.3	176	169.2	0	0	0	0	111.6	A114 L115 I116 I121 T122 F158 F161 T162 I165	A114-V118 VanDerWaalsContact O-CG2 3.3Å; A114-V118 WeakPolarHBondContact O-CG2 3.06Å; A114-V118 PolarHBondContact O-N 3.49Å; L115-V118 PolarHBondContact O-N 3.29Å; I116-V118 PolarHBondContact O-N 3.12Å; V118-I121 PolarHBondContact O-N 3.42Å; V118-T122 WeakPolarHBondContact O-CB 3.22Å; V118-T122 PolarHBondContact O-N 2.94Å; V118-T122 PolarHBondContact O-OG1 3.19Å; V118-F158 HydrophobicContact CG1-CD1 4.03Å; V118-F161 HydrophobicContact CG1-CD1 3.89Å; V118-F161 HydrophobicContact CG2-CD1 3.89Å; V118-F161 HydrophobicContact CG2-CE1 3.65Å; V118-T162 WeakPolarHBondContact CG1-OG1 3.4Å; V118-I165 HydrophobicContact CG2-CD1 4.44Å
119	I	95.3	Very high	94	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-65.1	-41.4	178.5	-64.6	159.4	0	0	0	110.4	L43 W48 L63 L115 I116 G117 I121 T122 L123 T162	L43-I119 HydrophobicContact CD1-CG2 3.84Å; L43-I119 HydrophobicContact CD2-CB 4.23Å; L43-I119 HydrophobicContact CD2-CD1 4.13Å; L43-I119 HydrophobicContact CD2-CG2 3.79Å; L43-I119 HydrophobicContact CG-CG2 3.81Å; W48-I119 HydrophobicContact CH2-CD1 3.53Å; W48-I119 HydrophobicContact CZ2-CD1 4.29Å; W48-I119 HydrophobicContact CZ3-CD1 4.32Å; L63-I119 HydrophobicContact CD1-CD1 3.44Å; L63-I119 VanDerWaalsContact CD1-CD1 3.44Å; L115-I119 HydrophobicContact CD1-CD1 4.24Å; L115-I119 HydrophobicContact CG-CD1 4.06Å; L115-I119 WeakPolarHBondContact O-CD1 3.47Å; L115-I119 VanDerWaalsContact O-CG1 3.26Å; L115-I119 WeakPolarHBondContact O-CG1 3.43Å; L115-I119 PolarHBondContact O-N 3.45Å; I116-I119 PolarHBondContact O-N 3.37Å; G117-I119 PolarHBondContact O-N 3.05Å; I119-I121 PolarHBondContact O-N 3.38Å; I119-T122 WeakPolarHBondContact O-CB 3.33Å; I119-T122 PolarHBondContact O-N 3.48Å; I119-L123 WeakPolarHBondContact O-CB 3.41Å; I119-L123 PolarHBondContact O-N 3.01Å; I119-T162 HydrophobicContact CD1-CG2 4.42Å; I119-T162 HydrophobicContact CG1-CG2 3.96Å
120	F	95.8	Very high	93.8	Very high	96 Å²	96	38.2 Å²	38.2	42%	0.421	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-43.1	173.8	-82.4	-64.7	0	0	0	112.5	L43 I116 G117 T122 L123 M124	L43-F120 HydrophobicContact CD1-CE1 4.36Å; L43-F120 HydrophobicContact CD1-CZ 4.43Å; I116-F120 HydrophobicContact CG2-CD2 3.64Å; I116-F120 HydrophobicContact CG2-CE2 3.42Å; I116-F120 VanDerWaalsContact CG2-CE2 3.42Å; I116-F120 WeakPolarHBondContact O-CD2 3.29Å; I116-F120 PolarHBondContact O-N 3.02Å; G117-F120 PolarHBondContact O-N 3.33Å; F120-T122 VanDerWaalsContact C-N 3.33Å; F120-T122 PolarHBondContact O-N 3.18Å; F120-L123 WeakPolarHBondContact O-CB 3.42Å; F120-L123 PolarHBondContact O-N 2.75Å; F120-M124 WeakPolarHBondContact O-CG 3.23Å; F120-M124 PolarHBondContact O-N 3.22Å
121	I	95.4	Very high	93.4	Very high	80 Å²	80	37.5 Å²	37.5	41%	0.41	21%	0.205	S	C	.	.	H	α-helix	trans	-60.6	-46	174.6	-68	165.8	0	0	0	110.2	G117 V118 I119 L123 M124 L125 F158	G117-I121 WeakPolarHBondContact O-CG1 3.45Å; G117-I121 PolarHBondContact O-N 2.88Å; V118-I121 PolarHBondContact O-N 3.42Å; I119-I121 PolarHBondContact O-N 3.38Å; I121-L123 VanDerWaalsContact C-N 3.29Å; I121-L123 PolarHBondContact O-N 3.35Å; I121-M124 PolarHBondContact O-N 2.99Å; I121-L125 HydrophobicContact CG2-CD1 3.96Å; I121-L125 VanDerWaalsContact O-CD1 3.26Å; I121-L125 WeakPolarHBondContact O-CD1 3.26Å; I121-L125 PolarHBondContact O-N 3.28Å; I121-F158 HydrophobicContact CG2-CD2 4.31Å; I121-F158 HydrophobicContact CG2-CE1 4.19Å; I121-F158 HydrophobicContact CG2-CE2 3.81Å; I121-F158 HydrophobicContact CG2-CZ 3.74Å
122	T	95.3	Very high	92.9	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-58.4	-42.9	177.4	-53.6	0	0	0	0	111.2	L39 V118 I119 F120 L125 A126 L155 F158 F205	L39-T122 HydrophobicContact CD1-CG2 3.96Å; V118-T122 WeakPolarHBondContact O-CB 3.22Å; V118-T122 PolarHBondContact O-N 2.94Å; V118-T122 PolarHBondContact O-OG1 3.19Å; I119-T122 WeakPolarHBondContact O-CB 3.33Å; I119-T122 PolarHBondContact O-N 3.48Å; F120-T122 VanDerWaalsContact C-N 3.33Å; F120-T122 PolarHBondContact O-N 3.18Å; T122-L125 PolarHBondContact O-N 3.49Å; T122-A126 VanDerWaalsContact O-CB 3.29Å; T122-A126 WeakPolarHBondContact O-CB 3.35Å; T122-A126 PolarHBondContact O-N 2.81Å; T122-L155 HydrophobicContact CG2-CD1 3.75Å; T122-F158 HydrophobicContact CG2-CB 4.39Å; T122-F158 WeakPolarHBondContact OG1-CB 3.19Å; T122-F205 HydrophobicContact CG2-CE2 4.47Å
123	L	95.5	Very high	92.2	Very high	16 Å²	16	37.7 Å²	37.7	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-45.1	177.8	-168.5	69.5	0	0	0	111.4	I36 L39 I119 F120 I121 L125 A126 F127	I36-L123 HydrophobicContact CB-CD1 4.43Å; I36-L123 HydrophobicContact CG1-CD1 4.49Å; I36-L123 HydrophobicContact CG2-CD1 3.87Å; L39-L123 HydrophobicContact CB-CD1 4.23Å; L39-L123 HydrophobicContact CD1-CD1 4.39Å; I119-L123 WeakPolarHBondContact O-CB 3.41Å; I119-L123 PolarHBondContact O-N 3.01Å; F120-L123 WeakPolarHBondContact O-CB 3.42Å; F120-L123 PolarHBondContact O-N 2.75Å; I121-L123 VanDerWaalsContact C-N 3.29Å; I121-L123 PolarHBondContact O-N 3.35Å; L123-L125 PolarHBondContact O-N 2.83Å; L123-A126 WeakPolarHBondContact O-CB 3.11Å; L123-A126 PolarHBondContact O-N 3.24Å; L123-F127 HydrophobicContact CD1-CD2 4.42Å; L123-F127 HydrophobicContact CD1-CE2 3.94Å; L123-F127 HydrophobicContact CD2-CE2 4.06Å; L123-F127 HydrophobicContact CG-CD2 3.94Å; L123-F127 HydrophobicContact CG-CE2 3.63Å; L123-F127 WeakPolarHBondContact O-CD2 3.1Å; L123-F127 PolarHBondContact O-N 2.87Å
124	M	94.7	Very high	91.4	Very high	108 Å²	108	37.8 Å²	37.8	53%	0.532	22%	0.219	S	C	.	.	H	α-helix	trans	-64.3	-39.4	176.8	-66.1	-60.1	142.8	0	0	112.3	F120 I121 S128	F120-M124 WeakPolarHBondContact O-CG 3.23Å; F120-M124 PolarHBondContact O-N 3.22Å; I121-M124 PolarHBondContact O-N 2.99Å; M124-S128 WeakPolarHBondContact O-CB 3.38Å; M124-S128 PolarHBondContact O-N 2.83Å; M124-S128 PolarHBondContact O-OG 3.38Å
125	L	93.9	Very high	90.5	Very high	30 Å²	30	37.5 Å²	37.5	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-41.3	174	-93.5	62	0	0	0	111.6	I121 T122 L123 S128 N129 F151 F154 F158	I121-L125 HydrophobicContact CG2-CD1 3.96Å; I121-L125 VanDerWaalsContact O-CD1 3.26Å; I121-L125 WeakPolarHBondContact O-CD1 3.26Å; I121-L125 PolarHBondContact O-N 3.28Å; T122-L125 PolarHBondContact O-N 3.49Å; L123-L125 PolarHBondContact O-N 2.83Å; L125-S128 PolarHBondContact O-N 3.33Å; L125-N129 WeakPolarHBondContact O-CB 3.46Å; L125-N129 PolarHBondContact O-N 2.94Å; L125-F151 HydrophobicContact CG-CD1 4.47Å; L125-F154 HydrophobicContact CD2-CB 3.43Å; L125-F154 VanDerWaalsContact CD2-CB 3.43Å; L125-F154 HydrophobicContact CD2-CG 4.37Å; L125-F158 HydrophobicContact CD2-CD2 3.58Å; L125-F158 HydrophobicContact CD2-CE2 3.62Å
126	A	93.6	Very high	89.1	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-47.5	176.5	0	0	0	0	0	111.9	I36 T122 L123 S128 N129 V130 L155 F205	I36-A126 HydrophobicContact CD1-CB 4.15Å; I36-A126 HydrophobicContact CG1-CB 3.78Å; T122-A126 VanDerWaalsContact O-CB 3.29Å; T122-A126 WeakPolarHBondContact O-CB 3.35Å; T122-A126 PolarHBondContact O-N 2.81Å; L123-A126 WeakPolarHBondContact O-CB 3.11Å; L123-A126 PolarHBondContact O-N 3.24Å; A126-S128 VanDerWaalsContact C-N 3.32Å; A126-S128 PolarHBondContact O-N 3.23Å; A126-N129 WeakPolarHBondContact O-CB 3.32Å; A126-N129 PolarHBondContact O-N 3.11Å; A126-V130 WeakPolarHBondContact O-CG2 3.42Å; A126-V130 PolarHBondContact O-N 2.87Å; A126-L155 HydrophobicContact CB-CD1 4.13Å; A126-F205 HydrophobicContact CB-CE1 3.49Å; A126-F205 VanDerWaalsContact CB-CE1 3.49Å; A126-F205 HydrophobicContact CB-CZ 3.51Å
127	F	92.7	Very high	87.1	Confident	85 Å²	85	47.3 Å²	47.3	37%	0.373	26%	0.262	S	S	.	.	H	α-helix	trans	-57.4	-46.4	174.1	-83.7	-64.4	0	0	0	111.5	I36 L123 N129 V130 I131	I36-F127 HydrophobicContact CD1-CD1 3.84Å; I36-F127 HydrophobicContact CD1-CE1 4.04Å; I36-F127 HydrophobicContact CD1-CG 4.18Å; I36-F127 HydrophobicContact CG2-CE1 3.77Å; I36-F127 HydrophobicContact CG2-CE2 3.93Å; I36-F127 HydrophobicContact CG2-CZ 3.42Å; I36-F127 VanDerWaalsContact CG2-CZ 3.42Å; L123-F127 HydrophobicContact CD1-CD2 4.42Å; L123-F127 HydrophobicContact CD1-CE2 3.94Å; L123-F127 HydrophobicContact CD2-CE2 4.06Å; L123-F127 HydrophobicContact CG-CD2 3.94Å; L123-F127 HydrophobicContact CG-CE2 3.63Å; L123-F127 WeakPolarHBondContact O-CD2 3.1Å; L123-F127 PolarHBondContact O-N 2.87Å; F127-N129 VanDerWaalsContact C-N 3.3Å; F127-N129 PolarHBondContact O-N 3.11Å; F127-V130 PolarHBondContact O-N 3.44Å; F127-I131 VanDerWaalsContact O-CG1 3.28Å; F127-I131 WeakPolarHBondContact O-CG1 3.35Å; F127-I131 PolarHBondContact O-N 3.36Å
128	S	89.6	Confident	85.3	Confident	45 Å²	45	52.3 Å²	52.3	32%	0.315	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-42.2	176.9	-58.6	0	0	0	0	111.7	M124 L125 A126 I131 V132	M124-S128 WeakPolarHBondContact O-CB 3.38Å; M124-S128 PolarHBondContact O-N 2.83Å; M124-S128 PolarHBondContact O-OG 3.38Å; L125-S128 PolarHBondContact O-N 3.33Å; A126-S128 VanDerWaalsContact C-N 3.32Å; A126-S128 PolarHBondContact O-N 3.23Å; S128-I131 PolarHBondContact O-N 2.84Å; S128-V132 VanDerWaalsContact O-CG2 3.27Å; S128-V132 WeakPolarHBondContact O-CG2 3.24Å; S128-V132 PolarHBondContact O-N 3.34Å
129	N	88.1	Confident	83.4	Confident	13 Å²	13	61.2 Å²	61.2	7%	0.07	31%	0.313	C	S	.	.	H	α-helix	trans	-66.2	-39.8	178.1	-167	39	0	0	0	112.7	L125 A126 F127 V132 S133 F151 N152	L125-N129 WeakPolarHBondContact O-CB 3.46Å; L125-N129 PolarHBondContact O-N 2.94Å; A126-N129 WeakPolarHBondContact O-CB 3.32Å; A126-N129 PolarHBondContact O-N 3.11Å; F127-N129 VanDerWaalsContact C-N 3.3Å; F127-N129 PolarHBondContact O-N 3.11Å; N129-V132 PolarHBondContact O-N 2.99Å; N129-S133 WeakPolarHBondContact O-CB 3.47Å; N129-S133 PolarHBondContact O-N 3.02Å; N129-S133 PolarHBondContact O-OG 3.38Å; N129-F151 HydrophobicContact CB-CB 4.33Å; N129-N152 PolarHBondContact ND2-OD1 3.44Å; N129-N152 PolarHBondContact OD1-OD1 3.33Å
130	V	88.1	Confident	81.9	Confident	16 Å²	16	63.5 Å²	63.5	10%	0.097	34%	0.337	C	S	.	.	H	α-helix	trans	-65.7	-43.4	175.2	170.1	0	0	0	0	110.7	T29 L33 I36 A126 F127 V132 S133 A134	T29-V130 HydrophobicContact CG2-CG1 4.09Å; L33-V130 HydrophobicContact CD2-CG1 4.09Å; L33-V130 HydrophobicContact CG-CG1 4.32Å; I36-V130 HydrophobicContact CD1-CB 4.45Å; I36-V130 HydrophobicContact CD1-CG2 3.81Å; A126-V130 WeakPolarHBondContact O-CG2 3.42Å; A126-V130 PolarHBondContact O-N 2.87Å; F127-V130 PolarHBondContact O-N 3.44Å; V130-V132 VanDerWaalsContact C-N 3.32Å; V130-V132 PolarHBondContact O-N 3.41Å; V130-S133 PolarHBondContact O-N 3.44Å; V130-S133 VanDerWaalsContact O-N 3.13Å; V130-A134 VanDerWaalsContact O-CB 3.3Å; V130-A134 WeakPolarHBondContact O-CB 3.46Å; V130-A134 PolarHBondContact O-N 2.9Å
131	I	85.8	Confident	80	Confident	92 Å²	92	63.6 Å²	63.6	47%	0.472	35%	0.347	S	S	.	.	H	α-helix	trans	-59.9	-43.9	174.5	-67.6	164.4	0	0	0	110.3	F127 S128 S133 A134 C135 F142	F127-I131 VanDerWaalsContact O-CG1 3.28Å; F127-I131 WeakPolarHBondContact O-CG1 3.35Å; F127-I131 PolarHBondContact O-N 3.36Å; S128-I131 PolarHBondContact O-N 2.84Å; I131-S133 VanDerWaalsContact C-N 3.28Å; I131-S133 PolarHBondContact O-N 3.3Å; I131-A134 PolarHBondContact O-N 2.87Å; I131-C135 VanDerWaalsContact O-CB 3.26Å; I131-C135 WeakPolarHBondContact O-CB 3.44Å; I131-C135 PolarHBondContact O-N 3.28Å; I131-C135 PolarHBondContact O-SG 3.42Å; I131-F142 HydrophobicContact CG2-CZ 4.44Å
132	V	82.2	Confident	78.4	Confident	21 Å²	21	62.1 Å²	62.1	13%	0.127	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-33.9	176.5	173.2	0	0	0	0	112.6	S128 N129 V130 F142 I145	S128-V132 VanDerWaalsContact O-CG2 3.27Å; S128-V132 WeakPolarHBondContact O-CG2 3.24Å; S128-V132 PolarHBondContact O-N 3.34Å; N129-V132 PolarHBondContact O-N 2.99Å; V130-V132 VanDerWaalsContact C-N 3.32Å; V130-V132 PolarHBondContact O-N 3.41Å; V132-F142 HydrophobicContact CB-CE1 4.17Å; V132-F142 HydrophobicContact CB-CZ 4.2Å; V132-F142 HydrophobicContact CG1-CE1 4.13Å; V132-F142 HydrophobicContact CG2-CE1 4.19Å; V132-F142 HydrophobicContact CG2-CE2 4.39Å; V132-F142 HydrophobicContact CG2-CZ 3.87Å; V132-I145 HydrophobicContact CG1-CG2 4.14Å; V132-I145 HydrophobicContact CG2-CG2 3.73Å
133	S	79.2	Confident	76.9	Confident	17 Å²	17	69.9 Å²	69.9	12%	0.119	37%	0.367	C	S	.	.	H	α-helix	trans	-76.5	-34.9	178.1	-58.9	0	0	0	0	112.6	S25 N129 V130 I131	S25-S133 PolarHBondContact OG-O 2.94Å; N129-S133 WeakPolarHBondContact O-CB 3.47Å; N129-S133 PolarHBondContact O-N 3.02Å; N129-S133 PolarHBondContact O-OG 3.38Å; V130-S133 PolarHBondContact O-N 3.44Å; V130-S133 VanDerWaalsContact O-N 3.13Å; I131-S133 VanDerWaalsContact C-N 3.28Å; I131-S133 PolarHBondContact O-N 3.3Å
134	A	78.2	Confident	75.2	Confident	58 Å²	58	78.3 Å²	78.3	48%	0.479	40%	0.398	S	S	.	.	H	α-helix	trans	-80.8	-40.6	-179.9	0	0	0	0	0	112.6	T29 V130 I131 E136	T29-A134 HydrophobicContact CG2-CB 4.49Å; V130-A134 VanDerWaalsContact O-CB 3.3Å; V130-A134 WeakPolarHBondContact O-CB 3.46Å; V130-A134 PolarHBondContact O-N 2.9Å; I131-A134 PolarHBondContact O-N 2.87Å; A134-E136 PolarHBondContact O-N 3.33Å; A134-E136 VanDerWaalsContact O-N 3.12Å
135	C	76.4	Confident	73.7	Confident	48 Å²	48	76.2 Å²	76.2	32%	0.324	39%	0.388	S	S	.	.			trans	-80.1	92	177.8	-65.6	0	0	0	0	110.3	I131 L137 F142	I131-C135 VanDerWaalsContact O-CB 3.26Å; I131-C135 WeakPolarHBondContact O-CB 3.44Å; I131-C135 PolarHBondContact O-N 3.28Å; I131-C135 PolarHBondContact O-SG 3.42Å; C135-L137 PolarHBondContact O-N 3.1Å; C135-F142 HydrophobicContact CB-CE1 3.65Å; C135-F142 HydrophobicContact CB-CE2 4.4Å; C135-F142 HydrophobicContact CB-CZ 3.51Å; C135-F142 WeakPolarHBondContact O-CE1 3.42Å
136	E	65.1	Low	72.3	Confident	110 Å²	110	79.7 Å²	79.7	51%	0.514	40%	0.399	S	S	.	.			trans	-72.4	27.6	170.3	-61.5	-158.6	140.7	0	0	113.6	A134 N138 K215	A134-E136 PolarHBondContact O-N 3.33Å; A134-E136 VanDerWaalsContact O-N 3.12Å; E136-N138 PolarHBondContact O-N 2.89Å; E136-N138 VanDerWaalsContact O-N 3.15Å; E136-K215 IonicContact OE1-NZ 2.92Å; E136-K215 PolarHBondContact OE1-NZ 3.04Å
137	L	53.5	Low	71	Confident	110 Å²	110	84.5 Å²	84.5	58%	0.576	43%	0.429	S	S	*	.			trans	-73.7	110.7	-177	-92.9	73.7	0	0	0	110.7	C135 R139	C135-L137 PolarHBondContact O-N 3.1Å; L137-R139 PolarHBondContact O-N 3.44Å
138	N	57.9	Low	69.7	Low	134 Å²	134	85 Å²	85	72%	0.717	44%	0.435	S	S	*	.			trans	-75.8	43.8	176.6	-168.7	32.6	0	0	0	113.1	E136	E136-N138 PolarHBondContact O-N 2.89Å; E136-N138 VanDerWaalsContact O-N 3.15Å
139	R	54.9	Low	68.9	Low	202 Å²	202	85 Å²	85	76%	0.762	44%	0.436	S	S	*	.			trans	-116.2	121.7	179.5	-69	-169.8	-173.3	166.7	3.1	112.6	L137 P141 F142	L137-R139 PolarHBondContact O-N 3.44Å; R139-P141 WeakPolarHBondContact O-CD 3.44Å; R139-F142 WeakPolarHBondContact O-CB 3.3Å; R139-F142 PolarHBondContact O-N 2.95Å
140	G	64.5	Low	68.6	Low	50 Å²	50	87.1 Å²	87.1	52%	0.515	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.1	-109.2	161.7	0	0	0	0	0	116.5	F142 R143	G140-F142 PolarHBondContact O-N 2.83Å; G140-R143 VanDerWaalsContact O-CB 3.26Å; G140-R143 WeakPolarHBondContact O-CB 3.15Å; G140-R143 PolarHBondContact O-N 3.41Å
141	P	56.7	Low	68.5	Low	97 Å²	97	89.2 Å²	89.2	63%	0.63	46%	0.457	S	S	*	.	H	α-helix	trans	-63.2	-29.5	-171.5	26.7	-34.7	0	0	0	112.6	R139 R143 W144 I145	R139-P141 WeakPolarHBondContact O-CD 3.44Å; P141-R143 PolarHBondContact O-N 2.92Å; P141-W144 WeakPolarHBondContact O-CB 3.4Å; P141-W144 PolarHBondContact O-N 3.44Å; P141-W144 VanDerWaalsContact O-N 3.12Å; P141-I145 PolarHBondContact O-N 3.39Å
142	F	60.5	Low	68.5	Low	49 Å²	49	85.6 Å²	85.6	22%	0.215	44%	0.438	C	S	.	.	H	α-helix	trans	-62.7	-31.4	175.9	-131.1	-98.8	0	0	0	112.2	I131 V132 C135 R139 G140 R146	I131-F142 HydrophobicContact CG2-CZ 4.44Å; V132-F142 HydrophobicContact CB-CE1 4.17Å; V132-F142 HydrophobicContact CB-CZ 4.2Å; V132-F142 HydrophobicContact CG1-CE1 4.13Å; V132-F142 HydrophobicContact CG2-CE1 4.19Å; V132-F142 HydrophobicContact CG2-CE2 4.39Å; V132-F142 HydrophobicContact CG2-CZ 3.87Å; C135-F142 HydrophobicContact CB-CE1 3.65Å; C135-F142 HydrophobicContact CB-CE2 4.4Å; C135-F142 HydrophobicContact CB-CZ 3.51Å; C135-F142 WeakPolarHBondContact O-CE1 3.42Å; R139-F142 WeakPolarHBondContact O-CB 3.3Å; R139-F142 PolarHBondContact O-N 2.95Å; G140-F142 PolarHBondContact O-N 2.83Å; F142-R146 WeakPolarHBondContact O-CB 3.27Å; F142-R146 PolarHBondContact O-N 3.39Å
143	R	63.9	Low	68.8	Low	166 Å²	166	89 Å²	89	63%	0.626	46%	0.458	S	S	*	.	H	α-helix	trans	-69.5	-38.5	175	-172.3	176.7	173.6	174.3	-2.9	111.8	G140 P141 T147	G140-R143 VanDerWaalsContact O-CB 3.26Å; G140-R143 WeakPolarHBondContact O-CB 3.15Å; G140-R143 PolarHBondContact O-N 3.41Å; P141-R143 PolarHBondContact O-N 2.92Å; R143-T147 WeakPolarHBondContact O-CB 3.48Å; R143-T147 PolarHBondContact O-N 2.9Å; R143-T147 PolarHBondContact O-OG1 2.91Å
144	W	60	Low	69.4	Low	193 Å²	193	93 Å²	93	73%	0.731	47%	0.474	S	S	*	.	H	α-helix	trans	-65.2	-50.1	175.9	-86.6	78.5	0	0	0	111.3	P141 R146 T147 N148	P141-W144 WeakPolarHBondContact O-CB 3.4Å; P141-W144 PolarHBondContact O-N 3.44Å; P141-W144 VanDerWaalsContact O-N 3.12Å; W144-R146 VanDerWaalsContact C-N 3.3Å; W144-R146 PolarHBondContact O-N 3.17Å; W144-T147 PolarHBondContact O-N 2.94Å; W144-T147 VanDerWaalsContact O-N 3.08Å; W144-N148 PolarHBondContact O-N 3.4Å
145	I	63.7	Low	70	Confident	64 Å²	64	90.5 Å²	90.5	33%	0.328	45%	0.453	S	S	.	.	H	α-helix	trans	-56.9	-45.4	177.7	-73.7	169.1	0	0	0	111.1	V132 P141 T147 N148 F151	V132-I145 HydrophobicContact CG1-CG2 4.14Å; V132-I145 HydrophobicContact CG2-CG2 3.73Å; P141-I145 PolarHBondContact O-N 3.39Å; I145-T147 VanDerWaalsContact C-N 3.33Å; I145-T147 PolarHBondContact O-N 3.43Å; I145-N148 PolarHBondContact O-N 3.25Å; I145-F151 HydrophobicContact CG1-CE2 4.48Å; I145-F151 HydrophobicContact CG2-CD2 3.77Å; I145-F151 HydrophobicContact CG2-CE2 3.45Å; I145-F151 VanDerWaalsContact CG2-CE2 3.45Å
146	R	64.3	Low	70.7	Confident	103 Å²	103	91.1 Å²	91.1	39%	0.389	46%	0.455	S	S	.	.	H	α-helix	trans	-66.5	-33.2	178.1	-175.9	-179	159.4	125.5	6.3	112.8	F142 W144	F142-R146 WeakPolarHBondContact O-CB 3.27Å; F142-R146 PolarHBondContact O-N 3.39Å; W144-R146 VanDerWaalsContact C-N 3.3Å; W144-R146 PolarHBondContact O-N 3.17Å
147	T	65.1	Low	72.1	Confident	102 Å²	102	91.6 Å²	91.6	63%	0.626	46%	0.455	S	S	*	.	H	α-helix	trans	-67	-39.6	-179.6	-57.9	0	0	0	0	111.5	R143 W144 I145	R143-T147 WeakPolarHBondContact O-CB 3.48Å; R143-T147 PolarHBondContact O-N 2.9Å; R143-T147 PolarHBondContact O-OG1 2.91Å; W144-T147 PolarHBondContact O-N 2.94Å; W144-T147 VanDerWaalsContact O-N 3.08Å; I145-T147 VanDerWaalsContact C-N 3.33Å; I145-T147 PolarHBondContact O-N 3.43Å
148	N	65.8	Low	74	Confident	95 Å²	95	88.1 Å²	88.1	51%	0.508	44%	0.436	S	S	.	.	H	α-helix	trans	-88.9	-5.1	-169.1	-68.5	-16.4	0	0	0	114.3	W144 I145 V150	W144-N148 PolarHBondContact O-N 3.4Å; I145-N148 PolarHBondContact O-N 3.25Å; N148-V150 HydrophobicContact CB-CG2 3.19Å; N148-V150 WeakPolarHBondContact O-CG2 3.28Å; N148-V150 PolarHBondContact O-N 2.91Å
149	S	73.8	Confident	75.7	Confident	46 Å²	46	82.5 Å²	82.5	32%	0.322	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	23.6	-178.8	-171.8	0	0	0	0	114.1	F151 N152 V153	S149-F151 VanDerWaalsContact C-N 3.34Å; S149-F151 PolarHBondContact O-N 2.87Å; S149-N152 WeakPolarHBondContact O-CB 3.47Å; S149-N152 PolarHBondContact O-N 3.33Å; S149-N152 VanDerWaalsContact O-N 3.12Å; S149-N152 PolarHBondContact OG-ND2 2.89Å; S149-N152 VanDerWaalsContact OG-ND2 3.12Å; S149-V153 PolarHBondContact O-N 2.89Å
150	V	81.5	Confident	77.5	Confident	57 Å²	57	77.5 Å²	77.5	35%	0.345	40%	0.398	S	S	.	.	H	α-helix	trans	-67.6	-39.3	-163.6	-155	0	0	0	0	110.9	N148 N152 V153 F154	N148-V150 HydrophobicContact CB-CG2 3.19Å; N148-V150 WeakPolarHBondContact O-CG2 3.28Å; N148-V150 PolarHBondContact O-N 2.91Å; V150-N152 VanDerWaalsContact C-N 3.27Å; V150-N152 PolarHBondContact O-N 2.88Å; V150-V153 PolarHBondContact O-N 3.25Å; V150-V153 VanDerWaalsContact O-N 3.13Å; V150-F154 HydrophobicContact CB-CD2 4.44Å; V150-F154 HydrophobicContact CB-CE2 4.35Å; V150-F154 HydrophobicContact CG1-CD2 3.69Å; V150-F154 HydrophobicContact CG1-CE2 3.26Å; V150-F154 HydrophobicContact CG1-CZ 4.12Å; V150-F154 VanDerWaalsContact O-CD2 3.24Å; V150-F154 WeakPolarHBondContact O-CD2 3.45Å; V150-F154 PolarHBondContact O-N 3.14Å
151	F	86	Confident	79	Confident	60 Å²	60	79.5 Å²	79.5	26%	0.263	39%	0.393	S	S	.	.	H	α-helix	trans	-58.9	-38.9	177.3	-70.5	-63	0	0	0	112.3	L125 N129 I145 S149 L155	L125-F151 HydrophobicContact CG-CD1 4.47Å; N129-F151 HydrophobicContact CB-CB 4.33Å; I145-F151 HydrophobicContact CG1-CE2 4.48Å; I145-F151 HydrophobicContact CG2-CD2 3.77Å; I145-F151 HydrophobicContact CG2-CE2 3.45Å; I145-F151 VanDerWaalsContact CG2-CE2 3.45Å; S149-F151 VanDerWaalsContact C-N 3.34Å; S149-F151 PolarHBondContact O-N 2.87Å; F151-L155 WeakPolarHBondContact O-CB 3.4Å; F151-L155 PolarHBondContact O-N 3.12Å
152	N	85.8	Confident	80.8	Confident	15 Å²	15	75 Å²	75	8%	0.08	36%	0.364	C	S	.	.	H	α-helix	trans	-66.9	-40.5	177	-67.9	-45.4	0	0	0	111.9	N129 S149 V150 L155 V156 F209	N129-N152 PolarHBondContact ND2-OD1 3.44Å; N129-N152 PolarHBondContact OD1-OD1 3.33Å; S149-N152 WeakPolarHBondContact O-CB 3.47Å; S149-N152 PolarHBondContact O-N 3.33Å; S149-N152 VanDerWaalsContact O-N 3.12Å; S149-N152 PolarHBondContact OG-ND2 2.89Å; S149-N152 VanDerWaalsContact OG-ND2 3.12Å; V150-N152 VanDerWaalsContact C-N 3.27Å; V150-N152 PolarHBondContact O-N 2.88Å; N152-L155 PolarHBondContact O-N 2.81Å; N152-V156 WeakPolarHBondContact O-CG2 3.39Å; N152-V156 PolarHBondContact O-N 3.48Å; N152-F209 HydrophobicContact CB-CD2 3.46Å; N152-F209 VanDerWaalsContact CB-CD2 3.46Å; N152-F209 HydrophobicContact CB-CE2 3.52Å
153	V	87.8	Confident	82.4	Confident	92 Å²	92	75.8 Å²	75.8	56%	0.558	37%	0.37	S	S	*	.	H	α-helix	trans	-63.3	-48	178.6	178.8	0	0	0	0	110.3	S149 V150 L155 V156 F157	S149-V153 PolarHBondContact O-N 2.89Å; V150-V153 PolarHBondContact O-N 3.25Å; V150-V153 VanDerWaalsContact O-N 3.13Å; V153-L155 VanDerWaalsContact C-N 3.32Å; V153-L155 PolarHBondContact O-N 3.47Å; V153-V156 PolarHBondContact O-N 3.32Å; V153-F157 WeakPolarHBondContact O-CB 3.2Å; V153-F157 PolarHBondContact O-N 2.95Å
154	F	91.1	Very high	83.9	Confident	103 Å²	103	69.9 Å²	69.9	45%	0.452	36%	0.36	S	S	.	.	H	α-helix	trans	-63.2	-38.6	176.3	-72	-59.6	0	0	0	112.4	L125 V150 F157 F158	L125-F154 HydrophobicContact CD2-CB 3.43Å; L125-F154 VanDerWaalsContact CD2-CB 3.43Å; L125-F154 HydrophobicContact CD2-CG 4.37Å; V150-F154 HydrophobicContact CB-CD2 4.44Å; V150-F154 HydrophobicContact CB-CE2 4.35Å; V150-F154 HydrophobicContact CG1-CD2 3.69Å; V150-F154 HydrophobicContact CG1-CE2 3.26Å; V150-F154 HydrophobicContact CG1-CZ 4.12Å; V150-F154 VanDerWaalsContact O-CD2 3.24Å; V150-F154 WeakPolarHBondContact O-CD2 3.45Å; V150-F154 PolarHBondContact O-N 3.14Å; F154-F157 WeakPolarHBondContact O-CB 3.38Å; F154-F157 PolarHBondContact O-N 3.05Å; F154-F158 HydrophobicContact CB-CD2 4.31Å; F154-F158 HydrophobicContact CB-CE2 4.28Å; F154-F158 WeakPolarHBondContact O-CD2 3.45Å; F154-F158 PolarHBondContact O-N 3.29Å
155	L	92.2	Very high	85.6	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-46.6	178.4	-174.2	64.5	0	0	0	111.7	T122 A126 F151 N152 V153 F157 F158 C159 F205	T122-L155 HydrophobicContact CG2-CD1 3.75Å; A126-L155 HydrophobicContact CB-CD1 4.13Å; F151-L155 WeakPolarHBondContact O-CB 3.4Å; F151-L155 PolarHBondContact O-N 3.12Å; N152-L155 PolarHBondContact O-N 2.81Å; V153-L155 VanDerWaalsContact C-N 3.32Å; V153-L155 PolarHBondContact O-N 3.47Å; L155-F157 VanDerWaalsContact C-N 3.35Å; L155-F158 PolarHBondContact O-N 2.86Å; L155-C159 WeakPolarHBondContact O-CB 3.41Å; L155-C159 PolarHBondContact O-N 3.15Å; L155-C159 PolarHBondContact O-SG 3.24Å; L155-F205 HydrophobicContact CD1-CD1 4.31Å; L155-F205 HydrophobicContact CD1-CD2 4.19Å; L155-F205 HydrophobicContact CD1-CE1 4.21Å; L155-F205 HydrophobicContact CD1-CE2 4.11Å; L155-F205 HydrophobicContact CD1-CG 4.29Å; L155-F205 HydrophobicContact CD1-CZ 4.12Å; L155-F205 HydrophobicContact CD2-CB 4.09Å; L155-F205 HydrophobicContact CD2-CD1 3.57Å; L155-F205 HydrophobicContact CD2-CE1 4.06Å; L155-F205 HydrophobicContact CD2-CG 3.82Å; L155-F205 HydrophobicContact CG-CB 4.41Å; L155-F205 HydrophobicContact CG-CD1 4.26Å; L155-F205 HydrophobicContact CG-CD2 4.37Å; L155-F205 HydrophobicContact CG-CG 4.12Å
156	V	90.9	Very high	87	Confident	61 Å²	61	58.8 Å²	58.8	37%	0.37	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-44	175.4	173.9	0	0	0	0	110.8	N152 V153 C159 V160	N152-V156 WeakPolarHBondContact O-CG2 3.39Å; N152-V156 PolarHBondContact O-N 3.48Å; V153-V156 PolarHBondContact O-N 3.32Å; V156-C159 PolarHBondContact O-N 3.46Å; V156-V160 WeakPolarHBondContact O-CG2 3.49Å; V156-V160 PolarHBondContact O-N 3.19Å
157	F	93.4	Very high	88.4	Confident	120 Å²	120	60.3 Å²	60.3	53%	0.526	32%	0.323	S	S	.	.	H	α-helix	trans	-56.9	-51.3	176.5	173.1	-95.4	0	0	0	112	V153 F154 L155 C159 V160 F161	V153-F157 WeakPolarHBondContact O-CB 3.2Å; V153-F157 PolarHBondContact O-N 2.95Å; F154-F157 WeakPolarHBondContact O-CB 3.38Å; F154-F157 PolarHBondContact O-N 3.05Å; L155-F157 VanDerWaalsContact C-N 3.35Å; F157-C159 VanDerWaalsContact C-N 3.34Å; F157-C159 PolarHBondContact O-N 3.47Å; F157-V160 PolarHBondContact O-N 3.48Å; F157-F161 WeakPolarHBondContact O-CB 3.49Å; F157-F161 PolarHBondContact O-N 2.85Å
158	F	95.1	Very high	89.8	Confident	36 Å²	36	63.5 Å²	63.5	16%	0.158	32%	0.323	C	S	.	.	H	α-helix	trans	-68.6	-30.2	179.7	-74.6	-65.2	0	0	0	113.2	V118 I121 T122 L125 F154 L155 F161 T162	V118-F158 HydrophobicContact CG1-CD1 4.03Å; I121-F158 HydrophobicContact CG2-CD2 4.31Å; I121-F158 HydrophobicContact CG2-CE1 4.19Å; I121-F158 HydrophobicContact CG2-CE2 3.81Å; I121-F158 HydrophobicContact CG2-CZ 3.74Å; T122-F158 HydrophobicContact CG2-CB 4.39Å; T122-F158 WeakPolarHBondContact OG1-CB 3.19Å; L125-F158 HydrophobicContact CD2-CD2 3.58Å; L125-F158 HydrophobicContact CD2-CE2 3.62Å; F154-F158 HydrophobicContact CB-CD2 4.31Å; F154-F158 HydrophobicContact CB-CE2 4.28Å; F154-F158 WeakPolarHBondContact O-CD2 3.45Å; F154-F158 PolarHBondContact O-N 3.29Å; L155-F158 PolarHBondContact O-N 2.86Å; F158-F161 PolarHBondContact O-N 3.34Å; F158-T162 WeakPolarHBondContact O-CB 3.41Å; F158-T162 PolarHBondContact O-N 3.28Å; F158-T162 PolarHBondContact O-OG1 3.48Å
159	C	92.1	Very high	91.2	Very high	16 Å²	16	59 Å²	59	11%	0.108	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-50.2	171.8	-70.9	0	0	0	0	111.2	L155 V156 F157 F161 T162 I163 A202	L155-C159 WeakPolarHBondContact O-CB 3.41Å; L155-C159 PolarHBondContact O-N 3.15Å; L155-C159 PolarHBondContact O-SG 3.24Å; V156-C159 PolarHBondContact O-N 3.46Å; F157-C159 VanDerWaalsContact C-N 3.34Å; F157-C159 PolarHBondContact O-N 3.47Å; C159-F161 VanDerWaalsContact C-N 3.31Å; C159-F161 PolarHBondContact O-N 2.94Å; C159-T162 PolarHBondContact O-N 3.08Å; C159-I163 WeakPolarHBondContact O-CG1 3.5Å; C159-I163 PolarHBondContact O-N 3.45Å; C159-I163 VanDerWaalsContact O-N 3.09Å; C159-A202 HydrophobicContact CB-CB 4.28Å
160	V	93.8	Very high	92.1	Very high	97 Å²	97	57 Å²	57	59%	0.588	29%	0.286	S	S	*	.	H	α-helix	trans	-62.2	-41.8	177.4	174.5	0	0	0	0	110.7	V156 F157 I163 G164	V156-V160 WeakPolarHBondContact O-CG2 3.49Å; V156-V160 PolarHBondContact O-N 3.19Å; F157-V160 PolarHBondContact O-N 3.48Å; V160-I163 PolarHBondContact O-N 3.33Å; V160-G164 PolarHBondContact O-N 3.34Å
161	F	95.7	Very high	92.6	Very high	92 Å²	92	57.5 Å²	57.5	40%	0.404	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-43.7	178.3	-170.6	-116	0	0	0	112.5	V118 F157 F158 C159 I163 G164 I165	V118-F161 HydrophobicContact CG1-CD1 3.89Å; V118-F161 HydrophobicContact CG2-CD1 3.89Å; V118-F161 HydrophobicContact CG2-CE1 3.65Å; F157-F161 WeakPolarHBondContact O-CB 3.49Å; F157-F161 PolarHBondContact O-N 2.85Å; F158-F161 PolarHBondContact O-N 3.34Å; C159-F161 VanDerWaalsContact C-N 3.31Å; C159-F161 PolarHBondContact O-N 2.94Å; F161-I163 PolarHBondContact O-N 3.12Å; F161-G164 PolarHBondContact O-N 3.13Å; F161-I165 HydrophobicContact CD1-CD1 3.68Å; F161-I165 HydrophobicContact CE1-CD1 3.24Å; F161-I165 HydrophobicContact CE1-CG1 4.28Å; F161-I165 HydrophobicContact CE2-CD1 4.15Å; F161-I165 HydrophobicContact CE2-CG1 4.42Å; F161-I165 HydrophobicContact CG-CD1 4.32Å; F161-I165 HydrophobicContact CZ-CD1 3.51Å; F161-I165 HydrophobicContact CZ-CG1 4.22Å; F161-I165 WeakPolarHBondContact O-CG1 3.48Å; F161-I165 PolarHBondContact O-N 2.81Å
162	T	94.7	Very high	92.9	Very high	4 Å²	4	56.3 Å²	56.3	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-44.7	176.4	-57	0	0	0	0	111.1	L115 V118 I119 F158 C159 I165 S166 I198	L115-T162 HydrophobicContact CD1-CG2 3.72Å; V118-T162 WeakPolarHBondContact CG1-OG1 3.4Å; I119-T162 HydrophobicContact CD1-CG2 4.42Å; I119-T162 HydrophobicContact CG1-CG2 3.96Å; F158-T162 WeakPolarHBondContact O-CB 3.41Å; F158-T162 PolarHBondContact O-N 3.28Å; F158-T162 PolarHBondContact O-OG1 3.48Å; C159-T162 PolarHBondContact O-N 3.08Å; T162-I165 PolarHBondContact O-N 3.3Å; T162-S166 WeakPolarHBondContact O-CB 3.47Å; T162-S166 PolarHBondContact O-N 3.36Å; T162-S166 PolarHBondContact O-OG 3.24Å; T162-I198 HydrophobicContact CG2-CD1 4.37Å; T162-I198 HydrophobicContact CG2-CG2 3.95Å
163	I	93.6	Very high	93.2	Very high	64 Å²	64	55.6 Å²	55.6	33%	0.328	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-45.3	176	-65.6	166.8	0	0	0	110.3	C159 V160 F161 S166 Y167 A202	C159-I163 WeakPolarHBondContact O-CG1 3.5Å; C159-I163 PolarHBondContact O-N 3.45Å; C159-I163 VanDerWaalsContact O-N 3.09Å; V160-I163 PolarHBondContact O-N 3.33Å; F161-I163 PolarHBondContact O-N 3.12Å; I163-S166 WeakPolarHBondContact CA-OG 3.41Å; I163-S166 PolarHBondContact O-N 3.35Å; I163-S166 PolarHBondContact O-OG 3.22Å; I163-Y167 PolarHBondContact O-N 3.39Å; I163-A202 HydrophobicContact CD1-CB 4.4Å
164	G	95.4	Very high	93.4	Very high	42 Å²	42	52.5 Å²	52.5	43%	0.433	26%	0.256	S	S	.	.	H	α-helix	trans	-59.4	-47.7	177.2	0	0	0	0	0	113.2	V160 F161 S166 Y167 W168	V160-G164 PolarHBondContact O-N 3.34Å; F161-G164 PolarHBondContact O-N 3.13Å; G164-S166 PolarHBondContact O-N 2.92Å; G164-Y167 PolarHBondContact O-N 3.13Å; G164-W168 PolarHBondContact O-N 2.91Å
165	I	95.2	Very high	93.4	Very high	25 Å²	25	51.9 Å²	51.9	13%	0.128	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-44	176.4	-70	174.5	0	0	0	110.6	I111 L115 V118 F161 T162 Y167 W168 V169	I111-I165 HydrophobicContact CG2-CG2 3.65Å; L115-I165 HydrophobicContact CB-CG2 4.08Å; L115-I165 HydrophobicContact CD1-CB 4.16Å; L115-I165 HydrophobicContact CD1-CG2 3.89Å; L115-I165 HydrophobicContact CD2-CG2 4.35Å; L115-I165 HydrophobicContact CG-CG2 4.35Å; V118-I165 HydrophobicContact CG2-CD1 4.44Å; F161-I165 HydrophobicContact CD1-CD1 3.68Å; F161-I165 HydrophobicContact CE1-CD1 3.24Å; F161-I165 HydrophobicContact CE1-CG1 4.28Å; F161-I165 HydrophobicContact CE2-CD1 4.15Å; F161-I165 HydrophobicContact CE2-CG1 4.42Å; F161-I165 HydrophobicContact CG-CD1 4.32Å; F161-I165 HydrophobicContact CZ-CD1 3.51Å; F161-I165 HydrophobicContact CZ-CG1 4.22Å; F161-I165 WeakPolarHBondContact O-CG1 3.48Å; F161-I165 PolarHBondContact O-N 2.81Å; T162-I165 PolarHBondContact O-N 3.3Å; I165-Y167 VanDerWaalsContact C-N 3.31Å; I165-Y167 PolarHBondContact O-N 3.03Å; I165-W168 WeakPolarHBondContact O-CB 3.41Å; I165-W168 PolarHBondContact O-N 3.43Å; I165-W168 VanDerWaalsContact O-N 3.14Å; I165-V169 HydrophobicContact CG2-CG2 4.14Å; I165-V169 WeakPolarHBondContact O-CG2 3.38Å; I165-V169 PolarHBondContact O-N 3.36Å
166	S	93.1	Very high	93.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-38.1	-179.6	63.8	0	0	0	0	112.6	T162 I163 G164 S170 F195	T162-S166 WeakPolarHBondContact O-CB 3.47Å; T162-S166 PolarHBondContact O-N 3.36Å; T162-S166 PolarHBondContact O-OG 3.24Å; I163-S166 WeakPolarHBondContact CA-OG 3.41Å; I163-S166 PolarHBondContact O-N 3.35Å; I163-S166 PolarHBondContact O-OG 3.22Å; G164-S166 PolarHBondContact O-N 2.92Å; S166-S170 PolarHBondContact O-N 3.31Å; S166-S170 VanDerWaalsContact O-N 3.12Å; S166-S170 PolarHBondContact O-OG 2.95Å; S166-S170 VanDerWaalsContact O-OG 3.12Å; S166-F195 VanDerWaalsContact OG-CE2 3.22Å; S166-F195 WeakPolarHBondContact OG-CE2 3.28Å
167	Y	94.3	Very high	93	Very high	134 Å²	134	50.6 Å²	50.6	53%	0.525	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-43.3	172.4	177.5	-100	0	0	0	111.9	I163 G164 I165 V169 S170 Q171 F191	I163-Y167 PolarHBondContact O-N 3.39Å; G164-Y167 PolarHBondContact O-N 3.13Å; I165-Y167 VanDerWaalsContact C-N 3.31Å; I165-Y167 PolarHBondContact O-N 3.03Å; Y167-V169 VanDerWaalsContact C-N 3.34Å; Y167-V169 PolarHBondContact O-N 2.84Å; Y167-S170 WeakPolarHBondContact O-CB 3.13Å; Y167-S170 PolarHBondContact O-N 3.06Å; Y167-Q171 HydrophobicContact CD1-CG 4.43Å; Y167-Q171 HydrophobicContact CE1-CG 3.97Å; Y167-Q171 HydrophobicContact CE2-CG 4.38Å; Y167-Q171 WeakPolarHBondContact O-CG 3.46Å; Y167-Q171 PolarHBondContact O-N 3.48Å; Y167-Q171 VanDerWaalsContact O-N 3.17Å; Y167-Q171 PolarHBondContact OH-NE2 3.41Å; Y167-F191 HydrophobicContact CD2-CZ 4.34Å
168	W	95.1	Very high	92.8	Very high	170 Å²	170	50.1 Å²	50.1	64%	0.644	24%	0.241	S	C	*	.	H	α-helix	trans	-58.3	-46.2	176.6	-174.8	-74.3	0	0	0	111.9	G164 I165 S170 Q171 L172	G164-W168 PolarHBondContact O-N 2.91Å; I165-W168 WeakPolarHBondContact O-CB 3.41Å; I165-W168 PolarHBondContact O-N 3.43Å; I165-W168 VanDerWaalsContact O-N 3.14Å; W168-S170 PolarHBondContact O-N 3.39Å; W168-Q171 PolarHBondContact O-N 3.27Å; W168-L172 PolarHBondContact O-N 2.95Å
169	V	93.7	Very high	92.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-43.9	177.7	171.5	0	0	0	0	111.3	F49 I108 I111 F112 I165 Y167 Q171 L172 I173	F49-V169 HydrophobicContact CE2-CG1 3.86Å; F49-V169 HydrophobicContact CZ-CB 4.3Å; F49-V169 HydrophobicContact CZ-CG1 4.04Å; I108-V169 HydrophobicContact CG2-CG1 4.5Å; I111-V169 HydrophobicContact CB-CG2 4.03Å; I111-V169 HydrophobicContact CG2-CG2 3.24Å; F112-V169 HydrophobicContact CE1-CG1 4.16Å; F112-V169 HydrophobicContact CE2-CG1 3.84Å; F112-V169 HydrophobicContact CZ-CG1 3.65Å; I165-V169 HydrophobicContact CG2-CG2 4.14Å; I165-V169 WeakPolarHBondContact O-CG2 3.38Å; I165-V169 PolarHBondContact O-N 3.36Å; Y167-V169 VanDerWaalsContact C-N 3.34Å; Y167-V169 PolarHBondContact O-N 2.84Å; V169-Q171 VanDerWaalsContact C-N 3.31Å; V169-Q171 PolarHBondContact O-N 3.35Å; V169-L172 PolarHBondContact O-N 2.81Å; V169-I173 HydrophobicContact CG1-CD1 3.65Å; V169-I173 HydrophobicContact CG1-CG1 4.26Å; V169-I173 WeakPolarHBondContact O-CG1 3.3Å; V169-I173 PolarHBondContact O-N 2.99Å
170	S	92.8	Very high	91.8	Very high	5 Å²	5	54 Å²	54	4%	0.035	27%	0.271	C	S	.	.	H	α-helix	trans	-55.2	-46.8	176	-61.1	0	0	0	0	112.2	F49 S166 Y167 W168 L172 I173 E174 F191	F49-S170 WeakPolarHBondContact CD1-OG 3.39Å; F49-S170 WeakPolarHBondContact CE1-OG 3.42Å; S166-S170 PolarHBondContact O-N 3.31Å; S166-S170 VanDerWaalsContact O-N 3.12Å; S166-S170 PolarHBondContact O-OG 2.95Å; S166-S170 VanDerWaalsContact O-OG 3.12Å; Y167-S170 WeakPolarHBondContact O-CB 3.13Å; Y167-S170 PolarHBondContact O-N 3.06Å; W168-S170 PolarHBondContact O-N 3.39Å; S170-L172 VanDerWaalsContact C-N 3.33Å; S170-L172 PolarHBondContact O-N 2.99Å; S170-I173 PolarHBondContact O-N 3.18Å; S170-E174 WeakPolarHBondContact O-CB 3.41Å; S170-E174 PolarHBondContact O-N 2.83Å; S170-F191 WeakPolarHBondContact OG-CE1 3.46Å
171	Q	93.3	Very high	91.2	Very high	66 Å²	66	50.8 Å²	50.8	31%	0.308	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-39.7	179.4	-67.7	-62.3	-32.4	0	0	111.7	Y167 W168 V169 E174 N175	Y167-Q171 HydrophobicContact CD1-CG 4.43Å; Y167-Q171 HydrophobicContact CE1-CG 3.97Å; Y167-Q171 HydrophobicContact CE2-CG 4.38Å; Y167-Q171 WeakPolarHBondContact O-CG 3.46Å; Y167-Q171 PolarHBondContact O-N 3.48Å; Y167-Q171 VanDerWaalsContact O-N 3.17Å; Y167-Q171 PolarHBondContact OH-NE2 3.41Å; W168-Q171 PolarHBondContact O-N 3.27Å; V169-Q171 VanDerWaalsContact C-N 3.31Å; V169-Q171 PolarHBondContact O-N 3.35Å; Q171-E174 PolarHBondContact O-N 3.48Å; Q171-N175 WeakPolarHBondContact O-CB 3.38Å; Q171-N175 VanDerWaalsContact O-CG 3.23Å; Q171-N175 PolarHBondContact O-N 2.93Å; Q171-N175 PolarHBondContact O-ND2 2.91Å; Q171-N175 VanDerWaalsContact O-ND2 3.13Å
172	L	92.4	Very high	90.4	Very high	35 Å²	35	52.7 Å²	52.7	18%	0.183	27%	0.266	C	S	.	.	H	α-helix	trans	-66.3	-41.4	178.3	-167	61.2	0	0	0	111.8	E107 I108 I111 W168 V169 S170 F176	E107-L172 HydrophobicContact CG-CD2 4.04Å; I108-L172 HydrophobicContact CD1-CG 4.21Å; I108-L172 HydrophobicContact CG1-CB 4.32Å; I108-L172 HydrophobicContact CG1-CD2 3.5Å; I108-L172 HydrophobicContact CG1-CG 3.69Å; I111-L172 HydrophobicContact CD1-CD2 3.66Å; W168-L172 PolarHBondContact O-N 2.95Å; V169-L172 PolarHBondContact O-N 2.81Å; S170-L172 VanDerWaalsContact C-N 3.33Å; S170-L172 PolarHBondContact O-N 2.99Å; L172-F176 WeakPolarHBondContact O-CB 3.43Å; L172-F176 PolarHBondContact O-N 3.23Å
173	I	91	Very high	89.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-46.7	175.1	-65.9	166	0	0	0	110.6	F49 I51 L61 I108 F112 V169 S170 F176 Q177 V189	F49-I173 HydrophobicContact CD2-CD1 4.16Å; F49-I173 HydrophobicContact CG-CD1 4.37Å; I51-I173 HydrophobicContact CD1-CG2 3.91Å; I51-I173 HydrophobicContact CG1-CG2 4.35Å; L61-I173 HydrophobicContact CD2-CD1 3.87Å; I108-I173 HydrophobicContact CD1-CG1 3.99Å; I108-I173 HydrophobicContact CG2-CD1 4.5Å; I108-I173 HydrophobicContact CG2-CG1 4.13Å; F112-I173 HydrophobicContact CE2-CD1 4.28Å; F112-I173 HydrophobicContact CZ-CD1 4.2Å; V169-I173 HydrophobicContact CG1-CD1 3.65Å; V169-I173 HydrophobicContact CG1-CG1 4.26Å; V169-I173 WeakPolarHBondContact O-CG1 3.3Å; V169-I173 PolarHBondContact O-N 2.99Å; S170-I173 PolarHBondContact O-N 3.18Å; I173-F176 PolarHBondContact O-N 2.8Å; I173-Q177 HydrophobicContact CG2-CG 4.32Å; I173-Q177 WeakPolarHBondContact O-CG 3.26Å; I173-Q177 PolarHBondContact O-N 2.93Å; I173-V189 HydrophobicContact CG2-CG2 3.97Å
174	E	91.5	Very high	89.2	Confident	27 Å²	27	54.4 Å²	54.4	13%	0.126	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-47.4	-179.7	-173.2	-179.4	162.6	0	0	111.6	S170 Q171 F176 Q177 R178 V189	S170-E174 WeakPolarHBondContact O-CB 3.41Å; S170-E174 PolarHBondContact O-N 2.83Å; Q171-E174 PolarHBondContact O-N 3.48Å; E174-F176 VanDerWaalsContact C-N 3.32Å; E174-F176 PolarHBondContact O-N 3.25Å; E174-Q177 PolarHBondContact O-N 2.86Å; E174-R178 WeakPolarHBondContact O-CB 3.26Å; E174-R178 WeakPolarHBondContact O-CG 3.2Å; E174-R178 PolarHBondContact O-N 3.26Å; E174-R178 IonicContact OE1-CZ 3.38Å; E174-R178 IonicContact OE1-NE 2.86Å; E174-R178 IonicContact OE1-NH1 2.79Å; E174-R178 PolarHBondContact OE1-NH1 2.89Å; E174-R178 VanDerWaalsContact OE1-NH1 3.16Å; E174-R178 IonicContact OE1-NH2 3.83Å; E174-R178 PolarHBondContact OE1-NH2 3.33Å; E174-V189 HydrophobicContact CB-CB 4.42Å; E174-V189 HydrophobicContact CB-CG2 3.86Å; E174-V189 HydrophobicContact CG-CG2 4.39Å
175	N	91.3	Very high	88.6	Confident	90 Å²	90	61.5 Å²	61.5	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-41.1	177.5	-72.9	-29.1	0	0	0	112	Q171 S179	Q171-N175 WeakPolarHBondContact O-CB 3.38Å; Q171-N175 VanDerWaalsContact O-CG 3.23Å; Q171-N175 PolarHBondContact O-N 2.93Å; Q171-N175 PolarHBondContact O-ND2 2.91Å; Q171-N175 VanDerWaalsContact O-ND2 3.13Å; N175-S179 PolarHBondContact O-N 3.46Å; N175-S179 VanDerWaalsContact O-N 3.1Å
176	F	88.2	Confident	88	Confident	39 Å²	39	66.5 Å²	66.5	17%	0.171	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-47.2	177.1	179.3	-107.7	0	0	0	112	T105 I108 L172 I173 E174 R178 S179 T180	T105-F176 HydrophobicContact CG2-CD1 4.2Å; T105-F176 HydrophobicContact CG2-CD2 3.35Å; T105-F176 HydrophobicContact CG2-CE1 4.12Å; T105-F176 HydrophobicContact CG2-CE2 3.25Å; T105-F176 HydrophobicContact CG2-CG 3.84Å; T105-F176 HydrophobicContact CG2-CZ 3.67Å; I108-F176 HydrophobicContact CD1-CB 4.46Å; L172-F176 WeakPolarHBondContact O-CB 3.43Å; L172-F176 PolarHBondContact O-N 3.23Å; I173-F176 PolarHBondContact O-N 2.8Å; E174-F176 VanDerWaalsContact C-N 3.32Å; E174-F176 PolarHBondContact O-N 3.25Å; F176-R178 VanDerWaalsContact C-N 3.35Å; F176-R178 PolarHBondContact O-N 2.66Å; F176-S179 PolarHBondContact O-N 3Å; F176-S179 PolarHBondContact O-OG 3.12Å; F176-T180 PolarHBondContact O-N 3.19Å; F176-T180 VanDerWaalsContact O-N 3.17Å; F176-T180 PolarHBondContact O-OG1 2.88Å
177	Q	88.2	Confident	87.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-36.4	179.9	-70.7	-59.4	-37.7	0	0	112.2	I51 D102 C103 I173 E174 T180 T181 V187	I51-Q177 HydrophobicContact CG2-CG 4.39Å; D102-Q177 PolarHBondContact O-NE2 3.49Å; C103-Q177 PolarHBondContact O-NE2 3.27Å; I173-Q177 HydrophobicContact CG2-CG 4.32Å; I173-Q177 WeakPolarHBondContact O-CG 3.26Å; I173-Q177 PolarHBondContact O-N 2.93Å; E174-Q177 PolarHBondContact O-N 2.86Å; Q177-T180 PolarHBondContact O-N 2.95Å; Q177-T181 WeakPolarHBondContact O-CB 3.14Å; Q177-T181 PolarHBondContact O-N 3.34Å; Q177-T181 PolarHBondContact O-OG1 3.42Å; Q177-V187 HydrophobicContact CB-CG1 3.49Å; Q177-V187 VanDerWaalsContact CB-CG1 3.49Å
178	R	89	Confident	87.5	Confident	111 Å²	111	65.2 Å²	65.2	42%	0.419	33%	0.332	S	S	.	.	H	α-helix	trans	-62.8	-39.5	172.1	-78.8	-175.9	173.8	153.4	9.4	112.8	E174 F176 T180 P184 V187	E174-R178 WeakPolarHBondContact O-CB 3.26Å; E174-R178 WeakPolarHBondContact O-CG 3.2Å; E174-R178 PolarHBondContact O-N 3.26Å; E174-R178 IonicContact OE1-CZ 3.38Å; E174-R178 IonicContact OE1-NE 2.86Å; E174-R178 IonicContact OE1-NH1 2.79Å; E174-R178 PolarHBondContact OE1-NH1 2.89Å; E174-R178 VanDerWaalsContact OE1-NH1 3.16Å; E174-R178 IonicContact OE1-NH2 3.83Å; E174-R178 PolarHBondContact OE1-NH2 3.33Å; F176-R178 VanDerWaalsContact C-N 3.35Å; F176-R178 PolarHBondContact O-N 2.66Å; R178-T180 VanDerWaalsContact C-N 3.3Å; R178-T180 PolarHBondContact O-N 3.34Å; R178-P184 HydrophobicContact CB-CB 4.33Å; R178-P184 HydrophobicContact CG-CB 4.31Å; R178-V187 HydrophobicContact CG-CB 3.94Å; R178-V187 HydrophobicContact CG-CG1 4.1Å; R178-V187 HydrophobicContact CG-CG2 4.4Å
179	S	85.1	Confident	87.2	Confident	92 Å²	92	57.8 Å²	57.8	64%	0.643	31%	0.305	S	S	*	.	H	α-helix	trans	-71.6	-25.3	-179.6	72.9	0	0	0	0	113.9	N175 F176	N175-S179 PolarHBondContact O-N 3.46Å; N175-S179 VanDerWaalsContact O-N 3.1Å; F176-S179 PolarHBondContact O-N 3Å; F176-S179 PolarHBondContact O-OG 3.12Å
180	T	81.3	Confident	87.2	Confident	42 Å²	42	59.5 Å²	59.5	26%	0.258	32%	0.318	S	S	.	.	H	α-helix	trans	-92.7	-15.9	-174.9	-51.4	0	0	0	0	112.6	H55 D102 F176 Q177 R178	H55-T180 HydrophobicContact CB-CG2 3.99Å; D102-T180 HydrophobicContact CB-CG2 4.25Å; F176-T180 PolarHBondContact O-N 3.19Å; F176-T180 VanDerWaalsContact O-N 3.17Å; F176-T180 PolarHBondContact O-OG1 2.88Å; Q177-T180 PolarHBondContact O-N 2.95Å; R178-T180 VanDerWaalsContact C-N 3.3Å; R178-T180 PolarHBondContact O-N 3.34Å
181	T	80.9	Confident	87.2	Confident	28 Å²	28	62.1 Å²	62.1	17%	0.172	33%	0.329	C	S	.	.			trans	-110.2	136.1	-169.2	-51.7	0	0	0	0	111.5	G54 H55 Q177 A183	G54-T181 WeakPolarHBondContact CA-OG1 3.42Å; H55-T181 PolarHBondContact N-OG1 2.9Å; Q177-T181 WeakPolarHBondContact O-CB 3.14Å; Q177-T181 PolarHBondContact O-N 3.34Å; Q177-T181 PolarHBondContact O-OG1 3.42Å; T181-A183 HydrophobicContact CG2-CB 4.38Å; T181-A183 PolarHBondContact O-N 2.91Å
182	D	79	Confident	87.2	Confident	133 Å²	133	59.5 Å²	59.5	71%	0.711	32%	0.319	S	S	*	.	S	Bend	trans	-67.7	-18.2	177.2	-63	-43.3	0	0	0	112.7	R88 P184	R88-D182 IonicContact CZ-OD2 2.87Å; R88-D182 IonicContact NH1-OD2 3.77Å; R88-D182 VanDerWaalsContact NH2-CG 3.26Å; R88-D182 IonicContact NH2-OD1 3.17Å; R88-D182 PolarHBondContact NH2-OD1 3.45Å; R88-D182 IonicContact NH2-OD2 3.77Å; R88-D182 PolarHBondContact NH2-OD2 2.63Å; D182-P184 VanDerWaalsContact C-CD 3.45Å; D182-P184 VanDerWaalsContact O-CD 3.25Å; D182-P184 WeakPolarHBondContact O-CD 3.41Å
183	A	82.6	Confident	87.2	Confident	45 Å²	45	63.6 Å²	63.6	37%	0.372	34%	0.337	S	S	.	.			trans	-114.9	73.1	176.3	0	0	0	0	0	111.7	T181 E185 L186	T181-A183 HydrophobicContact CG2-CB 4.38Å; T181-A183 PolarHBondContact O-N 2.91Å; A183-E185 PolarHBondContact O-N 3.21Å; A183-L186 HydrophobicContact CB-CD1 4.14Å; A183-L186 PolarHBondContact O-N 3.15Å
184	P	80.9	Confident	87.3	Confident	59 Å²	59	63.6 Å²	63.6	38%	0.383	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-64.9	-21.8	-175.3	26.6	-35.6	0	0	0	113.8	R178 D182 L186 V187	R178-P184 HydrophobicContact CB-CB 4.33Å; R178-P184 HydrophobicContact CG-CB 4.31Å; D182-P184 VanDerWaalsContact C-CD 3.45Å; D182-P184 VanDerWaalsContact O-CD 3.25Å; D182-P184 WeakPolarHBondContact O-CD 3.41Å; P184-L186 VanDerWaalsContact C-N 3.33Å; P184-L186 PolarHBondContact O-N 2.89Å; P184-V187 PolarHBondContact O-N 3.12Å
185	E	82.2	Confident	87.4	Confident	190 Å²	190	63.4 Å²	63.4	89%	0.888	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-71.9	-23.6	-178.8	-61.8	-176.2	170.1	0	0	113.6	A183 V187	A183-E185 PolarHBondContact O-N 3.21Å; E185-V187 VanDerWaalsContact C-N 3.33Å
186	L	83.3	Confident	87.6	Confident	130 Å²	130	65.8 Å²	65.8	68%	0.681	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-88.2	-4.6	179.7	-64.9	172.5	0	0	0	113	A183 P184 H188	A183-L186 HydrophobicContact CB-CD1 4.14Å; A183-L186 PolarHBondContact O-N 3.15Å; P184-L186 VanDerWaalsContact C-N 3.33Å; P184-L186 PolarHBondContact O-N 2.89Å; L186-H188 PolarHBondContact O-N 2.69Å
187	V	86.9	Confident	87.9	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.018	34%	0.344	C	S	.	.			trans	-82.9	112.7	-178.5	-178.8	0	0	0	0	109.2	N52 Q177 R178 P184 E185	N52-V187 WeakPolarHBondContact O-CA 3.4Å; Q177-V187 HydrophobicContact CB-CG1 3.49Å; Q177-V187 VanDerWaalsContact CB-CG1 3.49Å; R178-V187 HydrophobicContact CG-CB 3.94Å; R178-V187 HydrophobicContact CG-CG1 4.1Å; R178-V187 HydrophobicContact CG-CG2 4.4Å; P184-V187 PolarHBondContact O-N 3.12Å; E185-V187 VanDerWaalsContact C-N 3.33Å
188	H	88.8	Confident	88.1	Confident	105 Å²	105	66.6 Å²	66.6	49%	0.486	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	126.1	174.2	-174.2	-81.8	0	0	0	110.3	N52 L186 S190	N52-H188 PolarHBondContact N-O 3.45Å; N52-H188 PolarHBondContact O-N 3.33Å; L186-H188 PolarHBondContact O-N 2.69Å; H188-S190 PolarHBondContact CE1-OG 2.99Å; H188-S190 PolarHBondContact ND1-OG 2.92Å
189	V	90.2	Very high	88.4	Confident	13 Å²	13	63.6 Å²	63.6	8%	0.079	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	116	175.1	-178.1	0	0	0	0	108.4	F49 Y50 I173 E174	F49-V189 HydrophobicContact CB-CG1 4.33Å; Y50-V189 CarbonylContact O-C 3.59Å; Y50-V189 WeakPolarHBondContact O-CA 3.45Å; I173-V189 HydrophobicContact CG2-CG2 3.97Å; E174-V189 HydrophobicContact CB-CB 4.42Å; E174-V189 HydrophobicContact CB-CG2 3.86Å; E174-V189 HydrophobicContact CG-CG2 4.39Å
190	S	92.2	Very high	88.9	Confident	37 Å²	37	60.9 Å²	60.9	26%	0.259	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	153.2	174.4	-60.7	0	0	0	0	110.5	Y50 H188	Y50-S190 PolarHBondContact N-O 3.47Å; Y50-S190 PolarHBondContact O-N 3.29Å; H188-S190 PolarHBondContact CE1-OG 2.99Å; H188-S190 PolarHBondContact ND1-OG 2.92Å
191	F	93.6	Very high	89.5	Confident	60 Å²	60	58.9 Å²	58.9	26%	0.263	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.7	170.1	-63.4	-76.4	0	0	0	110.4	F49 Y167 S170 F195 Y196	F49-F191 HydrophobicContact CD1-CD1 4.17Å; F49-F191 HydrophobicContact CD1-CE1 4.47Å; F49-F191 AromaticContact CE1-CD1 3.89Å; F49-F191 HydrophobicContact CE1-CD1 3.89Å; F49-F191 AromaticContact CE1-CE1 3.92Å; F49-F191 HydrophobicContact CE1-CE1 3.92Å; Y167-F191 HydrophobicContact CD2-CZ 4.34Å; S170-F191 WeakPolarHBondContact OG-CE1 3.46Å; F191-F195 HydrophobicContact CB-CB 4.11Å; F191-F195 HydrophobicContact CB-CD1 3.52Å; F191-F195 HydrophobicContact CB-CE1 4.16Å; F191-F195 HydrophobicContact CB-CG 3.95Å; F191-F195 HydrophobicContact CD1-CB 4.07Å; F191-F195 AromaticContact CD1-CD1 3.66Å; F191-F195 HydrophobicContact CD1-CD1 3.66Å; F191-F195 AromaticContact CD1-CD2 3.71Å; F191-F195 HydrophobicContact CD1-CD2 3.71Å; F191-F195 AromaticContact CD1-CE1 3.95Å; F191-F195 HydrophobicContact CD1-CE1 3.95Å; F191-F195 HydrophobicContact CD1-CE2 4.01Å; F191-F195 AromaticContact CD1-CG 3.51Å; F191-F195 HydrophobicContact CD1-CG 3.51Å; F191-F195 HydrophobicContact CD1-CZ 4.11Å; F191-F195 HydrophobicContact CD2-CD1 4.42Å; F191-F195 HydrophobicContact CD2-CE1 4.24Å; F191-F195 HydrophobicContact CE1-CD1 4.48Å; F191-F195 HydrophobicContact CE1-CD2 4.03Å; F191-F195 HydrophobicContact CE1-CE1 4.39Å; F191-F195 AromaticContact CE1-CE2 3.96Å; F191-F195 HydrophobicContact CE1-CE2 3.96Å; F191-F195 HydrophobicContact CE1-CG 4.29Å; F191-F195 HydrophobicContact CE1-CZ 4.14Å; F191-F195 AromaticContact CG-CD1 3.62Å; F191-F195 HydrophobicContact CG-CD1 3.62Å; F191-F195 HydrophobicContact CG-CD2 4.5Å; F191-F195 AromaticContact CG-CE1 3.85Å; F191-F195 HydrophobicContact CG-CE1 3.85Å; F191-F195 AromaticContact CG-CG 3.95Å; F191-F195 HydrophobicContact CG-CG 3.95Å; F191-F195 HydrophobicContact CG-CZ 4.4Å; F191-F195 HydrophobicContact CZ-CZ 4.48Å; F191-Y196 HydrophobicContact CB-CE2 4.32Å
192	G	92.7	Very high	90.2	Very high	11 Å²	11	57.9 Å²	57.9	11%	0.113	31%	0.305	C	S	.	.			trans	-96.7	-175.3	176.1	0	0	0	0	0	113	D47 W48 G194 F195 Y196	D47-G192 CarbonylContact O-C 3.1Å; D47-G192 VanDerWaalsContact O-CA 3.23Å; D47-G192 WeakPolarHBondContact O-CA 3.38Å; W48-G192 PolarHBondContact O-N 3.43Å; G192-G194 VanDerWaalsContact C-N 3.31Å; G192-G194 PolarHBondContact O-N 2.84Å; G192-F195 PolarHBondContact O-N 3.05Å; G192-Y196 WeakPolarHBondContact O-CD2 3.34Å; G192-Y196 PolarHBondContact O-N 2.97Å
193	E	92.8	Very high	90.9	Very high	120 Å²	120	54.9 Å²	54.9	56%	0.561	29%	0.293	S	S	*	.	H	α-helix	trans	-58.3	-39.5	-176.8	-59.2	-174.5	179.7	0	0	113.1	E45 D47 F195 Y196 L197	E45-E193 HydrophobicContact CG-CB 4.35Å; D47-E193 PolarHBondContact O-N 3.13Å; E193-F195 VanDerWaalsContact C-N 3.31Å; E193-F195 PolarHBondContact O-N 3.01Å; E193-Y196 PolarHBondContact O-N 3.4Å; E193-Y196 VanDerWaalsContact O-N 3.14Å; E193-L197 WeakPolarHBondContact O-CG 3.29Å; E193-L197 PolarHBondContact O-N 3.39Å
194	G	92.3	Very high	91.5	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-40.1	178.9	0	0	0	0	0	112.7	S42 D47 G192 L197 I198	S42-G194 WeakPolarHBondContact CB-O 3.33Å; D47-G194 PolarHBondContact O-N 3.29Å; G192-G194 VanDerWaalsContact C-N 3.31Å; G192-G194 PolarHBondContact O-N 2.84Å; G194-L197 PolarHBondContact O-N 3.48Å; G194-I198 PolarHBondContact O-N 3.02Å
195	F	93.6	Very high	92.1	Very high	24 Å²	24	53.6 Å²	53.6	11%	0.105	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-45.7	175.1	172.2	-97.3	0	0	0	111.5	S166 F191 G192 E193 L197 I198 V199	S166-F195 VanDerWaalsContact OG-CE2 3.22Å; S166-F195 WeakPolarHBondContact OG-CE2 3.28Å; F191-F195 HydrophobicContact CB-CB 4.11Å; F191-F195 HydrophobicContact CB-CD1 3.52Å; F191-F195 HydrophobicContact CB-CE1 4.16Å; F191-F195 HydrophobicContact CB-CG 3.95Å; F191-F195 HydrophobicContact CD1-CB 4.07Å; F191-F195 AromaticContact CD1-CD1 3.66Å; F191-F195 HydrophobicContact CD1-CD1 3.66Å; F191-F195 AromaticContact CD1-CD2 3.71Å; F191-F195 HydrophobicContact CD1-CD2 3.71Å; F191-F195 AromaticContact CD1-CE1 3.95Å; F191-F195 HydrophobicContact CD1-CE1 3.95Å; F191-F195 HydrophobicContact CD1-CE2 4.01Å; F191-F195 AromaticContact CD1-CG 3.51Å; F191-F195 HydrophobicContact CD1-CG 3.51Å; F191-F195 HydrophobicContact CD1-CZ 4.11Å; F191-F195 HydrophobicContact CD2-CD1 4.42Å; F191-F195 HydrophobicContact CD2-CE1 4.24Å; F191-F195 HydrophobicContact CE1-CD1 4.48Å; F191-F195 HydrophobicContact CE1-CD2 4.03Å; F191-F195 HydrophobicContact CE1-CE1 4.39Å; F191-F195 AromaticContact CE1-CE2 3.96Å; F191-F195 HydrophobicContact CE1-CE2 3.96Å; F191-F195 HydrophobicContact CE1-CG 4.29Å; F191-F195 HydrophobicContact CE1-CZ 4.14Å; F191-F195 AromaticContact CG-CD1 3.62Å; F191-F195 HydrophobicContact CG-CD1 3.62Å; F191-F195 HydrophobicContact CG-CD2 4.5Å; F191-F195 AromaticContact CG-CE1 3.85Å; F191-F195 HydrophobicContact CG-CE1 3.85Å; F191-F195 AromaticContact CG-CG 3.95Å; F191-F195 HydrophobicContact CG-CG 3.95Å; F191-F195 HydrophobicContact CG-CZ 4.4Å; F191-F195 HydrophobicContact CZ-CZ 4.48Å; G192-F195 PolarHBondContact O-N 3.05Å; E193-F195 VanDerWaalsContact C-N 3.31Å; E193-F195 PolarHBondContact O-N 3.01Å; F195-L197 VanDerWaalsContact C-N 3.26Å; F195-L197 PolarHBondContact O-N 3.1Å; F195-I198 WeakPolarHBondContact O-CB 3.4Å; F195-I198 PolarHBondContact O-N 3.47Å; F195-I198 VanDerWaalsContact O-N 3.11Å; F195-V199 HydrophobicContact CD1-CG2 4.2Å; F195-V199 HydrophobicContact CE1-CG2 3.73Å; F195-V199 HydrophobicContact CE2-CG2 4.28Å; F195-V199 HydrophobicContact CZ-CG2 3.77Å; F195-V199 PolarHBondContact O-N 2.97Å; F195-V199 VanDerWaalsContact O-N 3.11Å
196	Y	95.1	Very high	92.6	Very high	139 Å²	139	49 Å²	49	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-63.4	-31.5	178.9	-67.3	-64.3	0	0	0	112.8	F191 G192 E193 V199 A200	F191-Y196 HydrophobicContact CB-CE2 4.32Å; G192-Y196 WeakPolarHBondContact O-CD2 3.34Å; G192-Y196 PolarHBondContact O-N 2.97Å; E193-Y196 PolarHBondContact O-N 3.4Å; E193-Y196 VanDerWaalsContact O-N 3.14Å; Y196-V199 PolarHBondContact O-N 3.39Å; Y196-A200 WeakPolarHBondContact O-CB 3.3Å; Y196-A200 PolarHBondContact O-N 3Å
197	L	94.7	Very high	93	Very high	52 Å²	52	45.4 Å²	45.4	27%	0.272	24%	0.239	S	C	.	.	H	α-helix	trans	-64.8	-37.4	173.3	-74.2	171.5	0	0	0	112.7	A41 E193 G194 F195 A200 A201	A41-L197 HydrophobicContact CB-CD1 4.13Å; E193-L197 WeakPolarHBondContact O-CG 3.29Å; E193-L197 PolarHBondContact O-N 3.39Å; G194-L197 PolarHBondContact O-N 3.48Å; F195-L197 VanDerWaalsContact C-N 3.26Å; F195-L197 PolarHBondContact O-N 3.1Å; L197-A200 PolarHBondContact O-N 3.04Å; L197-A201 WeakPolarHBondContact O-CB 3.34Å; L197-A201 PolarHBondContact O-N 3.35Å
198	I	93.8	Very high	93.1	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-44.4	172.3	-56	159.6	0	0	0	110.5	L39 W48 T162 G194 F195 A200 A201 A202	L39-I198 HydrophobicContact CD2-CG2 4.41Å; W48-I198 HydrophobicContact CE3-CD1 3.95Å; W48-I198 HydrophobicContact CH2-CD1 2.94Å; W48-I198 HydrophobicContact CH2-CG1 3.6Å; W48-I198 HydrophobicContact CZ2-CD1 3.78Å; W48-I198 HydrophobicContact CZ2-CG1 4.06Å; W48-I198 HydrophobicContact CZ3-CD1 3.05Å; W48-I198 HydrophobicContact CZ3-CG1 4.19Å; T162-I198 HydrophobicContact CG2-CD1 4.37Å; T162-I198 HydrophobicContact CG2-CG2 3.95Å; G194-I198 PolarHBondContact O-N 3.02Å; F195-I198 WeakPolarHBondContact O-CB 3.4Å; F195-I198 PolarHBondContact O-N 3.47Å; F195-I198 VanDerWaalsContact O-N 3.11Å; I198-A200 VanDerWaalsContact C-N 3.31Å; I198-A200 PolarHBondContact O-N 2.94Å; I198-A201 CarbonylContact O-C 3.59Å; I198-A201 WeakPolarHBondContact O-CB 3.36Å; I198-A201 PolarHBondContact O-N 3.07Å; I198-A201 VanDerWaalsContact O-N 3.15Å; I198-A202 WeakPolarHBondContact O-CB 3.4Å; I198-A202 PolarHBondContact O-N 3.22Å
199	V	94.8	Very high	93.1	Very high	48 Å²	48	43 Å²	43	29%	0.291	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-43.8	180	176.4	0	0	0	0	109.8	F195 Y196 A201 A202 C203	F195-V199 HydrophobicContact CD1-CG2 4.2Å; F195-V199 HydrophobicContact CE1-CG2 3.73Å; F195-V199 HydrophobicContact CE2-CG2 4.28Å; F195-V199 HydrophobicContact CZ-CG2 3.77Å; F195-V199 PolarHBondContact O-N 2.97Å; F195-V199 VanDerWaalsContact O-N 3.11Å; Y196-V199 PolarHBondContact O-N 3.39Å; V199-A201 VanDerWaalsContact C-N 3.34Å; V199-A201 PolarHBondContact O-N 2.94Å; V199-A202 WeakPolarHBondContact O-CB 3.23Å; V199-A202 PolarHBondContact O-N 2.99Å; V199-C203 PolarHBondContact O-N 3.47Å; V199-C203 PolarHBondContact O-SG 2.77Å; V199-C203 VanDerWaalsContact O-SG 3.34Å
200	A	95.2	Very high	93.1	Very high	34 Å²	34	46 Å²	46	28%	0.281	25%	0.246	S	C	.	.	H	α-helix	trans	-59.6	-43.8	173.1	0	0	0	0	0	111.7	Y196 L197 I198 A202 C203 F204	Y196-A200 WeakPolarHBondContact O-CB 3.3Å; Y196-A200 PolarHBondContact O-N 3Å; L197-A200 PolarHBondContact O-N 3.04Å; I198-A200 VanDerWaalsContact C-N 3.31Å; I198-A200 PolarHBondContact O-N 2.94Å; A200-A202 PolarHBondContact O-N 2.79Å; A200-C203 WeakPolarHBondContact O-CB 3.43Å; A200-C203 PolarHBondContact O-N 2.84Å; A200-F204 HydrophobicContact CB-CE2 4.4Å; A200-F204 WeakPolarHBondContact O-CD2 3.49Å; A200-F204 WeakPolarHBondContact O-CG 3.47Å; A200-F204 PolarHBondContact O-N 3.05Å
201	A	95.1	Very high	92.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-42.8	175.2	0	0	0	0	0	112.5	A38 L39 L197 I198 V199 C203 F204 F205	A38-A201 HydrophobicContact CB-CB 3.81Å; L39-A201 HydrophobicContact CD2-CB 3.79Å; L39-A201 HydrophobicContact CG-CB 3.72Å; L197-A201 WeakPolarHBondContact O-CB 3.34Å; L197-A201 PolarHBondContact O-N 3.35Å; I198-A201 CarbonylContact O-C 3.59Å; I198-A201 WeakPolarHBondContact O-CB 3.36Å; I198-A201 PolarHBondContact O-N 3.07Å; I198-A201 VanDerWaalsContact O-N 3.15Å; V199-A201 VanDerWaalsContact C-N 3.34Å; V199-A201 PolarHBondContact O-N 2.94Å; A201-C203 VanDerWaalsContact C-N 3.35Å; A201-C203 PolarHBondContact O-N 3.22Å; A201-F204 PolarHBondContact O-N 3.16Å; A201-F205 HydrophobicContact CB-CE2 4.42Å; A201-F205 WeakPolarHBondContact O-CD2 3.29Å; A201-F205 WeakPolarHBondContact O-CG 3.35Å; A201-F205 PolarHBondContact O-N 3.4Å
202	A	94	Very high	92.4	Very high	8 Å²	8	43.7 Å²	43.7	7%	0.066	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-43.4	175.4	0	0	0	0	0	111.3	C159 I163 I198 V199 A200 F204 F205 I206	C159-A202 HydrophobicContact CB-CB 4.28Å; I163-A202 HydrophobicContact CD1-CB 4.4Å; I198-A202 WeakPolarHBondContact O-CB 3.4Å; I198-A202 PolarHBondContact O-N 3.22Å; V199-A202 WeakPolarHBondContact O-CB 3.23Å; V199-A202 PolarHBondContact O-N 2.99Å; A200-A202 PolarHBondContact O-N 2.79Å; A202-F204 PolarHBondContact O-N 2.91Å; A202-F205 PolarHBondContact O-N 3.38Å; A202-I206 VanDerWaalsContact O-CG1 3.3Å; A202-I206 WeakPolarHBondContact O-CG1 3.24Å; A202-I206 PolarHBondContact O-N 3.4Å
203	C	94.8	Very high	92	Very high	69 Å²	69	47.2 Å²	47.2	47%	0.466	25%	0.25	S	C	.	.	H	α-helix	trans	-58.7	-45.2	172.8	-69.9	0	0	0	0	111.7	V199 A200 A201 F205 I206 C207	V199-C203 PolarHBondContact O-N 3.47Å; V199-C203 PolarHBondContact O-SG 2.77Å; V199-C203 VanDerWaalsContact O-SG 3.34Å; A200-C203 WeakPolarHBondContact O-CB 3.43Å; A200-C203 PolarHBondContact O-N 2.84Å; A201-C203 VanDerWaalsContact C-N 3.35Å; A201-C203 PolarHBondContact O-N 3.22Å; C203-F205 PolarHBondContact O-N 3.07Å; C203-I206 PolarHBondContact O-N 3.43Å; C203-C207 PolarHBondContact O-N 3.26Å; C203-C207 PolarHBondContact O-SG 2.8Å; C203-C207 VanDerWaalsContact O-SG 3.34Å
204	F	94.7	Very high	91.7	Very high	68 Å²	68	44.7 Å²	44.7	30%	0.298	24%	0.243	S	C	.	.	H	α-helix	trans	-64.4	-38.2	176.7	-68.2	-46.6	0	0	0	112.8	F31 L34 A35 A200 A201 A202 C207 A208	F31-F204 AromaticContact CD1-CD1 3.94Å; F31-F204 HydrophobicContact CD1-CD1 3.94Å; F31-F204 HydrophobicContact CE1-CD1 4.41Å; L34-F204 HydrophobicContact CB-CD2 4.21Å; L34-F204 HydrophobicContact CB-CE2 4.42Å; L34-F204 HydrophobicContact CB-CG 4.32Å; A35-F204 HydrophobicContact CB-CB 3.62Å; A200-F204 HydrophobicContact CB-CE2 4.4Å; A200-F204 WeakPolarHBondContact O-CD2 3.49Å; A200-F204 WeakPolarHBondContact O-CG 3.47Å; A200-F204 PolarHBondContact O-N 3.05Å; A201-F204 PolarHBondContact O-N 3.16Å; A202-F204 PolarHBondContact O-N 2.91Å; F204-C207 PolarHBondContact O-N 3.41Å; F204-A208 WeakPolarHBondContact O-CB 3.35Å; F204-A208 PolarHBondContact O-N 3.11Å
205	F	92.9	Very high	91.2	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.044	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-40.6	173.4	-71.6	-46.8	0	0	0	112.6	A35 L39 T122 A126 L155 A201 A202 C203 A208 F209	A35-F205 HydrophobicContact CB-CD1 3.35Å; A35-F205 HydrophobicContact CB-CD2 4.04Å; A35-F205 HydrophobicContact CB-CE1 3.21Å; A35-F205 HydrophobicContact CB-CE2 3.89Å; A35-F205 HydrophobicContact CB-CG 3.79Å; A35-F205 HydrophobicContact CB-CZ 3.49Å; A35-F205 VanDerWaalsContact CB-CZ 3.49Å; L39-F205 HydrophobicContact CD1-CE2 3.56Å; L39-F205 HydrophobicContact CD1-CZ 3.73Å; L39-F205 HydrophobicContact CG-CE2 4.03Å; L39-F205 HydrophobicContact CG-CZ 4.36Å; T122-F205 HydrophobicContact CG2-CE2 4.47Å; A126-F205 HydrophobicContact CB-CE1 3.49Å; A126-F205 VanDerWaalsContact CB-CE1 3.49Å; A126-F205 HydrophobicContact CB-CZ 3.51Å; L155-F205 HydrophobicContact CD1-CD1 4.31Å; L155-F205 HydrophobicContact CD1-CD2 4.19Å; L155-F205 HydrophobicContact CD1-CE1 4.21Å; L155-F205 HydrophobicContact CD1-CE2 4.11Å; L155-F205 HydrophobicContact CD1-CG 4.29Å; L155-F205 HydrophobicContact CD1-CZ 4.12Å; L155-F205 HydrophobicContact CD2-CB 4.09Å; L155-F205 HydrophobicContact CD2-CD1 3.57Å; L155-F205 HydrophobicContact CD2-CE1 4.06Å; L155-F205 HydrophobicContact CD2-CG 3.82Å; L155-F205 HydrophobicContact CG-CB 4.41Å; L155-F205 HydrophobicContact CG-CD1 4.26Å; L155-F205 HydrophobicContact CG-CD2 4.37Å; L155-F205 HydrophobicContact CG-CG 4.12Å; A201-F205 HydrophobicContact CB-CE2 4.42Å; A201-F205 WeakPolarHBondContact O-CD2 3.29Å; A201-F205 WeakPolarHBondContact O-CG 3.35Å; A201-F205 PolarHBondContact O-N 3.4Å; A202-F205 PolarHBondContact O-N 3.38Å; C203-F205 PolarHBondContact O-N 3.07Å; F205-A208 PolarHBondContact O-N 2.99Å; F205-F209 WeakPolarHBondContact O-CB 3.45Å; F205-F209 PolarHBondContact O-N 3.26Å
206	I	92.7	Very high	90.6	Very high	94 Å²	94	50.1 Å²	50.1	48%	0.482	26%	0.264	S	S	.	.	H	α-helix	trans	-62.9	-45.3	174.9	-67	165.1	0	0	0	110.1	A202 C203 A208 F209 V210	A202-I206 VanDerWaalsContact O-CG1 3.3Å; A202-I206 WeakPolarHBondContact O-CG1 3.24Å; A202-I206 PolarHBondContact O-N 3.4Å; C203-I206 PolarHBondContact O-N 3.43Å; I206-A208 VanDerWaalsContact C-N 3.34Å; I206-A208 PolarHBondContact O-N 3.25Å; I206-F209 WeakPolarHBondContact O-CB 3.48Å; I206-F209 PolarHBondContact O-N 3.49Å; I206-V210 HydrophobicContact CG2-CG2 4.32Å; I206-V210 WeakPolarHBondContact O-CG2 3.31Å; I206-V210 PolarHBondContact O-N 2.87Å
207	C	92.2	Very high	90.2	Very high	53 Å²	53	46 Å²	46	36%	0.358	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-42.3	175.5	-71.1	0	0	0	0	112.5	F31 C203 F204 F209 S211	F31-C207 HydrophobicContact CD1-CB 4.18Å; F31-C207 HydrophobicContact CD2-CB 4.14Å; F31-C207 HydrophobicContact CE1-CB 4.39Å; F31-C207 HydrophobicContact CE2-CB 4.34Å; F31-C207 HydrophobicContact CG-CB 4.07Å; F31-C207 HydrophobicContact CZ-CB 4.47Å; C203-C207 PolarHBondContact O-N 3.26Å; C203-C207 PolarHBondContact O-SG 2.8Å; C203-C207 VanDerWaalsContact O-SG 3.34Å; F204-C207 PolarHBondContact O-N 3.41Å; C207-F209 VanDerWaalsContact C-N 3.35Å; C207-S211 WeakPolarHBondContact O-CB 3.41Å; C207-S211 PolarHBondContact O-N 3.35Å; C207-S211 PolarHBondContact O-OG 3.41Å
208	A	89.8	Confident	89.7	Confident	3 Å²	3	48 Å²	48	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-41.7	175.6	0	0	0	0	0	111.7	S28 F31 F204 F205 I206 S211 N212	S28-A208 PolarHBondContact OG-O 3.22Å; F31-A208 HydrophobicContact CB-CB 3.82Å; F204-A208 WeakPolarHBondContact O-CB 3.35Å; F204-A208 PolarHBondContact O-N 3.11Å; F205-A208 PolarHBondContact O-N 2.99Å; I206-A208 VanDerWaalsContact C-N 3.34Å; I206-A208 PolarHBondContact O-N 3.25Å; A208-S211 PolarHBondContact O-N 3.49Å; A208-N212 PolarHBondContact O-N 3.06Å
209	F	87.9	Confident	89.2	Confident	55 Å²	55	51.7 Å²	51.7	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-64.8	-48.8	177.6	176.7	-117.1	0	0	0	112.4	N152 F205 I206 C207 S211 N212 I213	N152-F209 HydrophobicContact CB-CD2 3.46Å; N152-F209 VanDerWaalsContact CB-CD2 3.46Å; N152-F209 HydrophobicContact CB-CE2 3.52Å; F205-F209 WeakPolarHBondContact O-CB 3.45Å; F205-F209 PolarHBondContact O-N 3.26Å; I206-F209 WeakPolarHBondContact O-CB 3.48Å; I206-F209 PolarHBondContact O-N 3.49Å; C207-F209 VanDerWaalsContact C-N 3.35Å; F209-S211 VanDerWaalsContact C-N 3.29Å; F209-S211 PolarHBondContact O-N 2.94Å; F209-N212 WeakPolarHBondContact O-CB 3.49Å; F209-N212 PolarHBondContact O-N 2.68Å; F209-N212 VanDerWaalsContact O-N 3.1Å; F209-I213 HydrophobicContact CD1-CD1 3.88Å; F209-I213 HydrophobicContact CD2-CD1 4.35Å; F209-I213 HydrophobicContact CE1-CD1 3.33Å; F209-I213 HydrophobicContact CE1-CG1 4.42Å; F209-I213 HydrophobicContact CE2-CD1 3.86Å; F209-I213 HydrophobicContact CE2-CG1 4.18Å; F209-I213 HydrophobicContact CG-CD1 4.38Å; F209-I213 HydrophobicContact CZ-CD1 3.35Å; F209-I213 HydrophobicContact CZ-CG1 4.15Å; F209-I213 PolarHBondContact O-N 2.92Å
210	V	89.7	Confident	88.7	Confident	76 Å²	76	52.4 Å²	52.4	46%	0.461	28%	0.283	S	S	.	.	H	α-helix	trans	-59.3	-43.2	176.4	172.2	0	0	0	0	110.4	I206 N212 I213 V214	I206-V210 HydrophobicContact CG2-CG2 4.32Å; I206-V210 WeakPolarHBondContact O-CG2 3.31Å; I206-V210 PolarHBondContact O-N 2.87Å; V210-N212 VanDerWaalsContact C-N 3.29Å; V210-N212 PolarHBondContact O-N 3.14Å; V210-I213 PolarHBondContact O-N 2.9Å; V210-V214 HydrophobicContact CG1-CG2 4.44Å; V210-V214 WeakPolarHBondContact O-CG2 3.47Å; V210-V214 PolarHBondContact O-N 2.85Å
211	S	86.3	Confident	88.5	Confident	20 Å²	20	58.4 Å²	58.4	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-39.9	175.9	-59.7	0	0	0	0	112.1	C207 A208 F209 K215	C207-S211 WeakPolarHBondContact O-CB 3.41Å; C207-S211 PolarHBondContact O-N 3.35Å; C207-S211 PolarHBondContact O-OG 3.41Å; A208-S211 PolarHBondContact O-N 3.49Å; F209-S211 VanDerWaalsContact C-N 3.29Å; F209-S211 PolarHBondContact O-N 2.94Å; S211-K215 WeakPolarHBondContact O-CB 3.45Å; S211-K215 PolarHBondContact O-N 3.25Å
212	N	84.4	Confident	88	Confident	28 Å²	28	61.8 Å²	61.8	15%	0.15	31%	0.313	C	S	.	.	H	α-helix	trans	-68.3	-40.2	176.4	-83.5	-24.9	0	0	0	112.9	S28 A208 F209 V210 K215 Y216	S28-N212 WeakPolarHBondContact CB-OD1 3.13Å; S28-N212 PolarHBondContact OG-ND2 3.43Å; S28-N212 PolarHBondContact OG-OD1 3.29Å; A208-N212 PolarHBondContact O-N 3.06Å; F209-N212 WeakPolarHBondContact O-CB 3.49Å; F209-N212 PolarHBondContact O-N 2.68Å; F209-N212 VanDerWaalsContact O-N 3.1Å; V210-N212 VanDerWaalsContact C-N 3.29Å; V210-N212 PolarHBondContact O-N 3.14Å; N212-K215 PolarHBondContact O-N 3.45Å; N212-Y216 PolarHBondContact O-N 3.04Å
213	I	85.6	Confident	87.6	Confident	85 Å²	85	67 Å²	67	44%	0.436	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-47.8	174.3	-71.8	172.2	0	0	0	110.4	F209 V210 K215 Y216 A217	F209-I213 HydrophobicContact CD1-CD1 3.88Å; F209-I213 HydrophobicContact CD2-CD1 4.35Å; F209-I213 HydrophobicContact CE1-CD1 3.33Å; F209-I213 HydrophobicContact CE1-CG1 4.42Å; F209-I213 HydrophobicContact CE2-CD1 3.86Å; F209-I213 HydrophobicContact CE2-CG1 4.18Å; F209-I213 HydrophobicContact CG-CD1 4.38Å; F209-I213 HydrophobicContact CZ-CD1 3.35Å; F209-I213 HydrophobicContact CZ-CG1 4.15Å; F209-I213 PolarHBondContact O-N 2.92Å; V210-I213 PolarHBondContact O-N 2.9Å; I213-K215 VanDerWaalsContact C-N 3.31Å; I213-K215 PolarHBondContact O-N 3.34Å; I213-Y216 WeakPolarHBondContact O-CB 3.13Å; I213-Y216 PolarHBondContact O-N 3.43Å; I213-Y216 VanDerWaalsContact O-N 3.07Å; I213-A217 WeakPolarHBondContact O-CB 3.49Å; I213-A217 PolarHBondContact O-N 2.88Å
214	V	86.6	Confident	87.4	Confident	68 Å²	68	69.3 Å²	69.3	41%	0.412	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-42.2	179	172.9	0	0	0	0	110.7	Y24 V210 Y216 A217 F218	Y24-V214 HydrophobicContact CE1-CG1 4.43Å; V210-V214 HydrophobicContact CG1-CG2 4.44Å; V210-V214 WeakPolarHBondContact O-CG2 3.47Å; V210-V214 PolarHBondContact O-N 2.85Å; V214-Y216 VanDerWaalsContact C-N 3.32Å; V214-Y216 PolarHBondContact O-N 3.36Å; V214-A217 PolarHBondContact O-N 3.01Å; V214-F218 WeakPolarHBondContact O-CB 3.01Å; V214-F218 PolarHBondContact O-N 3.25Å
215	K	82	Confident	87.2	Confident	10 Å²	10	70.4 Å²	70.4	4%	0.043	34%	0.342	C	S	.	.	H	α-helix	trans	-57.4	-44.5	173.1	-175.3	-178.9	-177.1	-178.3	0	111.4	S25 E136 S211 N212 I213 K219	S25-K215 VanDerWaalsContact CB-NZ 3.27Å; S25-K215 PolarHBondContact OG-NZ 3.1Å; E136-K215 IonicContact OE1-NZ 2.92Å; E136-K215 PolarHBondContact OE1-NZ 3.04Å; S211-K215 WeakPolarHBondContact O-CB 3.45Å; S211-K215 PolarHBondContact O-N 3.25Å; N212-K215 PolarHBondContact O-N 3.45Å; I213-K215 VanDerWaalsContact C-N 3.31Å; I213-K215 PolarHBondContact O-N 3.34Å; K215-K219 WeakPolarHBondContact O-CB 3.47Å; K215-K219 PolarHBondContact O-N 3.39Å; K215-K219 VanDerWaalsContact O-N 3.07Å
216	Y	80.2	Confident	87.1	Confident	128 Å²	128	73.9 Å²	73.9	50%	0.502	36%	0.361	S	S	.	.	H	α-helix	trans	-66.3	-46.1	178.6	-178.5	-98.7	0	0	0	112.3	N212 I213 V214 F218 K219 L220	N212-Y216 PolarHBondContact O-N 3.04Å; I213-Y216 WeakPolarHBondContact O-CB 3.13Å; I213-Y216 PolarHBondContact O-N 3.43Å; I213-Y216 VanDerWaalsContact O-N 3.07Å; V214-Y216 VanDerWaalsContact C-N 3.32Å; V214-Y216 PolarHBondContact O-N 3.36Å; Y216-F218 PolarHBondContact O-N 3.17Å; Y216-K219 PolarHBondContact O-N 2.96Å; Y216-L220 HydrophobicContact CE1-CD2 4.43Å; Y216-L220 WeakPolarHBondContact O-CB 3.39Å; Y216-L220 PolarHBondContact O-N 2.92Å
217	A	86.4	Confident	87	Confident	53 Å²	53	77.9 Å²	77.9	44%	0.438	37%	0.37	S	S	.	.	H	α-helix	trans	-60.7	-45.4	179	0	0	0	0	0	111.7	I213 V214 K219 L220 R221	I213-A217 WeakPolarHBondContact O-CB 3.49Å; I213-A217 PolarHBondContact O-N 2.88Å; V214-A217 PolarHBondContact O-N 3.01Å; A217-K219 PolarHBondContact O-N 2.92Å; A217-L220 PolarHBondContact O-N 2.93Å; A217-R221 WeakPolarHBondContact O-CB 3.49Å; A217-R221 PolarHBondContact O-N 3.42Å
218	F	85	Confident	87	Confident	92 Å²	92	80.7 Å²	80.7	40%	0.404	38%	0.381	S	S	.	.	H	α-helix	trans	-62.7	-43.2	176.1	-172.9	-96.2	0	0	0	111.9	V214 Y216 L220 R221 K222	V214-F218 WeakPolarHBondContact O-CB 3.01Å; V214-F218 PolarHBondContact O-N 3.25Å; Y216-F218 PolarHBondContact O-N 3.17Å; F218-L220 VanDerWaalsContact C-N 3.31Å; F218-L220 PolarHBondContact O-N 3.42Å; F218-R221 PolarHBondContact O-N 3.32Å; F218-K222 PolarHBondContact O-N 3.39Å
219	K	82.6	Confident	87	Confident	84 Å²	84	83.6 Å²	83.6	37%	0.365	40%	0.401	S	S	.	.	H	α-helix	trans	-64.6	-34.6	176.2	-175.6	171.5	-177.4	170.1	0	112.5	K215 Y216 A217 R223	K215-K219 WeakPolarHBondContact O-CB 3.47Å; K215-K219 PolarHBondContact O-N 3.39Å; K215-K219 VanDerWaalsContact O-N 3.07Å; Y216-K219 PolarHBondContact O-N 2.96Å; A217-K219 PolarHBondContact O-N 2.92Å; K219-R223 PolarHBondContact O-N 3.06Å
220	L	85.6	Confident	87.1	Confident	62 Å²	62	85.8 Å²	85.8	33%	0.325	41%	0.414	S	S	.	.	H	α-helix	trans	-69.6	-49.3	176.1	-176	63.8	0	0	0	111	Y216 A217 F218 K222 R223 M224	Y216-L220 HydrophobicContact CE1-CD2 4.43Å; Y216-L220 WeakPolarHBondContact O-CB 3.39Å; Y216-L220 PolarHBondContact O-N 2.92Å; A217-L220 PolarHBondContact O-N 2.93Å; F218-L220 VanDerWaalsContact C-N 3.31Å; F218-L220 PolarHBondContact O-N 3.42Å; L220-K222 VanDerWaalsContact C-N 3.3Å; L220-K222 PolarHBondContact O-N 3.32Å; L220-R223 PolarHBondContact O-N 3.24Å; L220-R223 VanDerWaalsContact O-N 3.1Å; L220-M224 HydrophobicContact CD1-CE 4.14Å; L220-M224 HydrophobicContact CD2-CE 4.11Å; L220-M224 HydrophobicContact CG-CE 3.9Å; L220-M224 PolarHBondContact O-N 2.81Å
221	R	89.2	Confident	87.1	Confident	161 Å²	161	87.3 Å²	87.3	61%	0.608	42%	0.419	S	S	*	.	H	α-helix	trans	-53.5	-48.1	176.3	178.8	175.8	177.5	161.9	5.1	111.6	A217 F218 R223 M224 E225	A217-R221 WeakPolarHBondContact O-CB 3.49Å; A217-R221 PolarHBondContact O-N 3.42Å; F218-R221 PolarHBondContact O-N 3.32Å; R221-R223 PolarHBondContact O-N 3.14Å; R221-M224 WeakPolarHBondContact O-CB 3.44Å; R221-M224 PolarHBondContact O-N 3.08Å; R221-E225 WeakPolarHBondContact CG-OE1 3.39Å; R221-E225 IonicContact CZ-OE1 3Å; R221-E225 IonicContact NE-OE1 3.16Å; R221-E225 PolarHBondContact NE-OE1 3.05Å; R221-E225 IonicContact NH2-OE1 3.73Å; R221-E225 PolarHBondContact O-N 3.26Å
222	K	84.7	Confident	87.2	Confident	70 Å²	70	92.2 Å²	92.2	30%	0.304	44%	0.439	S	S	.	.	H	α-helix	trans	-59.8	-42.8	177.6	-176.6	170.7	-178.3	172.7	0	112.9	C17 F218 L220 M224 E225 D226	C17-K222 PolarHBondContact SG-NZ 3.14Å; F218-K222 PolarHBondContact O-N 3.39Å; L220-K222 VanDerWaalsContact C-N 3.3Å; L220-K222 PolarHBondContact O-N 3.32Å; K222-M224 PolarHBondContact O-N 3.43Å; K222-E225 PolarHBondContact O-N 2.95Å; K222-D226 WeakPolarHBondContact O-CB 3.44Å; K222-D226 VanDerWaalsContact O-CG 3.22Å; K222-D226 PolarHBondContact O-N 3.5Å
223	R	87.3	Confident	87.4	Confident	117 Å²	117	95.2 Å²	95.2	44%	0.442	46%	0.456	S	S	.	.	H	α-helix	trans	-63.8	-30.7	176.3	-80.2	-173.7	-68.8	-170.3	3.8	112.7	K219 L220 R221 R227	K219-R223 PolarHBondContact O-N 3.06Å; L220-R223 PolarHBondContact O-N 3.24Å; L220-R223 VanDerWaalsContact O-N 3.1Å; R221-R223 PolarHBondContact O-N 3.14Å; R223-R227 WeakPolarHBondContact O-CB 3.26Å; R223-R227 WeakPolarHBondContact O-CG 3.29Å; R223-R227 PolarHBondContact O-N 3.22Å; R223-R227 VanDerWaalsContact O-N 3.17Å
224	M	89.8	Confident	87.6	Confident	118 Å²	118	94.1 Å²	94.1	58%	0.581	46%	0.456	S	S	*	.	H	α-helix	trans	-71.3	-45.2	174.2	-66.7	174	170.6	0	0	110.9	L220 R221 K222 R227 L228	L220-M224 HydrophobicContact CD1-CE 4.14Å; L220-M224 HydrophobicContact CD2-CE 4.11Å; L220-M224 HydrophobicContact CG-CE 3.9Å; L220-M224 PolarHBondContact O-N 2.81Å; R221-M224 WeakPolarHBondContact O-CB 3.44Å; R221-M224 PolarHBondContact O-N 3.08Å; K222-M224 PolarHBondContact O-N 3.43Å; M224-R227 PolarHBondContact O-N 3.36Å; M224-L228 WeakPolarHBondContact O-CB 3.37Å; M224-L228 PolarHBondContact O-N 2.95Å
225	E	91	Very high	87.7	Confident	92 Å²	92	98.1 Å²	98.1	43%	0.43	47%	0.467	S	S	.	.	H	α-helix	trans	-59.3	-48	175.4	-70.1	168.3	-179.3	0	0	111.1	R221 K222 R227 L228 C229	R221-E225 WeakPolarHBondContact CG-OE1 3.39Å; R221-E225 IonicContact CZ-OE1 3Å; R221-E225 IonicContact NE-OE1 3.16Å; R221-E225 PolarHBondContact NE-OE1 3.05Å; R221-E225 IonicContact NH2-OE1 3.73Å; R221-E225 PolarHBondContact O-N 3.26Å; K222-E225 PolarHBondContact O-N 2.95Å; E225-R227 VanDerWaalsContact C-N 3.3Å; E225-R227 PolarHBondContact O-N 3.12Å; E225-L228 PolarHBondContact O-N 3.18Å; E225-C229 PolarHBondContact O-N 3.41Å; E225-C229 PolarHBondContact O-SG 3.41Å; E225-C229 VanDerWaalsContact O-SG 3.41Å
226	D	89.6	Confident	87.9	Confident	82 Å²	82	100.6 Å²	100.6	44%	0.439	48%	0.484	S	S	.	.	H	α-helix	trans	-60.3	-38.3	177	-66.6	-23	0	0	0	112	K222 L230	K222-D226 WeakPolarHBondContact O-CB 3.44Å; K222-D226 VanDerWaalsContact O-CG 3.22Å; K222-D226 PolarHBondContact O-N 3.5Å; D226-L230 VanDerWaalsContact O-CG 3.29Å; D226-L230 WeakPolarHBondContact O-CG 3.44Å; D226-L230 PolarHBondContact O-N 3.24Å
227	R	91.5	Very high	88	Confident	178 Å²	178	101 Å²	101	67%	0.672	49%	0.49	S	S	*	.	H	α-helix	trans	-70.3	-38.3	177.2	-75.8	-74.3	-171.6	-152.1	1.8	112.2	R223 M224 E225 L230 I231	R223-R227 WeakPolarHBondContact O-CB 3.26Å; R223-R227 WeakPolarHBondContact O-CG 3.29Å; R223-R227 PolarHBondContact O-N 3.22Å; R223-R227 VanDerWaalsContact O-N 3.17Å; M224-R227 PolarHBondContact O-N 3.36Å; E225-R227 VanDerWaalsContact C-N 3.3Å; E225-R227 PolarHBondContact O-N 3.12Å; R227-L230 PolarHBondContact O-N 3.48Å; R227-I231 WeakPolarHBondContact O-CG1 3.37Å; R227-I231 PolarHBondContact O-N 3.02Å; R227-I231 VanDerWaalsContact O-N 3.12Å
228	L	91.9	Very high	88	Confident	112 Å²	112	101.4 Å²	101.4	59%	0.586	49%	0.493	S	S	*	.	H	α-helix	trans	-65.8	-45.5	178.4	-174.3	63.4	0	0	0	110.9	M224 E225 L230 I231 E232	M224-L228 WeakPolarHBondContact O-CB 3.37Å; M224-L228 PolarHBondContact O-N 2.95Å; E225-L228 PolarHBondContact O-N 3.18Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 2.95Å; L228-I231 PolarHBondContact O-N 3.29Å; L228-I231 VanDerWaalsContact O-N 3.14Å; L228-E232 PolarHBondContact O-N 3.39Å
229	C	89.2	Confident	87.9	Confident	65 Å²	65	100.4 Å²	100.4	44%	0.439	50%	0.498	S	S	.	.	H	α-helix	trans	-61.6	-36.3	176	-65.6	0	0	0	0	112.6	E225 E232 N233	E225-C229 PolarHBondContact O-N 3.41Å; E225-C229 PolarHBondContact O-SG 3.41Å; E225-C229 VanDerWaalsContact O-SG 3.41Å; C229-E232 PolarHBondContact O-N 2.76Å; C229-N233 WeakPolarHBondContact O-CB 3.38Å; C229-N233 PolarHBondContact O-N 2.94Å; C229-N233 PolarHBondContact O-ND2 3.46Å; C229-N233 PolarHBondContact O-OD1 2.93Å
230	L	89.8	Confident	87.9	Confident	100 Å²	100	103.2 Å²	103.2	52%	0.524	51%	0.514	S	S	.	.	H	α-helix	trans	-66.2	-38.8	174.9	-73.8	171	0	0	0	112.4	D226 R227 L228 S234	D226-L230 VanDerWaalsContact O-CG 3.29Å; D226-L230 WeakPolarHBondContact O-CG 3.44Å; D226-L230 PolarHBondContact O-N 3.24Å; R227-L230 PolarHBondContact O-N 3.48Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 2.95Å; L230-S234 WeakPolarHBondContact O-CB 3.37Å; L230-S234 PolarHBondContact O-N 3.14Å; L230-S234 PolarHBondContact O-OG 3.17Å
231	I	90.2	Very high	87.5	Confident	108 Å²	108	104.2 Å²	104.2	55%	0.554	53%	0.531	S	S	*	.	H	α-helix	trans	-65.7	-46.3	176	-68.1	166.1	0	0	0	109.9	R227 L228 N233 S234 F235	R227-I231 WeakPolarHBondContact O-CG1 3.37Å; R227-I231 PolarHBondContact O-N 3.02Å; R227-I231 VanDerWaalsContact O-N 3.12Å; L228-I231 PolarHBondContact O-N 3.29Å; L228-I231 VanDerWaalsContact O-N 3.14Å; I231-N233 PolarHBondContact O-N 3.45Å; I231-S234 WeakPolarHBondContact CA-OG 3.4Å; I231-S234 PolarHBondContact O-N 3.19Å; I231-S234 PolarHBondContact O-OG 3.38Å; I231-F235 PolarHBondContact O-N 3.36Å
232	E	89.5	Confident	86.4	Confident	123 Å²	123	102.2 Å²	102.2	58%	0.575	53%	0.532	S	S	*	.	H	α-helix	trans	-58.3	-47.6	177.2	-173.7	169.7	-163.4	0	0	111.6	L228 C229 S234 F235 V236	L228-E232 PolarHBondContact O-N 3.39Å; C229-E232 PolarHBondContact O-N 2.76Å; E232-S234 PolarHBondContact O-N 3.48Å; E232-F235 PolarHBondContact O-N 3.06Å; E232-V236 WeakPolarHBondContact O-CG2 3.45Å; E232-V236 PolarHBondContact O-N 3.28Å
233	N	88.6	Confident	85.2	Confident	92 Å²	92	103 Å²	103	49%	0.492	54%	0.544	S	S	.	.	H	α-helix	trans	-62.3	-42.3	176.3	-69.6	-10.3	0	0	0	112.1	C229 I231 F235 V236 E237	C229-N233 WeakPolarHBondContact O-CB 3.38Å; C229-N233 PolarHBondContact O-N 2.94Å; C229-N233 PolarHBondContact O-ND2 3.46Å; C229-N233 PolarHBondContact O-OD1 2.93Å; I231-N233 PolarHBondContact O-N 3.45Å; N233-F235 VanDerWaalsContact C-N 3.32Å; N233-F235 PolarHBondContact O-N 3.27Å; N233-V236 PolarHBondContact O-N 3.45Å; N233-E237 WeakPolarHBondContact O-CG 3.47Å; N233-E237 PolarHBondContact O-N 3.49Å
234	S	88.7	Confident	83.9	Confident	62 Å²	62	102.1 Å²	102.1	43%	0.434	56%	0.556	S	S	.	*	H	α-helix	trans	-66.2	-33.3	178.5	68.8	0	0	0	0	113.2	L230 I231 E232 A238	L230-S234 WeakPolarHBondContact O-CB 3.37Å; L230-S234 PolarHBondContact O-N 3.14Å; L230-S234 PolarHBondContact O-OG 3.17Å; I231-S234 WeakPolarHBondContact CA-OG 3.4Å; I231-S234 PolarHBondContact O-N 3.19Å; I231-S234 PolarHBondContact O-OG 3.38Å; E232-S234 PolarHBondContact O-N 3.48Å; S234-A238 WeakPolarHBondContact O-CB 3.44Å; S234-A238 PolarHBondContact O-N 3.48Å
235	F	88.7	Confident	82.1	Confident	151 Å²	151	103.7 Å²	103.7	66%	0.662	57%	0.567	S	S	*	*	H	α-helix	trans	-68.5	-41.3	174.8	176.9	-100.2	0	0	0	111.3	I231 E232 N233 A238 S239	I231-F235 PolarHBondContact O-N 3.36Å; E232-F235 PolarHBondContact O-N 3.06Å; N233-F235 VanDerWaalsContact C-N 3.32Å; N233-F235 PolarHBondContact O-N 3.27Å; F235-A238 PolarHBondContact O-N 3.08Å; F235-S239 PolarHBondContact O-N 3.06Å; F235-S239 VanDerWaalsContact O-N 3.08Å; F235-S239 PolarHBondContact O-OG 3.43Å
236	V	85.6	Confident	80	Confident	63 Å²	63	105 Å²	105	38%	0.382	58%	0.575	S	S	.	*	H	α-helix	trans	-66.7	-38.8	176.8	170.3	0	0	0	0	111.9	E232 N233 S239 M240	E232-V236 WeakPolarHBondContact O-CG2 3.45Å; E232-V236 PolarHBondContact O-N 3.28Å; N233-V236 PolarHBondContact O-N 3.45Å; V236-S239 PolarHBondContact O-OG 2.93Å; V236-M240 HydrophobicContact CG1-CE 3.28Å; V236-M240 WeakPolarHBondContact O-CG 3.34Å; V236-M240 PolarHBondContact O-N 2.73Å
237	E	84	Confident	77.9	Confident	136 Å²	136	108.3 Å²	108.3	64%	0.636	59%	0.594	S	S	*	*	H	α-helix	trans	-65.5	-41.6	172.9	-74.1	174.7	-179.3	0	0	112.3	N233 S239 M240 A241	N233-E237 WeakPolarHBondContact O-CG 3.47Å; N233-E237 PolarHBondContact O-N 3.49Å; E237-S239 VanDerWaalsContact C-N 3.34Å; E237-S239 PolarHBondContact O-N 3.46Å; E237-M240 PolarHBondContact O-N 2.98Å; E237-A241 PolarHBondContact O-N 2.78Å
238	A	84.5	Confident	75.8	Confident	61 Å²	61	107.5 Å²	107.5	50%	0.504	60%	0.602	S	S	.	*	H	α-helix	trans	-64.9	-35.1	178.5	0	0	0	0	0	113	S234 F235 A241 L242	S234-A238 WeakPolarHBondContact O-CB 3.44Å; S234-A238 PolarHBondContact O-N 3.48Å; F235-A238 PolarHBondContact O-N 3.08Å; A238-A241 PolarHBondContact O-N 3.42Å; A238-L242 PolarHBondContact O-N 2.84Å
239	S	83.9	Confident	73.4	Confident	71 Å²	71	110.5 Å²	110.5	50%	0.497	61%	0.61	S	S	.	*	H	α-helix	trans	-72.6	-31.6	176.2	64.6	0	0	0	0	112.9	F235 V236 E237	F235-S239 PolarHBondContact O-N 3.06Å; F235-S239 VanDerWaalsContact O-N 3.08Å; F235-S239 PolarHBondContact O-OG 3.43Å; V236-S239 PolarHBondContact O-OG 2.93Å; E237-S239 VanDerWaalsContact C-N 3.34Å; E237-S239 PolarHBondContact O-N 3.46Å
240	M	81.9	Confident	71.2	Confident	144 Å²	144	112 Å²	112	71%	0.709	62%	0.621	S	S	*	*	H	α-helix	trans	-73.8	-27.4	173.2	-72	-169.5	-115.6	0	0	113.6	V236 E237	V236-M240 HydrophobicContact CG1-CE 3.28Å; V236-M240 WeakPolarHBondContact O-CG 3.34Å; V236-M240 PolarHBondContact O-N 2.73Å; E237-M240 PolarHBondContact O-N 2.98Å
241	A	78.4	Confident	68.9	Low	82 Å²	82	112.3 Å²	112.3	68%	0.678	63%	0.63	S	S	*	*	H	α-helix	trans	-81.6	-12.3	179	0	0	0	0	0	113.8	E237 A238 P243	E237-A241 PolarHBondContact O-N 2.78Å; A238-A241 PolarHBondContact O-N 3.42Å; A241-P243 WeakPolarHBondContact O-CD 3.49Å
242	L	65.3	Low	66.3	Low	120 Å²	120	117.9 Å²	117.9	63%	0.628	64%	0.644	S	S	*	*	S	Bend	trans	-70	121.6	175.9	-144.5	97.1	0	0	0	108.7	A238 S244	A238-L242 PolarHBondContact O-N 2.84Å; L242-S244 PolarHBondContact O-N 3.07Å
243	P	61	Low	63.8	Low	87 Å²	87	123.1 Å²	123.1	57%	0.565	66%	0.658	S	S	*	*			trans	-61.1	132.1	177.5	23	-31.4	0	0	0	109.7	A241 D245 L246	A241-P243 WeakPolarHBondContact O-CD 3.49Å; P243-D245 PolarHBondContact O-N 3.49Å; P243-L246 PolarHBondContact O-N 3.3Å
244	S	60	Low	61.5	Low	98 Å²	98	123 Å²	123	69%	0.685	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-57.6	-6	176.6	40.1	0	0	0	0	114.6	L242 L246	L242-S244 PolarHBondContact O-N 3.07Å; S244-L246 VanDerWaalsContact C-N 3.34Å
245	D	50.3	Low	59.3	Low	151 Å²	151	126.8 Å²	126.8	81%	0.807	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-87.7	4.5	-179.4	-62.6	-31	0	0	0	114.1	P243	P243-D245 PolarHBondContact O-N 3.49Å
246	L	47.5	Very low	57.1	Low	118 Å²	118	123.8 Å²	123.8	62%	0.618	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-100.5	29.7	171.8	-132.4	97.5	0	0	0	114.2	P243 S244 L248	P243-L246 PolarHBondContact O-N 3.3Å; S244-L246 VanDerWaalsContact C-N 3.34Å; L246-L248 PolarHBondContact O-N 3.24Å
247	D	45.5	Very low	55.1	Low	153 Å²	153	124.7 Å²	124.7	82%	0.818	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	6.3	170	-89.4	-17.4	0	0	0	114.2
248	L	46.7	Very low	52.8	Low	161 Å²	161	123.8 Å²	123.8	84%	0.843	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-5.9	179.4	-132.2	97.5	0	0	0	116.2	L246	L246-L248 PolarHBondContact O-N 3.24Å
249	F	42.6	Very low	50.9	Low	174 Å²	174	131 Å²	131	76%	0.763	71%	0.711	S	S	*	*			trans	-117.5	69.1	170.5	-88.2	-85.4	0	0	0	110.3	P251	F249-P251 WeakPolarHBondContact O-CD 3.13Å; F249-P251 VanDerWaalsContact O-N 3.17Å
250	S	42	Very low	49.2	Very low	96 Å²	96	131.2 Å²	131.2	67%	0.671	71%	0.712	S	S	*	*			trans	-55.4	116.5	153.9	68.4	0	0	0	0	108	R252	S250-R252 PolarHBondContact O-N 3.44Å
251	P	41.4	Very low	47.3	Very low	108 Å²	108	131.5 Å²	131.5	70%	0.701	72%	0.716	S	S	*	*			trans	-70.6	96.9	160.6	-3.6	22.8	0	0	0	103.7	F249 W253	F249-P251 WeakPolarHBondContact O-CD 3.13Å; F249-P251 VanDerWaalsContact O-N 3.17Å; P251-W253 VanDerWaalsContact C-N 3.3Å; P251-W253 PolarHBondContact O-N 3.32Å
252	R	35.9	Very low	45.7	Very low	224 Å²	224	134.8 Å²	134.8	85%	0.845	72%	0.721	S	S	*	*			trans	-51.1	105.1	163.5	179.8	-177.4	-111.9	-150.2	-2.7	105.3	S250 S254	S250-R252 PolarHBondContact O-N 3.44Å; R252-S254 PolarHBondContact O-N 2.93Å
253	W	37.6	Very low	44.3	Very low	233 Å²	233	138.9 Å²	138.9	88%	0.883	73%	0.729	S	S	*	*			trans	-59.7	88.3	167.1	-69.1	88.8	0	0	0	106.3	P251 T255	P251-W253 VanDerWaalsContact C-N 3.3Å; P251-W253 PolarHBondContact O-N 3.32Å; W253-T255 VanDerWaalsContact C-N 3.29Å; W253-T255 PolarHBondContact O-N 2.91Å
254	S	39.9	Very low	43.2	Very low	90 Å²	90	144 Å²	144	63%	0.629	74%	0.743	S	S	*	*			trans	-69.1	100.4	165.7	56.3	0	0	0	0	105.3	R252 S256	R252-S254 PolarHBondContact O-N 2.93Å; S254-S256 PolarHBondContact O-N 3.04Å
255	T	42.1	Very low	42.2	Very low	142 Å²	142	144.6 Å²	144.6	87%	0.871	75%	0.746	S	S	*	*			trans	-60.8	75.8	161.2	49.6	0	0	0	0	108.6	W253	W253-T255 VanDerWaalsContact C-N 3.29Å; W253-T255 PolarHBondContact O-N 2.91Å
256	S	43.1	Very low	42	Very low	87 Å²	87	142 Å²	142	61%	0.608	74%	0.738	S	S	*	*			trans	-141	90	157.9	58.5	0	0	0	0	104.9	S254 D258	S254-S256 PolarHBondContact O-N 3.04Å; S256-D258 PolarHBondContact O-N 3.33Å
257	A	44	Very low	41.6	Very low	82 Å²	82	142.5 Å²	142.5	68%	0.678	75%	0.746	S	S	*	*			trans	-62.7	82.2	170.7	0	0	0	0	0	108.7	W259	A257-W259 PolarHBondContact O-N 3.33Å
258	D	35.8	Very low	41.5	Very low	117 Å²	117	143 Å²	143	63%	0.626	75%	0.747	S	S	*	*			trans	-94.5	84.4	169.1	-147.1	-23.2	0	0	0	107.7	S256 S260	S256-D258 PolarHBondContact O-N 3.33Å; D258-S260 PolarHBondContact O-N 2.91Å; D258-S260 PolarHBondContact OD1-OG 3.28Å
259	W	44.9	Very low	42	Very low	212 Å²	212	139.7 Å²	139.7	80%	0.803	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	9.3	179.5	-69.7	99.7	0	0	0	113.6	A257 L262	A257-W259 PolarHBondContact O-N 3.33Å; W259-L262 HydrophobicContact CE3-CD1 4.36Å; W259-L262 HydrophobicContact CZ3-CD1 4.35Å
260	S	47.8	Very low	42.4	Very low	76 Å²	76	136.8 Å²	136.8	53%	0.531	74%	0.741	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-13.4	-176	61.2	0	0	0	0	114.6	D258	D258-S260 PolarHBondContact O-N 2.91Å; D258-S260 PolarHBondContact OD1-OG 3.28Å
261	L	42.5	Very low	43	Very low	150 Å²	150	137.8 Å²	137.8	79%	0.785	75%	0.745	S	S	*	*			trans	-101.5	6.6	-175.3	-67.5	176.5	0	0	0	116.1	R263	L261-R263 PolarHBondContact O-N 2.95Å; L261-R263 VanDerWaalsContact O-N 3.16Å
262	L	43.8	Very low	43.3	Very low	151 Å²	151	137.3 Å²	137.3	79%	0.791	74%	0.742	S	S	*	*	S	Bend	trans	-79.2	20.2	169.5	-86.2	167.7	0	0	0	113.9	W259	W259-L262 HydrophobicContact CE3-CD1 4.36Å; W259-L262 HydrophobicContact CZ3-CD1 4.35Å
263	R	35.8	Very low	43.8	Very low	206 Å²	206	136.9 Å²	136.9	78%	0.777	74%	0.742	S	S	*	*			trans	-118.5	133.6	166.5	-67.8	-167.8	-154.6	-176.9	7.7	110.7	L261	L261-R263 PolarHBondContact O-N 2.95Å; L261-R263 VanDerWaalsContact O-N 3.16Å
264	F	38.2	Very low	44.1	Very low	196 Å²	196	131.5 Å²	131.5	86%	0.86	74%	0.735	S	S	*	*			trans	94.1	98.7	170	-63.1	-81.1	0	0	0	117.3
265	S	39.2	Very low	45.1	Very low	109 Å²	109	136.5 Å²	136.5	76%	0.762	77%	0.766	S	S	*	*			trans	-27.5	175.4	133.9	-117.4	0	0	0	0	115.6
266	P	45.8	Very low	45.3	Very low	96 Å²	96	136.3 Å²	136.3	62%	0.623	76%	0.76	S	S	*	*			cis	-133.2	179.4	-19.6	34.8	-15.1	0	0	0	113
267	T	39.8	Very low	45.4	Very low	129 Å²	129	138.8 Å²	138.8	79%	0.791	77%	0.768	S	S	*	*			trans	34.1	108.3	150.1	42.7	0	0	0	0	120
268	I	43.7	Very low	45.5	Very low	165 Å²	165	142 Å²	142	85%	0.846	77%	0.774	S	S	*	*			trans	-138.9	108.5	148.6	-62	-179.5	0	0	0	108.7
269	A	56	Low	46	Very low	91 Å²	91	143.5 Å²	143.5	75%	0.752	78%	0.782	S	S	*	*			trans	-78.7	152.3	148	0	0	0	0	0	107.4
270	P	52.3	Low	46.1	Very low	113 Å²	113	139.2 Å²	139.2	73%	0.734	78%	0.781	S	S	*	*				-159.4	-143.2	72.3	44.6	-21.5	0	0	0	111
271	P	53.4	Low	46	Very low	116 Å²	116	143.4 Å²	143.4	75%	0.753	80%	0.798	S	S	*	*			cis	-128.1	-172	-27.2	34.7	-14.1	0	0	0	113.2
272	P	48	Very low	46.3	Very low	98 Å²	98	142.9 Å²	142.9	64%	0.636	80%	0.798	S	S	*	*			trans	-115.8	179.8	-169.6	31.3	-11.5	0	0	0	116.1
273	Y	45.3	Very low	46.4	Very low	215 Å²	215	142.3 Å²	142.3	84%	0.843	80%	0.799	S	S	*	*			trans	88.4	112.5	158	-63.7	-71.4	0	0	0	120.6
274	T	45.8	Very low	47.3	Very low	120 Å²	120	137 Å²	137	74%	0.736	80%	0.801	S	S	*	*			trans	-58.9	150.6	152.2	46.1	0	0	0	0	113.1
275	P	60.6	Low	48.2	Very low	196 Å²	196	131.6 Å²	131.6	100%	1.273	80%	0.796	S	S	*	*			trans	-78.6	0	140.1	33.5	-29	0	0	0	111.8

Retrieved 275 of 275 residues in 633.2 ms (Link to these results)

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