A0A077ZFR2_TRITR Loading...

Metalloprotease TIKI homolog

Metalloprotease that acts as a negative regulator of the Wnt signaling pathway.

AlphaFold DB , UniProt , Accession A0A077ZFR2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 397 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	30.2	Very low	32.5	Very low	234 Å²	234	142.5 Å²	142.5	100%	1.153	83%	0.825	S	S	*	*				0	139	0	-65.1	-173.7	-154.2	0	0	107
2	I	34.9	Very low	32.5	Very low	163 Å²	163	142.4 Å²	142.4	84%	0.836	82%	0.819	S	S	*	*			trans	80	108.5	-167.4	-45.3	164.8	0	0	0	109.9
3	L	37.5	Very low	32.8	Very low	150 Å²	150	144.2 Å²	144.2	79%	0.785	82%	0.823	S	S	*	*			cis	-141.3	99.3	13.6	-85	126.8	0	0	0	108.9
4	A	32.4	Very low	33.3	Very low	116 Å²	116	140.7 Å²	140.7	96%	0.959	80%	0.8	S	S	*	*			trans	-94.4	86.3	155.6	0	0	0	0	0	105.9
5	G	29.2	Very low	33.6	Very low	59 Å²	59	135.9 Å²	135.9	61%	0.608	78%	0.784	S	S	*	*			trans	-167.7	34.3	-166.9	0	0	0	0	0	115.5
6	I	34.5	Very low	34.2	Very low	163 Å²	163	135.6 Å²	135.6	84%	0.836	79%	0.786	S	S	*	*			trans	-143.7	58.7	161	-47.3	177.4	0	0	0	108.5
7	L	31.6	Very low	35.2	Very low	177 Å²	177	129.3 Å²	129.3	93%	0.927	76%	0.756	S	S	*	*			trans	-142.2	63.2	168.1	-88.4	170.9	0	0	0	108.8
8	S	30.5	Very low	36.5	Very low	99 Å²	99	124.2 Å²	124.2	69%	0.692	74%	0.736	S	S	*	*	S	Bend	trans	-163.3	124.6	161.5	56.8	0	0	0	0	110.1
9	Q	29.6	Very low	38.4	Very low	173 Å²	173	122.5 Å²	122.5	81%	0.808	74%	0.737	S	S	*	*			trans	84.5	75.7	164.3	-44.7	-174.2	25.6	0	0	116.8	P11	Q9-P11 VanDerWaalsContact C-CD 3.42Å; Q9-P11 WeakPolarHBondContact O-CD 3.36Å
10	T	33.6	Very low	40.6	Very low	134 Å²	134	120.8 Å²	120.8	82%	0.822	72%	0.72	S	S	*	*			trans	-92.4	91.1	137.6	52.6	0	0	0	0	107.8	N12	T10-N12 PolarHBondContact O-N 3.24Å
11	P	33.2	Very low	42.7	Very low	100 Å²	100	116.5 Å²	116.5	65%	0.649	70%	0.695	S	S	*	*			trans	-71.7	124.5	175.3	29.8	-30.6	0	0	0	109.1	Q9 L13	Q9-P11 VanDerWaalsContact C-CD 3.42Å; Q9-P11 WeakPolarHBondContact O-CD 3.36Å; P11-L13 PolarHBondContact O-N 3.18Å
12	N	32.5	Very low	45.3	Very low	141 Å²	141	110.2 Å²	110.2	75%	0.754	67%	0.674	S	S	*	*			trans	42.6	63.3	152.4	-69.1	-27.7	0	0	0	117.4	T10 L14	T10-N12 PolarHBondContact O-N 3.24Å; N12-L14 PolarHBondContact O-N 3.12Å; N12-L14 VanDerWaalsContact O-N 3.13Å
13	L	36.8	Very low	47.6	Very low	165 Å²	165	106.2 Å²	106.2	86%	0.864	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	8.4	163.6	-116.4	134.3	0	0	0	113.5	P11	P11-L13 PolarHBondContact O-N 3.18Å
14	L	39.8	Very low	49.8	Very low	96 Å²	96	99.5 Å²	99.5	50%	0.503	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.6	-1.1	-171.1	-83.5	165.1	0	0	0	115.8	N12 Y74	N12-L14 PolarHBondContact O-N 3.12Å; N12-L14 VanDerWaalsContact O-N 3.13Å; L14-Y74 HydrophobicContact CD2-CD2 3.63Å; L14-Y74 HydrophobicContact CD2-CE2 3.94Å
15	A	38.3	Very low	52	Low	69 Å²	69	98.7 Å²	98.7	57%	0.57	60%	0.602	S	S	*	*	S	Bend	trans	-120.9	-15.9	-167.9	0	0	0	0	0	117.9
16	T	43.1	Very low	54.1	Low	131 Å²	131	98.5 Å²	98.5	80%	0.804	59%	0.591	S	S	*	*			trans	-102.3	92.6	178.3	57.6	0	0	0	0	110.1
17	G	50.8	Low	55.5	Low	28 Å²	28	100 Å²	100	29%	0.289	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-65.3	134.2	160.2	0	0	0	0	0	108	A19	G17-A19 PolarHBondContact O-N 2.78Å
18	G	59.4	Low	57.1	Low	37 Å²	37	95.1 Å²	95.1	38%	0.381	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-54.7	136.2	175.1	0	0	0	0	0	109.8	K20 E63	G18-K20 PolarHBondContact O-N 3.31Å; G18-E63 PolarHBondContact N-O 3.46Å; G18-E63 VanDerWaalsContact N-O 3.11Å
19	A	72.4	Confident	58.7	Low	93 Å²	93	91.5 Å²	91.5	77%	0.769	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-54.3	135.8	172	0	0	0	0	0	108.5	G17	G17-A19 PolarHBondContact O-N 2.78Å
20	K	81.9	Confident	60.1	Low	88 Å²	88	84.2 Å²	84.2	38%	0.383	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-58.6	141.6	177.6	-71.5	-172.3	177.1	-119.8	0	109.5	G18 C24 S35 I260 C261	G18-K20 PolarHBondContact O-N 3.31Å; K20-C24 HydrophobicContact CB-CB 4.24Å; K20-C24 HydrophobicContact CD-CB 4.47Å; K20-S35 WeakPolarHBondContact CE-OG 3.33Å; K20-S35 PolarHBondContact NZ-OG 2.76Å; K20-I260 PolarHBondContact NZ-O 3.26Å; K20-C261 PolarHBondContact NZ-O 2.9Å
21	P	84.7	Confident	61.2	Low	30 Å²	30	88.5 Å²	88.5	20%	0.195	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-55.8	150.2	176.2	-27.9	37	0	0	0	112.4	Y23 C24 I260	P21-Y23 HydrophobicContact CB-CD1 3.53Å; P21-Y23 HydrophobicContact CB-CD2 4.49Å; P21-Y23 HydrophobicContact CB-CE1 3.17Å; P21-Y23 HydrophobicContact CB-CE2 4.2Å; P21-Y23 HydrophobicContact CB-CG 4.17Å; P21-Y23 HydrophobicContact CG-CE1 3.76Å; P21-Y23 PolarHBondContact O-N 2.72Å; P21-Y23 VanDerWaalsContact O-N 3.11Å; P21-C24 WeakPolarHBondContact O-CB 3.21Å; P21-C24 PolarHBondContact O-N 2.65Å; P21-I260 HydrophobicContact CG-CG2 4.05Å
22	S	83.8	Confident	62.1	Low	103 Å²	103	87.9 Å²	87.9	72%	0.72	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-54.5	-34.9	-177.2	58	0	0	0	0	113.1	C24 S25	S22-C24 PolarHBondContact O-N 3.21Å; S22-S25 WeakPolarHBondContact O-CB 3.37Å; S22-S25 PolarHBondContact O-N 2.92Å; S22-S25 VanDerWaalsContact O-N 3.13Å; S22-S25 PolarHBondContact O-OG 3.07Å
23	Y	85	Confident	63.1	Low	78 Å²	78	82.8 Å²	82.8	31%	0.306	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-62.6	-22	178.8	64	-107.4	0	0	0	113.8	P21 S25 S26 F29 K257 C261	P21-Y23 HydrophobicContact CB-CD1 3.53Å; P21-Y23 HydrophobicContact CB-CD2 4.49Å; P21-Y23 HydrophobicContact CB-CE1 3.17Å; P21-Y23 HydrophobicContact CB-CE2 4.2Å; P21-Y23 HydrophobicContact CB-CG 4.17Å; P21-Y23 HydrophobicContact CG-CE1 3.76Å; P21-Y23 PolarHBondContact O-N 2.72Å; P21-Y23 VanDerWaalsContact O-N 3.11Å; Y23-S25 PolarHBondContact O-N 3.16Å; Y23-S26 PolarHBondContact O-N 3.23Å; Y23-F29 HydrophobicContact CD2-CE2 4.22Å; Y23-F29 HydrophobicContact CD2-CZ 4.34Å; Y23-F29 VanDerWaalsContact O-CE2 3.28Å; Y23-F29 WeakPolarHBondContact O-CE2 3.47Å; Y23-K257 HydrophobicContact CE2-CB 4.15Å; Y23-K257 HydrophobicContact CE2-CD 4.29Å; Y23-K257 HydrophobicContact CE2-CG 3.79Å; Y23-C261 WeakPolarHBondContact CE2-SG 3.1Å
24	C	83.8	Confident	64.1	Low	10 Å²	10	83.1 Å²	83.1	7%	0.068	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-69.9	-8.2	176.4	-66.9	0	0	0	0	114	K20 P21 S22 S26 C261	K20-C24 HydrophobicContact CB-CB 4.24Å; K20-C24 HydrophobicContact CD-CB 4.47Å; P21-C24 WeakPolarHBondContact O-CB 3.21Å; P21-C24 PolarHBondContact O-N 2.65Å; S22-C24 PolarHBondContact O-N 3.21Å; C24-S26 PolarHBondContact O-N 3.46Å; C24-C261 WeakPolarHBondContact CA-SG 3.46Å; C24-C261 HydrophobicContact CB-CB 3.72Å; C24-C261 WeakPolarHBondContact CB-SG 3.21Å; C24-C261 WeakPolarHBondContact SG-CA 3.39Å; C24-C261 WeakPolarHBondContact SG-CB 3.37Å; C24-C261 CovalentContact SG-SG 2.05Å; C24-C261 PolarHBondContact SG-SG 3.01Å
25	S	77.9	Confident	65.4	Low	98 Å²	98	79.1 Å²	79.1	69%	0.685	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-73.7	-15.6	175	-52.1	0	0	0	0	112.9	S22 Y23	S22-S25 WeakPolarHBondContact O-CB 3.37Å; S22-S25 PolarHBondContact O-N 2.92Å; S22-S25 VanDerWaalsContact O-N 3.13Å; S22-S25 PolarHBondContact O-OG 3.07Å; Y23-S25 PolarHBondContact O-N 3.16Å
26	S	73.8	Confident	67.5	Low	55 Å²	55	76.7 Å²	76.7	39%	0.385	45%	0.445	S	S	.	.	S	Bend	trans	-62	140	177	174.7	0	0	0	0	112	Y23 C24 S28 F29	Y23-S26 PolarHBondContact O-N 3.23Å; C24-S26 PolarHBondContact O-N 3.46Å; S26-S28 PolarHBondContact O-N 3.47Å; S26-S28 VanDerWaalsContact O-N 3.12Å; S26-S28 PolarHBondContact OG-N 3Å; S26-S28 PolarHBondContact OG-OG 3.44Å; S26-F29 PolarHBondContact O-N 3.17Å
27	K	63.7	Low	69.5	Low	195 Å²	195	70.9 Å²	70.9	85%	0.848	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.3	174.5	-70.5	-175.3	179.5	178.3	0	113	F29 T30	K27-F29 PolarHBondContact O-N 3.38Å; K27-T30 PolarHBondContact O-N 3.4Å
28	S	65.4	Low	71.5	Confident	75 Å²	75	69.7 Å²	69.7	52%	0.524	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.4	178.8	58.7	0	0	0	0	113.5	S26	S26-S28 PolarHBondContact O-N 3.47Å; S26-S28 VanDerWaalsContact O-N 3.12Å; S26-S28 PolarHBondContact OG-N 3Å; S26-S28 PolarHBondContact OG-OG 3.44Å
29	F	62.6	Low	73.2	Confident	22 Å²	22	68 Å²	68	10%	0.096	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-23.9	-174.9	-61.5	-69.9	0	0	0	114.2	Y23 S26 K27 K257 H258 C261 S263	Y23-F29 HydrophobicContact CD2-CE2 4.22Å; Y23-F29 HydrophobicContact CD2-CZ 4.34Å; Y23-F29 VanDerWaalsContact O-CE2 3.28Å; Y23-F29 WeakPolarHBondContact O-CE2 3.47Å; S26-F29 PolarHBondContact O-N 3.17Å; K27-F29 PolarHBondContact O-N 3.38Å; F29-K257 HydrophobicContact CE1-CB 4.21Å; F29-K257 HydrophobicContact CZ-CB 4.44Å; F29-H258 AromaticContact CD1-CE1 3.82Å; F29-H258 AromaticContact CD1-CG 3.94Å; F29-H258 AromaticContact CD1-ND1 3.76Å; F29-H258 AromaticContact CD1-NE2 3.98Å; F29-H258 AromaticContact CE1-CD2 3.62Å; F29-H258 AromaticContact CE1-CE1 3.92Å; F29-H258 AromaticContact CE1-CG 3.93Å; F29-H258 AromaticContact CE1-NE2 3.6Å; F29-C261 HydrophobicContact CB-CB 3.56Å; F29-C261 HydrophobicContact CD1-CB 3.74Å; F29-C261 HydrophobicContact CD2-CB 4.19Å; F29-C261 HydrophobicContact CE1-CB 4.5Å; F29-C261 HydrophobicContact CG-CB 3.55Å; F29-S263 WeakPolarHBondContact O-CA 3.35Å
30	T	59.9	Low	74.4	Confident	21 Å²	21	64.2 Å²	64.2	13%	0.129	34%	0.344	C	S	.	.			trans	-131.9	101	-176.1	64.5	0	0	0	0	111.2	K27 S32	K27-T30 PolarHBondContact O-N 3.4Å; T30-S32 PolarHBondContact O-N 2.98Å
31	K	55.8	Low	75.2	Confident	224 Å²	224	64.8 Å²	64.8	97%	0.974	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.9	174	-77.3	-174.4	178.5	175.9	0	113
32	S	53.5	Low	75.8	Confident	86 Å²	86	63.4 Å²	63.4	60%	0.601	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	14.1	-174.1	89.6	0	0	0	0	114.9	T30 R34	T30-S32 PolarHBondContact O-N 2.98Å; S32-R34 PolarHBondContact O-N 2.92Å
33	G	53.3	Low	76.5	Confident	35 Å²	35	66 Å²	66	36%	0.361	33%	0.329	S	S	.	.	S	Bend	trans	65.2	-0.7	-173.6	0	0	0	0	0	115.6	K381	G33-K381 WeakPolarHBondContact O-CE 3.11Å
34	R	57.9	Low	77	Confident	172 Å²	172	64.1 Å²	64.1	65%	0.649	32%	0.322	S	S	*	.			trans	-91.1	115.9	173.9	-66.1	179.7	-177.8	175.3	2.2	108.4	S32	S32-R34 PolarHBondContact O-N 2.92Å
35	S	67.6	Low	77.6	Confident	12 Å²	12	75 Å²	75	8%	0.084	36%	0.361	C	S	.	.			trans	-75.8	124.9	168.5	172.8	0	0	0	0	108.7	K20	K20-S35 WeakPolarHBondContact CE-OG 3.33Å; K20-S35 PolarHBondContact NZ-OG 2.76Å
36	N	80.8	Confident	78.5	Confident	17 Å²	17	72.4 Å²	72.4	9%	0.091	34%	0.342	C	S	.	.			trans	-74.6	151	165.8	-159.6	-23.9	0	0	0	109.5	F38 G262 L264	N36-F38 PolarHBondContact OD1-N 3.35Å; N36-G262 PolarHBondContact N-O 3.3Å; N36-G262 WeakPolarHBondContact O-CA 3.46Å; N36-L264 HydrophobicContact CB-CD1 4.07Å; N36-L264 HydrophobicContact CB-CD2 3.7Å; N36-L264 HydrophobicContact CB-CG 3.94Å; N36-L264 VanDerWaalsContact ND2-CD1 3.33Å; N36-L264 WeakPolarHBondContact ND2-CD1 3.47Å; N36-L264 WeakPolarHBondContact ND2-CD2 3.4Å
37	S	85.8	Confident	79.7	Confident	9 Å²	9	72 Å²	72	6%	0.063	34%	0.338	C	S	.	.			trans	-98.2	1.3	172.7	58.6	0	0	0	0	112.5	L39 V377	S37-L39 PolarHBondContact O-N 2.85Å; S37-L39 VanDerWaalsContact O-N 3.17Å; S37-L39 WeakPolarHBondContact OG-CB 3.35Å; S37-L39 PolarHBondContact OG-N 3.09Å; S37-V377 PolarHBondContact OG-O 3.43Å
38	F	92.7	Very high	81.4	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.018	30%	0.297	C	S	.	.	S	Bend	trans	52.3	26.9	-166.3	-67.3	-87	0	0	0	112.9	N36 W40 F51 G52 Y259 S263 L264 F269 A354	N36-F38 PolarHBondContact OD1-N 3.35Å; F38-W40 HydrophobicContact CB-CH2 4.41Å; F38-W40 HydrophobicContact CB-CZ3 4.27Å; F38-W40 HydrophobicContact CD1-CH2 4.08Å; F38-W40 WeakPolarHBondContact O-CZ3 3.45Å; F38-F51 HydrophobicContact CB-CE2 4.43Å; F38-F51 CarbonylContact O-C 3.59Å; F38-F51 VanDerWaalsContact O-CA 3.26Å; F38-F51 WeakPolarHBondContact O-CA 3.4Å; F38-F51 WeakPolarHBondContact O-CD2 3.49Å; F38-G52 PolarHBondContact O-N 3.38Å; F38-Y259 HydrophobicContact CB-CE2 4.28Å; F38-Y259 HydrophobicContact CD1-CD2 4.41Å; F38-Y259 HydrophobicContact CD1-CE2 4.09Å; F38-Y259 AromaticContact CD2-CD2 3.82Å; F38-Y259 HydrophobicContact CD2-CD2 3.82Å; F38-Y259 AromaticContact CD2-CE2 3.61Å; F38-Y259 HydrophobicContact CD2-CE2 3.61Å; F38-Y259 HydrophobicContact CD2-CG 4.48Å; F38-Y259 HydrophobicContact CE1-CD2 4.18Å; F38-Y259 HydrophobicContact CE1-CE2 4.31Å; F38-Y259 AromaticContact CE2-CD2 3.54Å; F38-Y259 HydrophobicContact CE2-CD2 3.54Å; F38-Y259 AromaticContact CE2-CE2 3.86Å; F38-Y259 HydrophobicContact CE2-CE2 3.86Å; F38-Y259 HydrophobicContact CE2-CG 4.08Å; F38-Y259 WeakPolarHBondContact CE2-O 3.39Å; F38-Y259 HydrophobicContact CG-CD2 4.24Å; F38-Y259 AromaticContact CG-CE2 3.73Å; F38-Y259 HydrophobicContact CG-CE2 3.73Å; F38-Y259 AromaticContact CZ-CD2 3.73Å; F38-Y259 HydrophobicContact CZ-CD2 3.73Å; F38-Y259 HydrophobicContact CZ-CE2 4.19Å; F38-S263 WeakPolarHBondContact CZ-O 2.95Å; F38-L264 HydrophobicContact CE1-CD2 4.15Å; F38-F269 HydrophobicContact CE1-CE1 4.27Å; F38-F269 HydrophobicContact CE1-CE2 4.06Å; F38-F269 AromaticContact CE1-CZ 3.88Å; F38-F269 HydrophobicContact CE1-CZ 3.88Å; F38-F269 HydrophobicContact CE2-CZ 4.47Å; F38-F269 HydrophobicContact CZ-CE1 4.07Å; F38-F269 AromaticContact CZ-CE2 3.85Å; F38-F269 HydrophobicContact CZ-CE2 3.85Å; F38-F269 AromaticContact CZ-CZ 3.43Å; F38-F269 HydrophobicContact CZ-CZ 3.43Å; F38-F269 VanDerWaalsContact CZ-CZ 3.43Å; F38-A354 HydrophobicContact CD1-CB 3.95Å; F38-A354 HydrophobicContact CE1-CB 3.96Å
39	L	95.8	Very high	82.9	Confident	0 Å²	0	61 Å²	61	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.4	178.1	-172	76	0	0	0	109.6	S37 Y49 F50 F51 V68 A69 A72 F349 V377	S37-L39 PolarHBondContact O-N 2.85Å; S37-L39 VanDerWaalsContact O-N 3.17Å; S37-L39 WeakPolarHBondContact OG-CB 3.35Å; S37-L39 PolarHBondContact OG-N 3.09Å; L39-Y49 HydrophobicContact CD1-CD1 4.1Å; L39-Y49 HydrophobicContact CD1-CG 4.39Å; L39-Y49 HydrophobicContact CD2-CD1 4.24Å; L39-Y49 HydrophobicContact CG-CD1 4.17Å; L39-F50 WeakPolarHBondContact CA-O 3.37Å; L39-F51 HydrophobicContact CD1-CB 4.31Å; L39-F51 HydrophobicContact CD1-CD2 4.29Å; L39-V68 HydrophobicContact CD2-CG1 4.14Å; L39-A69 HydrophobicContact CB-CB 4.28Å; L39-A69 HydrophobicContact CD1-CB 4.12Å; L39-A69 HydrophobicContact CD2-CB 4.06Å; L39-A69 HydrophobicContact CG-CB 4.39Å; L39-A72 HydrophobicContact CD1-CB 4.42Å; L39-A72 HydrophobicContact CD2-CB 4.28Å; L39-F349 HydrophobicContact CD1-CE2 3.89Å; L39-F349 HydrophobicContact CD1-CZ 4.42Å; L39-V377 HydrophobicContact CB-CB 4.2Å; L39-V377 HydrophobicContact CB-CG2 4.45Å; L39-V377 HydrophobicContact CD2-CB 3.89Å; L39-V377 HydrophobicContact CD2-CG1 4.08Å; L39-V377 HydrophobicContact CD2-CG2 3.82Å; L39-V377 HydrophobicContact CG-CB 4.21Å; L39-V377 HydrophobicContact CG-CG2 4Å; L39-V377 PolarHBondContact O-N 3.33Å
40	W	97.1	Very high	84.6	Confident	14 Å²	14	59.9 Å²	59.9	5%	0.053	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.3	172.1	-59.7	-104.8	0	0	0	109.8	F38 Y49 F50 F357 L358 I364 V374 R375	F38-W40 HydrophobicContact CB-CH2 4.41Å; F38-W40 HydrophobicContact CB-CZ3 4.27Å; F38-W40 HydrophobicContact CD1-CH2 4.08Å; F38-W40 WeakPolarHBondContact O-CZ3 3.45Å; W40-Y49 CarbonylContact O-C 3.54Å; W40-Y49 VanDerWaalsContact O-CA 3.23Å; W40-Y49 WeakPolarHBondContact O-CA 3.5Å; W40-F50 HydrophobicContact CB-CB 4.3Å; W40-F50 HydrophobicContact CE3-CB 4.32Å; W40-F50 PolarHBondContact N-O 2.87Å; W40-F50 PolarHBondContact O-N 3.17Å; W40-F357 HydrophobicContact CE3-CB 4.36Å; W40-F357 HydrophobicContact CE3-CD2 4.38Å; W40-F357 HydrophobicContact CE3-CG 4.32Å; W40-F357 HydrophobicContact CH2-CB 3.68Å; W40-F357 HydrophobicContact CH2-CD2 4.33Å; W40-F357 HydrophobicContact CH2-CG 4.3Å; W40-F357 HydrophobicContact CZ2-CB 4.1Å; W40-F357 HydrophobicContact CZ3-CB 3.82Å; W40-F357 AromaticContact CZ3-CD2 3.76Å; W40-F357 HydrophobicContact CZ3-CD2 3.76Å; W40-F357 AromaticContact CZ3-CG 3.93Å; W40-F357 HydrophobicContact CZ3-CG 3.93Å; W40-L358 HydrophobicContact CH2-CD2 4.44Å; W40-L358 HydrophobicContact CZ2-CD2 4.21Å; W40-I364 HydrophobicContact CB-CD1 4.19Å; W40-I364 VanDerWaalsContact CD1-CD1 3.48Å; W40-I364 HydrophobicContact CD2-CD1 3.52Å; W40-I364 HydrophobicContact CE3-CD1 4.17Å; W40-I364 HydrophobicContact CG-CD1 3.5Å; W40-I364 VanDerWaalsContact CG-CD1 3.5Å; W40-I364 HydrophobicContact CZ2-CD1 4.24Å; W40-V374 HydrophobicContact CB-CG1 3.94Å; W40-R375 CarbonylContact C-O 3.53Å; W40-R375 WeakPolarHBondContact CA-O 3.11Å
41	R	97.8	Very high	86.5	Confident	101 Å²	101	59 Å²	59	38%	0.381	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.9	178.7	-175.2	179.9	69.2	179.1	1.2	110.1	P47 Y49 V374 R375 V377	R41-P47 HydrophobicContact CG-CB 4.22Å; R41-Y49 HydrophobicContact CB-CD1 4.09Å; R41-Y49 HydrophobicContact CB-CE1 3.95Å; R41-Y49 HydrophobicContact CG-CD1 4.23Å; R41-Y49 HydrophobicContact CG-CE1 3.77Å; R41-V374 WeakPolarHBondContact O-CA 3.24Å; R41-R375 PolarHBondContact N-O 3.44Å; R41-R375 PolarHBondContact O-N 2.9Å; R41-V377 HydrophobicContact CB-CG2 3.87Å
42	I	98.4	Very high	88.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	117	167.7	-47.6	177.1	0	0	0	107.6	R44 S48 F50 L340 F350 Y372 V374	I42-R44 HydrophobicContact CG2-CG 4.36Å; I42-R44 PolarHBondContact O-N 2.84Å; I42-R44 VanDerWaalsContact O-N 3.16Å; I42-S48 PolarHBondContact N-O 3.02Å; I42-S48 PolarHBondContact O-N 3.12Å; I42-F50 HydrophobicContact CD1-CD2 3.97Å; I42-F50 HydrophobicContact CD1-CE1 4.32Å; I42-F50 HydrophobicContact CD1-CE2 3.46Å; I42-F50 VanDerWaalsContact CD1-CE2 3.46Å; I42-F50 HydrophobicContact CD1-CZ 3.65Å; I42-F50 HydrophobicContact CG1-CD2 4Å; I42-F50 HydrophobicContact CG1-CE2 3.79Å; I42-F50 HydrophobicContact CG1-CZ 4.47Å; I42-L340 HydrophobicContact CD1-CD1 4.14Å; I42-L340 HydrophobicContact CD1-CD2 4.25Å; I42-L340 HydrophobicContact CG2-CD1 4.48Å; I42-F350 HydrophobicContact CD1-CD2 4.37Å; I42-F350 HydrophobicContact CD1-CE2 4.37Å; I42-Y372 HydrophobicContact CG2-CD1 3.73Å; I42-Y372 HydrophobicContact CG2-CG 4.29Å; I42-V374 HydrophobicContact CG1-CG1 4.45Å; I42-V374 HydrophobicContact CG1-CG2 4.19Å; I42-V374 HydrophobicContact CG2-CG2 4.37Å
43	R	97.5	Very high	90.3	Very high	159 Å²	159	44.3 Å²	44.3	60%	0.6	20%	0.195	S	C	*	.			trans	-74.1	106	-177	-172.8	178.3	69.1	167.1	-4.2	110.6	D373	R43-D373 HydrophobicContact CB-CB 3.97Å; R43-D373 WeakPolarHBondContact CB-O 2.87Å; R43-D373 WeakPolarHBondContact CD-OD2 3.45Å; R43-D373 IonicContact CZ-OD2 3.19Å; R43-D373 PolarHBondContact N-O 2.99Å; R43-D373 IonicContact NE-OD2 3.09Å; R43-D373 PolarHBondContact NE-OD2 3.17Å; R43-D373 VanDerWaalsContact NE-OD2 3.09Å; R43-D373 IonicContact NH1-OD2 3.61Å; R43-D373 IonicContact NH2-OD2 3.67Å
44	R	96.4	Very high	92.2	Very high	38 Å²	38	42.6 Å²	42.6	14%	0.143	18%	0.177	C	C	.	.	S	Bend	trans	-160.7	174	174.3	43.9	175.6	-60	168.7	6.9	109.4	I42 P46 P47 L340 H343 P344 K346	I42-R44 HydrophobicContact CG2-CG 4.36Å; I42-R44 PolarHBondContact O-N 2.84Å; I42-R44 VanDerWaalsContact O-N 3.16Å; R44-P46 CarbonylContact C-O 3.57Å; R44-P46 VanDerWaalsContact C-O 3.31Å; R44-P46 WeakPolarHBondContact CG-O 3.47Å; R44-P46 CarbonylContact O-C 3.53Å; R44-P46 VanDerWaalsContact O-C 3.24Å; R44-P47 WeakPolarHBondContact O-CA 3.42Å; R44-L340 VanDerWaalsContact NH1-CB 3.29Å; R44-L340 PolarHBondContact NH1-O 3.15Å; R44-H343 PolarHBondContact NH2-O 3.37Å; R44-P344 PolarHBondContact NH2-O 2.66Å; R44-K346 PolarHBondContact NH2-O 3.01Å
45	R	96.3	Very high	93.8	Very high	238 Å²	238	37.9 Å²	37.9	90%	0.898	16%	0.162	S	C	*	.	S	Bend	trans	-122.4	112.3	176.4	-73.9	-175.6	176.6	153.7	-1.8	110.2
46	P	97.2	Very high	94.9	Very high	43 Å²	43	37.5 Å²	37.5	28%	0.279	16%	0.159	S	C	.	.	S	Bend	cis	-69.1	160.1	-5.8	33.9	-38.6	0	0	0	112	R44 R345 S347	R44-P46 CarbonylContact C-O 3.57Å; R44-P46 VanDerWaalsContact C-O 3.31Å; R44-P46 WeakPolarHBondContact CG-O 3.47Å; R44-P46 CarbonylContact O-C 3.53Å; R44-P46 VanDerWaalsContact O-C 3.24Å; P46-R345 WeakPolarHBondContact CD-O 3.45Å; P46-S347 VanDerWaalsContact CG-N 3.34Å
47	P	97.8	Very high	95.5	Very high	46 Å²	46	37.6 Å²	37.6	30%	0.299	16%	0.161	S	C	.	.			trans	-67.1	156.1	-179.6	28.9	-35.4	0	0	0	111.6	R41 R44 Y49 S347	R41-P47 HydrophobicContact CG-CB 4.22Å; R44-P47 WeakPolarHBondContact O-CA 3.42Å; P47-Y49 HydrophobicContact CB-CE2 4.05Å; P47-Y49 HydrophobicContact CG-CE2 3.99Å; P47-Y49 WeakPolarHBondContact CG-OH 3.2Å; P47-S347 WeakPolarHBondContact O-CB 3.35Å
48	S	98.6	Very high	96	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	164.6	169.6	-59.5	0	0	0	0	109.9	I42 F348	I42-S48 PolarHBondContact N-O 3.02Å; I42-S48 PolarHBondContact O-N 3.12Å; S48-F348 CarbonylContact C-O 3.31Å; S48-F348 WeakPolarHBondContact CA-O 3.32Å; S48-F348 WeakPolarHBondContact CB-O 3.43Å; S48-F348 PolarHBondContact OG-N 3.42Å; S48-F348 VanDerWaalsContact OG-N 3.1Å
49	Y	98.6	Very high	96.1	Very high	39 Å²	39	43.3 Å²	43.3	15%	0.153	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.2	-169.3	-59.8	-89.9	0	0	0	111.8	L39 W40 R41 P47 A72 F348 F350	L39-Y49 HydrophobicContact CD1-CD1 4.1Å; L39-Y49 HydrophobicContact CD1-CG 4.39Å; L39-Y49 HydrophobicContact CD2-CD1 4.24Å; L39-Y49 HydrophobicContact CG-CD1 4.17Å; W40-Y49 CarbonylContact O-C 3.54Å; W40-Y49 VanDerWaalsContact O-CA 3.23Å; W40-Y49 WeakPolarHBondContact O-CA 3.5Å; R41-Y49 HydrophobicContact CB-CD1 4.09Å; R41-Y49 HydrophobicContact CB-CE1 3.95Å; R41-Y49 HydrophobicContact CG-CD1 4.23Å; R41-Y49 HydrophobicContact CG-CE1 3.77Å; P47-Y49 HydrophobicContact CB-CE2 4.05Å; P47-Y49 HydrophobicContact CG-CE2 3.99Å; P47-Y49 WeakPolarHBondContact CG-OH 3.2Å; Y49-A72 HydrophobicContact CD1-CB 3.97Å; Y49-A72 HydrophobicContact CD2-CB 3.95Å; Y49-A72 HydrophobicContact CE1-CB 3.97Å; Y49-A72 HydrophobicContact CE2-CB 3.99Å; Y49-A72 HydrophobicContact CG-CB 3.95Å; Y49-F348 PolarHBondContact N-O 2.86Å; Y49-F350 PolarHBondContact O-N 3.34Å
50	F	98.6	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.7	160.1	-67.5	-62.6	0	0	0	109	L39 W40 I42 V336 F350 F352 F357 V363 I364 V367 V374	L39-F50 WeakPolarHBondContact CA-O 3.37Å; W40-F50 HydrophobicContact CB-CB 4.3Å; W40-F50 HydrophobicContact CE3-CB 4.32Å; W40-F50 PolarHBondContact N-O 2.87Å; W40-F50 PolarHBondContact O-N 3.17Å; I42-F50 HydrophobicContact CD1-CD2 3.97Å; I42-F50 HydrophobicContact CD1-CE1 4.32Å; I42-F50 HydrophobicContact CD1-CE2 3.46Å; I42-F50 VanDerWaalsContact CD1-CE2 3.46Å; I42-F50 HydrophobicContact CD1-CZ 3.65Å; I42-F50 HydrophobicContact CG1-CD2 4Å; I42-F50 HydrophobicContact CG1-CE2 3.79Å; I42-F50 HydrophobicContact CG1-CZ 4.47Å; F50-V336 HydrophobicContact CE1-CG1 3.95Å; F50-V336 HydrophobicContact CE1-CG2 4.1Å; F50-V336 HydrophobicContact CZ-CG1 3.76Å; F50-F350 CarbonylContact C-O 3.51Å; F50-F350 VanDerWaalsContact CA-O 3.32Å; F50-F350 WeakPolarHBondContact CA-O 3.4Å; F50-F350 HydrophobicContact CD1-CB 3.55Å; F50-F350 HydrophobicContact CD1-CD2 4.11Å; F50-F350 HydrophobicContact CD1-CG 4.15Å; F50-F350 HydrophobicContact CE1-CB 3.85Å; F50-F350 AromaticContact CE1-CD2 3.81Å; F50-F350 HydrophobicContact CE1-CD2 3.81Å; F50-F350 AromaticContact CE1-CG 3.97Å; F50-F350 HydrophobicContact CE1-CG 3.97Å; F50-F352 HydrophobicContact CD1-CE2 4.27Å; F50-F352 HydrophobicContact CE1-CE2 4.13Å; F50-F357 HydrophobicContact CB-CD1 4.22Å; F50-F357 HydrophobicContact CB-CE1 3.66Å; F50-F357 HydrophobicContact CB-CE2 4.44Å; F50-F357 HydrophobicContact CB-CZ 3.77Å; F50-F357 AromaticContact CD1-CE1 3.52Å; F50-F357 HydrophobicContact CD1-CE1 3.52Å; F50-F357 AromaticContact CD1-CZ 3.86Å; F50-F357 HydrophobicContact CD1-CZ 3.86Å; F50-F357 HydrophobicContact CD2-CE1 4.46Å; F50-F357 HydrophobicContact CE1-CE1 4.29Å; F50-F357 HydrophobicContact CG-CD1 4.34Å; F50-F357 AromaticContact CG-CE1 3.65Å; F50-F357 HydrophobicContact CG-CE1 3.65Å; F50-F357 HydrophobicContact CG-CZ 4.12Å; F50-V363 HydrophobicContact CE1-CG1 3.96Å; F50-V363 HydrophobicContact CZ-CG1 3.97Å; F50-I364 HydrophobicContact CD2-CG1 4.11Å; F50-V367 HydrophobicContact CE2-CG1 4.38Å; F50-V367 HydrophobicContact CE2-CG2 4.5Å; F50-V367 HydrophobicContact CZ-CG2 4.07Å; F50-V374 HydrophobicContact CD2-CG1 4.06Å; F50-V374 HydrophobicContact CE2-CG1 4.29Å; F50-V374 HydrophobicContact CE2-CG2 4.48Å
51	F	97.9	Very high	95.8	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.013	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.7	175.5	-179.3	-111.8	0	0	0	110.8	F38 L39 T53 V65 A69 L184 L188 Y259 F349 F350 A351 F352 F357	F38-F51 HydrophobicContact CB-CE2 4.43Å; F38-F51 CarbonylContact O-C 3.59Å; F38-F51 VanDerWaalsContact O-CA 3.26Å; F38-F51 WeakPolarHBondContact O-CA 3.4Å; F38-F51 WeakPolarHBondContact O-CD2 3.49Å; L39-F51 HydrophobicContact CD1-CB 4.31Å; L39-F51 HydrophobicContact CD1-CD2 4.29Å; F51-T53 HydrophobicContact CD1-CG2 3.97Å; F51-T53 HydrophobicContact CE1-CG2 4.07Å; F51-V65 HydrophobicContact CE2-CG1 4.03Å; F51-V65 HydrophobicContact CZ-CG1 3.83Å; F51-V65 HydrophobicContact CZ-CG2 4.17Å; F51-A69 HydrophobicContact CD2-CB 4.13Å; F51-A69 HydrophobicContact CE2-CB 4Å; F51-L184 HydrophobicContact CE1-CD2 4.36Å; F51-L188 HydrophobicContact CD1-CD1 4.2Å; F51-L188 HydrophobicContact CE1-CD1 4.18Å; F51-Y259 VanDerWaalsContact CZ-OH 3.24Å; F51-Y259 WeakPolarHBondContact CZ-OH 3.21Å; F51-F349 HydrophobicContact CB-CD1 4.46Å; F51-F349 HydrophobicContact CB-CE1 3.47Å; F51-F349 VanDerWaalsContact CB-CE1 3.47Å; F51-F349 HydrophobicContact CB-CE2 4.11Å; F51-F349 HydrophobicContact CB-CZ 3.26Å; F51-F349 HydrophobicContact CD1-CE1 4.01Å; F51-F349 AromaticContact CD1-CZ 3.97Å; F51-F349 HydrophobicContact CD1-CZ 3.97Å; F51-F349 HydrophobicContact CD2-CZ 4.26Å; F51-F349 AromaticContact CG-CE1 3.94Å; F51-F349 HydrophobicContact CG-CE1 3.94Å; F51-F349 AromaticContact CG-CZ 3.57Å; F51-F349 HydrophobicContact CG-CZ 3.57Å; F51-F350 PolarHBondContact N-O 2.94Å; F51-A351 HydrophobicContact CB-CB 4.36Å; F51-A351 HydrophobicContact CD1-CB 4.18Å; F51-A351 VanDerWaalsContact O-CA 3.28Å; F51-A351 WeakPolarHBondContact O-CA 3.2Å; F51-F352 PolarHBondContact O-N 3.2Å; F51-F352 VanDerWaalsContact O-N 3.07Å; F51-F357 VanDerWaalsContact O-CE2 3.3Å; F51-F357 WeakPolarHBondContact O-CE2 3.48Å
52	G	95.8	Very high	95.7	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	112.6	178.4	0	0	0	0	0	111.7	F38 Y259 F352	F38-G52 PolarHBondContact O-N 3.38Å; G52-Y259 WeakPolarHBondContact O-CE2 3.31Å; G52-Y259 VanDerWaalsContact O-CZ 3.31Å; G52-Y259 PolarHBondContact O-OH 3.43Å; G52-F352 CarbonylContact C-O 3.45Å; G52-F352 VanDerWaalsContact CA-O 3.29Å; G52-F352 WeakPolarHBondContact CA-O 3.44Å
53	T	95.3	Very high	95.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	167.7	172.1	62	0	0	0	0	111.3	F51 L184 D185 L188 A351 F352 G353 A354	F51-T53 HydrophobicContact CD1-CG2 3.97Å; F51-T53 HydrophobicContact CE1-CG2 4.07Å; T53-L184 HydrophobicContact CG2-CD2 4.27Å; T53-D185 WeakPolarHBondContact CB-OD1 3.44Å; T53-D185 PolarHBondContact OG1-OD1 3.14Å; T53-L188 HydrophobicContact CG2-CD1 3.84Å; T53-A351 HydrophobicContact CG2-CB 3.87Å; T53-F352 PolarHBondContact N-O 3.37Å; T53-F352 VanDerWaalsContact OG1-C 3.28Å; T53-F352 PolarHBondContact OG1-O 3.26Å; T53-G353 CarbonylContact O-C 3.57Å; T53-G353 WeakPolarHBondContact O-CA 3.47Å; T53-G353 PolarHBondContact OG1-N 3.03Å; T53-A354 WeakPolarHBondContact O-CB 3.44Å; T53-A354 PolarHBondContact O-N 3.31Å
54	I	92.5	Very high	95.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.196	C	C	.	.			trans	-136.5	144.7	164.9	48.8	163.4	0	0	0	108	V56 V61 L255 V256 Y259 F269 D272 A354	I54-V56 HydrophobicContact CD1-CG1 4.13Å; I54-V56 HydrophobicContact CD1-CG2 3.72Å; I54-V56 HydrophobicContact CG1-CG1 4.49Å; I54-V56 HydrophobicContact CG1-CG2 3.84Å; I54-V56 PolarHBondContact O-N 3.42Å; I54-V61 HydrophobicContact CD1-CG1 4.05Å; I54-L255 HydrophobicContact CD1-CG 4.27Å; I54-L255 HydrophobicContact CG2-CD1 4.17Å; I54-L255 HydrophobicContact CG2-CG 4.46Å; I54-V256 HydrophobicContact CD1-CG2 4.37Å; I54-Y259 HydrophobicContact CD1-CD1 3.89Å; I54-Y259 HydrophobicContact CD1-CD2 4.01Å; I54-Y259 HydrophobicContact CD1-CG 3.57Å; I54-Y259 HydrophobicContact CG1-CD1 4.12Å; I54-Y259 HydrophobicContact CG1-CD2 3.95Å; I54-Y259 HydrophobicContact CG1-CE1 4.34Å; I54-Y259 HydrophobicContact CG1-CE2 4.16Å; I54-Y259 HydrophobicContact CG1-CG 3.92Å; I54-Y259 HydrophobicContact CG2-CD2 3.8Å; I54-Y259 HydrophobicContact CG2-CE2 4.14Å; I54-Y259 HydrophobicContact CG2-CG 4.45Å; I54-F269 HydrophobicContact CG2-CD1 3.86Å; I54-F269 HydrophobicContact CG2-CE1 3.88Å; I54-D272 WeakPolarHBondContact CA-OD2 3.4Å; I54-A354 HydrophobicContact CG2-CB 4.4Å
55	H	90.6	Very high	94.9	Very high	72 Å²	72	41 Å²	41	33%	0.333	19%	0.191	S	C	.	.	S	Bend	trans	-80.5	63.4	-171.8	-63.3	90.7	0	0	0	112.4	D185 D272	H55-D185 IonicContact CD2-OD2 3.21Å; H55-D272 IonicContact CE1-OD2 3.57Å; H55-D272 IonicContact CG-OD2 3.68Å; H55-D272 PolarHBondContact N-OD2 3.24Å; H55-D272 VanDerWaalsContact N-OD2 3.1Å; H55-D272 IonicContact ND1-OD1 2.82Å; H55-D272 IonicContact ND1-OD2 3.74Å; H55-D272 PolarHBondContact ND1-OD2 2.95Å
56	V	91.2	Very high	94.6	Very high	4 Å²	4	31 Å²	31	2%	0.024	16%	0.155	C	C	.	.	S	Bend	trans	-127.8	159.6	179.9	-54.8	0	0	0	0	110.4	I54 Y58 V61 V183 L184 T252 V256	I54-V56 HydrophobicContact CD1-CG1 4.13Å; I54-V56 HydrophobicContact CD1-CG2 3.72Å; I54-V56 HydrophobicContact CG1-CG1 4.49Å; I54-V56 HydrophobicContact CG1-CG2 3.84Å; I54-V56 PolarHBondContact O-N 3.42Å; V56-Y58 PolarHBondContact O-N 3.31Å; V56-V61 HydrophobicContact CG2-CG1 3.77Å; V56-V61 HydrophobicContact CG2-CG2 4.09Å; V56-V183 CarbonylContact O-C 3.55Å; V56-V183 VanDerWaalsContact O-CA 3.27Å; V56-V183 WeakPolarHBondContact O-CA 3.29Å; V56-L184 PolarHBondContact O-N 2.79Å; V56-T252 HydrophobicContact CG1-CG2 4.31Å; V56-V256 HydrophobicContact CB-CG2 4.31Å; V56-V256 HydrophobicContact CG1-CG2 3.94Å; V56-V256 HydrophobicContact CG2-CG2 4.2Å
57	P	93.3	Very high	94.3	Very high	20 Å²	20	30.8 Å²	30.8	13%	0.13	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-52.3	132.5	175.3	-25.3	34.4	0	0	0	111.5	T59 E60 N178 I181 P182	P57-T59 PolarHBondContact O-N 3.17Å; P57-T59 VanDerWaalsContact O-N 3.11Å; P57-E60 HydrophobicContact CB-CG 4.35Å; P57-E60 PolarHBondContact O-N 2.88Å; P57-N178 HydrophobicContact CG-CB 3.78Å; P57-I181 HydrophobicContact CB-CB 4.21Å; P57-I181 HydrophobicContact CB-CG2 3.81Å; P57-P182 WeakPolarHBondContact CA-O 3.47Å
58	Y	96.1	Very high	94	Very high	66 Å²	66	31.8 Å²	31.8	26%	0.259	16%	0.159	S	C	.	.	H	α-helix	trans	-59.7	-30.4	-174.2	82.8	-85	0	0	0	112.2	V56 E60 V61 W62 I181 P182 Y187	V56-Y58 PolarHBondContact O-N 3.31Å; Y58-E60 PolarHBondContact O-N 3.22Å; Y58-V61 PolarHBondContact O-N 3.1Å; Y58-V61 VanDerWaalsContact O-N 3.14Å; Y58-W62 HydrophobicContact CD2-CB 3.95Å; Y58-W62 HydrophobicContact CD2-CG 4.3Å; Y58-W62 WeakPolarHBondContact O-CB 3.2Å; Y58-W62 PolarHBondContact O-N 3.41Å; Y58-I181 HydrophobicContact CD1-CG2 3.96Å; Y58-I181 HydrophobicContact CE1-CG2 3.91Å; Y58-P182 HydrophobicContact CD1-CB 4.28Å; Y58-P182 WeakPolarHBondContact CD1-O 3.49Å; Y58-P182 PolarHBondContact N-O 2.98Å; Y58-Y187 AromaticContact CD1-CD2 3.88Å; Y58-Y187 HydrophobicContact CD1-CD2 3.88Å; Y58-Y187 HydrophobicContact CD1-CG 4.06Å; Y58-Y187 AromaticContact CD2-CD1 3.99Å; Y58-Y187 HydrophobicContact CD2-CD1 3.99Å; Y58-Y187 AromaticContact CD2-CD2 3.72Å; Y58-Y187 HydrophobicContact CD2-CD2 3.72Å; Y58-Y187 HydrophobicContact CD2-CE1 4.04Å; Y58-Y187 AromaticContact CD2-CE2 3.77Å; Y58-Y187 HydrophobicContact CD2-CE2 3.77Å; Y58-Y187 AromaticContact CD2-CG 3.83Å; Y58-Y187 HydrophobicContact CD2-CG 3.83Å; Y58-Y187 AromaticContact CD2-CZ 3.92Å; Y58-Y187 HydrophobicContact CE1-CD2 4.08Å; Y58-Y187 AromaticContact CE2-CD2 3.94Å; Y58-Y187 HydrophobicContact CE2-CD2 3.94Å; Y58-Y187 AromaticContact CE2-CE2 3.68Å; Y58-Y187 HydrophobicContact CE2-CE2 3.68Å; Y58-Y187 HydrophobicContact CG-CD1 4.05Å; Y58-Y187 AromaticContact CG-CD2 3.7Å; Y58-Y187 HydrophobicContact CG-CD2 3.7Å; Y58-Y187 HydrophobicContact CG-CE2 4.24Å; Y58-Y187 AromaticContact CG-CG 3.59Å; Y58-Y187 HydrophobicContact CG-CG 3.59Å
59	T	95.1	Very high	93.9	Very high	66 Å²	66	31.9 Å²	31.9	41%	0.405	16%	0.16	S	C	.	.	H	α-helix	trans	-59.8	-26.6	178.1	48.9	0	0	0	0	113.2	P57 V61 I181	P57-T59 PolarHBondContact O-N 3.17Å; P57-T59 VanDerWaalsContact O-N 3.11Å; T59-V61 VanDerWaalsContact C-N 3.34Å; T59-I181 HydrophobicContact CG2-CG2 4Å
60	E	92.4	Very high	93.8	Very high	36 Å²	36	31.5 Å²	31.5	17%	0.168	16%	0.159	C	C	.	.	H	α-helix	trans	-76.8	-23	179.7	-62.2	-164.4	170.6	0	0	112.7	P57 Y58 R174 N178 V256 I260	P57-E60 HydrophobicContact CB-CG 4.35Å; P57-E60 PolarHBondContact O-N 2.88Å; Y58-E60 PolarHBondContact O-N 3.22Å; E60-R174 IonicContact OE1-CZ 3.89Å; E60-R174 IonicContact OE1-NE 3Å; E60-R174 PolarHBondContact OE1-NE 3.21Å; E60-R174 IonicContact OE1-NH2 2.72Å; E60-R174 PolarHBondContact OE1-NH2 2.87Å; E60-R174 IonicContact OE2-CZ 3.34Å; E60-R174 IonicContact OE2-NH2 3.73Å; E60-R174 PolarHBondContact OE2-NH2 2.8Å; E60-N178 PolarHBondContact OE1-ND2 2.89Å; E60-V256 HydrophobicContact CB-CG1 4.3Å; E60-V256 WeakPolarHBondContact OE2-CG2 3.47Å; E60-I260 WeakPolarHBondContact O-CD1 3.32Å
61	V	94.1	Very high	93.6	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-128.8	-31.8	-167.1	-65.7	0	0	0	0	114.4	I54 V56 Y58 T59 E63 H64 V65 L184 V256 Y259 I260	I54-V61 HydrophobicContact CD1-CG1 4.05Å; V56-V61 HydrophobicContact CG2-CG1 3.77Å; V56-V61 HydrophobicContact CG2-CG2 4.09Å; Y58-V61 PolarHBondContact O-N 3.1Å; Y58-V61 VanDerWaalsContact O-N 3.14Å; T59-V61 VanDerWaalsContact C-N 3.34Å; V61-E63 PolarHBondContact O-N 3.32Å; V61-H64 WeakPolarHBondContact O-CB 3.38Å; V61-H64 PolarHBondContact O-N 2.85Å; V61-V65 PolarHBondContact O-N 2.82Å; V61-V65 VanDerWaalsContact O-N 3.16Å; V61-L184 HydrophobicContact CG2-CB 4.43Å; V61-L184 HydrophobicContact CG2-CD1 4.4Å; V61-L184 HydrophobicContact CG2-CD2 4Å; V61-V256 HydrophobicContact CG1-CG1 4.14Å; V61-Y259 HydrophobicContact CB-CD1 4.23Å; V61-Y259 HydrophobicContact CB-CE1 4.24Å; V61-Y259 HydrophobicContact CG1-CD1 4.01Å; V61-Y259 HydrophobicContact CG1-CE1 4.46Å; V61-I260 HydrophobicContact CG1-CG1 4.47Å
62	W	95.1	Very high	93.6	Very high	29 Å²	29	32.8 Å²	32.8	11%	0.11	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-61.9	-38.6	-166.7	179.7	-118.3	0	0	0	113.5	Y58 H64 V65 K70 L184 Y187 L188	Y58-W62 HydrophobicContact CD2-CB 3.95Å; Y58-W62 HydrophobicContact CD2-CG 4.3Å; Y58-W62 WeakPolarHBondContact O-CB 3.2Å; Y58-W62 PolarHBondContact O-N 3.41Å; W62-H64 PolarHBondContact O-N 2.69Å; W62-V65 HydrophobicContact CE3-CB 4.11Å; W62-V65 HydrophobicContact CE3-CG1 4.41Å; W62-V65 HydrophobicContact CE3-CG2 3.99Å; W62-V65 HydrophobicContact CZ3-CB 4.41Å; W62-V65 HydrophobicContact CZ3-CG1 4.21Å; W62-V65 WeakPolarHBondContact O-CB 3.35Å; W62-V65 PolarHBondContact O-N 2.76Å; W62-V65 VanDerWaalsContact O-N 3.16Å; W62-K70 HydrophobicContact CH2-CD 4.31Å; W62-K70 HydrophobicContact CH2-CG 3.77Å; W62-K70 HydrophobicContact CZ2-CD 4.02Å; W62-K70 HydrophobicContact CZ2-CG 3.96Å; W62-K70 HydrophobicContact CZ3-CG 4.27Å; W62-K70 WeakPolarHBondContact O-CE 3.46Å; W62-K70 PolarHBondContact O-NZ 2.81Å; W62-L184 HydrophobicContact CE3-CD1 3.95Å; W62-Y187 AromaticContact CD1-CE1 3.91Å; W62-Y187 HydrophobicContact CD2-CD1 4.37Å; W62-Y187 AromaticContact CD2-CE1 3.67Å; W62-Y187 HydrophobicContact CD2-CE1 3.67Å; W62-Y187 AromaticContact CE2-CE1 3.54Å; W62-Y187 HydrophobicContact CE3-CE1 4.19Å; W62-Y187 AromaticContact CG-CE1 3.91Å; W62-Y187 HydrophobicContact CG-CE1 3.91Å; W62-Y187 HydrophobicContact CH2-CE1 4.44Å; W62-Y187 AromaticContact CZ2-CE1 3.96Å; W62-Y187 HydrophobicContact CZ2-CE1 3.96Å; W62-Y187 AromaticContact NE1-CE1 3.67Å; W62-Y187 AromaticContact NE1-CZ 3.83Å; W62-Y187 PolarHBondContact NE1-OH 3.42Å; W62-L188 HydrophobicContact CH2-CD2 4.08Å; W62-L188 HydrophobicContact CZ3-CD2 3.82Å
63	E	93.4	Very high	93.7	Very high	136 Å²	136	32.9 Å²	32.9	64%	0.636	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-61.4	-31.5	177.5	-65	-165.1	155	0	0	112.5	G18 V61	G18-E63 PolarHBondContact N-O 3.46Å; G18-E63 VanDerWaalsContact N-O 3.11Å; V61-E63 PolarHBondContact O-N 3.32Å
64	H	91.8	Very high	93.9	Very high	54 Å²	54	36.3 Å²	36.3	25%	0.25	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-89.3	-9.9	179.8	-56.6	103	0	0	0	113.8	V61 W62 N66 I260	V61-H64 WeakPolarHBondContact O-CB 3.38Å; V61-H64 PolarHBondContact O-N 2.85Å; W62-H64 PolarHBondContact O-N 2.69Å; H64-N66 PolarHBondContact O-N 3.3Å; H64-I260 HydrophobicContact CB-CB 4.46Å; H64-I260 HydrophobicContact CB-CG1 4.13Å; H64-I260 HydrophobicContact CB-CG2 3.91Å
65	V	91.9	Very high	94.1	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.042	22%	0.219	C	C	.	.	S	Bend	trans	-62.7	133.2	174	173.2	0	0	0	0	109.4	F51 V61 W62 A69 K70	F51-V65 HydrophobicContact CE2-CG1 4.03Å; F51-V65 HydrophobicContact CZ-CG1 3.83Å; F51-V65 HydrophobicContact CZ-CG2 4.17Å; V61-V65 PolarHBondContact O-N 2.82Å; V61-V65 VanDerWaalsContact O-N 3.16Å; W62-V65 HydrophobicContact CE3-CB 4.11Å; W62-V65 HydrophobicContact CE3-CG1 4.41Å; W62-V65 HydrophobicContact CE3-CG2 3.99Å; W62-V65 HydrophobicContact CZ3-CB 4.41Å; W62-V65 HydrophobicContact CZ3-CG1 4.21Å; W62-V65 WeakPolarHBondContact O-CB 3.35Å; W62-V65 PolarHBondContact O-N 2.76Å; W62-V65 VanDerWaalsContact O-N 3.16Å; V65-A69 HydrophobicContact CG1-CB 4Å; V65-K70 HydrophobicContact CG1-CG 4.15Å; V65-K70 VanDerWaalsContact O-CE 3.28Å; V65-K70 WeakPolarHBondContact O-CE 3.22Å
66	N	89.8	Confident	94.5	Very high	28 Å²	28	42.4 Å²	42.4	15%	0.15	21%	0.206	C	C	.	.			trans	-56	133.7	-174.4	-164.9	-68.6	0	0	0	112.1	H64 V68 A69 K70 T379	H64-N66 PolarHBondContact O-N 3.3Å; N66-V68 PolarHBondContact O-N 3.36Å; N66-V68 VanDerWaalsContact O-N 3.11Å; N66-V68 VanDerWaalsContact OD1-CB 3.26Å; N66-V68 WeakPolarHBondContact OD1-CB 2.94Å; N66-V68 WeakPolarHBondContact OD1-CG2 3.35Å; N66-V68 PolarHBondContact OD1-N 3.06Å; N66-A69 HydrophobicContact CB-CB 4.31Å; N66-A69 WeakPolarHBondContact O-CA 3.22Å; N66-A69 WeakPolarHBondContact O-CB 3.46Å; N66-A69 PolarHBondContact O-N 3.24Å; N66-K70 PolarHBondContact O-N 2.9Å; N66-K70 VanDerWaalsContact O-N 3.11Å; N66-T379 WeakPolarHBondContact ND2-CG2 3.48Å; N66-T379 PolarHBondContact ND2-OG1 3.18Å
67	P	90.9	Very high	94.8	Very high	39 Å²	39	45.7 Å²	45.7	25%	0.253	22%	0.223	S	C	.	.	H	α-helix	trans	-55.3	-31.4	176.7	-29.1	37.2	0	0	0	113.9	A69 K70 A71	P67-A69 VanDerWaalsContact C-N 3.34Å; P67-K70 PolarHBondContact O-N 2.81Å; P67-A71 VanDerWaalsContact O-CB 3.31Å; P67-A71 WeakPolarHBondContact O-CB 3.36Å; P67-A71 PolarHBondContact O-N 3.05Å
68	V	92	Very high	95.1	Very high	67 Å²	67	45.4 Å²	45.4	41%	0.406	22%	0.221	S	C	.	.	H	α-helix	trans	-66.9	-36.3	175.9	-177.5	0	0	0	0	111.4	L39 N66 A72 V377 T379	L39-V68 HydrophobicContact CD2-CG1 4.14Å; N66-V68 PolarHBondContact O-N 3.36Å; N66-V68 VanDerWaalsContact O-N 3.11Å; N66-V68 VanDerWaalsContact OD1-CB 3.26Å; N66-V68 WeakPolarHBondContact OD1-CB 2.94Å; N66-V68 WeakPolarHBondContact OD1-CG2 3.35Å; N66-V68 PolarHBondContact OD1-N 3.06Å; V68-A72 VanDerWaalsContact O-CB 3.31Å; V68-A72 WeakPolarHBondContact O-CB 3.4Å; V68-A72 PolarHBondContact O-N 3.38Å; V68-V377 HydrophobicContact CG1-CG1 3.83Å; V68-T379 HydrophobicContact CG2-CG2 4.13Å
69	A	95.2	Very high	95.2	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-68.9	-44	174.9	0	0	0	0	0	111.2	L39 F51 V65 N66 P67 A71 A72 F73	L39-A69 HydrophobicContact CB-CB 4.28Å; L39-A69 HydrophobicContact CD1-CB 4.12Å; L39-A69 HydrophobicContact CD2-CB 4.06Å; L39-A69 HydrophobicContact CG-CB 4.39Å; F51-A69 HydrophobicContact CD2-CB 4.13Å; F51-A69 HydrophobicContact CE2-CB 4Å; V65-A69 HydrophobicContact CG1-CB 4Å; N66-A69 HydrophobicContact CB-CB 4.31Å; N66-A69 WeakPolarHBondContact O-CA 3.22Å; N66-A69 WeakPolarHBondContact O-CB 3.46Å; N66-A69 PolarHBondContact O-N 3.24Å; P67-A69 VanDerWaalsContact C-N 3.34Å; A69-A71 PolarHBondContact O-N 3.13Å; A69-A72 PolarHBondContact O-N 2.65Å; A69-F73 PolarHBondContact O-N 2.91Å
70	K	96.3	Very high	95.4	Very high	31 Å²	31	40.5 Å²	40.5	14%	0.135	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-46.5	173.4	-61.2	-177.8	178	174.8	0	111.4	W62 V65 N66 P67 A72 F73 Y74	W62-K70 HydrophobicContact CH2-CD 4.31Å; W62-K70 HydrophobicContact CH2-CG 3.77Å; W62-K70 HydrophobicContact CZ2-CD 4.02Å; W62-K70 HydrophobicContact CZ2-CG 3.96Å; W62-K70 HydrophobicContact CZ3-CG 4.27Å; W62-K70 WeakPolarHBondContact O-CE 3.46Å; W62-K70 PolarHBondContact O-NZ 2.81Å; V65-K70 HydrophobicContact CG1-CG 4.15Å; V65-K70 VanDerWaalsContact O-CE 3.28Å; V65-K70 WeakPolarHBondContact O-CE 3.22Å; N66-K70 PolarHBondContact O-N 2.9Å; N66-K70 VanDerWaalsContact O-N 3.11Å; P67-K70 PolarHBondContact O-N 2.81Å; K70-A72 PolarHBondContact O-N 3.4Å; K70-F73 WeakPolarHBondContact O-CB 3.26Å; K70-F73 PolarHBondContact O-N 3.05Å; K70-Y74 WeakPolarHBondContact O-CD2 3.2Å; K70-Y74 PolarHBondContact O-N 3.38Å; K70-Y74 VanDerWaalsContact O-N 3.12Å
71	A	95.9	Very high	95.6	Very high	26 Å²	26	38.9 Å²	38.9	22%	0.215	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-37	177.4	0	0	0	0	0	112.7	P67 A69 F73 R75	P67-A71 VanDerWaalsContact O-CB 3.31Å; P67-A71 WeakPolarHBondContact O-CB 3.36Å; P67-A71 PolarHBondContact O-N 3.05Å; A69-A71 PolarHBondContact O-N 3.13Å; A71-F73 VanDerWaalsContact C-N 3.35Å; A71-R75 VanDerWaalsContact O-CB 3.31Å; A71-R75 WeakPolarHBondContact O-CB 3.42Å; A71-R75 WeakPolarHBondContact O-CD 3.17Å; A71-R75 WeakPolarHBondContact O-CG 2.98Å; A71-R75 PolarHBondContact O-N 3.23Å; A71-R75 VanDerWaalsContact O-N 3.17Å
72	A	97.1	Very high	95.8	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.041	19%	0.189	C	C	.	.	H	α-helix	trans	-65.6	-38.2	175.1	0	0	0	0	0	112	L39 Y49 V68 A69 K70 A76 F349	L39-A72 HydrophobicContact CD1-CB 4.42Å; L39-A72 HydrophobicContact CD2-CB 4.28Å; Y49-A72 HydrophobicContact CD1-CB 3.97Å; Y49-A72 HydrophobicContact CD2-CB 3.95Å; Y49-A72 HydrophobicContact CE1-CB 3.97Å; Y49-A72 HydrophobicContact CE2-CB 3.99Å; Y49-A72 HydrophobicContact CG-CB 3.95Å; V68-A72 VanDerWaalsContact O-CB 3.31Å; V68-A72 WeakPolarHBondContact O-CB 3.4Å; V68-A72 PolarHBondContact O-N 3.38Å; A69-A72 PolarHBondContact O-N 2.65Å; K70-A72 PolarHBondContact O-N 3.4Å; A72-A76 PolarHBondContact O-N 3.3Å; A72-F349 HydrophobicContact CB-CD2 4.26Å; A72-F349 HydrophobicContact CB-CE2 4.1Å
73	F	98.4	Very high	95.9	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-59.9	-56.3	174.3	174.7	-90.7	0	0	0	111.4	A69 K70 A71 R75 A76 V79 L188 Q191 A192 I197 F349	A69-F73 PolarHBondContact O-N 2.91Å; K70-F73 WeakPolarHBondContact O-CB 3.26Å; K70-F73 PolarHBondContact O-N 3.05Å; A71-F73 VanDerWaalsContact C-N 3.35Å; F73-R75 PolarHBondContact O-N 2.85Å; F73-A76 PolarHBondContact O-N 2.98Å; F73-V79 HydrophobicContact CD2-CG2 3.95Å; F73-V79 HydrophobicContact CE2-CB 4.45Å; F73-V79 HydrophobicContact CE2-CG1 3.97Å; F73-V79 HydrophobicContact CE2-CG2 3.62Å; F73-V79 HydrophobicContact CZ-CG2 4.18Å; F73-L188 HydrophobicContact CD2-CD2 4.09Å; F73-L188 HydrophobicContact CE2-CB 4.25Å; F73-L188 HydrophobicContact CE2-CD2 3.89Å; F73-L188 HydrophobicContact CZ-CD2 4.34Å; F73-L188 WeakPolarHBondContact CZ-O 3.48Å; F73-Q191 HydrophobicContact CE1-CB 3.77Å; F73-Q191 HydrophobicContact CZ-CB 3.83Å; F73-A192 HydrophobicContact CZ-CB 3.99Å; F73-I197 HydrophobicContact CE1-CD1 4.32Å; F73-F349 VanDerWaalsContact CA-CD2 3.5Å; F73-F349 HydrophobicContact CB-CD2 4.05Å; F73-F349 HydrophobicContact CB-CE1 4.31Å; F73-F349 HydrophobicContact CB-CE2 3.81Å; F73-F349 HydrophobicContact CB-CG 4.38Å; F73-F349 HydrophobicContact CB-CZ 3.93Å; F73-F349 AromaticContact CD2-CD1 3.76Å; F73-F349 HydrophobicContact CD2-CD1 3.76Å; F73-F349 AromaticContact CD2-CE1 3.77Å; F73-F349 HydrophobicContact CD2-CE1 3.77Å; F73-F349 HydrophobicContact CD2-CG 4.22Å; F73-F349 HydrophobicContact CD2-CZ 4.25Å
74	Y	97.9	Very high	96.1	Very high	73 Å²	73	33.8 Å²	33.8	29%	0.286	17%	0.166	S	C	.	.	H	α-helix	trans	-70.6	-14.8	-176.2	-68.2	-65.3	0	0	0	114.7	L14 K70 Q191 S195 I197	L14-Y74 HydrophobicContact CD2-CD2 3.63Å; L14-Y74 HydrophobicContact CD2-CE2 3.94Å; K70-Y74 WeakPolarHBondContact O-CD2 3.2Å; K70-Y74 PolarHBondContact O-N 3.38Å; K70-Y74 VanDerWaalsContact O-N 3.12Å; Y74-Q191 PolarHBondContact OH-OE1 3.36Å; Y74-S195 WeakPolarHBondContact CE1-OG 3.39Å; Y74-I197 HydrophobicContact CD1-CD1 4.49Å
75	R	97.3	Very high	96.1	Very high	192 Å²	192	33.2 Å²	33.2	73%	0.725	17%	0.165	S	C	*	.	H	α-helix	trans	-94.7	-9.6	176.8	-72.3	177.1	-176.9	177.7	1.3	113.8	A71 F73	A71-R75 VanDerWaalsContact O-CB 3.31Å; A71-R75 WeakPolarHBondContact O-CB 3.42Å; A71-R75 WeakPolarHBondContact O-CD 3.17Å; A71-R75 WeakPolarHBondContact O-CG 2.98Å; A71-R75 PolarHBondContact O-N 3.23Å; A71-R75 VanDerWaalsContact O-N 3.17Å; F73-R75 PolarHBondContact O-N 2.85Å
76	A	98.4	Very high	96.2	Very high	7 Å²	7	35.6 Å²	35.6	6%	0.058	18%	0.177	C	C	.	.			trans	-75.5	141.2	-177.9	0	0	0	0	0	111	A72 F73 N78 S347 F349	A72-A76 PolarHBondContact O-N 3.3Å; F73-A76 PolarHBondContact O-N 2.98Å; A76-N78 PolarHBondContact O-N 3.01Å; A76-S347 WeakPolarHBondContact CA-OG 3.33Å; A76-F349 HydrophobicContact CB-CB 3.69Å
77	D	98.6	Very high	96.5	Very high	74 Å²	74	37.1 Å²	37.1	40%	0.396	19%	0.186	S	C	.	.	S	Bend	trans	-70.5	-22.7	177	-58.3	-60.7	0	0	0	112	P198 K346 S347	D77-P198 WeakPolarHBondContact O-CD 3.42Å; D77-K346 HydrophobicContact CB-CB 4.44Å; D77-S347 PolarHBondContact N-O 3.3Å; D77-S347 PolarHBondContact N-OG 3.4Å; D77-S347 WeakPolarHBondContact OD2-CB 3.17Å; D77-S347 PolarHBondContact OD2-N 2.9Å; D77-S347 PolarHBondContact OD2-OG 3.31Å
78	N	98.7	Very high	96.7	Very high	14 Å²	14	40 Å²	40	8%	0.075	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	143.5	-179.6	-45.4	-103.9	0	0	0	109.6	A76 F80 P198 S347 F348 F349	A76-N78 PolarHBondContact O-N 3.01Å; N78-F80 HydrophobicContact CB-CD2 4.29Å; N78-F80 HydrophobicContact CB-CE2 3.97Å; N78-P198 WeakPolarHBondContact CA-O 3.11Å; N78-S347 PolarHBondContact N-O 3.48Å; N78-S347 PolarHBondContact ND2-O 2.94Å; N78-F348 HydrophobicContact CB-CD1 3.86Å; N78-F348 HydrophobicContact CB-CE1 4.02Å; N78-F348 CarbonylContact O-C 3.47Å; N78-F348 WeakPolarHBondContact O-CA 3.32Å; N78-F349 PolarHBondContact O-N 3.43Å
79	V	98.7	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.9	171.9	169.7	0	0	0	0	108.6	F73 L81 A192 I197 P198 L199 G200 F349	F73-V79 HydrophobicContact CD2-CG2 3.95Å; F73-V79 HydrophobicContact CE2-CB 4.45Å; F73-V79 HydrophobicContact CE2-CG1 3.97Å; F73-V79 HydrophobicContact CE2-CG2 3.62Å; F73-V79 HydrophobicContact CZ-CG2 4.18Å; V79-L81 HydrophobicContact CG1-CD2 4.12Å; V79-L81 HydrophobicContact CG1-CG 4.34Å; V79-A192 HydrophobicContact CB-CB 4.15Å; V79-A192 HydrophobicContact CG1-CB 4.35Å; V79-A192 HydrophobicContact CG2-CB 4.24Å; V79-I197 HydrophobicContact CB-CG2 4.3Å; V79-I197 HydrophobicContact CG2-CG2 3.74Å; V79-P198 PolarHBondContact N-O 3.39Å; V79-L199 HydrophobicContact CB-CD1 4.21Å; V79-L199 HydrophobicContact CG1-CD1 3.81Å; V79-L199 CarbonylContact O-C 3.56Å; V79-L199 WeakPolarHBondContact O-CA 3.46Å; V79-G200 PolarHBondContact O-N 3.34Å; V79-F349 CarbonylContact C-O 3.57Å; V79-F349 WeakPolarHBondContact CA-O 3.47Å; V79-F349 HydrophobicContact CG2-CB 4.15Å
80	F	98.7	Very high	97	Very high	29 Å²	29	44.6 Å²	44.6	13%	0.127	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.3	174.9	-84.5	-97	0	0	0	109.5	N78 G200 I202 L339 F348 F349 F350 A351	N78-F80 HydrophobicContact CB-CD2 4.29Å; N78-F80 HydrophobicContact CB-CE2 3.97Å; F80-G200 WeakPolarHBondContact CA-O 3.28Å; F80-I202 HydrophobicContact CB-CD1 4.3Å; F80-I202 HydrophobicContact CB-CG1 3.99Å; F80-I202 HydrophobicContact CD1-CD1 3.75Å; F80-I202 HydrophobicContact CD1-CG1 4Å; F80-I202 HydrophobicContact CE1-CD1 4.49Å; F80-I202 HydrophobicContact CG-CD1 4.27Å; F80-I202 HydrophobicContact CG-CG1 4.41Å; F80-L339 HydrophobicContact CD1-CD1 3.77Å; F80-L339 HydrophobicContact CD2-CD1 4.37Å; F80-L339 HydrophobicContact CE1-CD1 3.52Å; F80-L339 HydrophobicContact CE1-CD2 4.12Å; F80-L339 HydrophobicContact CE1-CG 4.49Å; F80-L339 HydrophobicContact CE2-CD1 4.16Å; F80-L339 HydrophobicContact CE2-CD2 4.49Å; F80-L339 HydrophobicContact CG-CD1 4.18Å; F80-L339 HydrophobicContact CZ-CD1 3.73Å; F80-L339 HydrophobicContact CZ-CD2 3.77Å; F80-L339 HydrophobicContact CZ-CG 4.41Å; F80-F348 AromaticContact CD2-CD1 3.79Å; F80-F348 HydrophobicContact CD2-CD1 3.79Å; F80-F348 HydrophobicContact CD2-CE1 4.3Å; F80-F348 AromaticContact CE2-CD1 3.69Å; F80-F348 HydrophobicContact CE2-CD1 3.69Å; F80-F348 AromaticContact CE2-CE1 3.72Å; F80-F348 HydrophobicContact CE2-CE1 3.72Å; F80-F349 PolarHBondContact N-O 3.37Å; F80-F350 HydrophobicContact CB-CD1 3.48Å; F80-F350 VanDerWaalsContact CB-CD1 3.48Å; F80-F350 HydrophobicContact CB-CE1 3.79Å; F80-F350 HydrophobicContact CD2-CE1 4.14Å; F80-F350 HydrophobicContact CG-CD1 4.19Å; F80-F350 AromaticContact CG-CE1 3.97Å; F80-F350 HydrophobicContact CG-CE1 3.97Å; F80-F350 CarbonylContact O-C 3.24Å; F80-F350 VanDerWaalsContact O-CA 3.29Å; F80-F350 WeakPolarHBondContact O-CA 3.13Å; F80-A351 PolarHBondContact O-N 2.75Å
81	L	98.4	Very high	97	Very high	2 Å²	2	46 Å²	46	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	173.3	173.4	-57.5	-179.9	0	0	0	109.9	V79 L83 D185 L188 A189 L199 G200 A201 I202 A351	V79-L81 HydrophobicContact CG1-CD2 4.12Å; V79-L81 HydrophobicContact CG1-CG 4.34Å; L81-L83 VanDerWaalsContact C-N 3.27Å; L81-L83 VanDerWaalsContact CB-O 3.31Å; L81-L83 WeakPolarHBondContact CB-O 3.23Å; L81-D185 WeakPolarHBondContact CD1-O 3.21Å; L81-L188 HydrophobicContact CD2-CB 4.27Å; L81-A189 HydrophobicContact CD1-CB 3.53Å; L81-L199 HydrophobicContact CD1-CD1 4.05Å; L81-L199 HydrophobicContact CG-CD1 4Å; L81-G200 PolarHBondContact N-O 3.41Å; L81-A201 WeakPolarHBondContact O-CA 3.39Å; L81-I202 PolarHBondContact O-N 3.13Å; L81-A351 WeakPolarHBondContact CA-O 3.39Å; L81-A351 HydrophobicContact CD2-CB 3.59Å
82	E	97.6	Very high	97	Very high	9 Å²	9	50.1 Å²	50.1	4%	0.042	25%	0.246	C	C	.	.	S	Bend	trans	-59.2	-45.4	168	-60.2	-170	173.7	0	0	110.5	I202 E203 Q208 R328 M332 F352 G353 H356	E82-I202 PolarHBondContact O-N 3.01Å; E82-E203 WeakPolarHBondContact O-CA 3.47Å; E82-E203 WeakPolarHBondContact O-CB 3.41Å; E82-E203 PolarHBondContact O-N 3.46Å; E82-Q208 PolarHBondContact OE2-NE2 3.38Å; E82-R328 VanDerWaalsContact CD-NH2 3.33Å; E82-R328 IonicContact OE1-NH2 3.26Å; E82-R328 IonicContact OE2-CZ 2.6Å; E82-R328 IonicContact OE2-NH2 3.31Å; E82-R328 PolarHBondContact OE2-NH2 3.02Å; E82-M332 HydrophobicContact CG-CE 4.07Å; E82-F352 HydrophobicContact CG-CB 3.9Å; E82-F352 HydrophobicContact CG-CD1 3.73Å; E82-F352 HydrophobicContact CG-CG 4.16Å; E82-F352 WeakPolarHBondContact OE1-CA 3.3Å; E82-F352 WeakPolarHBondContact OE1-CB 3.46Å; E82-G353 PolarHBondContact OE1-N 2.96Å; E82-H356 IonicContact OE1-CD2 3.01Å; E82-H356 PolarHBondContact OE1-CD2 3.22Å; E82-H356 IonicContact OE1-NE2 2.98Å
83	L	97.7	Very high	97	Very high	18 Å²	18	52.2 Å²	52.2	9%	0.094	26%	0.26	C	S	.	.	S	Bend	trans	-135.6	146.8	177.1	-69.9	171	0	0	0	110.2	L81 L85 T90 L94 P205 Q208	L81-L83 VanDerWaalsContact C-N 3.27Å; L81-L83 VanDerWaalsContact CB-O 3.31Å; L81-L83 WeakPolarHBondContact CB-O 3.23Å; L83-L85 HydrophobicContact CB-CD2 4.08Å; L83-L85 HydrophobicContact CB-CG 4.35Å; L83-L85 HydrophobicContact CD1-CD2 4.27Å; L83-L85 PolarHBondContact O-N 2.95Å; L83-T90 HydrophobicContact CB-CG2 4.19Å; L83-T90 HydrophobicContact CD2-CG2 4.17Å; L83-L94 HydrophobicContact CD1-CD1 3.88Å; L83-L94 HydrophobicContact CD1-CD2 4.07Å; L83-L94 HydrophobicContact CD1-CG 4.48Å; L83-P205 HydrophobicContact CD2-CG 4.35Å; L83-Q208 HydrophobicContact CD1-CG 3.81Å; L83-Q208 HydrophobicContact CD2-CG 4.14Å; L83-Q208 HydrophobicContact CG-CG 4.11Å
84	D	95.8	Very high	96.8	Very high	31 Å²	31	53.7 Å²	53.7	17%	0.166	27%	0.268	C	S	.	.			trans	-84.3	89.2	167.5	179.3	4.3	0	0	0	109.5	N86 N87 T90 L199 A201	D84-N86 PolarHBondContact O-N 3.46Å; D84-N86 WeakPolarHBondContact OD1-CB 3.49Å; D84-N86 PolarHBondContact OD1-N 3.12Å; D84-N87 HydrophobicContact CB-CB 4.36Å; D84-N87 PolarHBondContact O-N 3.23Å; D84-N87 PolarHBondContact OD1-N 3.27Å; D84-N87 WeakPolarHBondContact OD2-CB 3.31Å; D84-T90 WeakPolarHBondContact O-CB 3.39Å; D84-T90 WeakPolarHBondContact O-CG2 3.32Å; D84-T90 PolarHBondContact O-OG1 3.48Å; D84-L199 HydrophobicContact CB-CD2 4.42Å; D84-L199 VanDerWaalsContact OD1-CD2 3.23Å; D84-L199 WeakPolarHBondContact OD1-CD2 3.43Å; D84-A201 HydrophobicContact CB-CB 4.26Å
85	L	93.6	Very high	96.6	Very high	42 Å²	42	53.2 Å²	53.2	22%	0.22	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-10.1	177.5	-60.5	179.1	0	0	0	113.3	L83 N87 V91 L94 D185 L186	L83-L85 HydrophobicContact CB-CD2 4.08Å; L83-L85 HydrophobicContact CB-CG 4.35Å; L83-L85 HydrophobicContact CD1-CD2 4.27Å; L83-L85 PolarHBondContact O-N 2.95Å; L85-N87 VanDerWaalsContact C-N 3.28Å; L85-V91 WeakPolarHBondContact O-CG2 3.4Å; L85-L94 HydrophobicContact CD2-CD1 3.81Å; L85-D185 HydrophobicContact CD1-CB 4.37Å; L85-L186 HydrophobicContact CB-CB 4.36Å; L85-L186 HydrophobicContact CB-CD1 3.81Å; L85-L186 HydrophobicContact CD1-CB 4.26Å
86	N	93.1	Very high	96.5	Very high	57 Å²	57	49.4 Å²	49.4	31%	0.305	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-15.8	173.4	-165.5	57.5	0	0	0	111.5	D84 P88 A189 L199	D84-N86 PolarHBondContact O-N 3.46Å; D84-N86 WeakPolarHBondContact OD1-CB 3.49Å; D84-N86 PolarHBondContact OD1-N 3.12Å; N86-P88 WeakPolarHBondContact O-CD 3.29Å; N86-A189 HydrophobicContact CB-CB 3.98Å; N86-L199 HydrophobicContact CB-CD2 4.43Å
87	N	95.4	Very high	96.4	Very high	60 Å²	60	50.2 Å²	50.2	32%	0.321	27%	0.267	S	S	.	.	S	Bend	trans	-83.8	117.1	173.2	-179.5	-9.9	0	0	0	111.3	D84 L85 K89 T90 V91	D84-N87 HydrophobicContact CB-CB 4.36Å; D84-N87 PolarHBondContact O-N 3.23Å; D84-N87 PolarHBondContact OD1-N 3.27Å; D84-N87 WeakPolarHBondContact OD2-CB 3.31Å; L85-N87 VanDerWaalsContact C-N 3.28Å; N87-K89 PolarHBondContact O-N 2.84Å; N87-K89 VanDerWaalsContact O-N 3.13Å; N87-K89 WeakPolarHBondContact OD1-CB 3.32Å; N87-K89 PolarHBondContact OD1-N 3.07Å; N87-T90 WeakPolarHBondContact O-CB 3.31Å; N87-T90 PolarHBondContact O-N 2.91Å; N87-V91 PolarHBondContact O-N 2.72Å
88	P	95.9	Very high	96.2	Very high	99 Å²	99	48.9 Å²	48.9	64%	0.643	26%	0.259	S	S	*	.	H	α-helix	trans	-57.8	-30.2	-179.8	-25.8	35.2	0	0	0	114	N86 V91 Q92	N86-P88 WeakPolarHBondContact O-CD 3.29Å; P88-V91 PolarHBondContact O-N 3.01Å; P88-Q92 WeakPolarHBondContact O-CB 3.45Å; P88-Q92 PolarHBondContact O-N 2.85Å
89	K	97.5	Very high	96.1	Very high	151 Å²	151	51.5 Å²	51.5	66%	0.657	27%	0.268	S	S	*	.	H	α-helix	trans	-66.7	-39.6	177.6	-65.2	-176.3	177.7	-179.9	0	111.6	N87 Q92 S93	N87-K89 PolarHBondContact O-N 2.84Å; N87-K89 VanDerWaalsContact O-N 3.13Å; N87-K89 WeakPolarHBondContact OD1-CB 3.32Å; N87-K89 PolarHBondContact OD1-N 3.07Å; K89-Q92 PolarHBondContact O-N 2.83Å; K89-S93 PolarHBondContact O-N 2.78Å; K89-S93 PolarHBondContact O-OG 2.85Å; K89-S93 VanDerWaalsContact O-OG 3.1Å
90	T	96.8	Very high	96.1	Very high	15 Å²	15	52 Å²	52	9%	0.092	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-49.5	175.7	-51.6	0	0	0	0	110.1	L83 D84 N87 Q92 S93 L94 P205	L83-T90 HydrophobicContact CB-CG2 4.19Å; L83-T90 HydrophobicContact CD2-CG2 4.17Å; D84-T90 WeakPolarHBondContact O-CB 3.39Å; D84-T90 WeakPolarHBondContact O-CG2 3.32Å; D84-T90 PolarHBondContact O-OG1 3.48Å; N87-T90 WeakPolarHBondContact O-CB 3.31Å; N87-T90 PolarHBondContact O-N 2.91Å; T90-Q92 PolarHBondContact O-N 2.85Å; T90-S93 PolarHBondContact O-N 3.3Å; T90-L94 HydrophobicContact CG2-CD1 4.46Å; T90-L94 WeakPolarHBondContact O-CG 3.47Å; T90-L94 PolarHBondContact O-N 2.87Å; T90-P205 HydrophobicContact CG2-CG 3.73Å
91	V	94.6	Very high	95.9	Very high	61 Å²	61	53.2 Å²	53.2	37%	0.37	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-45.4	179	179.2	0	0	0	0	110.7	L85 N87 P88 S93 L94 V95	L85-V91 WeakPolarHBondContact O-CG2 3.4Å; N87-V91 PolarHBondContact O-N 2.72Å; P88-V91 PolarHBondContact O-N 3.01Å; V91-S93 PolarHBondContact O-N 2.72Å; V91-L94 PolarHBondContact O-N 2.79Å; V91-V95 HydrophobicContact CG1-CG2 4.41Å; V91-V95 WeakPolarHBondContact O-CG2 3.48Å; V91-V95 PolarHBondContact O-N 2.99Å
92	Q	96.4	Very high	95.7	Very high	113 Å²	113	60.9 Å²	60.9	53%	0.528	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-44.9	177.2	-174.6	179.3	37.5	0	0	112	P88 K89 T90 L94 V95 Q96	P88-Q92 WeakPolarHBondContact O-CB 3.45Å; P88-Q92 PolarHBondContact O-N 2.85Å; K89-Q92 PolarHBondContact O-N 2.83Å; T90-Q92 PolarHBondContact O-N 2.85Å; Q92-L94 PolarHBondContact O-N 2.79Å; Q92-V95 PolarHBondContact O-N 2.93Å; Q92-Q96 HydrophobicContact CG-CG 4.45Å; Q92-Q96 WeakPolarHBondContact O-CB 3.23Å; Q92-Q96 VanDerWaalsContact O-CG 3.27Å; Q92-Q96 WeakPolarHBondContact O-CG 3.19Å; Q92-Q96 PolarHBondContact O-N 2.66Å
93	S	97.3	Very high	95.6	Very high	48 Å²	48	63.7 Å²	63.7	34%	0.336	35%	0.354	S	S	.	.	H	α-helix	trans	-63.8	-39.1	177.5	-63.6	0	0	0	0	112.7	K89 T90 V91 Q96 C97	K89-S93 PolarHBondContact O-N 2.78Å; K89-S93 PolarHBondContact O-OG 2.85Å; K89-S93 VanDerWaalsContact O-OG 3.1Å; T90-S93 PolarHBondContact O-N 3.3Å; V91-S93 PolarHBondContact O-N 2.72Å; S93-Q96 PolarHBondContact O-N 2.84Å; S93-C97 WeakPolarHBondContact O-CB 3.33Å; S93-C97 PolarHBondContact O-N 2.77Å
94	L	95.1	Very high	95.6	Very high	33 Å²	33	66.2 Å²	66.2	17%	0.173	37%	0.365	C	S	.	.	H	α-helix	trans	-64.5	-42.2	173.7	-69.4	170.5	0	0	0	111.4	L83 L85 T90 V91 Q92 C97 Q98 P205 Q208	L83-L94 HydrophobicContact CD1-CD1 3.88Å; L83-L94 HydrophobicContact CD1-CD2 4.07Å; L83-L94 HydrophobicContact CD1-CG 4.48Å; L85-L94 HydrophobicContact CD2-CD1 3.81Å; T90-L94 HydrophobicContact CG2-CD1 4.46Å; T90-L94 WeakPolarHBondContact O-CG 3.47Å; T90-L94 PolarHBondContact O-N 2.87Å; V91-L94 PolarHBondContact O-N 2.79Å; Q92-L94 PolarHBondContact O-N 2.79Å; L94-C97 PolarHBondContact O-N 3Å; L94-C97 PolarHBondContact O-SG 3.13Å; L94-Q98 WeakPolarHBondContact O-CG 3.37Å; L94-P205 HydrophobicContact CD2-CB 3.93Å; L94-P205 HydrophobicContact CG-CB 4.1Å; L94-Q208 HydrophobicContact CD2-CB 4.37Å
95	V	93.8	Very high	95.7	Very high	62 Å²	62	68.9 Å²	68.9	38%	0.376	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-47.2	177.2	169.5	0	0	0	0	110.4	V91 Q92 C97 Q98 Y99	V91-V95 HydrophobicContact CG1-CG2 4.41Å; V91-V95 WeakPolarHBondContact O-CG2 3.48Å; V91-V95 PolarHBondContact O-N 2.99Å; Q92-V95 PolarHBondContact O-N 2.93Å; V95-C97 VanDerWaalsContact C-N 3.32Å; V95-C97 PolarHBondContact O-N 3.07Å; V95-Q98 WeakPolarHBondContact O-CB 3.49Å; V95-Q98 PolarHBondContact O-N 2.84Å; V95-Q98 VanDerWaalsContact O-N 3.13Å; V95-Y99 HydrophobicContact CG1-CD2 4.31Å; V95-Y99 HydrophobicContact CG1-CE2 3.69Å; V95-Y99 WeakPolarHBondContact O-CD2 3.19Å
96	Q	95.3	Very high	95.9	Very high	112 Å²	112	66.9 Å²	66.9	52%	0.523	37%	0.366	S	S	.	.	H	α-helix	trans	-59.4	-40.5	179.2	-75.5	170.3	-14.1	0	0	112.5	Q92 S93 Q98 Y99	Q92-Q96 HydrophobicContact CG-CG 4.45Å; Q92-Q96 WeakPolarHBondContact O-CB 3.23Å; Q92-Q96 VanDerWaalsContact O-CG 3.27Å; Q92-Q96 WeakPolarHBondContact O-CG 3.19Å; Q92-Q96 PolarHBondContact O-N 2.66Å; S93-Q96 PolarHBondContact O-N 2.84Å; Q96-Q98 PolarHBondContact O-N 3.33Å; Q96-Q98 VanDerWaalsContact O-N 3.15Å; Q96-Y99 PolarHBondContact O-N 3.43Å; Q96-Y99 VanDerWaalsContact O-N 3.11Å
97	C	95.4	Very high	96.1	Very high	24 Å²	24	67.1 Å²	67.1	16%	0.162	37%	0.37	C	S	.	.	H	α-helix	trans	-67.7	-14.9	-179.1	85.1	0	0	0	0	113.4	S93 L94 V95 C209 N213	S93-C97 WeakPolarHBondContact O-CB 3.33Å; S93-C97 PolarHBondContact O-N 2.77Å; L94-C97 PolarHBondContact O-N 3Å; L94-C97 PolarHBondContact O-SG 3.13Å; V95-C97 VanDerWaalsContact C-N 3.32Å; V95-C97 PolarHBondContact O-N 3.07Å; C97-C209 HydrophobicContact CB-CB 3.46Å; C97-C209 VanDerWaalsContact CB-CB 3.46Å; C97-C209 WeakPolarHBondContact CB-SG 3.39Å; C97-C209 WeakPolarHBondContact SG-CB 3.18Å; C97-C209 CovalentContact SG-SG 2.02Å; C97-C209 PolarHBondContact SG-SG 3.46Å; C97-N213 PolarHBondContact O-ND2 2.9Å
98	Q	95.3	Very high	96.2	Very high	46 Å²	46	69.1 Å²	69.1	22%	0.215	38%	0.38	C	S	.	.	H	α-helix	trans	-79	-22.9	175	-60.2	176.4	15.6	0	0	113.3	L94 V95 Q96 K159 R160 W163	L94-Q98 WeakPolarHBondContact O-CG 3.37Å; V95-Q98 WeakPolarHBondContact O-CB 3.49Å; V95-Q98 PolarHBondContact O-N 2.84Å; V95-Q98 VanDerWaalsContact O-N 3.13Å; Q96-Q98 PolarHBondContact O-N 3.33Å; Q96-Q98 VanDerWaalsContact O-N 3.15Å; Q98-K159 CarbonylContact O-C 3.51Å; Q98-K159 WeakPolarHBondContact O-CA 3.27Å; Q98-R160 WeakPolarHBondContact O-CG 3.27Å; Q98-R160 PolarHBondContact O-N 3.46Å; Q98-W163 VanDerWaalsContact CA-CD1 3.44Å; Q98-W163 HydrophobicContact CB-CB 4.36Å; Q98-W163 HydrophobicContact CB-CD2 4.06Å; Q98-W163 HydrophobicContact CB-CG 3.87Å; Q98-W163 HydrophobicContact CG-CD2 3.58Å; Q98-W163 HydrophobicContact CG-CE3 3.8Å; Q98-W163 HydrophobicContact CG-CG 3.94Å; Q98-W163 HydrophobicContact CG-CH2 4.23Å; Q98-W163 HydrophobicContact CG-CZ2 4.06Å; Q98-W163 HydrophobicContact CG-CZ3 4.12Å
99	Y	96.7	Very high	96.2	Very high	69 Å²	69	67.7 Å²	67.7	27%	0.271	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-85.3	151.3	-174.6	-74.7	-76.6	0	0	0	112.2	V95 Q96 N155 R158 K159 R160	V95-Y99 HydrophobicContact CG1-CD2 4.31Å; V95-Y99 HydrophobicContact CG1-CE2 3.69Å; V95-Y99 WeakPolarHBondContact O-CD2 3.19Å; Q96-Y99 PolarHBondContact O-N 3.43Å; Q96-Y99 VanDerWaalsContact O-N 3.11Å; Y99-N155 HydrophobicContact CE1-CB 4.31Å; Y99-R158 HydrophobicContact CD1-CB 3.64Å; Y99-R158 WeakPolarHBondContact CD1-O 3.4Å; Y99-R158 HydrophobicContact CE1-CB 3.82Å; Y99-K159 HydrophobicContact CD1-CG 4.48Å; Y99-K159 HydrophobicContact CE1-CG 4.28Å; Y99-R160 PolarHBondContact O-NE 3.37Å
100	L	97.1	Very high	96.1	Very high	10 Å²	10	61 Å²	61	5%	0.052	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-69.5	154.8	166.5	-70.8	165.4	0	0	0	110.7	E104 Q105 H109 R158 R160	L100-E104 HydrophobicContact CB-CB 4.14Å; L100-E104 WeakPolarHBondContact CB-O 3.27Å; L100-Q105 VanDerWaalsContact CD1-C 3.43Å; L100-H109 WeakPolarHBondContact CD2-NE2 3.45Å; L100-R158 PolarHBondContact N-O 3.48Å; L100-R158 PolarHBondContact O-NH2 2.9Å; L100-R158 VanDerWaalsContact O-NH2 3.11Å; L100-R160 HydrophobicContact CD2-CB 4.25Å; L100-R160 HydrophobicContact CD2-CG 3.87Å; L100-R160 HydrophobicContact CG-CG 4.16Å
101	P	95.2	Very high	96.2	Very high	55 Å²	55	63.3 Å²	63.3	36%	0.357	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-50.1	149.7	170.5	-23.6	33.3	0	0	0	112.7	G103 E104 R158	P101-G103 PolarHBondContact O-N 2.81Å; P101-E104 WeakPolarHBondContact CD-OE2 3.42Å; P101-E104 PolarHBondContact O-N 3.32Å; P101-R158 PolarHBondContact O-NH2 3.25Å
102	D	95.1	Very high	96.3	Very high	163 Å²	163	65.7 Å²	65.7	87%	0.872	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	134.1	-179.6	-66.7	-27.8	0	0	0	111.3
103	G	95.4	Very high	96.4	Very high	68 Å²	68	64.2 Å²	64.2	70%	0.701	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	-25.5	-175.5	0	0	0	0	0	115.3	P101 R158	P101-G103 PolarHBondContact O-N 2.81Å; G103-R158 VanDerWaalsContact C-NH1 3.29Å
104	E	97.2	Very high	96.4	Very high	71 Å²	71	62.5 Å²	62.5	33%	0.332	36%	0.362	S	S	.	.			trans	-91.1	130.8	-177.5	-67.4	175.3	-153.8	0	0	114.3	L100 P101 H109 R158	L100-E104 HydrophobicContact CB-CB 4.14Å; L100-E104 WeakPolarHBondContact CB-O 3.27Å; P101-E104 WeakPolarHBondContact CD-OE2 3.42Å; P101-E104 PolarHBondContact O-N 3.32Å; E104-H109 IonicContact OE2-CE1 3.27Å; E104-H109 PolarHBondContact OE2-CE1 3.13Å; E104-H109 IonicContact OE2-NE2 3.69Å; E104-H109 PolarHBondContact OE2-NE2 3.44Å; E104-R158 PolarHBondContact O-NH1 3.25Å; E104-R158 PolarHBondContact O-NH2 2.67Å
105	Q	97.4	Very high	96.5	Very high	88 Å²	88	62.1 Å²	62.1	41%	0.411	36%	0.359	S	S	.	.			trans	-110.3	160.2	177.1	-67.7	-173.1	88.2	0	0	111.4	L100 V107 D108 H109	L100-Q105 VanDerWaalsContact CD1-C 3.43Å; Q105-V107 HydrophobicContact CB-CG1 3.91Å; Q105-V107 PolarHBondContact O-N 3.04Å; Q105-V107 VanDerWaalsContact O-N 3.08Å; Q105-D108 PolarHBondContact N-OD2 2.83Å; Q105-D108 VanDerWaalsContact O-CB 3.27Å; Q105-D108 WeakPolarHBondContact O-CB 3.32Å; Q105-D108 PolarHBondContact O-N 3.31Å; Q105-H109 PolarHBondContact O-CD2 3.42Å; Q105-H109 VanDerWaalsContact O-CD2 3.27Å
106	L	97.6	Very high	96.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-56.7	-31	-179	-177.6	64.1	0	0	0	112.9	D108 H109 L110 F115 L118 W156 E157 P161 I164	L106-D108 PolarHBondContact O-N 3.06Å; L106-H109 PolarHBondContact O-N 3.18Å; L106-H109 VanDerWaalsContact O-N 3.12Å; L106-L110 HydrophobicContact CD1-CD1 3.8Å; L106-L110 HydrophobicContact CD1-CD2 4.49Å; L106-L110 HydrophobicContact CD1-CG 3.9Å; L106-L110 HydrophobicContact CD2-CD1 4.05Å; L106-L110 HydrophobicContact CG-CD1 3.7Å; L106-L110 HydrophobicContact CG-CG 4.11Å; L106-L110 PolarHBondContact O-N 3.15Å; L106-F115 HydrophobicContact CB-CD2 4.46Å; L106-F115 HydrophobicContact CB-CE2 4.14Å; L106-F115 HydrophobicContact CD2-CD2 4.39Å; L106-F115 HydrophobicContact CD2-CE2 4.32Å; L106-F115 HydrophobicContact CG-CD2 4.2Å; L106-F115 HydrophobicContact CG-CE2 4.28Å; L106-L118 HydrophobicContact CD2-CD2 3.59Å; L106-W156 HydrophobicContact CD2-CE3 4.01Å; L106-W156 HydrophobicContact CD2-CZ3 3.83Å; L106-E157 VanDerWaalsContact CB-O 3.24Å; L106-E157 WeakPolarHBondContact CB-O 3.48Å; L106-E157 PolarHBondContact N-O 3.35Å; L106-P161 HydrophobicContact CD1-CB 4.18Å; L106-P161 HydrophobicContact CD1-CG 3.61Å; L106-I164 HydrophobicContact CD1-CG1 4.2Å; L106-I164 HydrophobicContact CD2-CD1 3.86Å; L106-I164 HydrophobicContact CD2-CG1 3.72Å
107	V	97.6	Very high	96.9	Very high	61 Å²	61	61 Å²	61	37%	0.37	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-59.9	-28.1	174	65.2	0	0	0	0	113	Q105 H109 F115	Q105-V107 HydrophobicContact CB-CG1 3.91Å; Q105-V107 PolarHBondContact O-N 3.04Å; Q105-V107 VanDerWaalsContact O-N 3.08Å; V107-H109 VanDerWaalsContact C-N 3.27Å; V107-H109 PolarHBondContact O-N 3.07Å; V107-F115 HydrophobicContact CB-CD1 3.94Å; V107-F115 HydrophobicContact CB-CD2 4.02Å; V107-F115 HydrophobicContact CB-CE1 3.87Å; V107-F115 HydrophobicContact CB-CE2 3.97Å; V107-F115 HydrophobicContact CB-CG 4.02Å; V107-F115 HydrophobicContact CB-CZ 3.9Å; V107-F115 HydrophobicContact CG2-CD1 3.74Å; V107-F115 HydrophobicContact CG2-CE1 3.98Å; V107-F115 HydrophobicContact CG2-CG 4.07Å
108	D	96.8	Very high	97	Very high	102 Å²	102	59.9 Å²	59.9	55%	0.545	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-76.6	-15.5	179.3	-53	-43.5	0	0	0	112.2	Q105 L106	Q105-D108 PolarHBondContact N-OD2 2.83Å; Q105-D108 VanDerWaalsContact O-CB 3.27Å; Q105-D108 WeakPolarHBondContact O-CB 3.32Å; Q105-D108 PolarHBondContact O-N 3.31Å; L106-D108 PolarHBondContact O-N 3.06Å
109	H	96.1	Very high	97.1	Very high	69 Å²	69	61.9 Å²	61.9	32%	0.319	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-2.6	-175.7	-58.8	-80.9	0	0	0	114.5	L100 E104 Q105 L106 V107 P161	L100-H109 WeakPolarHBondContact CD2-NE2 3.45Å; E104-H109 IonicContact OE2-CE1 3.27Å; E104-H109 PolarHBondContact OE2-CE1 3.13Å; E104-H109 IonicContact OE2-NE2 3.69Å; E104-H109 PolarHBondContact OE2-NE2 3.44Å; Q105-H109 PolarHBondContact O-CD2 3.42Å; Q105-H109 VanDerWaalsContact O-CD2 3.27Å; L106-H109 PolarHBondContact O-N 3.18Å; L106-H109 VanDerWaalsContact O-N 3.12Å; V107-H109 VanDerWaalsContact C-N 3.27Å; V107-H109 PolarHBondContact O-N 3.07Å; H109-P161 HydrophobicContact CB-CG 3.93Å
110	L	97.1	Very high	97.1	Very high	10 Å²	10	64 Å²	64	5%	0.052	36%	0.361	C	S	.	.	S	Bend	trans	-120	146.1	-179.6	-64.8	-172.6	0	0	0	111	L106 L114 F115 L118 P161 V221 L224	L106-L110 HydrophobicContact CD1-CD1 3.8Å; L106-L110 HydrophobicContact CD1-CD2 4.49Å; L106-L110 HydrophobicContact CD1-CG 3.9Å; L106-L110 HydrophobicContact CD2-CD1 4.05Å; L106-L110 HydrophobicContact CG-CD1 3.7Å; L106-L110 HydrophobicContact CG-CG 4.11Å; L106-L110 PolarHBondContact O-N 3.15Å; L110-L114 HydrophobicContact CD2-CD2 4.24Å; L110-F115 HydrophobicContact CB-CB 4.15Å; L110-F115 HydrophobicContact CD1-CB 4.49Å; L110-F115 HydrophobicContact CD1-CD2 4.38Å; L110-L118 HydrophobicContact CD1-CD2 4.13Å; L110-P161 HydrophobicContact CD2-CB 3.98Å; L110-P161 HydrophobicContact CD2-CG 3.91Å; L110-P161 HydrophobicContact CG-CG 4.49Å; L110-V221 HydrophobicContact CD2-CG2 3.99Å; L110-L224 HydrophobicContact CD1-CD2 3.76Å; L110-L224 HydrophobicContact CD2-CD2 3.78Å; L110-L224 HydrophobicContact CG-CD2 4.46Å
111	P	97.4	Very high	97	Very high	64 Å²	64	64 Å²	64	42%	0.416	36%	0.361	S	S	.	.			trans	-54	138.4	167.2	-24.8	34.4	0	0	0	110.8	A113 L114 F115 V221	P111-A113 VanDerWaalsContact C-N 3.26Å; P111-A113 PolarHBondContact O-N 3.37Å; P111-A113 VanDerWaalsContact O-N 3.12Å; P111-L114 HydrophobicContact CB-CB 4.41Å; P111-L114 PolarHBondContact O-N 3.25Å; P111-F115 PolarHBondContact O-N 3.23Å; P111-V221 HydrophobicContact CG-CG1 4.02Å
112	P	97.7	Very high	97	Very high	112 Å²	112	61.4 Å²	61.4	73%	0.727	34%	0.344	S	S	*	.	H	α-helix	trans	-53	-40.3	-174	-30.3	35.2	0	0	0	114.3	L114 F115 H116	P112-L114 PolarHBondContact O-N 3.13Å; P112-F115 PolarHBondContact O-N 2.84Å; P112-H116 WeakPolarHBondContact O-CB 3.2Å; P112-H116 PolarHBondContact O-N 3.17Å
113	A	97.4	Very high	97	Very high	81 Å²	81	55.9 Å²	55.9	67%	0.669	31%	0.314	S	S	*	.	H	α-helix	trans	-64.1	-39.3	177.7	0	0	0	0	0	112.8	P111 R117	P111-A113 VanDerWaalsContact C-N 3.26Å; P111-A113 PolarHBondContact O-N 3.37Å; P111-A113 VanDerWaalsContact O-N 3.12Å; A113-R117 WeakPolarHBondContact O-CB 3.37Å; A113-R117 PolarHBondContact O-N 3.35Å; A113-R117 VanDerWaalsContact O-N 3.09Å
114	L	97.5	Very high	96.9	Very high	13 Å²	13	56.5 Å²	56.5	7%	0.068	30%	0.298	C	S	.	.	H	α-helix	trans	-70.8	-42.8	178.4	179.8	59.7	0	0	0	111.2	L110 P111 P112 R117 L118 V221 N225 L228	L110-L114 HydrophobicContact CD2-CD2 4.24Å; P111-L114 HydrophobicContact CB-CB 4.41Å; P111-L114 PolarHBondContact O-N 3.25Å; P112-L114 PolarHBondContact O-N 3.13Å; L114-R117 PolarHBondContact O-N 2.93Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 PolarHBondContact O-N 3.47Å; L114-V221 HydrophobicContact CD2-CG1 3.85Å; L114-N225 HydrophobicContact CD1-CB 4.15Å; L114-N225 HydrophobicContact CD2-CB 4.37Å; L114-L228 HydrophobicContact CD1-CD2 4Å
115	F	98.4	Very high	96.6	Very high	25 Å²	25	53.2 Å²	53.2	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-44.4	175.9	-179.3	-100.2	0	0	0	111.6	L106 V107 L110 P111 P112 R117 L118 K119 W156	L106-F115 HydrophobicContact CB-CD2 4.46Å; L106-F115 HydrophobicContact CB-CE2 4.14Å; L106-F115 HydrophobicContact CD2-CD2 4.39Å; L106-F115 HydrophobicContact CD2-CE2 4.32Å; L106-F115 HydrophobicContact CG-CD2 4.2Å; L106-F115 HydrophobicContact CG-CE2 4.28Å; V107-F115 HydrophobicContact CB-CD1 3.94Å; V107-F115 HydrophobicContact CB-CD2 4.02Å; V107-F115 HydrophobicContact CB-CE1 3.87Å; V107-F115 HydrophobicContact CB-CE2 3.97Å; V107-F115 HydrophobicContact CB-CG 4.02Å; V107-F115 HydrophobicContact CB-CZ 3.9Å; V107-F115 HydrophobicContact CG2-CD1 3.74Å; V107-F115 HydrophobicContact CG2-CE1 3.98Å; V107-F115 HydrophobicContact CG2-CG 4.07Å; L110-F115 HydrophobicContact CB-CB 4.15Å; L110-F115 HydrophobicContact CD1-CB 4.49Å; L110-F115 HydrophobicContact CD1-CD2 4.38Å; P111-F115 PolarHBondContact O-N 3.23Å; P112-F115 PolarHBondContact O-N 2.84Å; F115-R117 PolarHBondContact O-N 3.32Å; F115-L118 PolarHBondContact O-N 3.47Å; F115-K119 HydrophobicContact CE1-CD 4.42Å; F115-K119 WeakPolarHBondContact O-CB 3.39Å; F115-K119 PolarHBondContact O-N 3.45Å; F115-W156 HydrophobicContact CE2-CH2 4.37Å; F115-W156 HydrophobicContact CE2-CZ3 4.33Å
116	H	98.2	Very high	96.3	Very high	111 Å²	111	51.7 Å²	51.7	51%	0.514	27%	0.273	S	S	.	.	H	α-helix	trans	-60.1	-46.9	177	-177.5	-83.5	0	0	0	112.1	P112 L118 K119 Q120	P112-H116 WeakPolarHBondContact O-CB 3.2Å; P112-H116 PolarHBondContact O-N 3.17Å; H116-L118 PolarHBondContact O-N 3.04Å; H116-K119 PolarHBondContact O-N 3.07Å; H116-Q120 PolarHBondContact CE1-NE2 2.89Å; H116-Q120 VanDerWaalsContact CE1-NE2 3.34Å; H116-Q120 PolarHBondContact CE1-OE1 3.42Å; H116-Q120 PolarHBondContact ND1-OE1 3.13Å; H116-Q120 WeakPolarHBondContact O-CG 3.35Å; H116-Q120 PolarHBondContact O-N 2.87Å
117	R	97.7	Very high	95.9	Very high	39 Å²	39	58.2 Å²	58.2	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-60.4	-45.1	176.6	-176.5	-173.5	167.7	-159	4	111.8	A113 L114 F115 K119 Q120 H121 N225 L228 Y229 E232	A113-R117 WeakPolarHBondContact O-CB 3.37Å; A113-R117 PolarHBondContact O-N 3.35Å; A113-R117 VanDerWaalsContact O-N 3.09Å; L114-R117 PolarHBondContact O-N 2.93Å; F115-R117 PolarHBondContact O-N 3.32Å; R117-K119 VanDerWaalsContact C-N 3.33Å; R117-K119 PolarHBondContact O-N 3.39Å; R117-Q120 PolarHBondContact O-N 3.46Å; R117-H121 PolarHBondContact O-N 2.84Å; R117-N225 PolarHBondContact NH1-OD1 2.98Å; R117-L228 HydrophobicContact CB-CD2 4.33Å; R117-L228 HydrophobicContact CG-CD2 3.89Å; R117-Y229 VanDerWaalsContact NH2-CB 3.34Å; R117-E232 VanDerWaalsContact CG-OE1 3.3Å; R117-E232 WeakPolarHBondContact CG-OE1 3.33Å; R117-E232 IonicContact CZ-OE1 3.68Å; R117-E232 IonicContact CZ-OE2 2.63Å; R117-E232 VanDerWaalsContact CZ-OE2 3.23Å; R117-E232 VanDerWaalsContact NE-CD 3.3Å; R117-E232 IonicContact NE-OE1 3.88Å; R117-E232 PolarHBondContact NE-OE1 3.24Å; R117-E232 IonicContact NE-OE2 3.62Å; R117-E232 PolarHBondContact NE-OE2 2.67Å; R117-E232 IonicContact NH2-OE1 2.84Å; R117-E232 IonicContact NH2-OE2 3.01Å; R117-E232 PolarHBondContact NH2-OE2 3.41Å
118	L	97.7	Very high	95.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-45.3	175.7	175.4	63.3	0	0	0	111.3	L106 L110 L114 F115 H116 Q120 H121 M122 W156 I164 L168 L228	L106-L118 HydrophobicContact CD2-CD2 3.59Å; L110-L118 HydrophobicContact CD1-CD2 4.13Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 PolarHBondContact O-N 3.47Å; F115-L118 PolarHBondContact O-N 3.47Å; H116-L118 PolarHBondContact O-N 3.04Å; L118-Q120 PolarHBondContact O-N 3.36Å; L118-H121 WeakPolarHBondContact O-CB 3.35Å; L118-H121 PolarHBondContact O-N 3.45Å; L118-M122 HydrophobicContact CD1-CG 4.13Å; L118-M122 HydrophobicContact CD1-SD 4.49Å; L118-M122 HydrophobicContact CG-CG 4.36Å; L118-M122 VanDerWaalsContact O-CG 3.32Å; L118-M122 WeakPolarHBondContact O-CG 3.35Å; L118-M122 PolarHBondContact O-N 3.19Å; L118-W156 HydrophobicContact CD2-CE3 4.43Å; L118-W156 HydrophobicContact CD2-CZ3 3.78Å; L118-W156 HydrophobicContact CG-CZ3 3.97Å; L118-I164 HydrophobicContact CD1-CG2 3.86Å; L118-I164 HydrophobicContact CD2-CG2 3.79Å; L118-I164 HydrophobicContact CG-CG2 4.48Å; L118-L168 HydrophobicContact CD1-CD1 4.15Å; L118-L168 HydrophobicContact CD1-CD2 4.06Å; L118-L168 HydrophobicContact CD1-CG 4.48Å; L118-L228 HydrophobicContact CB-CD2 4.04Å; L118-L228 HydrophobicContact CD1-CD1 4.11Å; L118-L228 HydrophobicContact CD1-CD2 4.46Å
119	K	98	Very high	94.9	Very high	88 Å²	88	53 Å²	53	38%	0.383	27%	0.271	S	S	.	.	H	α-helix	trans	-59.2	-46.1	177.9	-175	168.9	-178	158.8	0	111.8	F115 H116 R117 H121 M122 D123 W156	F115-K119 HydrophobicContact CE1-CD 4.42Å; F115-K119 WeakPolarHBondContact O-CB 3.39Å; F115-K119 PolarHBondContact O-N 3.45Å; H116-K119 PolarHBondContact O-N 3.07Å; R117-K119 VanDerWaalsContact C-N 3.33Å; R117-K119 PolarHBondContact O-N 3.39Å; K119-H121 VanDerWaalsContact C-N 3.3Å; K119-H121 PolarHBondContact O-N 3.41Å; K119-M122 PolarHBondContact O-N 3.11Å; K119-D123 WeakPolarHBondContact O-CB 3.36Å; K119-D123 PolarHBondContact O-N 3.11Å; K119-W156 HydrophobicContact CB-CH2 4.31Å
120	Q	96.6	Very high	94.5	Very high	114 Å²	114	50.5 Å²	50.5	53%	0.533	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-41.3	175.3	-68.8	177.6	-57.8	0	0	112.4	H116 R117 L118 D123 F124	H116-Q120 PolarHBondContact CE1-NE2 2.89Å; H116-Q120 VanDerWaalsContact CE1-NE2 3.34Å; H116-Q120 PolarHBondContact CE1-OE1 3.42Å; H116-Q120 PolarHBondContact ND1-OE1 3.13Å; H116-Q120 WeakPolarHBondContact O-CG 3.35Å; H116-Q120 PolarHBondContact O-N 2.87Å; R117-Q120 PolarHBondContact O-N 3.46Å; L118-Q120 PolarHBondContact O-N 3.36Å; Q120-D123 PolarHBondContact O-N 3.3Å; Q120-F124 PolarHBondContact O-N 3.49Å
121	H	95.1	Very high	93.9	Very high	11 Å²	11	59.3 Å²	59.3	5%	0.051	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-45	175.5	-176.7	92.4	0	0	0	112.1	R117 L118 K119 D123 F124 V125 L228 E232 L235	R117-H121 PolarHBondContact O-N 2.84Å; L118-H121 WeakPolarHBondContact O-CB 3.35Å; L118-H121 PolarHBondContact O-N 3.45Å; K119-H121 VanDerWaalsContact C-N 3.3Å; K119-H121 PolarHBondContact O-N 3.41Å; H121-D123 VanDerWaalsContact C-N 3.3Å; H121-D123 PolarHBondContact O-N 2.94Å; H121-F124 WeakPolarHBondContact O-CB 3.32Å; H121-F124 PolarHBondContact O-N 3.39Å; H121-V125 WeakPolarHBondContact O-CG2 3.47Å; H121-V125 PolarHBondContact O-N 3.02Å; H121-L228 HydrophobicContact CB-CD1 3.66Å; H121-E232 WeakPolarHBondContact ND1-CG 3.36Å; H121-L235 WeakPolarHBondContact CE1-CD1 3.43Å
122	M	95.9	Very high	93.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-36.7	176.8	-66.4	-58.7	-66.3	0	0	111.8	L118 K119 V125 R126 F149 A153 W156 L167 L168 L171	L118-M122 HydrophobicContact CD1-CG 4.13Å; L118-M122 HydrophobicContact CD1-SD 4.49Å; L118-M122 HydrophobicContact CG-CG 4.36Å; L118-M122 VanDerWaalsContact O-CG 3.32Å; L118-M122 WeakPolarHBondContact O-CG 3.35Å; L118-M122 PolarHBondContact O-N 3.19Å; K119-M122 PolarHBondContact O-N 3.11Å; M122-V125 PolarHBondContact O-N 2.9Å; M122-R126 WeakPolarHBondContact O-CB 3.26Å; M122-R126 PolarHBondContact O-N 2.87Å; M122-F149 HydrophobicContact CB-CZ 4.26Å; M122-F149 HydrophobicContact CE-CE2 3.85Å; M122-F149 HydrophobicContact CE-CZ 3.63Å; M122-F149 WeakPolarHBondContact O-CE2 3.3Å; M122-A153 HydrophobicContact CE-CB 3.87Å; M122-W156 HydrophobicContact CB-CH2 4.43Å; M122-W156 HydrophobicContact CB-CZ2 3.98Å; M122-W156 HydrophobicContact CE-CB 4.4Å; M122-W156 HydrophobicContact CE-CD2 4.08Å; M122-W156 HydrophobicContact CE-CG 3.89Å; M122-W156 HydrophobicContact CG-CD2 4.17Å; M122-W156 HydrophobicContact CG-CE3 4.25Å; M122-W156 HydrophobicContact CG-CH2 4.08Å; M122-W156 HydrophobicContact CG-CZ2 3.99Å; M122-W156 HydrophobicContact CG-CZ3 4.2Å; M122-L167 HydrophobicContact CE-CD2 4.05Å; M122-L168 HydrophobicContact SD-CD2 4.03Å; M122-L171 HydrophobicContact CE-CD1 3.81Å; M122-L171 HydrophobicContact SD-CD1 3.78Å
123	D	94.5	Very high	92.4	Very high	46 Å²	46	54 Å²	54	25%	0.246	25%	0.254	C	S	.	.	H	α-helix	trans	-67.5	-35.7	175.4	-67.7	-20.4	0	0	0	112.2	K119 Q120 H121 R126 Q127	K119-D123 WeakPolarHBondContact O-CB 3.36Å; K119-D123 PolarHBondContact O-N 3.11Å; Q120-D123 PolarHBondContact O-N 3.3Å; H121-D123 VanDerWaalsContact C-N 3.3Å; H121-D123 PolarHBondContact O-N 2.94Å; D123-R126 IonicContact OD1-CZ 2.89Å; D123-R126 VanDerWaalsContact OD1-CZ 3.27Å; D123-R126 IonicContact OD1-NH1 3.5Å; D123-R126 PolarHBondContact OD1-NH1 2.87Å; D123-R126 IonicContact OD1-NH2 3.61Å; D123-R126 PolarHBondContact OD1-NH2 3.2Å; D123-Q127 WeakPolarHBondContact O-CG 3.37Å; D123-Q127 PolarHBondContact O-N 3.35Å; D123-Q127 PolarHBondContact O-NE2 3.43Å
124	F	92.1	Very high	91.1	Very high	82 Å²	82	56 Å²	56	36%	0.36	26%	0.259	S	S	.	.	H	α-helix	trans	-65	-49.2	171.1	174.1	-87	0	0	0	111	Q120 H121 R126 Q127 E128 L235	Q120-F124 PolarHBondContact O-N 3.49Å; H121-F124 WeakPolarHBondContact O-CB 3.32Å; H121-F124 PolarHBondContact O-N 3.39Å; F124-R126 VanDerWaalsContact C-N 3.28Å; F124-R126 PolarHBondContact O-N 3.1Å; F124-Q127 PolarHBondContact O-N 2.7Å; F124-Q127 VanDerWaalsContact O-N 3.08Å; F124-E128 HydrophobicContact CD1-CG 4.24Å; F124-E128 HydrophobicContact CE1-CG 3.63Å; F124-E128 HydrophobicContact CE2-CG 4.21Å; F124-E128 HydrophobicContact CZ-CG 3.63Å; F124-E128 PolarHBondContact O-N 3.34Å; F124-E128 VanDerWaalsContact O-N 3.1Å; F124-L235 HydrophobicContact CD1-CD1 3.69Å; F124-L235 HydrophobicContact CE1-CB 4.03Å; F124-L235 HydrophobicContact CE1-CD1 3.61Å; F124-L235 HydrophobicContact CE1-CD2 3.91Å; F124-L235 HydrophobicContact CE1-CG 4.04Å; F124-L235 HydrophobicContact CZ-CB 4.42Å
125	V	91.2	Very high	89.5	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-59	-41.2	177.6	171.1	0	0	0	0	111.2	H121 M122 Q127 E128 L129 W132 L171	H121-V125 WeakPolarHBondContact O-CG2 3.47Å; H121-V125 PolarHBondContact O-N 3.02Å; M122-V125 PolarHBondContact O-N 2.9Å; V125-Q127 PolarHBondContact O-N 3.37Å; V125-E128 PolarHBondContact O-N 3.07Å; V125-E128 VanDerWaalsContact O-N 3.15Å; V125-L129 HydrophobicContact CG1-CD1 4.45Å; V125-L129 HydrophobicContact CG1-CG 4.14Å; V125-L129 WeakPolarHBondContact O-CG 3.38Å; V125-L129 PolarHBondContact O-N 2.75Å; V125-W132 HydrophobicContact CG1-CH2 3.89Å; V125-W132 HydrophobicContact CG1-CZ3 4.12Å; V125-W132 HydrophobicContact CG2-CH2 4.42Å; V125-L171 HydrophobicContact CG1-CB 4.21Å; V125-L171 HydrophobicContact CG1-CD1 4.15Å; V125-L171 HydrophobicContact CG1-CD2 4.05Å; V125-L171 HydrophobicContact CG1-CG 4.35Å
126	R	91.4	Very high	87.6	Confident	57 Å²	57	64.1 Å²	64.1	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-53.6	-42.3	175.5	-172.6	-178.8	-51.7	110.2	10.3	112	M122 D123 F124 T145 E146 F149	M122-R126 WeakPolarHBondContact O-CB 3.26Å; M122-R126 PolarHBondContact O-N 2.87Å; D123-R126 IonicContact OD1-CZ 2.89Å; D123-R126 VanDerWaalsContact OD1-CZ 3.27Å; D123-R126 IonicContact OD1-NH1 3.5Å; D123-R126 PolarHBondContact OD1-NH1 2.87Å; D123-R126 IonicContact OD1-NH2 3.61Å; D123-R126 PolarHBondContact OD1-NH2 3.2Å; F124-R126 VanDerWaalsContact C-N 3.28Å; F124-R126 PolarHBondContact O-N 3.1Å; R126-T145 HydrophobicContact CG-CG2 4.17Å; R126-T145 WeakPolarHBondContact O-CG2 3.1Å; R126-E146 WeakPolarHBondContact CD-OE2 3.44Å; R126-E146 IonicContact NE-OE2 3.23Å; R126-F149 HydrophobicContact CB-CB 4.48Å; R126-F149 HydrophobicContact CB-CD2 3.59Å; R126-F149 HydrophobicContact CB-CE2 3.88Å; R126-F149 HydrophobicContact CB-CG 3.99Å; R126-F149 HydrophobicContact CG-CB 3.82Å; R126-F149 HydrophobicContact CG-CD1 4.25Å; R126-F149 HydrophobicContact CG-CD2 3.86Å; R126-F149 HydrophobicContact CG-CE2 4.5Å; R126-F149 HydrophobicContact CG-CG 3.71Å
127	Q	89.2	Confident	85.6	Confident	137 Å²	137	69.9 Å²	69.9	64%	0.64	32%	0.323	S	S	*	.	H	α-helix	trans	-74	-32.3	-179.7	-69.9	168.4	65.7	0	0	112.9	D123 F124 V125	D123-Q127 WeakPolarHBondContact O-CG 3.37Å; D123-Q127 PolarHBondContact O-N 3.35Å; D123-Q127 PolarHBondContact O-NE2 3.43Å; F124-Q127 PolarHBondContact O-N 2.7Å; F124-Q127 VanDerWaalsContact O-N 3.08Å; V125-Q127 PolarHBondContact O-N 3.37Å
128	E	86.7	Confident	83.7	Confident	52 Å²	52	75.4 Å²	75.4	24%	0.243	35%	0.35	C	S	.	.	H	α-helix	trans	-82.6	-27.5	-179.1	-74.3	-61.6	120.2	0	0	113.8	F124 V125 P130 R131 W132	F124-E128 HydrophobicContact CD1-CG 4.24Å; F124-E128 HydrophobicContact CE1-CG 3.63Å; F124-E128 HydrophobicContact CE2-CG 4.21Å; F124-E128 HydrophobicContact CZ-CG 3.63Å; F124-E128 PolarHBondContact O-N 3.34Å; F124-E128 VanDerWaalsContact O-N 3.1Å; V125-E128 PolarHBondContact O-N 3.07Å; V125-E128 VanDerWaalsContact O-N 3.15Å; E128-P130 VanDerWaalsContact C-CD 3.48Å; E128-R131 VanDerWaalsContact O-CB 3.3Å; E128-R131 WeakPolarHBondContact O-CB 3.34Å; E128-R131 PolarHBondContact O-N 2.88Å; E128-R131 WeakPolarHBondContact OE2-CD 3.07Å; E128-R131 IonicContact OE2-NE 3.83Å; E128-W132 HydrophobicContact CB-CZ2 3.87Å
129	L	87.8	Confident	82.1	Confident	0 Å²	0	86.1 Å²	86.1	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-47.8	-46	-175.4	-91.8	175	0	0	0	115	V125 R131 W132 L148 F149 V152 V176	V125-L129 HydrophobicContact CG1-CD1 4.45Å; V125-L129 HydrophobicContact CG1-CG 4.14Å; V125-L129 WeakPolarHBondContact O-CG 3.38Å; V125-L129 PolarHBondContact O-N 2.75Å; L129-R131 PolarHBondContact O-N 3.22Å; L129-W132 HydrophobicContact CD2-CE3 3.64Å; L129-W132 HydrophobicContact CD2-CZ3 3.84Å; L129-W132 HydrophobicContact CG-CE3 4.42Å; L129-W132 HydrophobicContact CG-CZ3 4.42Å; L129-W132 WeakPolarHBondContact O-CB 3.38Å; L129-W132 PolarHBondContact O-N 2.9Å; L129-L148 HydrophobicContact CB-CD2 3.97Å; L129-L148 HydrophobicContact CB-CG 4.38Å; L129-F149 HydrophobicContact CD1-CB 3.84Å; L129-F149 HydrophobicContact CD1-CD2 3.64Å; L129-F149 HydrophobicContact CD1-CG 4.22Å; L129-V152 HydrophobicContact CD2-CG2 4.46Å; L129-V176 HydrophobicContact CD2-CG1 4.34Å; L129-V176 HydrophobicContact CD2-CG2 3.74Å
130	P	86.2	Confident	80.5	Confident	17 Å²	17	84.9 Å²	84.9	11%	0.11	39%	0.392	C	S	.	.	H	α-helix	trans	-58.6	-32.4	178.7	-25.3	35.1	0	0	0	113.4	E128 W132 T133 P140 T145	E128-P130 VanDerWaalsContact C-CD 3.48Å; P130-W132 PolarHBondContact O-N 2.81Å; P130-T133 PolarHBondContact O-N 3.35Å; P130-T133 PolarHBondContact O-OG1 3.37Å; P130-P140 HydrophobicContact CB-CB 3.98Å; P130-P140 HydrophobicContact CB-CG 3.66Å; P130-P140 HydrophobicContact CG-CB 4.23Å; P130-P140 HydrophobicContact CG-CG 4.15Å; P130-T145 HydrophobicContact CG-CG2 3.95Å
131	R	84.5	Confident	79.7	Confident	195 Å²	195	84.2 Å²	84.2	74%	0.736	39%	0.392	S	S	*	.	H	α-helix	trans	-70.4	-22	178.4	-58.2	177.9	63.6	130.3	0.7	112.8	E128 L129 T133	E128-R131 VanDerWaalsContact O-CB 3.3Å; E128-R131 WeakPolarHBondContact O-CB 3.34Å; E128-R131 PolarHBondContact O-N 2.88Å; E128-R131 WeakPolarHBondContact OE2-CD 3.07Å; E128-R131 IonicContact OE2-NE 3.83Å; L129-R131 PolarHBondContact O-N 3.22Å; R131-T133 VanDerWaalsContact C-N 3.33Å
132	W	84.9	Confident	79.3	Confident	39 Å²	39	87.8 Å²	87.8	15%	0.148	42%	0.423	C	S	.	.	H	α-helix	trans	-83.6	-13.7	178.7	-57.2	-6.5	0	0	0	112.3	V125 E128 L129 P130 L171 P173 V176	V125-W132 HydrophobicContact CG1-CH2 3.89Å; V125-W132 HydrophobicContact CG1-CZ3 4.12Å; V125-W132 HydrophobicContact CG2-CH2 4.42Å; E128-W132 HydrophobicContact CB-CZ2 3.87Å; L129-W132 HydrophobicContact CD2-CE3 3.64Å; L129-W132 HydrophobicContact CD2-CZ3 3.84Å; L129-W132 HydrophobicContact CG-CE3 4.42Å; L129-W132 HydrophobicContact CG-CZ3 4.42Å; L129-W132 WeakPolarHBondContact O-CB 3.38Å; L129-W132 PolarHBondContact O-N 2.9Å; P130-W132 PolarHBondContact O-N 2.81Å; W132-L171 WeakPolarHBondContact CH2-O 3.27Å; W132-P173 HydrophobicContact CB-CB 4.13Å; W132-P173 HydrophobicContact CB-CG 4.39Å; W132-P173 HydrophobicContact CD2-CB 4.48Å; W132-P173 HydrophobicContact CD2-CG 3.91Å; W132-P173 HydrophobicContact CG-CB 4.07Å; W132-P173 HydrophobicContact CG-CG 3.78Å; W132-V176 HydrophobicContact CE3-CG2 3.94Å; W132-V176 HydrophobicContact CZ3-CG2 4.41Å
133	T	79	Confident	78.8	Confident	25 Å²	25	90.9 Å²	90.9	15%	0.153	45%	0.449	C	S	.	.			trans	-94.7	146.7	177.1	65.5	0	0	0	0	111.4	P130 R131 V135 L148 V176	P130-T133 PolarHBondContact O-N 3.35Å; P130-T133 PolarHBondContact O-OG1 3.37Å; R131-T133 VanDerWaalsContact C-N 3.33Å; T133-V135 VanDerWaalsContact C-N 3.29Å; T133-L148 HydrophobicContact CG2-CD1 4.27Å; T133-L148 HydrophobicContact CG2-CD2 3.82Å; T133-V176 HydrophobicContact CG2-CG1 3.91Å
134	T	70.4	Confident	78.4	Confident	125 Å²	125	92.3 Å²	92.3	77%	0.767	45%	0.451	S	S	*	.			trans	-81.1	-11	173.4	52.8	0	0	0	0	113	D136	T134-D136 PolarHBondContact O-N 3.13Å
135	V	64.7	Low	78.2	Confident	91 Å²	91	89.5 Å²	89.5	55%	0.552	44%	0.441	S	S	*	.	S	Bend	trans	-67.8	123.5	-176.6	-176.8	0	0	0	0	109.8	T133 R137	T133-V135 VanDerWaalsContact C-N 3.29Å; V135-R137 PolarHBondContact O-N 2.88Å
136	D	57	Low	78.1	Confident	117 Å²	117	94 Å²	94	63%	0.626	46%	0.462	S	S	*	.			trans	6.8	101.5	175.8	-130.1	-13	0	0	0	116.9	T134 H138	T134-D136 PolarHBondContact O-N 3.13Å; D136-H138 VanDerWaalsContact CG-ND1 3.34Å; D136-H138 PolarHBondContact O-N 3.3Å; D136-H138 IonicContact OD1-CE1 2.67Å; D136-H138 PolarHBondContact OD1-CE1 3.26Å; D136-H138 IonicContact OD1-CG 2.65Å; D136-H138 IonicContact OD1-ND1 3.05Å; D136-H138 PolarHBondContact OD1-ND1 3.31Å; D136-H138 IonicContact OD2-ND1 2.97Å
137	R	56.9	Low	78	Confident	231 Å²	231	98.1 Å²	98.1	87%	0.872	48%	0.484	S	S	*	.			trans	-64.2	6.5	178.7	-64.5	-179.5	177.6	176.9	-0.5	114.4	V135 R139	V135-R137 PolarHBondContact O-N 2.88Å; R137-R139 PolarHBondContact O-N 3.13Å
138	H	58.3	Low	77.9	Confident	155 Å²	155	92.5 Å²	92.5	72%	0.718	46%	0.458	S	S	*	.	S	Bend	trans	-70.4	83.7	177.1	-69.8	95.5	0	0	0	109.2	D136	D136-H138 VanDerWaalsContact CG-ND1 3.34Å; D136-H138 PolarHBondContact O-N 3.3Å; D136-H138 IonicContact OD1-CE1 2.67Å; D136-H138 PolarHBondContact OD1-CE1 3.26Å; D136-H138 IonicContact OD1-CG 2.65Å; D136-H138 IonicContact OD1-ND1 3.05Å; D136-H138 PolarHBondContact OD1-ND1 3.31Å; D136-H138 IonicContact OD2-ND1 2.97Å
139	R	63.6	Low	78.2	Confident	226 Å²	226	90.3 Å²	90.3	85%	0.853	45%	0.448	S	S	*	.			trans	33.7	83.8	173.1	-70.2	-173.7	-179.8	-154.8	0.5	112.9	R137 D141	R137-R139 PolarHBondContact O-N 3.13Å; R139-D141 PolarHBondContact O-N 3.05Å
140	P	65	Low	78.5	Confident	61 Å²	61	97 Å²	97	40%	0.396	47%	0.474	S	S	.	.			trans	-51.7	118.5	170.9	23.3	-33.6	0	0	0	108.1	P130 Y144	P130-P140 HydrophobicContact CB-CB 3.98Å; P130-P140 HydrophobicContact CB-CG 3.66Å; P130-P140 HydrophobicContact CG-CB 4.23Å; P130-P140 HydrophobicContact CG-CG 4.15Å; P140-Y144 HydrophobicContact CB-CD1 3.61Å; P140-Y144 HydrophobicContact CB-CE1 4.21Å
141	D	80.1	Confident	78.6	Confident	100 Å²	100	98.5 Å²	98.5	54%	0.535	49%	0.485	S	S	.	.			trans	-70.7	168.3	172.7	72	8.4	0	0	0	109.4	R139 A143 Y144 T145	R139-D141 PolarHBondContact O-N 3.05Å; D141-A143 PolarHBondContact O-N 2.89Å; D141-A143 PolarHBondContact OD1-N 2.67Å; D141-Y144 PolarHBondContact O-N 2.97Å; D141-Y144 WeakPolarHBondContact OD1-CB 3.31Å; D141-Y144 PolarHBondContact OD1-N 2.7Å; D141-T145 PolarHBondContact O-N 3.13Å; D141-T145 PolarHBondContact O-OG1 3.34Å; D141-T145 VanDerWaalsContact O-OG1 3.06Å
142	A	84.9	Confident	78.8	Confident	87 Å²	87	90.4 Å²	90.4	72%	0.719	46%	0.457	S	S	*	.	H	α-helix	trans	-60.2	-30.5	-179.1	0	0	0	0	0	112.1	E146	A142-E146 WeakPolarHBondContact O-CB 3.39Å; A142-E146 PolarHBondContact O-N 2.72Å
143	A	86.8	Confident	79.3	Confident	65 Å²	65	88.6 Å²	88.6	54%	0.537	45%	0.451	S	S	.	.	H	α-helix	trans	-71.1	-45.2	-178.7	0	0	0	0	0	112.1	D141 T145 E146 Q147	D141-A143 PolarHBondContact O-N 2.89Å; D141-A143 PolarHBondContact OD1-N 2.67Å; A143-T145 VanDerWaalsContact C-N 3.33Å; A143-T145 PolarHBondContact O-N 3.08Å; A143-E146 PolarHBondContact O-N 3.47Å; A143-Q147 WeakPolarHBondContact O-CB 3.5Å; A143-Q147 PolarHBondContact O-N 2.89Å
144	Y	85.8	Confident	79.9	Confident	75 Å²	75	88.3 Å²	88.3	29%	0.294	45%	0.452	S	S	.	.	H	α-helix	trans	-61.1	-44.3	174.3	173.8	-100.7	0	0	0	111.3	P140 D141 E146 Q147 L148	P140-Y144 HydrophobicContact CB-CD1 3.61Å; P140-Y144 HydrophobicContact CB-CE1 4.21Å; D141-Y144 PolarHBondContact O-N 2.97Å; D141-Y144 WeakPolarHBondContact OD1-CB 3.31Å; D141-Y144 PolarHBondContact OD1-N 2.7Å; Y144-E146 VanDerWaalsContact C-N 3.31Å; Y144-E146 PolarHBondContact O-N 3.24Å; Y144-Q147 PolarHBondContact O-N 2.88Å; Y144-L148 HydrophobicContact CE1-CD2 4.16Å; Y144-L148 VanDerWaalsContact O-CB 3.32Å; Y144-L148 WeakPolarHBondContact O-CB 3.35Å; Y144-L148 PolarHBondContact O-N 3.05Å
145	T	87.3	Confident	81	Confident	23 Å²	23	85.4 Å²	85.4	14%	0.141	43%	0.432	C	S	.	.	H	α-helix	trans	-59.5	-44.1	178	-56.3	0	0	0	0	111.3	R126 P130 D141 A143 L148 F149	R126-T145 HydrophobicContact CG-CG2 4.17Å; R126-T145 WeakPolarHBondContact O-CG2 3.1Å; P130-T145 HydrophobicContact CG-CG2 3.95Å; D141-T145 PolarHBondContact O-N 3.13Å; D141-T145 PolarHBondContact O-OG1 3.34Å; D141-T145 VanDerWaalsContact O-OG1 3.06Å; A143-T145 VanDerWaalsContact C-N 3.33Å; A143-T145 PolarHBondContact O-N 3.08Å; T145-L148 PolarHBondContact O-N 2.65Å; T145-F149 WeakPolarHBondContact O-CB 3.37Å; T145-F149 PolarHBondContact O-N 3.39Å
146	E	89.5	Confident	82.6	Confident	95 Å²	95	81.6 Å²	81.6	44%	0.444	41%	0.408	S	S	.	.	H	α-helix	trans	-65.9	-44.6	177.9	-172.4	57.2	-152.6	0	0	112.1	R126 A142 A143 Y144 L148 F149 Y150	R126-E146 WeakPolarHBondContact CD-OE2 3.44Å; R126-E146 IonicContact NE-OE2 3.23Å; A142-E146 WeakPolarHBondContact O-CB 3.39Å; A142-E146 PolarHBondContact O-N 2.72Å; A143-E146 PolarHBondContact O-N 3.47Å; Y144-E146 VanDerWaalsContact C-N 3.31Å; Y144-E146 PolarHBondContact O-N 3.24Å; E146-L148 PolarHBondContact O-N 2.92Å; E146-F149 PolarHBondContact O-N 2.8Å; E146-Y150 WeakPolarHBondContact O-CB 3.41Å; E146-Y150 PolarHBondContact O-N 3.47Å
147	Q	89.2	Confident	84.5	Confident	145 Å²	145	78.5 Å²	78.5	68%	0.678	39%	0.39	S	S	*	.	H	α-helix	trans	-62.8	-42.7	177	-176.4	178.3	-13.9	0	0	111.8	A143 Y144 S151	A143-Q147 WeakPolarHBondContact O-CB 3.5Å; A143-Q147 PolarHBondContact O-N 2.89Å; Y144-Q147 PolarHBondContact O-N 2.88Å; Q147-S151 VanDerWaalsContact O-CB 3.32Å; Q147-S151 WeakPolarHBondContact O-CB 3.28Å; Q147-S151 PolarHBondContact O-N 2.89Å
148	L	88.2	Confident	86.4	Confident	19 Å²	19	69.4 Å²	69.4	10%	0.099	36%	0.355	C	S	.	.	H	α-helix	trans	-61.4	-50.3	176.5	177.6	59.1	0	0	0	110.3	L129 T133 Y144 T145 E146 S151 V152	L129-L148 HydrophobicContact CB-CD2 3.97Å; L129-L148 HydrophobicContact CB-CG 4.38Å; T133-L148 HydrophobicContact CG2-CD1 4.27Å; T133-L148 HydrophobicContact CG2-CD2 3.82Å; Y144-L148 HydrophobicContact CE1-CD2 4.16Å; Y144-L148 VanDerWaalsContact O-CB 3.32Å; Y144-L148 WeakPolarHBondContact O-CB 3.35Å; Y144-L148 PolarHBondContact O-N 3.05Å; T145-L148 PolarHBondContact O-N 2.65Å; E146-L148 PolarHBondContact O-N 2.92Å; L148-S151 WeakPolarHBondContact O-CB 3.26Å; L148-S151 PolarHBondContact O-N 2.77Å; L148-S151 PolarHBondContact O-OG 3.31Å; L148-V152 HydrophobicContact CD1-CG2 4.35Å; L148-V152 WeakPolarHBondContact O-CG2 3.38Å; L148-V152 PolarHBondContact O-N 3.14Å; L148-V152 VanDerWaalsContact O-N 3.1Å
149	F	92.4	Very high	88.3	Confident	5 Å²	5	63 Å²	63	2%	0.022	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-48.1	178.4	179.4	-98	0	0	0	112.3	M122 R126 L129 T145 E146 S151 V152 A153 W156	M122-F149 HydrophobicContact CB-CZ 4.26Å; M122-F149 HydrophobicContact CE-CE2 3.85Å; M122-F149 HydrophobicContact CE-CZ 3.63Å; M122-F149 WeakPolarHBondContact O-CE2 3.3Å; R126-F149 HydrophobicContact CB-CB 4.48Å; R126-F149 HydrophobicContact CB-CD2 3.59Å; R126-F149 HydrophobicContact CB-CE2 3.88Å; R126-F149 HydrophobicContact CB-CG 3.99Å; R126-F149 HydrophobicContact CG-CB 3.82Å; R126-F149 HydrophobicContact CG-CD1 4.25Å; R126-F149 HydrophobicContact CG-CD2 3.86Å; R126-F149 HydrophobicContact CG-CE2 4.5Å; R126-F149 HydrophobicContact CG-CG 3.71Å; L129-F149 HydrophobicContact CD1-CB 3.84Å; L129-F149 HydrophobicContact CD1-CD2 3.64Å; L129-F149 HydrophobicContact CD1-CG 4.22Å; T145-F149 WeakPolarHBondContact O-CB 3.37Å; T145-F149 PolarHBondContact O-N 3.39Å; E146-F149 PolarHBondContact O-N 2.8Å; F149-S151 VanDerWaalsContact C-N 3.26Å; F149-S151 PolarHBondContact O-N 3.1Å; F149-V152 PolarHBondContact O-N 3.3Å; F149-V152 VanDerWaalsContact O-N 3.09Å; F149-A153 HydrophobicContact CD2-CB 4.49Å; F149-A153 HydrophobicContact CE1-CB 4.18Å; F149-A153 HydrophobicContact CE2-CB 4.13Å; F149-A153 HydrophobicContact CZ-CB 3.96Å; F149-A153 PolarHBondContact O-N 3.16Å; F149-W156 AromaticContact CE1-CD1 3.85Å; F149-W156 AromaticContact CE1-NE1 3.77Å; F149-W156 AromaticContact CZ-CD1 3.9Å; F149-W156 AromaticContact CZ-NE1 3.76Å
150	Y	93	Very high	89.8	Confident	141 Å²	141	55.9 Å²	55.9	55%	0.553	30%	0.298	S	S	*	.	H	α-helix	trans	-60.9	-37	176.4	-173	-92.9	0	0	0	111.7	E146 V152 G154 N155	E146-Y150 WeakPolarHBondContact O-CB 3.41Å; E146-Y150 PolarHBondContact O-N 3.47Å; Y150-V152 VanDerWaalsContact C-N 3.29Å; Y150-V152 PolarHBondContact O-N 3.18Å; Y150-G154 WeakPolarHBondContact O-CA 3.47Å; Y150-G154 PolarHBondContact O-N 3.21Å; Y150-N155 HydrophobicContact CE2-CB 4.43Å
151	S	89.3	Confident	91.3	Very high	48 Å²	48	53.7 Å²	53.7	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-63	-38.1	176.4	86.3	0	0	0	0	111.7	Q147 L148 F149 R179	Q147-S151 VanDerWaalsContact O-CB 3.32Å; Q147-S151 WeakPolarHBondContact O-CB 3.28Å; Q147-S151 PolarHBondContact O-N 2.89Å; L148-S151 WeakPolarHBondContact O-CB 3.26Å; L148-S151 PolarHBondContact O-N 2.77Å; L148-S151 PolarHBondContact O-OG 3.31Å; F149-S151 VanDerWaalsContact C-N 3.26Å; F149-S151 PolarHBondContact O-N 3.1Å; S151-R179 PolarHBondContact O-NH1 3.28Å; S151-R179 PolarHBondContact O-NH2 3.11Å; S151-R179 PolarHBondContact OG-NH2 2.9Å
152	V	89.4	Confident	91.9	Very high	25 Å²	25	49.3 Å²	49.3	15%	0.152	26%	0.261	C	S	.	.	H	α-helix	trans	-82.9	-53.7	-175.9	-179.4	0	0	0	0	112	L129 L148 F149 Y150 L171 V176	L129-V152 HydrophobicContact CD2-CG2 4.46Å; L148-V152 HydrophobicContact CD1-CG2 4.35Å; L148-V152 WeakPolarHBondContact O-CG2 3.38Å; L148-V152 PolarHBondContact O-N 3.14Å; L148-V152 VanDerWaalsContact O-N 3.1Å; F149-V152 PolarHBondContact O-N 3.3Å; F149-V152 VanDerWaalsContact O-N 3.09Å; Y150-V152 VanDerWaalsContact C-N 3.29Å; Y150-V152 PolarHBondContact O-N 3.18Å; V152-L171 HydrophobicContact CG1-CD2 3.48Å; V152-L171 VanDerWaalsContact CG1-CD2 3.48Å; V152-V176 HydrophobicContact CG1-CG2 4.43Å
153	A	93.6	Very high	92.3	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-86.8	-19.9	-175.6	0	0	0	0	0	113.4	M122 F149 W156 K159 L167	M122-A153 HydrophobicContact CE-CB 3.87Å; F149-A153 HydrophobicContact CD2-CB 4.49Å; F149-A153 HydrophobicContact CE1-CB 4.18Å; F149-A153 HydrophobicContact CE2-CB 4.13Å; F149-A153 HydrophobicContact CZ-CB 3.96Å; F149-A153 PolarHBondContact O-N 3.16Å; A153-W156 HydrophobicContact CB-CB 4.33Å; A153-K159 WeakPolarHBondContact O-CE 3.09Å; A153-L167 HydrophobicContact CB-CD1 4.29Å; A153-L167 HydrophobicContact CB-CD2 4.14Å
154	G	91.9	Very high	92.8	Very high	18 Å²	18	43.7 Å²	43.7	19%	0.186	21%	0.207	C	C	.	.			trans	59.7	-155.5	-170.1	0	0	0	0	0	111.7	Y150 W156	Y150-G154 WeakPolarHBondContact O-CA 3.47Å; Y150-G154 PolarHBondContact O-N 3.21Å; G154-W156 PolarHBondContact O-N 3.41Å
155	N	94.2	Very high	93	Very high	65 Å²	65	40.1 Å²	40.1	35%	0.348	19%	0.193	S	C	.	.	S	Bend	trans	-79.2	69.4	169	-167.1	-10	0	0	0	110.1	Y99 Y150 E157 R158	Y99-N155 HydrophobicContact CE1-CB 4.31Å; Y150-N155 HydrophobicContact CE2-CB 4.43Å; N155-E157 VanDerWaalsContact C-N 3.26Å; N155-E157 PolarHBondContact O-N 3.16Å; N155-R158 HydrophobicContact CB-CB 4.47Å; N155-R158 WeakPolarHBondContact ND2-CG 3.48Å; N155-R158 WeakPolarHBondContact O-CB 3.22Å; N155-R158 PolarHBondContact O-N 3.26Å; N155-R158 WeakPolarHBondContact OD1-CG 3.37Å
156	W	97.1	Very high	93	Very high	11 Å²	11	40.8 Å²	40.8	4%	0.042	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61.2	-32.7	-172.7	69.7	-88.1	0	0	0	112.8	L106 F115 L118 K119 M122 F149 A153 G154 R158 K159 I164 L167	L106-W156 HydrophobicContact CD2-CE3 4.01Å; L106-W156 HydrophobicContact CD2-CZ3 3.83Å; F115-W156 HydrophobicContact CE2-CH2 4.37Å; F115-W156 HydrophobicContact CE2-CZ3 4.33Å; L118-W156 HydrophobicContact CD2-CE3 4.43Å; L118-W156 HydrophobicContact CD2-CZ3 3.78Å; L118-W156 HydrophobicContact CG-CZ3 3.97Å; K119-W156 HydrophobicContact CB-CH2 4.31Å; M122-W156 HydrophobicContact CB-CH2 4.43Å; M122-W156 HydrophobicContact CB-CZ2 3.98Å; M122-W156 HydrophobicContact CE-CB 4.4Å; M122-W156 HydrophobicContact CE-CD2 4.08Å; M122-W156 HydrophobicContact CE-CG 3.89Å; M122-W156 HydrophobicContact CG-CD2 4.17Å; M122-W156 HydrophobicContact CG-CE3 4.25Å; M122-W156 HydrophobicContact CG-CH2 4.08Å; M122-W156 HydrophobicContact CG-CZ2 3.99Å; M122-W156 HydrophobicContact CG-CZ3 4.2Å; F149-W156 AromaticContact CE1-CD1 3.85Å; F149-W156 AromaticContact CE1-NE1 3.77Å; F149-W156 AromaticContact CZ-CD1 3.9Å; F149-W156 AromaticContact CZ-NE1 3.76Å; A153-W156 HydrophobicContact CB-CB 4.33Å; G154-W156 PolarHBondContact O-N 3.41Å; W156-R158 PolarHBondContact O-N 2.88Å; W156-R158 VanDerWaalsContact O-N 3.07Å; W156-K159 WeakPolarHBondContact O-CB 3.09Å; W156-K159 PolarHBondContact O-N 2.6Å; W156-I164 HydrophobicContact CB-CD1 4.41Å; W156-I164 HydrophobicContact CE3-CD1 4.27Å; W156-I164 WeakPolarHBondContact O-CD1 3.46Å; W156-L167 HydrophobicContact CB-CD2 3.64Å
157	E	97.5	Very high	93.2	Very high	52 Å²	52	37 Å²	37	24%	0.243	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-63.1	-14.5	176.5	-66.1	-177.8	132.5	0	0	112.8	L106 N155	L106-E157 VanDerWaalsContact CB-O 3.24Å; L106-E157 WeakPolarHBondContact CB-O 3.48Å; L106-E157 PolarHBondContact N-O 3.35Å; N155-E157 VanDerWaalsContact C-N 3.26Å; N155-E157 PolarHBondContact O-N 3.16Å
158	R	97.2	Very high	93.3	Very high	39 Å²	39	30 Å²	30	15%	0.147	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-99.3	-5.3	175.4	-70.8	-68.2	-54.4	173.2	18.2	114	Y99 L100 P101 G103 E104 N155 W156	Y99-R158 HydrophobicContact CD1-CB 3.64Å; Y99-R158 WeakPolarHBondContact CD1-O 3.4Å; Y99-R158 HydrophobicContact CE1-CB 3.82Å; L100-R158 PolarHBondContact N-O 3.48Å; L100-R158 PolarHBondContact O-NH2 2.9Å; L100-R158 VanDerWaalsContact O-NH2 3.11Å; P101-R158 PolarHBondContact O-NH2 3.25Å; G103-R158 VanDerWaalsContact C-NH1 3.29Å; E104-R158 PolarHBondContact O-NH1 3.25Å; E104-R158 PolarHBondContact O-NH2 2.67Å; N155-R158 HydrophobicContact CB-CB 4.47Å; N155-R158 WeakPolarHBondContact ND2-CG 3.48Å; N155-R158 WeakPolarHBondContact O-CB 3.22Å; N155-R158 PolarHBondContact O-N 3.26Å; N155-R158 WeakPolarHBondContact OD1-CG 3.37Å; W156-R158 PolarHBondContact O-N 2.88Å; W156-R158 VanDerWaalsContact O-N 3.07Å
159	K	97.6	Very high	93.2	Very high	21 Å²	21	30.5 Å²	30.5	9%	0.091	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-80	151.5	179.8	-66.8	-178.9	-179.2	-66.6	0	111	Q98 Y99 A153 W156 W163 I164	Q98-K159 CarbonylContact O-C 3.51Å; Q98-K159 WeakPolarHBondContact O-CA 3.27Å; Y99-K159 HydrophobicContact CD1-CG 4.48Å; Y99-K159 HydrophobicContact CE1-CG 4.28Å; A153-K159 WeakPolarHBondContact O-CE 3.09Å; W156-K159 WeakPolarHBondContact O-CB 3.09Å; W156-K159 PolarHBondContact O-N 2.6Å; K159-W163 HydrophobicContact CB-CB 4.4Å; K159-I164 HydrophobicContact CB-CD1 3.85Å
160	R	96.6	Very high	92.8	Very high	76 Å²	76	32.4 Å²	32.4	29%	0.287	16%	0.161	S	C	.	.			trans	-66.7	148.3	173.2	-50.2	167.6	169.1	-99.9	-9.3	109.8	Q98 Y99 L100 I162 W163 I164 N213	Q98-R160 WeakPolarHBondContact O-CG 3.27Å; Q98-R160 PolarHBondContact O-N 3.46Å; Y99-R160 PolarHBondContact O-NE 3.37Å; L100-R160 HydrophobicContact CD2-CB 4.25Å; L100-R160 HydrophobicContact CD2-CG 3.87Å; L100-R160 HydrophobicContact CG-CG 4.16Å; R160-I162 VanDerWaalsContact C-N 3.26Å; R160-I162 HydrophobicContact CB-CG2 4.36Å; R160-I162 PolarHBondContact O-N 3.17Å; R160-I162 VanDerWaalsContact O-N 3.08Å; R160-W163 PolarHBondContact O-N 2.94Å; R160-I164 PolarHBondContact O-N 3.22Å; R160-N213 VanDerWaalsContact CD-OD1 3.24Å; R160-N213 WeakPolarHBondContact CD-OD1 3.4Å
161	P	95.4	Very high	92.6	Very high	16 Å²	16	26.1 Å²	26.1	10%	0.104	14%	0.137	C	C	.	.	H	α-helix	trans	-48.9	-39.5	-178.8	-31.8	34.8	0	0	0	115.7	L106 H109 L110 W163 I164 V220 L224	L106-P161 HydrophobicContact CD1-CB 4.18Å; L106-P161 HydrophobicContact CD1-CG 3.61Å; H109-P161 HydrophobicContact CB-CG 3.93Å; L110-P161 HydrophobicContact CD2-CB 3.98Å; L110-P161 HydrophobicContact CD2-CG 3.91Å; L110-P161 HydrophobicContact CG-CG 4.49Å; P161-W163 VanDerWaalsContact C-N 3.3Å; P161-W163 PolarHBondContact O-N 3.04Å; P161-I164 WeakPolarHBondContact O-CB 3.47Å; P161-I164 PolarHBondContact O-N 3.01Å; P161-I164 VanDerWaalsContact O-N 3.16Å; P161-V220 HydrophobicContact CB-CG1 3.53Å; P161-L224 HydrophobicContact CB-CD2 4.34Å
162	I	92.2	Very high	92.3	Very high	7 Å²	7	24.8 Å²	24.8	4%	0.036	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-36.7	179.4	-172.8	54.5	0	0	0	112.1	R160 I164 M165 F166 L212 L215 V220 V276	R160-I162 VanDerWaalsContact C-N 3.26Å; R160-I162 HydrophobicContact CB-CG2 4.36Å; R160-I162 PolarHBondContact O-N 3.17Å; R160-I162 VanDerWaalsContact O-N 3.08Å; I162-I164 VanDerWaalsContact C-N 3.3Å; I162-I164 PolarHBondContact O-N 2.02Å; I162-M165 HydrophobicContact CD1-CE 4.4Å; I162-M165 HydrophobicContact CD1-SD 3.69Å; I162-M165 WeakPolarHBondContact O-CB 3.26Å; I162-M165 PolarHBondContact O-N 3.47Å; I162-F166 HydrophobicContact CD1-CE2 4.33Å; I162-F166 HydrophobicContact CG1-CE2 4.11Å; I162-F166 WeakPolarHBondContact O-CD2 3.4Å; I162-L212 HydrophobicContact CG1-CB 4.22Å; I162-L212 HydrophobicContact CG1-CD2 4.46Å; I162-L212 HydrophobicContact CG2-CB 4.48Å; I162-L215 HydrophobicContact CD1-CD1 3.67Å; I162-L215 HydrophobicContact CG1-CD1 3.97Å; I162-V220 HydrophobicContact CB-CG1 3.83Å; I162-V220 HydrophobicContact CB-CG2 4.49Å; I162-V220 VanDerWaalsContact N-CG1 3.32Å; I162-V276 HydrophobicContact CD1-CG2 4.38Å
163	W	94.9	Very high	91.9	Very high	34 Å²	34	26.4 Å²	26.4	13%	0.129	14%	0.137	C	C	.	.	H	α-helix	trans	-74.2	-21.9	179.2	-65.1	106.9	0	0	0	113.1	Q98 K159 R160 P161 M165 F166 L167 C209 L212 N213	Q98-W163 VanDerWaalsContact CA-CD1 3.44Å; Q98-W163 HydrophobicContact CB-CB 4.36Å; Q98-W163 HydrophobicContact CB-CD2 4.06Å; Q98-W163 HydrophobicContact CB-CG 3.87Å; Q98-W163 HydrophobicContact CG-CD2 3.58Å; Q98-W163 HydrophobicContact CG-CE3 3.8Å; Q98-W163 HydrophobicContact CG-CG 3.94Å; Q98-W163 HydrophobicContact CG-CH2 4.23Å; Q98-W163 HydrophobicContact CG-CZ2 4.06Å; Q98-W163 HydrophobicContact CG-CZ3 4.12Å; K159-W163 HydrophobicContact CB-CB 4.4Å; R160-W163 PolarHBondContact O-N 2.94Å; P161-W163 VanDerWaalsContact C-N 3.3Å; P161-W163 PolarHBondContact O-N 3.04Å; W163-M165 VanDerWaalsContact C-N 3.27Å; W163-M165 PolarHBondContact O-N 3.11Å; W163-F166 AromaticContact CE3-CD2 3.95Å; W163-F166 HydrophobicContact CE3-CD2 3.95Å; W163-F166 HydrophobicContact CE3-CE2 4.36Å; W163-F166 HydrophobicContact CE3-CG 4.48Å; W163-F166 HydrophobicContact CZ3-CD2 4.48Å; W163-F166 PolarHBondContact O-N 3.15Å; W163-L167 PolarHBondContact O-N 3.49Å; W163-C209 HydrophobicContact CZ2-CB 4.49Å; W163-L212 HydrophobicContact CH2-CD1 3.41Å; W163-L212 VanDerWaalsContact CH2-CD1 3.41Å; W163-L212 HydrophobicContact CZ2-CB 4.35Å; W163-L212 HydrophobicContact CZ2-CD1 3.66Å; W163-L212 HydrophobicContact CZ3-CD1 3.9Å; W163-N213 PolarHBondContact NE1-OD1 3.32Å
164	I	95.9	Very high	91.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-34.6	171.3	-56.3	-59.3	0	0	0	110.8	L106 L118 W156 K159 R160 P161 I162 F166 L167 L168 L224	L106-I164 HydrophobicContact CD1-CG1 4.2Å; L106-I164 HydrophobicContact CD2-CD1 3.86Å; L106-I164 HydrophobicContact CD2-CG1 3.72Å; L118-I164 HydrophobicContact CD1-CG2 3.86Å; L118-I164 HydrophobicContact CD2-CG2 3.79Å; L118-I164 HydrophobicContact CG-CG2 4.48Å; W156-I164 HydrophobicContact CB-CD1 4.41Å; W156-I164 HydrophobicContact CE3-CD1 4.27Å; W156-I164 WeakPolarHBondContact O-CD1 3.46Å; K159-I164 HydrophobicContact CB-CD1 3.85Å; R160-I164 PolarHBondContact O-N 3.22Å; P161-I164 WeakPolarHBondContact O-CB 3.47Å; P161-I164 PolarHBondContact O-N 3.01Å; P161-I164 VanDerWaalsContact O-N 3.16Å; I162-I164 VanDerWaalsContact C-N 3.3Å; I162-I164 PolarHBondContact O-N 2.02Å; I164-F166 PolarHBondContact O-N 2.67Å; I164-L167 WeakPolarHBondContact O-CB 3.24Å; I164-L167 PolarHBondContact O-N 3.41Å; I164-L168 HydrophobicContact CG2-CD1 4.1Å; I164-L168 HydrophobicContact CG2-CG 4.14Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.47Å; I164-L168 PolarHBondContact O-N 3.26Å; I164-L224 HydrophobicContact CB-CD1 3.97Å; I164-L224 HydrophobicContact CG2-CD1 3.66Å
165	M	90.4	Very high	90.9	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-62.2	-45.1	177.6	-63.9	168.4	56.6	0	0	112	I162 W163 L167 L168 N169 A223 L224 T227 V276	I162-M165 HydrophobicContact CD1-CE 4.4Å; I162-M165 HydrophobicContact CD1-SD 3.69Å; I162-M165 WeakPolarHBondContact O-CB 3.26Å; I162-M165 PolarHBondContact O-N 3.47Å; W163-M165 VanDerWaalsContact C-N 3.27Å; W163-M165 PolarHBondContact O-N 3.11Å; M165-L167 VanDerWaalsContact C-N 3.34Å; M165-L168 PolarHBondContact O-N 2.79Å; M165-N169 VanDerWaalsContact O-CG 3.27Å; M165-N169 PolarHBondContact O-N 2.78Å; M165-N169 VanDerWaalsContact O-N 3.1Å; M165-N169 PolarHBondContact O-ND2 3.36Å; M165-A223 HydrophobicContact CE-CB 3.49Å; M165-A223 VanDerWaalsContact CE-CB 3.49Å; M165-A223 HydrophobicContact SD-CB 3.74Å; M165-L224 HydrophobicContact CG-CB 4.01Å; M165-L224 HydrophobicContact CG-CD1 3.8Å; M165-L224 HydrophobicContact SD-CB 4.31Å; M165-T227 HydrophobicContact CB-CG2 4.17Å; M165-T227 WeakPolarHBondContact CE-OG1 3.42Å; M165-T227 HydrophobicContact CG-CG2 4.43Å; M165-V276 HydrophobicContact CE-CB 4.24Å; M165-V276 HydrophobicContact CE-CG1 3.44Å; M165-V276 VanDerWaalsContact CE-CG1 3.44Å; M165-V276 HydrophobicContact CE-CG2 4.04Å
166	F	88.6	Confident	90.5	Very high	37 Å²	37	28.1 Å²	28.1	16%	0.162	14%	0.142	C	C	.	.	H	α-helix	trans	-64.2	-41.1	175	-62.7	-90.1	0	0	0	111.3	I162 W163 I164 N169 S170 L212 Q275 V276	I162-F166 HydrophobicContact CD1-CE2 4.33Å; I162-F166 HydrophobicContact CG1-CE2 4.11Å; I162-F166 WeakPolarHBondContact O-CD2 3.4Å; W163-F166 AromaticContact CE3-CD2 3.95Å; W163-F166 HydrophobicContact CE3-CD2 3.95Å; W163-F166 HydrophobicContact CE3-CE2 4.36Å; W163-F166 HydrophobicContact CE3-CG 4.48Å; W163-F166 HydrophobicContact CZ3-CD2 4.48Å; W163-F166 PolarHBondContact O-N 3.15Å; I164-F166 PolarHBondContact O-N 2.67Å; F166-N169 PolarHBondContact O-N 2.93Å; F166-S170 WeakPolarHBondContact O-CB 3.07Å; F166-S170 PolarHBondContact O-N 2.93Å; F166-L212 HydrophobicContact CE2-CD1 4.01Å; F166-L212 HydrophobicContact CE2-CD2 4.12Å; F166-L212 HydrophobicContact CZ-CD1 3.89Å; F166-L212 HydrophobicContact CZ-CD2 3.77Å; F166-L212 HydrophobicContact CZ-CG 4.49Å; F166-Q275 HydrophobicContact CD1-CB 3.99Å; F166-Q275 HydrophobicContact CE1-CB 3.75Å; F166-V276 HydrophobicContact CE2-CG2 4.4Å; F166-V276 HydrophobicContact CZ-CG2 3.98Å
167	L	92.9	Very high	89.9	Confident	14 Å²	14	33.9 Å²	33.9	7%	0.073	17%	0.169	C	C	.	.	H	α-helix	trans	-58.6	-53	175.7	174.8	58.4	0	0	0	110.9	M122 A153 W156 W163 I164 M165 N169 S170 L171	M122-L167 HydrophobicContact CE-CD2 4.05Å; A153-L167 HydrophobicContact CB-CD1 4.29Å; A153-L167 HydrophobicContact CB-CD2 4.14Å; W156-L167 HydrophobicContact CB-CD2 3.64Å; W163-L167 PolarHBondContact O-N 3.49Å; I164-L167 WeakPolarHBondContact O-CB 3.24Å; I164-L167 PolarHBondContact O-N 3.41Å; M165-L167 VanDerWaalsContact C-N 3.34Å; L167-N169 VanDerWaalsContact C-N 3.32Å; L167-N169 PolarHBondContact O-N 3.24Å; L167-S170 CarbonylContact O-C 3.54Å; L167-S170 WeakPolarHBondContact O-CA 3.48Å; L167-S170 WeakPolarHBondContact O-CB 3.28Å; L167-S170 PolarHBondContact O-N 3.1Å; L167-S170 PolarHBondContact O-OG 3.02Å; L167-L171 HydrophobicContact CD1-CD1 4.11Å; L167-L171 HydrophobicContact CD1-CD2 4.15Å; L167-L171 HydrophobicContact CD1-CG 4.02Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.35Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 2.96Å; L167-L171 VanDerWaalsContact O-N 3.09Å
168	L	91.2	Very high	89.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-54.7	-47.4	178.5	-70.4	173	0	0	0	111.8	L118 M122 I164 M165 S170 L171 L224 T227 L228 N231	L118-L168 HydrophobicContact CD1-CD1 4.15Å; L118-L168 HydrophobicContact CD1-CD2 4.06Å; L118-L168 HydrophobicContact CD1-CG 4.48Å; M122-L168 HydrophobicContact SD-CD2 4.03Å; I164-L168 HydrophobicContact CG2-CD1 4.1Å; I164-L168 HydrophobicContact CG2-CG 4.14Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.47Å; I164-L168 PolarHBondContact O-N 3.26Å; M165-L168 PolarHBondContact O-N 2.79Å; L168-S170 PolarHBondContact O-N 3.28Å; L168-S170 VanDerWaalsContact O-N 3.17Å; L168-L171 HydrophobicContact CD2-CD1 4.49Å; L168-L171 PolarHBondContact O-N 3.36Å; L168-L224 HydrophobicContact CD1-CD1 3.87Å; L168-T227 HydrophobicContact CB-CG2 4.18Å; L168-T227 HydrophobicContact CD1-CG2 4.2Å; L168-L228 HydrophobicContact CD1-CB 4.16Å; L168-L228 HydrophobicContact CD1-CD1 4.18Å; L168-L228 HydrophobicContact CD2-CD1 4.38Å; L168-N231 PolarHBondContact O-OD1 3.08Å
169	N	85.2	Confident	88.7	Confident	28 Å²	28	37 Å²	37	15%	0.15	18%	0.181	C	C	.	.	H	α-helix	trans	-64.3	-23	178.9	-66.2	-16.9	0	0	0	113	M165 F166 L167 N172 T227 N231 I248 Q275	M165-N169 VanDerWaalsContact O-CG 3.27Å; M165-N169 PolarHBondContact O-N 2.78Å; M165-N169 VanDerWaalsContact O-N 3.1Å; M165-N169 PolarHBondContact O-ND2 3.36Å; F166-N169 PolarHBondContact O-N 2.93Å; L167-N169 VanDerWaalsContact C-N 3.32Å; L167-N169 PolarHBondContact O-N 3.24Å; N169-N172 PolarHBondContact O-ND2 3.31Å; N169-T227 VanDerWaalsContact OD1-CG2 3.31Å; N169-T227 WeakPolarHBondContact OD1-CG2 3.37Å; N169-N231 PolarHBondContact OD1-ND2 2.84Å; N169-I248 HydrophobicContact CB-CD1 4.24Å; N169-I248 HydrophobicContact CB-CG2 4.4Å; N169-I248 WeakPolarHBondContact OD1-CD1 3.22Å; N169-Q275 PolarHBondContact ND2-O 3.32Å
170	S	85.3	Confident	88.2	Confident	46 Å²	46	39.6 Å²	39.6	32%	0.322	21%	0.214	S	C	.	.	H	α-helix	trans	-87.7	-13.3	175.3	79	0	0	0	0	114.3	F166 L167 L168 N172 S175	F166-S170 WeakPolarHBondContact O-CB 3.07Å; F166-S170 PolarHBondContact O-N 2.93Å; L167-S170 CarbonylContact O-C 3.54Å; L167-S170 WeakPolarHBondContact O-CA 3.48Å; L167-S170 WeakPolarHBondContact O-CB 3.28Å; L167-S170 PolarHBondContact O-N 3.1Å; L167-S170 PolarHBondContact O-OG 3.02Å; L168-S170 PolarHBondContact O-N 3.28Å; L168-S170 VanDerWaalsContact O-N 3.17Å; S170-N172 VanDerWaalsContact C-N 3.32Å; S170-N172 PolarHBondContact O-N 3.18Å; S170-S175 WeakPolarHBondContact O-CB 3.47Å; S170-S175 PolarHBondContact O-OG 2.91Å
171	L	87.9	Confident	88.1	Confident	9 Å²	9	38.7 Å²	38.7	5%	0.047	21%	0.214	C	C	.	.			trans	-84.7	72.7	-177.8	-70.7	171	0	0	0	111.1	M122 V125 W132 V152 L167 L168	M122-L171 HydrophobicContact CE-CD1 3.81Å; M122-L171 HydrophobicContact SD-CD1 3.78Å; V125-L171 HydrophobicContact CG1-CB 4.21Å; V125-L171 HydrophobicContact CG1-CD1 4.15Å; V125-L171 HydrophobicContact CG1-CD2 4.05Å; V125-L171 HydrophobicContact CG1-CG 4.35Å; W132-L171 WeakPolarHBondContact CH2-O 3.27Å; V152-L171 HydrophobicContact CG1-CD2 3.48Å; V152-L171 VanDerWaalsContact CG1-CD2 3.48Å; L167-L171 HydrophobicContact CD1-CD1 4.11Å; L167-L171 HydrophobicContact CD1-CD2 4.15Å; L167-L171 HydrophobicContact CD1-CG 4.02Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.35Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 2.96Å; L167-L171 VanDerWaalsContact O-N 3.09Å; L168-L171 HydrophobicContact CD2-CD1 4.49Å; L168-L171 PolarHBondContact O-N 3.36Å
172	N	82.8	Confident	88.1	Confident	20 Å²	20	39.3 Å²	39.3	11%	0.107	22%	0.218	C	C	.	.	S	Bend	trans	-143.9	162.1	176.4	70.5	76.7	0	0	0	111.6	N169 S170 R174 S175 V176 I249	N169-N172 PolarHBondContact O-ND2 3.31Å; S170-N172 VanDerWaalsContact C-N 3.32Å; S170-N172 PolarHBondContact O-N 3.18Å; N172-R174 VanDerWaalsContact C-N 3.35Å; N172-R174 PolarHBondContact O-N 2.62Å; N172-R174 PolarHBondContact OD1-N 3.35Å; N172-R174 VanDerWaalsContact OD1-N 3.16Å; N172-S175 PolarHBondContact ND2-OG 2.8Å; N172-S175 PolarHBondContact O-N 2.78Å; N172-S175 PolarHBondContact OD1-N 3.04Å; N172-V176 WeakPolarHBondContact O-CG2 3.21Å; N172-V176 PolarHBondContact O-N 3.45Å; N172-I249 HydrophobicContact CB-CD1 4Å; N172-I249 HydrophobicContact CB-CG1 4.39Å
173	P	82.6	Confident	88.2	Confident	58 Å²	58	41.3 Å²	41.3	38%	0.377	23%	0.23	S	C	.	.	H	α-helix	trans	-54.9	-44.7	-174.8	-27.3	33.3	0	0	0	114.5	W132 V176 E177	W132-P173 HydrophobicContact CB-CB 4.13Å; W132-P173 HydrophobicContact CB-CG 4.39Å; W132-P173 HydrophobicContact CD2-CB 4.48Å; W132-P173 HydrophobicContact CD2-CG 3.91Å; W132-P173 HydrophobicContact CG-CB 4.07Å; W132-P173 HydrophobicContact CG-CG 3.78Å; P173-V176 PolarHBondContact O-N 2.86Å; P173-E177 WeakPolarHBondContact O-CB 3.24Å; P173-E177 PolarHBondContact O-N 3.12Å
174	R	81.3	Confident	88.3	Confident	57 Å²	57	39.7 Å²	39.7	22%	0.215	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-43	-178.3	-178.4	176.2	177.5	-173.2	-2.3	112.3	E60 N172 V176 E177 N178	E60-R174 IonicContact OE1-CZ 3.89Å; E60-R174 IonicContact OE1-NE 3Å; E60-R174 PolarHBondContact OE1-NE 3.21Å; E60-R174 IonicContact OE1-NH2 2.72Å; E60-R174 PolarHBondContact OE1-NH2 2.87Å; E60-R174 IonicContact OE2-CZ 3.34Å; E60-R174 IonicContact OE2-NH2 3.73Å; E60-R174 PolarHBondContact OE2-NH2 2.8Å; N172-R174 VanDerWaalsContact C-N 3.35Å; N172-R174 PolarHBondContact O-N 2.62Å; N172-R174 PolarHBondContact OD1-N 3.35Å; N172-R174 VanDerWaalsContact OD1-N 3.16Å; R174-V176 VanDerWaalsContact C-N 3.29Å; R174-V176 PolarHBondContact O-N 3.35Å; R174-E177 PolarHBondContact O-N 2.92Å; R174-N178 WeakPolarHBondContact O-CB 2.99Å; R174-N178 PolarHBondContact O-N 3.1Å; R174-N178 PolarHBondContact O-ND2 3.41Å
175	S	82.9	Confident	88.3	Confident	52 Å²	52	40.1 Å²	40.1	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-65.2	-34.7	176.8	-70.8	0	0	0	0	112.3	S170 N172 R179	S170-S175 WeakPolarHBondContact O-CB 3.47Å; S170-S175 PolarHBondContact O-OG 2.91Å; N172-S175 PolarHBondContact ND2-OG 2.8Å; N172-S175 PolarHBondContact O-N 2.78Å; N172-S175 PolarHBondContact OD1-N 3.04Å; S175-R179 PolarHBondContact O-N 3.11Å
176	V	84.9	Confident	88.6	Confident	12 Å²	12	42.1 Å²	42.1	7%	0.073	24%	0.237	C	C	.	.	H	α-helix	trans	-73.3	-40.1	176.2	172.8	0	0	0	0	111.5	L129 W132 T133 V152 N172 P173 R174 R179	L129-V176 HydrophobicContact CD2-CG1 4.34Å; L129-V176 HydrophobicContact CD2-CG2 3.74Å; W132-V176 HydrophobicContact CE3-CG2 3.94Å; W132-V176 HydrophobicContact CZ3-CG2 4.41Å; T133-V176 HydrophobicContact CG2-CG1 3.91Å; V152-V176 HydrophobicContact CG1-CG2 4.43Å; N172-V176 WeakPolarHBondContact O-CG2 3.21Å; N172-V176 PolarHBondContact O-N 3.45Å; P173-V176 PolarHBondContact O-N 2.86Å; R174-V176 VanDerWaalsContact C-N 3.29Å; R174-V176 PolarHBondContact O-N 3.35Å; V176-R179 WeakPolarHBondContact O-CB 3.33Å; V176-R179 PolarHBondContact O-N 3.34Å
177	E	84.4	Confident	89	Confident	132 Å²	132	41.8 Å²	41.8	62%	0.617	24%	0.235	S	C	*	.	H	α-helix	trans	-62.8	-42.4	174.6	-177	174.9	-151.7	0	0	111.8	P173 R174 R179	P173-E177 WeakPolarHBondContact O-CB 3.24Å; P173-E177 PolarHBondContact O-N 3.12Å; R174-E177 PolarHBondContact O-N 2.92Å; E177-R179 PolarHBondContact O-N 3.43Å
178	N	86.1	Confident	89.3	Confident	31 Å²	31	41.1 Å²	41.1	17%	0.166	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	3	177.5	-76.1	-27.9	0	0	0	113.8	P57 E60 R174 G180 I181	P57-N178 HydrophobicContact CG-CB 3.78Å; E60-N178 PolarHBondContact OE1-ND2 2.89Å; R174-N178 WeakPolarHBondContact O-CB 2.99Å; R174-N178 PolarHBondContact O-N 3.1Å; R174-N178 PolarHBondContact O-ND2 3.41Å; N178-G180 PolarHBondContact O-N 3.39Å; N178-I181 HydrophobicContact CB-CD1 4.42Å; N178-I181 WeakPolarHBondContact O-CB 3.39Å; N178-I181 WeakPolarHBondContact O-CG1 3.49Å; N178-I181 PolarHBondContact O-N 3.45Å
179	R	84.1	Confident	89.6	Confident	125 Å²	125	41.1 Å²	41.1	47%	0.472	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	136.4	-178.4	-177.4	-178.1	169.1	84.3	5.6	110.8	S151 S175 V176 E177 I181	S151-R179 PolarHBondContact O-NH1 3.28Å; S151-R179 PolarHBondContact O-NH2 3.11Å; S151-R179 PolarHBondContact OG-NH2 2.9Å; S175-R179 PolarHBondContact O-N 3.11Å; V176-R179 WeakPolarHBondContact O-CB 3.33Å; V176-R179 PolarHBondContact O-N 3.34Å; E177-R179 PolarHBondContact O-N 3.43Å; R179-I181 PolarHBondContact O-N 2.91Å
180	G	87.3	Confident	90.2	Very high	76 Å²	76	42.8 Å²	42.8	78%	0.784	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	-11.5	-178.8	0	0	0	0	0	113.7	N178 P182	N178-G180 PolarHBondContact O-N 3.39Å; G180-P182 WeakPolarHBondContact O-CD 3.45Å
181	I	93.2	Very high	90.8	Very high	57 Å²	57	42.5 Å²	42.5	29%	0.292	23%	0.232	S	C	.	.	S	Bend	trans	-76.3	125	168	-52.4	-179.7	0	0	0	108.1	P57 Y58 T59 N178 R179 V183	P57-I181 HydrophobicContact CB-CB 4.21Å; P57-I181 HydrophobicContact CB-CG2 3.81Å; Y58-I181 HydrophobicContact CD1-CG2 3.96Å; Y58-I181 HydrophobicContact CE1-CG2 3.91Å; T59-I181 HydrophobicContact CG2-CG2 4Å; N178-I181 HydrophobicContact CB-CD1 4.42Å; N178-I181 WeakPolarHBondContact O-CB 3.39Å; N178-I181 WeakPolarHBondContact O-CG1 3.49Å; N178-I181 PolarHBondContact O-N 3.45Å; R179-I181 PolarHBondContact O-N 2.91Å; I181-V183 PolarHBondContact O-N 3.34Å
182	P	95.6	Very high	91.3	Very high	30 Å²	30	42 Å²	42	20%	0.195	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-57.1	137.3	175.4	-26.4	35.2	0	0	0	112.1	P57 Y58 G180 L186	P57-P182 WeakPolarHBondContact CA-O 3.47Å; Y58-P182 HydrophobicContact CD1-CB 4.28Å; Y58-P182 WeakPolarHBondContact CD1-O 3.49Å; Y58-P182 PolarHBondContact N-O 2.98Å; G180-P182 WeakPolarHBondContact O-CD 3.45Å; P182-L186 HydrophobicContact CB-CB 4.36Å; P182-L186 HydrophobicContact CB-CD2 4.12Å; P182-L186 HydrophobicContact CB-CG 4.19Å
183	V	95	Very high	92	Very high	48 Å²	48	47.8 Å²	47.8	29%	0.291	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-65.3	156.8	164.2	-63	0	0	0	0	110.1	V56 I181 D185 L186 Y187	V56-V183 CarbonylContact O-C 3.55Å; V56-V183 VanDerWaalsContact O-CA 3.27Å; V56-V183 WeakPolarHBondContact O-CA 3.29Å; I181-V183 PolarHBondContact O-N 3.34Å; V183-D185 HydrophobicContact CG2-CB 4.45Å; V183-D185 PolarHBondContact O-N 3.03Å; V183-D185 VanDerWaalsContact O-N 3.14Å; V183-L186 HydrophobicContact CG2-CB 4.1Å; V183-L186 PolarHBondContact O-N 3.22Å; V183-L186 VanDerWaalsContact O-N 3.1Å; V183-Y187 PolarHBondContact O-N 3.35Å
184	L	96.4	Very high	92.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-50.7	-40.9	-177.2	179.8	60.6	0	0	0	112.7	F51 T53 V56 V61 W62 Y187 L188	F51-L184 HydrophobicContact CE1-CD2 4.36Å; T53-L184 HydrophobicContact CG2-CD2 4.27Å; V56-L184 PolarHBondContact O-N 2.79Å; V61-L184 HydrophobicContact CG2-CB 4.43Å; V61-L184 HydrophobicContact CG2-CD1 4.4Å; V61-L184 HydrophobicContact CG2-CD2 4Å; W62-L184 HydrophobicContact CE3-CD1 3.95Å; L184-Y187 HydrophobicContact CD1-CD1 4.45Å; L184-Y187 PolarHBondContact O-N 2.85Å; L184-L188 HydrophobicContact CD1-CD1 4.48Å; L184-L188 HydrophobicContact CD1-CG 4.25Å; L184-L188 HydrophobicContact CG-CD1 4.32Å; L184-L188 HydrophobicContact CG-CG 4.49Å; L184-L188 WeakPolarHBondContact O-CG 3.02Å; L184-L188 PolarHBondContact O-N 3.24Å
185	D	96.3	Very high	93.5	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.053	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-46.8	-179.4	-50.4	-91.7	0	0	0	112.1	T53 H55 L81 L85 V183 L188 A189	T53-D185 WeakPolarHBondContact CB-OD1 3.44Å; T53-D185 PolarHBondContact OG1-OD1 3.14Å; H55-D185 IonicContact CD2-OD2 3.21Å; L81-D185 WeakPolarHBondContact CD1-O 3.21Å; L85-D185 HydrophobicContact CD1-CB 4.37Å; V183-D185 HydrophobicContact CG2-CB 4.45Å; V183-D185 PolarHBondContact O-N 3.03Å; V183-D185 VanDerWaalsContact O-N 3.14Å; D185-L188 PolarHBondContact O-N 2.96Å; D185-A189 PolarHBondContact O-N 2.8Å
186	L	96.4	Very high	94.2	Very high	42 Å²	42	52.4 Å²	52.4	22%	0.22	29%	0.291	C	S	.	.	H	α-helix	trans	-67	-40	175.3	175.9	59.7	0	0	0	111.2	L85 P182 V183 L188 A189 Q190	L85-L186 HydrophobicContact CB-CB 4.36Å; L85-L186 HydrophobicContact CB-CD1 3.81Å; L85-L186 HydrophobicContact CD1-CB 4.26Å; P182-L186 HydrophobicContact CB-CB 4.36Å; P182-L186 HydrophobicContact CB-CD2 4.12Å; P182-L186 HydrophobicContact CB-CG 4.19Å; V183-L186 HydrophobicContact CG2-CB 4.1Å; V183-L186 PolarHBondContact O-N 3.22Å; V183-L186 VanDerWaalsContact O-N 3.1Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-L188 PolarHBondContact O-N 3.16Å; L186-A189 WeakPolarHBondContact O-CB 3.47Å; L186-A189 PolarHBondContact O-N 3.01Å; L186-Q190 HydrophobicContact CD1-CG 4.3Å; L186-Q190 WeakPolarHBondContact O-CG 3.01Å; L186-Q190 PolarHBondContact O-N 3.37Å
187	Y	98	Very high	94.8	Very high	30 Å²	30	52.7 Å²	52.7	12%	0.118	29%	0.292	C	S	.	.	H	α-helix	trans	-59.8	-43.9	175.8	175.7	-101.3	0	0	0	111.5	Y58 W62 V183 L184 A189 Q190 Q191	Y58-Y187 AromaticContact CD1-CD2 3.88Å; Y58-Y187 HydrophobicContact CD1-CD2 3.88Å; Y58-Y187 HydrophobicContact CD1-CG 4.06Å; Y58-Y187 AromaticContact CD2-CD1 3.99Å; Y58-Y187 HydrophobicContact CD2-CD1 3.99Å; Y58-Y187 AromaticContact CD2-CD2 3.72Å; Y58-Y187 HydrophobicContact CD2-CD2 3.72Å; Y58-Y187 HydrophobicContact CD2-CE1 4.04Å; Y58-Y187 AromaticContact CD2-CE2 3.77Å; Y58-Y187 HydrophobicContact CD2-CE2 3.77Å; Y58-Y187 AromaticContact CD2-CG 3.83Å; Y58-Y187 HydrophobicContact CD2-CG 3.83Å; Y58-Y187 AromaticContact CD2-CZ 3.92Å; Y58-Y187 HydrophobicContact CE1-CD2 4.08Å; Y58-Y187 AromaticContact CE2-CD2 3.94Å; Y58-Y187 HydrophobicContact CE2-CD2 3.94Å; Y58-Y187 AromaticContact CE2-CE2 3.68Å; Y58-Y187 HydrophobicContact CE2-CE2 3.68Å; Y58-Y187 HydrophobicContact CG-CD1 4.05Å; Y58-Y187 AromaticContact CG-CD2 3.7Å; Y58-Y187 HydrophobicContact CG-CD2 3.7Å; Y58-Y187 HydrophobicContact CG-CE2 4.24Å; Y58-Y187 AromaticContact CG-CG 3.59Å; Y58-Y187 HydrophobicContact CG-CG 3.59Å; W62-Y187 AromaticContact CD1-CE1 3.91Å; W62-Y187 HydrophobicContact CD2-CD1 4.37Å; W62-Y187 AromaticContact CD2-CE1 3.67Å; W62-Y187 HydrophobicContact CD2-CE1 3.67Å; W62-Y187 AromaticContact CE2-CE1 3.54Å; W62-Y187 HydrophobicContact CE3-CE1 4.19Å; W62-Y187 AromaticContact CG-CE1 3.91Å; W62-Y187 HydrophobicContact CG-CE1 3.91Å; W62-Y187 HydrophobicContact CH2-CE1 4.44Å; W62-Y187 AromaticContact CZ2-CE1 3.96Å; W62-Y187 HydrophobicContact CZ2-CE1 3.96Å; W62-Y187 AromaticContact NE1-CE1 3.67Å; W62-Y187 AromaticContact NE1-CZ 3.83Å; W62-Y187 PolarHBondContact NE1-OH 3.42Å; V183-Y187 PolarHBondContact O-N 3.35Å; L184-Y187 HydrophobicContact CD1-CD1 4.45Å; L184-Y187 PolarHBondContact O-N 2.85Å; Y187-A189 VanDerWaalsContact C-N 3.35Å; Y187-A189 PolarHBondContact O-N 2.88Å; Y187-Q190 WeakPolarHBondContact O-CB 3.45Å; Y187-Q190 PolarHBondContact O-N 3.05Å; Y187-Q191 HydrophobicContact CD1-CG 4.09Å; Y187-Q191 HydrophobicContact CD2-CG 4.45Å; Y187-Q191 HydrophobicContact CE1-CG 3.61Å; Y187-Q191 HydrophobicContact CE2-CG 4.03Å; Y187-Q191 VanDerWaalsContact CE2-NE2 3.3Å; Y187-Q191 HydrophobicContact CG-CG 4.49Å; Y187-Q191 WeakPolarHBondContact O-CG 3.21Å; Y187-Q191 PolarHBondContact O-N 3.31Å
188	L	98.3	Very high	95.5	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-39.9	174.8	-71	176.3	0	0	0	112.2	F51 T53 W62 F73 L81 L184 D185 L186 Q190 Q191 A192 A351	F51-L188 HydrophobicContact CD1-CD1 4.2Å; F51-L188 HydrophobicContact CE1-CD1 4.18Å; T53-L188 HydrophobicContact CG2-CD1 3.84Å; W62-L188 HydrophobicContact CH2-CD2 4.08Å; W62-L188 HydrophobicContact CZ3-CD2 3.82Å; F73-L188 HydrophobicContact CD2-CD2 4.09Å; F73-L188 HydrophobicContact CE2-CB 4.25Å; F73-L188 HydrophobicContact CE2-CD2 3.89Å; F73-L188 HydrophobicContact CZ-CD2 4.34Å; F73-L188 WeakPolarHBondContact CZ-O 3.48Å; L81-L188 HydrophobicContact CD2-CB 4.27Å; L184-L188 HydrophobicContact CD1-CD1 4.48Å; L184-L188 HydrophobicContact CD1-CG 4.25Å; L184-L188 HydrophobicContact CG-CD1 4.32Å; L184-L188 HydrophobicContact CG-CG 4.49Å; L184-L188 WeakPolarHBondContact O-CG 3.02Å; L184-L188 PolarHBondContact O-N 3.24Å; D185-L188 PolarHBondContact O-N 2.96Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-L188 PolarHBondContact O-N 3.16Å; L188-Q190 VanDerWaalsContact C-N 3.33Å; L188-Q190 PolarHBondContact O-N 2.71Å; L188-Q191 PolarHBondContact O-N 2.7Å; L188-A192 WeakPolarHBondContact O-CB 3.3Å; L188-A192 PolarHBondContact O-N 2.86Å; L188-A351 HydrophobicContact CD1-CB 4Å
189	A	98	Very high	96.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.8	-45.7	173.9	0	0	0	0	0	111.4	L81 N86 D185 L186 Y187 A192 F193 L199	L81-A189 HydrophobicContact CD1-CB 3.53Å; N86-A189 HydrophobicContact CB-CB 3.98Å; D185-A189 PolarHBondContact O-N 2.8Å; L186-A189 WeakPolarHBondContact O-CB 3.47Å; L186-A189 PolarHBondContact O-N 3.01Å; Y187-A189 VanDerWaalsContact C-N 3.35Å; Y187-A189 PolarHBondContact O-N 2.88Å; A189-A192 PolarHBondContact O-N 3.13Å; A189-F193 PolarHBondContact O-N 3.1Å; A189-L199 HydrophobicContact CB-CD2 3.88Å
190	Q	98.1	Very high	96.7	Very high	63 Å²	63	45.2 Å²	45.2	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-41.6	177.2	-70	170.8	-16.1	0	0	111.9	L186 Y187 L188 A192 F193 V194	L186-Q190 HydrophobicContact CD1-CG 4.3Å; L186-Q190 WeakPolarHBondContact O-CG 3.01Å; L186-Q190 PolarHBondContact O-N 3.37Å; Y187-Q190 WeakPolarHBondContact O-CB 3.45Å; Y187-Q190 PolarHBondContact O-N 3.05Å; L188-Q190 VanDerWaalsContact C-N 3.33Å; L188-Q190 PolarHBondContact O-N 2.71Å; Q190-A192 VanDerWaalsContact C-N 3.34Å; Q190-A192 PolarHBondContact O-N 2.97Å; Q190-F193 PolarHBondContact O-N 2.89Å; Q190-V194 WeakPolarHBondContact O-CG2 3.23Å; Q190-V194 PolarHBondContact O-N 3.07Å
191	Q	98	Very high	97.2	Very high	39 Å²	39	43.8 Å²	43.8	18%	0.182	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-39.4	176.3	-69.8	-51.1	-57.9	0	0	111.9	F73 Y74 Y187 L188 S195	F73-Q191 HydrophobicContact CE1-CB 3.77Å; F73-Q191 HydrophobicContact CZ-CB 3.83Å; Y74-Q191 PolarHBondContact OH-OE1 3.36Å; Y187-Q191 HydrophobicContact CD1-CG 4.09Å; Y187-Q191 HydrophobicContact CD2-CG 4.45Å; Y187-Q191 HydrophobicContact CE1-CG 3.61Å; Y187-Q191 HydrophobicContact CE2-CG 4.03Å; Y187-Q191 VanDerWaalsContact CE2-NE2 3.3Å; Y187-Q191 HydrophobicContact CG-CG 4.49Å; Y187-Q191 WeakPolarHBondContact O-CG 3.21Å; Y187-Q191 PolarHBondContact O-N 3.31Å; L188-Q191 PolarHBondContact O-N 2.7Å; Q191-S195 WeakPolarHBondContact O-CB 3.33Å; Q191-S195 PolarHBondContact O-N 3.07Å; Q191-S195 PolarHBondContact O-OG 3.11Å
192	A	98.2	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-46.4	175.5	0	0	0	0	0	110.5	F73 V79 L188 A189 Q190 S195 S196 I197 L199	F73-A192 HydrophobicContact CZ-CB 3.99Å; V79-A192 HydrophobicContact CB-CB 4.15Å; V79-A192 HydrophobicContact CG1-CB 4.35Å; V79-A192 HydrophobicContact CG2-CB 4.24Å; L188-A192 WeakPolarHBondContact O-CB 3.3Å; L188-A192 PolarHBondContact O-N 2.86Å; A189-A192 PolarHBondContact O-N 3.13Å; Q190-A192 VanDerWaalsContact C-N 3.34Å; Q190-A192 PolarHBondContact O-N 2.97Å; A192-S195 CarbonylContact O-C 3.51Å; A192-S195 PolarHBondContact O-N 2.91Å; A192-S196 PolarHBondContact O-N 3.25Å; A192-S196 VanDerWaalsContact O-N 3.12Å; A192-I197 HydrophobicContact CB-CB 4.24Å; A192-I197 PolarHBondContact O-N 3.4Å; A192-L199 HydrophobicContact CB-CD1 4.3Å
193	F	97.1	Very high	97.6	Very high	140 Å²	140	40.1 Å²	40.1	61%	0.614	23%	0.233	S	C	*	.	H	α-helix	trans	-59.2	-52.7	177.3	179.4	-97.7	0	0	0	112.7	A189 Q190 S195 S196	A189-F193 PolarHBondContact O-N 3.1Å; Q190-F193 PolarHBondContact O-N 2.89Å; F193-S195 PolarHBondContact O-N 2.92Å; F193-S196 PolarHBondContact O-N 3.38Å
194	V	97.6	Very high	97.7	Very high	108 Å²	108	40.6 Å²	40.6	66%	0.655	24%	0.236	S	C	*	.	H	α-helix	trans	-62.2	-33.3	179	172.6	0	0	0	0	111.6	Q190 S196	Q190-V194 WeakPolarHBondContact O-CG2 3.23Å; Q190-V194 PolarHBondContact O-N 3.07Å; V194-S196 PolarHBondContact O-N 2.97Å
195	S	97.8	Very high	97.7	Very high	49 Å²	49	41.7 Å²	41.7	34%	0.343	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	4.9	177.3	-53.8	0	0	0	0	113.7	Y74 Q191 A192 F193 I197	Y74-S195 WeakPolarHBondContact CE1-OG 3.39Å; Q191-S195 WeakPolarHBondContact O-CB 3.33Å; Q191-S195 PolarHBondContact O-N 3.07Å; Q191-S195 PolarHBondContact O-OG 3.11Å; A192-S195 CarbonylContact O-C 3.51Å; A192-S195 PolarHBondContact O-N 2.91Å; F193-S195 PolarHBondContact O-N 2.92Å; S195-I197 PolarHBondContact O-N 3.34Å
196	S	97.8	Very high	97.8	Very high	107 Å²	107	47.9 Å²	47.9	75%	0.748	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	29.9	-175	-57.1	0	0	0	0	114.1	A192 F193 V194 P198	A192-S196 PolarHBondContact O-N 3.25Å; A192-S196 VanDerWaalsContact O-N 3.12Å; F193-S196 PolarHBondContact O-N 3.38Å; V194-S196 PolarHBondContact O-N 2.97Å; S196-P198 WeakPolarHBondContact O-CD 3.35Å
197	I	98.2	Very high	97.8	Very high	18 Å²	18	47.5 Å²	47.5	9%	0.092	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-84.9	123.5	174.4	-56.6	171.1	0	0	0	107.8	F73 Y74 V79 A192 S195 L199	F73-I197 HydrophobicContact CE1-CD1 4.32Å; Y74-I197 HydrophobicContact CD1-CD1 4.49Å; V79-I197 HydrophobicContact CB-CG2 4.3Å; V79-I197 HydrophobicContact CG2-CG2 3.74Å; A192-I197 HydrophobicContact CB-CB 4.24Å; A192-I197 PolarHBondContact O-N 3.4Å; S195-I197 PolarHBondContact O-N 3.34Å; I197-L199 PolarHBondContact O-N 3.32Å
198	P	98.3	Very high	97.5	Very high	71 Å²	71	47.5 Å²	47.5	46%	0.461	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-51.6	122.6	174.3	-27.9	34.1	0	0	0	112	D77 N78 V79 S196	D77-P198 WeakPolarHBondContact O-CD 3.42Å; N78-P198 WeakPolarHBondContact CA-O 3.11Å; V79-P198 PolarHBondContact N-O 3.39Å; S196-P198 WeakPolarHBondContact O-CD 3.35Å
199	L	98	Very high	97.3	Very high	48 Å²	48	47.6 Å²	47.6	25%	0.251	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.8	-179.6	-176.2	65.3	0	0	0	110.5	V79 L81 D84 N86 A189 A192 I197	V79-L199 HydrophobicContact CB-CD1 4.21Å; V79-L199 HydrophobicContact CG1-CD1 3.81Å; V79-L199 CarbonylContact O-C 3.56Å; V79-L199 WeakPolarHBondContact O-CA 3.46Å; L81-L199 HydrophobicContact CD1-CD1 4.05Å; L81-L199 HydrophobicContact CG-CD1 4Å; D84-L199 HydrophobicContact CB-CD2 4.42Å; D84-L199 VanDerWaalsContact OD1-CD2 3.23Å; D84-L199 WeakPolarHBondContact OD1-CD2 3.43Å; N86-L199 HydrophobicContact CB-CD2 4.43Å; A189-L199 HydrophobicContact CB-CD2 3.88Å; A192-L199 HydrophobicContact CB-CD1 4.3Å; I197-L199 PolarHBondContact O-N 3.32Å
200	G	97.7	Very high	97.2	Very high	13 Å²	13	51 Å²	51	13%	0.134	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	167.1	171.8	0	0	0	0	0	112.5	V79 F80 L81	V79-G200 PolarHBondContact O-N 3.34Å; F80-G200 WeakPolarHBondContact CA-O 3.28Å; L81-G200 PolarHBondContact N-O 3.41Å
201	A	98.3	Very high	96.9	Very high	45 Å²	45	48.1 Å²	48.1	37%	0.372	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.6	175.2	0	0	0	0	0	110.2	L81 D84	L81-A201 WeakPolarHBondContact O-CA 3.39Å; D84-A201 HydrophobicContact CB-CB 4.26Å
202	I	98.4	Very high	96.6	Very high	5 Å²	5	47 Å²	47	3%	0.026	27%	0.268	C	S	.	.	S	Bend	trans	-87.4	-24.8	175.9	-69.4	-70.3	0	0	0	111.6	F80 L81 E82 M332 R335 V336 L339 F350 F352	F80-I202 HydrophobicContact CB-CD1 4.3Å; F80-I202 HydrophobicContact CB-CG1 3.99Å; F80-I202 HydrophobicContact CD1-CD1 3.75Å; F80-I202 HydrophobicContact CD1-CG1 4Å; F80-I202 HydrophobicContact CE1-CD1 4.49Å; F80-I202 HydrophobicContact CG-CD1 4.27Å; F80-I202 HydrophobicContact CG-CG1 4.41Å; L81-I202 PolarHBondContact O-N 3.13Å; E82-I202 PolarHBondContact O-N 3.01Å; I202-M332 HydrophobicContact CG2-CB 3.97Å; I202-M332 HydrophobicContact CG2-CG 3.78Å; I202-R335 HydrophobicContact CD1-CB 4.29Å; I202-R335 HydrophobicContact CG2-CB 4.26Å; I202-R335 WeakPolarHBondContact O-CD 3.18Å; I202-R335 PolarHBondContact O-NH1 3.22Å; I202-V336 HydrophobicContact CD1-CG2 4.2Å; I202-L339 HydrophobicContact CD1-CD1 3.49Å; I202-L339 VanDerWaalsContact CD1-CD1 3.49Å; I202-F350 HydrophobicContact CD1-CD1 4.22Å; I202-F350 HydrophobicContact CD1-CE1 4.07Å; I202-F350 HydrophobicContact CG1-CD1 4.36Å; I202-F352 HydrophobicContact CB-CE1 3.97Å; I202-F352 HydrophobicContact CB-CZ 4.17Å; I202-F352 HydrophobicContact CD1-CZ 4.49Å; I202-F352 HydrophobicContact CG1-CE1 3.63Å; I202-F352 HydrophobicContact CG1-CZ 3.67Å; I202-F352 HydrophobicContact CG2-CE1 4.38Å; I202-F352 HydrophobicContact CG2-CZ 4.18Å
203	E	97.9	Very high	96.3	Very high	6 Å²	6	49 Å²	49	3%	0.028	28%	0.279	C	S	.	.	S	Bend	trans	-122.6	169.3	178.2	-55.9	-159.6	114.7	0	0	111.9	E82 E207 Q208 R328 R331 M332	E82-E203 WeakPolarHBondContact O-CA 3.47Å; E82-E203 WeakPolarHBondContact O-CB 3.41Å; E82-E203 PolarHBondContact O-N 3.46Å; E203-E207 WeakPolarHBondContact CA-OE2 3.39Å; E203-Q208 PolarHBondContact OE2-NE2 2.97Å; E203-R328 IonicContact OE1-NE 3.84Å; E203-R328 IonicContact OE2-CZ 3.48Å; E203-R328 VanDerWaalsContact OE2-CZ 3.25Å; E203-R328 IonicContact OE2-NE 3.3Å; E203-R328 PolarHBondContact OE2-NE 2.88Å; E203-R328 IonicContact OE2-NH2 2.78Å; E203-R328 PolarHBondContact OE2-NH2 3.18Å; E203-R331 IonicContact OE1-CZ 2.84Å; E203-R331 VanDerWaalsContact OE1-CZ 3.23Å; E203-R331 IonicContact OE1-NE 2.76Å; E203-R331 PolarHBondContact OE1-NE 3.2Å; E203-R331 IonicContact OE1-NH2 3.89Å; E203-R331 PolarHBondContact OE1-NH2 2.98Å; E203-M332 HydrophobicContact CG-CE 4.05Å; E203-M332 HydrophobicContact CG-CG 4.22Å; E203-M332 WeakPolarHBondContact OE2-CE 3.44Å
204	T	97.7	Very high	96.1	Very high	58 Å²	58	45 Å²	45	36%	0.356	27%	0.268	S	S	.	.			trans	-108.5	155.9	175.2	64.2	0	0	0	0	110.6	H206 E207 Q208	T204-H206 PolarHBondContact O-N 3.1Å; T204-E207 PolarHBondContact N-OE2 3.25Å; T204-E207 WeakPolarHBondContact O-CB 3.09Å; T204-E207 PolarHBondContact O-N 3.37Å; T204-E207 VanDerWaalsContact O-N 3.13Å; T204-E207 WeakPolarHBondContact OG1-CB 3.38Å; T204-E207 WeakPolarHBondContact OG1-CG 3.41Å; T204-E207 PolarHBondContact OG1-N 3.01Å; T204-E207 PolarHBondContact OG1-OE2 3.46Å; T204-Q208 PolarHBondContact O-N 2.87Å
205	P	96.6	Very high	95.6	Very high	23 Å²	23	40.8 Å²	40.8	15%	0.149	24%	0.242	C	C	.	.	H	α-helix	trans	-53.4	-41.1	173.3	-29.7	36.8	0	0	0	113	L83 T90 L94 E207 Q208 C209	L83-P205 HydrophobicContact CD2-CG 4.35Å; T90-P205 HydrophobicContact CG2-CG 3.73Å; L94-P205 HydrophobicContact CD2-CB 3.93Å; L94-P205 HydrophobicContact CG-CB 4.1Å; P205-E207 VanDerWaalsContact C-N 3.32Å; P205-E207 PolarHBondContact O-N 2.94Å; P205-Q208 WeakPolarHBondContact O-CB 3.27Å; P205-Q208 PolarHBondContact O-N 2.97Å; P205-Q208 VanDerWaalsContact O-N 3.13Å; P205-C209 PolarHBondContact O-N 3.05Å; P205-C209 PolarHBondContact O-SG 3.22Å
206	H	96.6	Very high	95.2	Very high	140 Å²	140	47.3 Å²	47.3	65%	0.648	26%	0.259	S	S	*	.	H	α-helix	trans	-60.1	-42.1	179.4	-177.6	73.1	0	0	0	112.1	T204 Q208 C209 Q210	T204-H206 PolarHBondContact O-N 3.1Å; H206-Q208 PolarHBondContact O-N 3.24Å; H206-C209 PolarHBondContact O-N 3.03Å; H206-Q210 WeakPolarHBondContact O-CB 3.5Å; H206-Q210 PolarHBondContact O-N 2.99Å
207	E	96.8	Very high	94.7	Very high	33 Å²	33	46.7 Å²	46.7	15%	0.154	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-23	178.6	-74.2	166.7	154.6	0	0	113.9	E203 T204 P205 P211 R331 R335	E203-E207 WeakPolarHBondContact CA-OE2 3.39Å; T204-E207 PolarHBondContact N-OE2 3.25Å; T204-E207 WeakPolarHBondContact O-CB 3.09Å; T204-E207 PolarHBondContact O-N 3.37Å; T204-E207 VanDerWaalsContact O-N 3.13Å; T204-E207 WeakPolarHBondContact OG1-CB 3.38Å; T204-E207 WeakPolarHBondContact OG1-CG 3.41Å; T204-E207 PolarHBondContact OG1-N 3.01Å; T204-E207 PolarHBondContact OG1-OE2 3.46Å; P205-E207 VanDerWaalsContact C-N 3.32Å; P205-E207 PolarHBondContact O-N 2.94Å; E207-P211 WeakPolarHBondContact O-CD 3.49Å; E207-R331 WeakPolarHBondContact OE1-CD 3.21Å; E207-R331 IonicContact OE1-NE 3.97Å; E207-R331 IonicContact OE2-NE 3.8Å; E207-R335 IonicContact OE1-CZ 2.81Å; E207-R335 IonicContact OE1-NH1 3.58Å; E207-R335 PolarHBondContact OE1-NH1 2.95Å; E207-R335 IonicContact OE1-NH2 3.65Å; E207-R335 PolarHBondContact OE1-NH2 3.39Å; E207-R335 IonicContact OE2-CZ 3.3Å; E207-R335 IonicContact OE2-NH1 3.41Å; E207-R335 PolarHBondContact OE2-NH1 3.21Å; E207-R335 IonicContact OE2-NH2 3.05Å
208	Q	92.5	Very high	94.2	Very high	30 Å²	30	52.7 Å²	52.7	14%	0.14	28%	0.282	C	S	.	.	H	α-helix	trans	-84.3	-37.7	176.5	-66.3	-84.2	31.7	0	0	111.2	E82 L83 L94 E203 T204 P205 H206 R328	E82-Q208 PolarHBondContact OE2-NE2 3.38Å; L83-Q208 HydrophobicContact CD1-CG 3.81Å; L83-Q208 HydrophobicContact CD2-CG 4.14Å; L83-Q208 HydrophobicContact CG-CG 4.11Å; L94-Q208 HydrophobicContact CD2-CB 4.37Å; E203-Q208 PolarHBondContact OE2-NE2 2.97Å; T204-Q208 PolarHBondContact O-N 2.87Å; P205-Q208 WeakPolarHBondContact O-CB 3.27Å; P205-Q208 PolarHBondContact O-N 2.97Å; P205-Q208 VanDerWaalsContact O-N 3.13Å; H206-Q208 PolarHBondContact O-N 3.24Å; Q208-R328 VanDerWaalsContact OE1-NH2 3.09Å
209	C	94.9	Very high	93.7	Very high	3 Å²	3	50 Å²	50	2%	0.02	26%	0.263	C	S	.	.	H	α-helix	trans	-82.6	-35.5	-178.3	-53.8	0	0	0	0	113.7	C97 W163 P205 H206 L212 N213	C97-C209 HydrophobicContact CB-CB 3.46Å; C97-C209 VanDerWaalsContact CB-CB 3.46Å; C97-C209 WeakPolarHBondContact CB-SG 3.39Å; C97-C209 WeakPolarHBondContact SG-CB 3.18Å; C97-C209 CovalentContact SG-SG 2.02Å; C97-C209 PolarHBondContact SG-SG 3.46Å; W163-C209 HydrophobicContact CZ2-CB 4.49Å; P205-C209 PolarHBondContact O-N 3.05Å; P205-C209 PolarHBondContact O-SG 3.22Å; H206-C209 PolarHBondContact O-N 3.03Å; C209-L212 PolarHBondContact O-N 3.47Å; C209-L212 VanDerWaalsContact O-N 3.1Å; C209-N213 WeakPolarHBondContact O-CB 3.18Å; C209-N213 PolarHBondContact O-N 3.4Å
210	Q	94.7	Very high	93.3	Very high	72 Å²	72	48.2 Å²	48.2	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-57.9	-43.2	-170.2	-179.6	-84.2	-35.1	0	0	113.1	H206 L212 N213 S214	H206-Q210 WeakPolarHBondContact O-CB 3.5Å; H206-Q210 PolarHBondContact O-N 2.99Å; Q210-L212 VanDerWaalsContact C-N 3.31Å; Q210-L212 PolarHBondContact O-N 3.19Å; Q210-N213 PolarHBondContact O-N 2.85Å; Q210-S214 PolarHBondContact NE2-OG 2.84Å; Q210-S214 WeakPolarHBondContact O-CB 3.5Å; Q210-S214 PolarHBondContact O-N 3.02Å; Q210-S214 PolarHBondContact O-OG 3.39Å
211	P	92	Very high	93	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.019	26%	0.258	C	S	.	.	H	α-helix	trans	-58	-40.4	175.5	-29.6	38.9	0	0	0	113.7	E207 Y319 E323 L324	E207-P211 WeakPolarHBondContact O-CD 3.49Å; P211-Y319 WeakPolarHBondContact O-CE1 3.39Å; P211-Y319 PolarHBondContact O-OH 2.67Å; P211-E323 HydrophobicContact CB-CB 3.79Å; P211-E323 HydrophobicContact CB-CG 4.42Å; P211-E323 HydrophobicContact CG-CB 4.12Å; P211-L324 HydrophobicContact CB-CD2 3.61Å; P211-L324 HydrophobicContact CB-CG 4.36Å; P211-L324 HydrophobicContact CG-CD2 3.91Å
212	L	91.2	Very high	92.5	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.073	26%	0.259	C	S	.	.	H	α-helix	trans	-71.6	-43.1	179.2	-61	175.7	0	0	0	111.3	I162 W163 F166 C209 Q210 S214 F320	I162-L212 HydrophobicContact CG1-CB 4.22Å; I162-L212 HydrophobicContact CG1-CD2 4.46Å; I162-L212 HydrophobicContact CG2-CB 4.48Å; W163-L212 HydrophobicContact CH2-CD1 3.41Å; W163-L212 VanDerWaalsContact CH2-CD1 3.41Å; W163-L212 HydrophobicContact CZ2-CB 4.35Å; W163-L212 HydrophobicContact CZ2-CD1 3.66Å; W163-L212 HydrophobicContact CZ3-CD1 3.9Å; F166-L212 HydrophobicContact CE2-CD1 4.01Å; F166-L212 HydrophobicContact CE2-CD2 4.12Å; F166-L212 HydrophobicContact CZ-CD1 3.89Å; F166-L212 HydrophobicContact CZ-CD2 3.77Å; F166-L212 HydrophobicContact CZ-CG 4.49Å; C209-L212 PolarHBondContact O-N 3.47Å; C209-L212 VanDerWaalsContact O-N 3.1Å; Q210-L212 VanDerWaalsContact C-N 3.31Å; Q210-L212 PolarHBondContact O-N 3.19Å; L212-S214 VanDerWaalsContact C-N 3.26Å; L212-S214 PolarHBondContact O-N 3.26Å; L212-F320 HydrophobicContact CD2-CE1 3.83Å; L212-F320 HydrophobicContact CD2-CZ 4.41Å
213	N	93.4	Very high	91.9	Very high	43 Å²	43	51.8 Å²	51.8	23%	0.23	26%	0.259	C	S	.	.	H	α-helix	trans	-76.6	-9.7	-177.2	-72	-12.7	0	0	0	113.8	C97 R160 W163 C209 Q210	C97-N213 PolarHBondContact O-ND2 2.9Å; R160-N213 VanDerWaalsContact CD-OD1 3.24Å; R160-N213 WeakPolarHBondContact CD-OD1 3.4Å; W163-N213 PolarHBondContact NE1-OD1 3.32Å; C209-N213 WeakPolarHBondContact O-CB 3.18Å; C209-N213 PolarHBondContact O-N 3.4Å; Q210-N213 PolarHBondContact O-N 2.85Å
214	S	91.1	Very high	91.5	Very high	57 Å²	57	51.5 Å²	51.5	40%	0.399	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	4.1	-178.7	-53.6	0	0	0	0	114	Q210 L212	Q210-S214 PolarHBondContact NE2-OG 2.84Å; Q210-S214 WeakPolarHBondContact O-CB 3.5Å; Q210-S214 PolarHBondContact O-N 3.02Å; Q210-S214 PolarHBondContact O-OG 3.39Å; L212-S214 VanDerWaalsContact C-N 3.26Å; L212-S214 PolarHBondContact O-N 3.26Å
215	L	88.3	Confident	91.1	Very high	19 Å²	19	50.9 Å²	50.9	10%	0.099	25%	0.252	C	S	.	.	S	Bend	trans	-64.2	147.1	171.2	-71.8	168.1	0	0	0	110.9	I162 V220 Y319 F320	I162-L215 HydrophobicContact CD1-CD1 3.67Å; I162-L215 HydrophobicContact CG1-CD1 3.97Å; L215-V220 HydrophobicContact CB-CG2 3.42Å; L215-V220 VanDerWaalsContact CB-CG2 3.42Å; L215-V220 HydrophobicContact CD1-CG2 4.09Å; L215-V220 HydrophobicContact CG-CG2 4.42Å; L215-Y319 HydrophobicContact CD2-CD1 3.44Å; L215-Y319 VanDerWaalsContact CD2-CD1 3.44Å; L215-Y319 HydrophobicContact CD2-CE1 3.42Å; L215-Y319 VanDerWaalsContact CD2-CE1 3.42Å; L215-Y319 HydrophobicContact CD2-CG 4.24Å; L215-Y319 HydrophobicContact CG-CD1 4.45Å; L215-Y319 HydrophobicContact CG-CE1 4Å; L215-F320 HydrophobicContact CD1-CE1 3.87Å; L215-F320 HydrophobicContact CD1-CZ 3.61Å; L215-F320 HydrophobicContact CD2-CE1 4.3Å; L215-F320 HydrophobicContact CD2-CZ 4.33Å; L215-F320 HydrophobicContact CG-CE1 4.42Å; L215-F320 HydrophobicContact CG-CZ 4.49Å
216	R	88.2	Confident	90.7	Very high	185 Å²	185	52.8 Å²	52.8	70%	0.698	26%	0.259	S	S	*	.			trans	-70.1	143.2	176.7	-60.3	-179.6	179.9	176.1	0.2	110.3	Q218 Q219 V220	R216-Q218 PolarHBondContact O-N 2.76Å; R216-Q218 VanDerWaalsContact O-N 3.13Å; R216-Q219 HydrophobicContact CB-CG 4.21Å; R216-Q219 VanDerWaalsContact N-OE1 3.16Å; R216-Q219 WeakPolarHBondContact O-CB 3.11Å; R216-Q219 PolarHBondContact O-N 3.49Å; R216-V220 WeakPolarHBondContact O-CG2 3.39Å; R216-V220 PolarHBondContact O-N 3.26Å; R216-V220 VanDerWaalsContact O-N 3.09Å
217	S	87.9	Confident	90.2	Very high	95 Å²	95	46.7 Å²	46.7	66%	0.664	23%	0.231	S	C	*	.	H	α-helix	trans	-52.9	-40.4	-178.3	-49.6	0	0	0	0	113.2	V220 V221	S217-V220 PolarHBondContact O-N 3.3Å; S217-V221 WeakPolarHBondContact O-CB 3.48Å; S217-V221 VanDerWaalsContact O-CG2 3.27Å; S217-V221 WeakPolarHBondContact O-CG2 3.3Å; S217-V221 PolarHBondContact O-N 3.05Å
218	Q	88.2	Confident	89.9	Confident	143 Å²	143	45.1 Å²	45.1	67%	0.668	22%	0.224	S	C	*	.	H	α-helix	trans	-61.7	-45.5	178	-66.4	179.3	0.1	0	0	112.5	R216 V220 V221 R222	R216-Q218 PolarHBondContact O-N 2.76Å; R216-Q218 VanDerWaalsContact O-N 3.13Å; Q218-V220 VanDerWaalsContact C-N 3.33Å; Q218-V220 PolarHBondContact O-N 2.91Å; Q218-V221 PolarHBondContact O-N 2.05Å; Q218-R222 WeakPolarHBondContact O-CG 3.45Å; Q218-R222 PolarHBondContact O-N 3.16Å
219	Q	86.6	Confident	89.7	Confident	14 Å²	14	47.2 Å²	47.2	7%	0.065	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-43.9	177.2	-65.8	175	-53.7	0	0	110.9	R216 A223 I316	R216-Q219 HydrophobicContact CB-CG 4.21Å; R216-Q219 VanDerWaalsContact N-OE1 3.16Å; R216-Q219 WeakPolarHBondContact O-CB 3.11Å; R216-Q219 PolarHBondContact O-N 3.49Å; Q219-A223 VanDerWaalsContact O-CB 3.28Å; Q219-A223 WeakPolarHBondContact O-CB 3.24Å; Q219-A223 PolarHBondContact O-N 2.96Å; Q219-I316 HydrophobicContact CB-CD1 3.78Å; Q219-I316 HydrophobicContact CB-CG1 4.04Å; Q219-I316 HydrophobicContact CG-CD1 4.19Å; Q219-I316 HydrophobicContact CG-CG1 4.07Å
220	V	89.9	Confident	89.2	Confident	12 Å²	12	48.4 Å²	48.4	7%	0.073	24%	0.241	C	C	.	.	H	α-helix	trans	-68.4	-42	-179.1	-173.8	0	0	0	0	111.7	P161 I162 L215 R216 S217 Q218 A223 L224	P161-V220 HydrophobicContact CB-CG1 3.53Å; I162-V220 HydrophobicContact CB-CG1 3.83Å; I162-V220 HydrophobicContact CB-CG2 4.49Å; I162-V220 VanDerWaalsContact N-CG1 3.32Å; L215-V220 HydrophobicContact CB-CG2 3.42Å; L215-V220 VanDerWaalsContact CB-CG2 3.42Å; L215-V220 HydrophobicContact CD1-CG2 4.09Å; L215-V220 HydrophobicContact CG-CG2 4.42Å; R216-V220 WeakPolarHBondContact O-CG2 3.39Å; R216-V220 PolarHBondContact O-N 3.26Å; R216-V220 VanDerWaalsContact O-N 3.09Å; S217-V220 PolarHBondContact O-N 3.3Å; Q218-V220 VanDerWaalsContact C-N 3.33Å; Q218-V220 PolarHBondContact O-N 2.91Å; V220-A223 PolarHBondContact O-N 3.33Å; V220-L224 VanDerWaalsContact O-CB 3.24Å; V220-L224 WeakPolarHBondContact O-CB 3.45Å; V220-L224 PolarHBondContact O-N 2.89Å
221	V	91.8	Very high	88.7	Confident	32 Å²	32	45.7 Å²	45.7	19%	0.194	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-44.8	177.6	168.1	0	0	0	0	111	L110 P111 L114 S217 Q218 L224 N225	L110-V221 HydrophobicContact CD2-CG2 3.99Å; P111-V221 HydrophobicContact CG-CG1 4.02Å; L114-V221 HydrophobicContact CD2-CG1 3.85Å; S217-V221 WeakPolarHBondContact O-CB 3.48Å; S217-V221 VanDerWaalsContact O-CG2 3.27Å; S217-V221 WeakPolarHBondContact O-CG2 3.3Å; S217-V221 PolarHBondContact O-N 3.05Å; Q218-V221 PolarHBondContact O-N 2.05Å; V221-L224 PolarHBondContact O-N 3.07Å; V221-N225 WeakPolarHBondContact O-CB 3.34Å; V221-N225 PolarHBondContact O-N 3.04Å
222	R	87.4	Confident	88.4	Confident	103 Å²	103	47 Å²	47	39%	0.389	24%	0.235	S	C	.	.	H	α-helix	trans	-62.6	-48.6	176.5	-73.6	176.4	178.8	-153	-1.7	111.4	Q218 L224 N225 Q226 D309 E312	Q218-R222 WeakPolarHBondContact O-CG 3.45Å; Q218-R222 PolarHBondContact O-N 3.16Å; R222-L224 VanDerWaalsContact C-N 3.34Å; R222-L224 PolarHBondContact O-N 2.79Å; R222-N225 WeakPolarHBondContact O-CB 3.23Å; R222-N225 PolarHBondContact O-N 3.43Å; R222-Q226 WeakPolarHBondContact O-CG 3.36Å; R222-Q226 PolarHBondContact O-N 3.43Å; R222-D309 IonicContact CZ-OD2 3.22Å; R222-D309 IonicContact NH1-OD2 2.72Å; R222-D309 PolarHBondContact NH1-OD2 2.92Å; R222-D309 IonicContact NH2-OD2 3.74Å; R222-E312 WeakPolarHBondContact CD-OE2 3.28Å; R222-E312 IonicContact CZ-OE2 2.68Å; R222-E312 IonicContact NE-OE2 2.66Å; R222-E312 PolarHBondContact NE-OE2 3.39Å; R222-E312 IonicContact NH1-OE2 3.86Å; R222-E312 PolarHBondContact NH1-OE2 3.28Å
223	A	85.8	Confident	87.9	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.025	25%	0.25	C	C	.	.	H	α-helix	trans	-64.7	-36.9	179.9	0	0	0	0	0	112.7	M165 Q219 V220 Q226 T227 L278	M165-A223 HydrophobicContact CE-CB 3.49Å; M165-A223 VanDerWaalsContact CE-CB 3.49Å; M165-A223 HydrophobicContact SD-CB 3.74Å; Q219-A223 VanDerWaalsContact O-CB 3.28Å; Q219-A223 WeakPolarHBondContact O-CB 3.24Å; Q219-A223 PolarHBondContact O-N 2.96Å; V220-A223 PolarHBondContact O-N 3.33Å; A223-Q226 PolarHBondContact O-N 3.11Å; A223-T227 WeakPolarHBondContact O-CB 3.31Å; A223-T227 PolarHBondContact O-N 2.63Å; A223-T227 PolarHBondContact O-OG1 3.43Å; A223-L278 HydrophobicContact CB-CD2 4.16Å
224	L	90.8	Very high	86.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-44.6	173.2	177	60	0	0	0	111.6	L110 P161 I164 M165 L168 V220 V221 R222 Q226 T227 L228	L110-L224 HydrophobicContact CD1-CD2 3.76Å; L110-L224 HydrophobicContact CD2-CD2 3.78Å; L110-L224 HydrophobicContact CG-CD2 4.46Å; P161-L224 HydrophobicContact CB-CD2 4.34Å; I164-L224 HydrophobicContact CB-CD1 3.97Å; I164-L224 HydrophobicContact CG2-CD1 3.66Å; M165-L224 HydrophobicContact CG-CB 4.01Å; M165-L224 HydrophobicContact CG-CD1 3.8Å; M165-L224 HydrophobicContact SD-CB 4.31Å; L168-L224 HydrophobicContact CD1-CD1 3.87Å; V220-L224 VanDerWaalsContact O-CB 3.24Å; V220-L224 WeakPolarHBondContact O-CB 3.45Å; V220-L224 PolarHBondContact O-N 2.89Å; V221-L224 PolarHBondContact O-N 3.07Å; R222-L224 VanDerWaalsContact C-N 3.34Å; R222-L224 PolarHBondContact O-N 2.79Å; L224-Q226 VanDerWaalsContact C-N 3.31Å; L224-Q226 PolarHBondContact O-N 3Å; L224-T227 PolarHBondContact O-N 3.48Å; L224-L228 WeakPolarHBondContact O-CB 3.4Å; L224-L228 PolarHBondContact O-N 2.89Å
225	N	89.7	Confident	85.6	Confident	45 Å²	45	52.4 Å²	52.4	24%	0.241	25%	0.25	C	S	.	.	H	α-helix	trans	-58.5	-43.1	177.4	-173.3	34.6	0	0	0	111.8	L114 R117 V221 R222 Y229 M303	L114-N225 HydrophobicContact CD1-CB 4.15Å; L114-N225 HydrophobicContact CD2-CB 4.37Å; R117-N225 PolarHBondContact NH1-OD1 2.98Å; V221-N225 WeakPolarHBondContact O-CB 3.34Å; V221-N225 PolarHBondContact O-N 3.04Å; R222-N225 WeakPolarHBondContact O-CB 3.23Å; R222-N225 PolarHBondContact O-N 3.43Å; N225-Y229 VanDerWaalsContact O-CB 3.31Å; N225-Y229 WeakPolarHBondContact O-CB 3.42Å; N225-Y229 PolarHBondContact O-N 3.18Å; N225-M303 VanDerWaalsContact ND2-CE 3.32Å; N225-M303 WeakPolarHBondContact ND2-CE 3.35Å
226	Q	86.6	Confident	84.5	Confident	63 Å²	63	56.7 Å²	56.7	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-65.6	-43.4	175.3	-69.8	172.7	-9.8	0	0	112.4	R222 A223 L224 Y229 A230 F308	R222-Q226 WeakPolarHBondContact O-CG 3.36Å; R222-Q226 PolarHBondContact O-N 3.43Å; A223-Q226 PolarHBondContact O-N 3.11Å; L224-Q226 VanDerWaalsContact C-N 3.31Å; L224-Q226 PolarHBondContact O-N 3Å; Q226-Y229 PolarHBondContact O-N 3.36Å; Q226-A230 WeakPolarHBondContact O-CB 3.16Å; Q226-A230 PolarHBondContact O-N 2.83Å; Q226-F308 HydrophobicContact CG-CE1 4.4Å
227	T	86.4	Confident	82.9	Confident	11 Å²	11	53.3 Å²	53.3	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-45.8	178.5	-59.1	0	0	0	0	111.1	M165 L168 N169 A223 L224 A230 N231	M165-T227 HydrophobicContact CB-CG2 4.17Å; M165-T227 WeakPolarHBondContact CE-OG1 3.42Å; M165-T227 HydrophobicContact CG-CG2 4.43Å; L168-T227 HydrophobicContact CB-CG2 4.18Å; L168-T227 HydrophobicContact CD1-CG2 4.2Å; N169-T227 VanDerWaalsContact OD1-CG2 3.31Å; N169-T227 WeakPolarHBondContact OD1-CG2 3.37Å; A223-T227 WeakPolarHBondContact O-CB 3.31Å; A223-T227 PolarHBondContact O-N 2.63Å; A223-T227 PolarHBondContact O-OG1 3.43Å; L224-T227 PolarHBondContact O-N 3.48Å; T227-A230 PolarHBondContact O-N 3.41Å; T227-N231 PolarHBondContact O-N 2.86Å; T227-N231 PolarHBondContact O-ND2 2.93Å
228	L	91.7	Very high	80.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-46.5	176.5	-179.7	59.3	0	0	0	111.1	L114 R117 L118 H121 L168 L224 A230 N231 E232	L114-L228 HydrophobicContact CD1-CD2 4Å; R117-L228 HydrophobicContact CB-CD2 4.33Å; R117-L228 HydrophobicContact CG-CD2 3.89Å; L118-L228 HydrophobicContact CB-CD2 4.04Å; L118-L228 HydrophobicContact CD1-CD1 4.11Å; L118-L228 HydrophobicContact CD1-CD2 4.46Å; H121-L228 HydrophobicContact CB-CD1 3.66Å; L168-L228 HydrophobicContact CD1-CB 4.16Å; L168-L228 HydrophobicContact CD1-CD1 4.18Å; L168-L228 HydrophobicContact CD2-CD1 4.38Å; L224-L228 WeakPolarHBondContact O-CB 3.4Å; L224-L228 PolarHBondContact O-N 2.89Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 3.46Å; L228-N231 PolarHBondContact O-N 2.75Å; L228-E232 HydrophobicContact CD1-CG 4.38Å; L228-E232 WeakPolarHBondContact O-CG 3.32Å; L228-E232 PolarHBondContact O-N 3.45Å
229	Y	88	Confident	78.9	Confident	75 Å²	75	53.9 Å²	53.9	29%	0.294	26%	0.264	S	S	.	.	H	α-helix	trans	-58.6	-43.3	175.9	-172	-80.2	0	0	0	112.8	R117 N225 Q226 N231 E232 R233 V300	R117-Y229 VanDerWaalsContact NH2-CB 3.34Å; N225-Y229 VanDerWaalsContact O-CB 3.31Å; N225-Y229 WeakPolarHBondContact O-CB 3.42Å; N225-Y229 PolarHBondContact O-N 3.18Å; Q226-Y229 PolarHBondContact O-N 3.36Å; Y229-N231 VanDerWaalsContact C-N 3.34Å; Y229-N231 PolarHBondContact O-N 3.08Å; Y229-E232 PolarHBondContact O-N 3.16Å; Y229-R233 HydrophobicContact CD1-CG 4.19Å; Y229-R233 VanDerWaalsContact CE1-CD 3.43Å; Y229-R233 HydrophobicContact CE1-CG 3.79Å; Y229-R233 PolarHBondContact O-N 3.47Å; Y229-R233 VanDerWaalsContact O-N 3.14Å; Y229-V300 HydrophobicContact CD2-CG1 4.29Å; Y229-V300 HydrophobicContact CE2-CG1 3.41Å; Y229-V300 VanDerWaalsContact CE2-CG1 3.41Å
230	A	82.8	Confident	76.7	Confident	28 Å²	28	57.6 Å²	57.6	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-42.3	176.6	0	0	0	0	0	111.9	Q226 T227 L228 L234	Q226-A230 WeakPolarHBondContact O-CB 3.16Å; Q226-A230 PolarHBondContact O-N 2.83Å; T227-A230 PolarHBondContact O-N 3.41Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 3.46Å; A230-L234 VanDerWaalsContact O-CG 3.3Å; A230-L234 WeakPolarHBondContact O-CG 3.46Å; A230-L234 PolarHBondContact O-N 2.79Å
231	N	84.5	Confident	74.4	Confident	15 Å²	15	64.8 Å²	64.8	8%	0.08	33%	0.326	C	S	.	.	H	α-helix	trans	-67.8	-42.4	178	-79.4	-84.5	0	0	0	112.4	L168 N169 T227 L228 Y229 R233 L234 L235	L168-N231 PolarHBondContact O-OD1 3.08Å; N169-N231 PolarHBondContact OD1-ND2 2.84Å; T227-N231 PolarHBondContact O-N 2.86Å; T227-N231 PolarHBondContact O-ND2 2.93Å; L228-N231 PolarHBondContact O-N 2.75Å; Y229-N231 VanDerWaalsContact C-N 3.34Å; Y229-N231 PolarHBondContact O-N 3.08Å; N231-R233 PolarHBondContact O-N 3.27Å; N231-L234 WeakPolarHBondContact O-CB 3.48Å; N231-L234 PolarHBondContact O-N 2.85Å; N231-L234 VanDerWaalsContact O-N 3.15Å; N231-L235 WeakPolarHBondContact O-CG 3.36Å; N231-L235 PolarHBondContact O-N 3.43Å
232	E	86.6	Confident	72	Confident	30 Å²	30	71.7 Å²	71.7	14%	0.14	36%	0.356	C	S	.	.	H	α-helix	trans	-61.2	-43.7	177.2	-72.9	172.9	-178.9	0	0	112.9	R117 H121 L228 Y229 L234 L235 M236	R117-E232 VanDerWaalsContact CG-OE1 3.3Å; R117-E232 WeakPolarHBondContact CG-OE1 3.33Å; R117-E232 IonicContact CZ-OE1 3.68Å; R117-E232 IonicContact CZ-OE2 2.63Å; R117-E232 VanDerWaalsContact CZ-OE2 3.23Å; R117-E232 VanDerWaalsContact NE-CD 3.3Å; R117-E232 IonicContact NE-OE1 3.88Å; R117-E232 PolarHBondContact NE-OE1 3.24Å; R117-E232 IonicContact NE-OE2 3.62Å; R117-E232 PolarHBondContact NE-OE2 2.67Å; R117-E232 IonicContact NH2-OE1 2.84Å; R117-E232 IonicContact NH2-OE2 3.01Å; R117-E232 PolarHBondContact NH2-OE2 3.41Å; H121-E232 WeakPolarHBondContact ND1-CG 3.36Å; L228-E232 HydrophobicContact CD1-CG 4.38Å; L228-E232 WeakPolarHBondContact O-CG 3.32Å; L228-E232 PolarHBondContact O-N 3.45Å; Y229-E232 PolarHBondContact O-N 3.16Å; E232-L234 PolarHBondContact O-N 3.35Å; E232-L235 PolarHBondContact O-N 3.09Å; E232-L235 VanDerWaalsContact O-N 3.13Å; E232-M236 WeakPolarHBondContact O-CG 3.06Å; E232-M236 PolarHBondContact O-N 3.46Å
233	R	79.5	Confident	69.7	Low	105 Å²	105	68.1 Å²	68.1	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-58.6	-31.7	175.7	-79.4	-167.8	-59.6	-140.1	-6.1	113.1	Y229 N231	Y229-R233 HydrophobicContact CD1-CG 4.19Å; Y229-R233 VanDerWaalsContact CE1-CD 3.43Å; Y229-R233 HydrophobicContact CE1-CG 3.79Å; Y229-R233 PolarHBondContact O-N 3.47Å; Y229-R233 VanDerWaalsContact O-N 3.14Å; N231-R233 PolarHBondContact O-N 3.27Å
234	L	68.2	Low	67.4	Low	55 Å²	55	73 Å²	73	29%	0.288	38%	0.38	S	S	.	.	H	α-helix	trans	-72.5	-38.4	178.8	-67.7	167.8	0	0	0	111.2	A230 N231 E232 S246	A230-L234 VanDerWaalsContact O-CG 3.3Å; A230-L234 WeakPolarHBondContact O-CG 3.46Å; A230-L234 PolarHBondContact O-N 2.79Å; N231-L234 WeakPolarHBondContact O-CB 3.48Å; N231-L234 PolarHBondContact O-N 2.85Å; N231-L234 VanDerWaalsContact O-N 3.15Å; E232-L234 PolarHBondContact O-N 3.35Å; L234-S246 VanDerWaalsContact CD2-CB 3.48Å
235	L	69	Low	65.3	Low	67 Å²	67	76.4 Å²	76.4	35%	0.351	40%	0.401	S	S	.	.	H	α-helix	trans	-74.1	-28.5	178.6	-61.2	171.7	0	0	0	112.8	H121 F124 N231 E232	H121-L235 WeakPolarHBondContact CE1-CD1 3.43Å; F124-L235 HydrophobicContact CD1-CD1 3.69Å; F124-L235 HydrophobicContact CE1-CB 4.03Å; F124-L235 HydrophobicContact CE1-CD1 3.61Å; F124-L235 HydrophobicContact CE1-CD2 3.91Å; F124-L235 HydrophobicContact CE1-CG 4.04Å; F124-L235 HydrophobicContact CZ-CB 4.42Å; N231-L235 WeakPolarHBondContact O-CG 3.36Å; N231-L235 PolarHBondContact O-N 3.43Å; E232-L235 PolarHBondContact O-N 3.09Å; E232-L235 VanDerWaalsContact O-N 3.13Å
236	M	64.4	Low	63.5	Low	109 Å²	109	75.1 Å²	75.1	54%	0.537	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.5	-179.9	-71.1	-175.2	179.9	0	0	114.7	E232 P238 L296	E232-M236 WeakPolarHBondContact O-CG 3.06Å; E232-M236 PolarHBondContact O-N 3.46Å; M236-P238 WeakPolarHBondContact O-CD 3.35Å; M236-L296 HydrophobicContact CE-CD1 4.29Å
237	K	54.8	Low	62.1	Low	115 Å²	115	73.2 Å²	73.2	50%	0.5	39%	0.388	S	S	.	.	S	Bend	trans	-87.4	109.4	174.6	-72.3	-179.1	-178.3	177.8	0	108.4	E239	K237-E239 PolarHBondContact O-N 3.23Å
238	P	47.1	Very low	60.7	Low	116 Å²	116	74.4 Å²	74.4	75%	0.753	39%	0.394	S	S	*	.			trans	-60.4	112.5	163.6	24.9	-29.9	0	0	0	106.2	M236 P240	M236-P238 WeakPolarHBondContact O-CD 3.35Å; P238-P240 WeakPolarHBondContact O-CD 3.45Å; P238-P240 VanDerWaalsContact O-N 3.11Å
239	E	45.2	Very low	59.2	Low	133 Å²	133	76 Å²	76	62%	0.621	40%	0.402	S	S	*	.			trans	-60	113.6	174.5	-75.2	-166.3	164.5	0	0	108.1	K237 A243	K237-E239 PolarHBondContact O-N 3.23Å; E239-A243 HydrophobicContact CB-CB 4.24Å; E239-A243 HydrophobicContact CG-CB 4.25Å
240	P	40.5	Very low	58.2	Low	92 Å²	92	75.9 Å²	75.9	60%	0.597	40%	0.401	S	S	*	.			trans	-55.9	145.1	145.7	22.8	-30.2	0	0	0	106.9	P238 H242 A243	P238-P240 WeakPolarHBondContact O-CD 3.45Å; P238-P240 VanDerWaalsContact O-N 3.11Å; P240-H242 PolarHBondContact O-N 2.85Å; P240-A243 HydrophobicContact CG-CB 3.85Å; P240-A243 WeakPolarHBondContact O-CB 3.45Å; P240-A243 PolarHBondContact O-N 3.47Å
241	L	41.2	Very low	57.8	Low	163 Å²	163	77.8 Å²	77.8	85%	0.853	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-7.6	-174.8	-149.9	71.6	0	0	0	116
242	H	40.9	Very low	57.4	Low	177 Å²	177	79.7 Å²	79.7	82%	0.819	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.1	19.3	178	-61.8	-54.3	0	0	0	114.1	P240	P240-H242 PolarHBondContact O-N 2.85Å
243	A	40.3	Very low	57.2	Low	29 Å²	29	83.1 Å²	83.1	24%	0.24	43%	0.427	C	S	.	.	S	Bend	trans	-64.2	147.1	170.5	0	0	0	0	0	110.7	E239 P240 V245	E239-A243 HydrophobicContact CB-CB 4.24Å; E239-A243 HydrophobicContact CG-CB 4.25Å; P240-A243 HydrophobicContact CG-CB 3.85Å; P240-A243 WeakPolarHBondContact O-CB 3.45Å; P240-A243 PolarHBondContact O-N 3.47Å; A243-V245 PolarHBondContact O-N 2.61Å
244	P	37.2	Very low	57.4	Low	105 Å²	105	81.1 Å²	81.1	68%	0.682	42%	0.424	S	S	*	.			trans	-62.6	112.7	179.5	21.5	-27.8	0	0	0	109.9
245	V	46.4	Very low	58.2	Low	72 Å²	72	79 Å²	79	44%	0.436	41%	0.413	S	S	.	.			trans	-30.2	133.8	165	176.3	0	0	0	0	110.2	A243 T247 I249 R250	A243-V245 PolarHBondContact O-N 2.61Å; V245-T247 PolarHBondContact O-N 2.94Å; V245-I249 HydrophobicContact CG1-CB 3.64Å; V245-I249 HydrophobicContact CG1-CG2 3.38Å; V245-R250 HydrophobicContact CG1-CB 4.45Å
246	S	52.2	Low	59.2	Low	17 Å²	17	76.2 Å²	76.2	12%	0.119	40%	0.399	C	S	.	.			trans	-43.9	140.9	-175	79.5	0	0	0	0	113	L234 I248 I249 R250	L234-S246 VanDerWaalsContact CD2-CB 3.48Å; S246-I248 PolarHBondContact O-N 3.13Å; S246-I249 PolarHBondContact O-N 3.09Å; S246-I249 WeakPolarHBondContact OG-CB 3.45Å; S246-I249 WeakPolarHBondContact OG-CD1 3.27Å; S246-I249 WeakPolarHBondContact OG-CG1 3.41Å; S246-I249 PolarHBondContact OG-N 3.45Å; S246-I249 VanDerWaalsContact OG-N 3.13Å; S246-R250 VanDerWaalsContact O-CB 3.27Å; S246-R250 WeakPolarHBondContact O-CB 3.36Å; S246-R250 PolarHBondContact O-N 3.17Å
247	T	57.7	Low	60.4	Low	24 Å²	24	73.1 Å²	73.1	15%	0.147	38%	0.382	C	S	.	.	H	α-helix	trans	-53.5	-34.4	-175.3	-51.3	0	0	0	0	112.5	V245 R251	V245-T247 PolarHBondContact O-N 2.94Å; T247-R251 VanDerWaalsContact O-CB 3.31Å; T247-R251 WeakPolarHBondContact O-CB 3.3Å; T247-R251 WeakPolarHBondContact O-CD 3.44Å; T247-R251 WeakPolarHBondContact O-CG 3.47Å; T247-R251 PolarHBondContact O-N 3.02Å
248	I	57	Low	61.9	Low	35 Å²	35	69 Å²	69	18%	0.179	37%	0.365	C	S	.	.	H	α-helix	trans	-72.2	-48.8	176	-62.9	162.8	0	0	0	111.4	N169 S246 R250 R251 T252	N169-I248 HydrophobicContact CB-CD1 4.24Å; N169-I248 HydrophobicContact CB-CG2 4.4Å; N169-I248 WeakPolarHBondContact OD1-CD1 3.22Å; S246-I248 PolarHBondContact O-N 3.13Å; I248-R250 VanDerWaalsContact C-N 3.28Å; I248-R250 PolarHBondContact O-N 2.92Å; I248-R251 WeakPolarHBondContact O-CB 3.46Å; I248-R251 PolarHBondContact O-N 3.32Å; I248-R251 VanDerWaalsContact O-N 3.14Å; I248-T252 PolarHBondContact O-N 2.98Å; I248-T252 PolarHBondContact O-OG1 3.12Å
249	I	59.6	Low	64	Low	34 Å²	34	64.1 Å²	64.1	17%	0.174	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-39	177.8	-64	167.8	0	0	0	110.1	N172 V245 S246 T252 Y253	N172-I249 HydrophobicContact CB-CD1 4Å; N172-I249 HydrophobicContact CB-CG1 4.39Å; V245-I249 HydrophobicContact CG1-CB 3.64Å; V245-I249 HydrophobicContact CG1-CG2 3.38Å; S246-I249 PolarHBondContact O-N 3.09Å; S246-I249 WeakPolarHBondContact OG-CB 3.45Å; S246-I249 WeakPolarHBondContact OG-CD1 3.27Å; S246-I249 WeakPolarHBondContact OG-CG1 3.41Å; S246-I249 PolarHBondContact OG-N 3.45Å; S246-I249 VanDerWaalsContact OG-N 3.13Å; I249-T252 PolarHBondContact O-N 3.33Å; I249-Y253 VanDerWaalsContact O-CB 3.25Å; I249-Y253 WeakPolarHBondContact O-CB 3.05Å; I249-Y253 PolarHBondContact O-N 3.02Å
250	R	67.7	Low	66.2	Low	73 Å²	73	58.2 Å²	58.2	28%	0.275	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-44.7	173.3	-168.1	179.6	74.3	-172.6	4.8	110.8	V245 S246 I248 Y253 D254 D281	V245-R250 HydrophobicContact CG1-CB 4.45Å; S246-R250 VanDerWaalsContact O-CB 3.27Å; S246-R250 WeakPolarHBondContact O-CB 3.36Å; S246-R250 PolarHBondContact O-N 3.17Å; I248-R250 VanDerWaalsContact C-N 3.28Å; I248-R250 PolarHBondContact O-N 2.92Å; R250-Y253 PolarHBondContact O-N 3.32Å; R250-D254 VanDerWaalsContact O-CB 3.31Å; R250-D254 WeakPolarHBondContact O-CB 3.11Å; R250-D254 PolarHBondContact O-N 3.01Å; R250-D281 IonicContact CZ-OD2 3.25Å; R250-D281 IonicContact NH2-OD2 3.23Å; R250-D281 PolarHBondContact NH2-OD2 3.32Å
251	R	73.4	Confident	68.5	Low	67 Å²	67	53.9 Å²	53.9	25%	0.253	28%	0.276	S	S	.	.	H	α-helix	trans	-59.7	-47	175.1	-79.5	166.4	-175.6	-173	1.5	112.3	T247 I248 Y253 D254 L255 K279	T247-R251 VanDerWaalsContact O-CB 3.31Å; T247-R251 WeakPolarHBondContact O-CB 3.3Å; T247-R251 WeakPolarHBondContact O-CD 3.44Å; T247-R251 WeakPolarHBondContact O-CG 3.47Å; T247-R251 PolarHBondContact O-N 3.02Å; I248-R251 WeakPolarHBondContact O-CB 3.46Å; I248-R251 PolarHBondContact O-N 3.32Å; I248-R251 VanDerWaalsContact O-N 3.14Å; R251-Y253 VanDerWaalsContact C-N 3.34Å; R251-D254 PolarHBondContact O-N 3.47Å; R251-L255 VanDerWaalsContact O-CB 3.31Å; R251-L255 WeakPolarHBondContact O-CB 3.36Å; R251-L255 PolarHBondContact O-N 3.48Å; R251-K279 PolarHBondContact NH2-O 3.14Å
252	T	77.3	Confident	70.6	Confident	55 Å²	55	46.3 Å²	46.3	34%	0.337	24%	0.237	S	C	.	.	H	α-helix	trans	-64.2	-41.5	176.8	-54.8	0	0	0	0	111.1	V56 I248 I249 L255 V256	V56-T252 HydrophobicContact CG1-CG2 4.31Å; I248-T252 PolarHBondContact O-N 2.98Å; I248-T252 PolarHBondContact O-OG1 3.12Å; I249-T252 PolarHBondContact O-N 3.33Å; T252-L255 WeakPolarHBondContact O-CB 3.24Å; T252-L255 PolarHBondContact O-N 2.85Å; T252-V256 VanDerWaalsContact O-CG2 3.27Å; T252-V256 WeakPolarHBondContact O-CG2 3.49Å; T252-V256 PolarHBondContact O-N 2.9Å
253	Y	81.1	Confident	72.6	Confident	103 Å²	103	38.3 Å²	38.3	40%	0.404	20%	0.201	S	C	.	.	H	α-helix	trans	-63.5	-43.1	176.6	-175.6	-111	0	0	0	112.7	I249 R250 R251 V256 K257	I249-Y253 VanDerWaalsContact O-CB 3.25Å; I249-Y253 WeakPolarHBondContact O-CB 3.05Å; I249-Y253 PolarHBondContact O-N 3.02Å; R250-Y253 PolarHBondContact O-N 3.32Å; R251-Y253 VanDerWaalsContact C-N 3.34Å; Y253-V256 PolarHBondContact O-N 3.05Å; Y253-K257 HydrophobicContact CD1-CD 4.03Å; Y253-K257 HydrophobicContact CE1-CD 3.67Å; Y253-K257 HydrophobicContact CE1-CG 4.45Å; Y253-K257 VanDerWaalsContact CZ-NZ 3.28Å; Y253-K257 WeakPolarHBondContact O-CB 3.31Å; Y253-K257 WeakPolarHBondContact O-CG 3.35Å; Y253-K257 PolarHBondContact O-N 2.84Å; Y253-K257 WeakPolarHBondContact OH-CE 3.45Å; Y253-K257 PolarHBondContact OH-NZ 3.46Å
254	D	83.2	Confident	74.3	Confident	63 Å²	63	40.8 Å²	40.8	34%	0.337	21%	0.21	S	C	.	.	H	α-helix	trans	-65.3	-43.9	176.3	-69.1	-21.8	0	0	0	110.4	R250 R251 V256 K257 H258	R250-D254 VanDerWaalsContact O-CB 3.31Å; R250-D254 WeakPolarHBondContact O-CB 3.11Å; R250-D254 PolarHBondContact O-N 3.01Å; R251-D254 PolarHBondContact O-N 3.47Å; D254-V256 PolarHBondContact O-N 3.32Å; D254-K257 PolarHBondContact O-N 3.37Å; D254-H258 WeakPolarHBondContact O-CB 3.31Å; D254-H258 PolarHBondContact O-CD2 3.34Å; D254-H258 PolarHBondContact O-N 3.24Å
255	L	86	Confident	76.2	Confident	11 Å²	11	38.6 Å²	38.6	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-54.2	-51.2	173.5	176.1	66	0	0	0	111.4	I54 R251 T252 K257 H258 Y259 I268 F269 D272	I54-L255 HydrophobicContact CD1-CG 4.27Å; I54-L255 HydrophobicContact CG2-CD1 4.17Å; I54-L255 HydrophobicContact CG2-CG 4.46Å; R251-L255 VanDerWaalsContact O-CB 3.31Å; R251-L255 WeakPolarHBondContact O-CB 3.36Å; R251-L255 PolarHBondContact O-N 3.48Å; T252-L255 WeakPolarHBondContact O-CB 3.24Å; T252-L255 PolarHBondContact O-N 2.85Å; L255-K257 PolarHBondContact O-N 2.72Å; L255-H258 PolarHBondContact O-N 3.2Å; L255-Y259 VanDerWaalsContact O-CB 3.3Å; L255-Y259 WeakPolarHBondContact O-CB 3.44Å; L255-Y259 PolarHBondContact O-N 2.81Å; L255-I268 HydrophobicContact CB-CG2 4.32Å; L255-I268 HydrophobicContact CD1-CG2 3.84Å; L255-F269 HydrophobicContact CD1-CD1 3.48Å; L255-F269 VanDerWaalsContact CD1-CD1 3.48Å; L255-F269 HydrophobicContact CD1-CE1 3.56Å; L255-F269 HydrophobicContact CD1-CG 4.37Å; L255-F269 HydrophobicContact CD1-CZ 4.49Å; L255-D272 HydrophobicContact CD2-CB 3.94Å
256	V	89.6	Confident	77.4	Confident	8 Å²	8	40 Å²	40	5%	0.048	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-45	179	170.5	0	0	0	0	111.1	I54 V56 E60 V61 T252 Y253 D254 Y259 I260	I54-V256 HydrophobicContact CD1-CG2 4.37Å; V56-V256 HydrophobicContact CB-CG2 4.31Å; V56-V256 HydrophobicContact CG1-CG2 3.94Å; V56-V256 HydrophobicContact CG2-CG2 4.2Å; E60-V256 HydrophobicContact CB-CG1 4.3Å; E60-V256 WeakPolarHBondContact OE2-CG2 3.47Å; V61-V256 HydrophobicContact CG1-CG1 4.14Å; T252-V256 VanDerWaalsContact O-CG2 3.27Å; T252-V256 WeakPolarHBondContact O-CG2 3.49Å; T252-V256 PolarHBondContact O-N 2.9Å; Y253-V256 PolarHBondContact O-N 3.05Å; D254-V256 PolarHBondContact O-N 3.32Å; V256-Y259 PolarHBondContact O-N 2.92Å; V256-I260 HydrophobicContact CG1-CD1 3.67Å; V256-I260 HydrophobicContact CG1-CG1 4.37Å; V256-I260 WeakPolarHBondContact O-CB 3.34Å; V256-I260 VanDerWaalsContact O-CG1 3.3Å; V256-I260 WeakPolarHBondContact O-CG1 3.41Å; V256-I260 PolarHBondContact O-N 2.85Å
257	K	89.1	Confident	78.3	Confident	43 Å²	43	43 Å²	43	19%	0.187	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-49.3	176.1	-81.4	-174.8	161.5	173.4	0	112.1	Y23 F29 Y253 D254 L255 Y259 I260 C261	Y23-K257 HydrophobicContact CE2-CB 4.15Å; Y23-K257 HydrophobicContact CE2-CD 4.29Å; Y23-K257 HydrophobicContact CE2-CG 3.79Å; F29-K257 HydrophobicContact CE1-CB 4.21Å; F29-K257 HydrophobicContact CZ-CB 4.44Å; Y253-K257 HydrophobicContact CD1-CD 4.03Å; Y253-K257 HydrophobicContact CE1-CD 3.67Å; Y253-K257 HydrophobicContact CE1-CG 4.45Å; Y253-K257 VanDerWaalsContact CZ-NZ 3.28Å; Y253-K257 WeakPolarHBondContact O-CB 3.31Å; Y253-K257 WeakPolarHBondContact O-CG 3.35Å; Y253-K257 PolarHBondContact O-N 2.84Å; Y253-K257 WeakPolarHBondContact OH-CE 3.45Å; Y253-K257 PolarHBondContact OH-NZ 3.46Å; D254-K257 PolarHBondContact O-N 3.37Å; L255-K257 PolarHBondContact O-N 2.72Å; K257-Y259 VanDerWaalsContact C-N 3.29Å; K257-Y259 PolarHBondContact O-N 3.09Å; K257-I260 PolarHBondContact O-N 3.47Å; K257-C261 WeakPolarHBondContact O-CB 3.31Å; K257-C261 PolarHBondContact O-N 3.24Å; K257-C261 PolarHBondContact O-SG 3.5Å
258	H	88.1	Confident	79	Confident	29 Å²	29	43.1 Å²	43.1	13%	0.134	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-38.2	179.6	-86.2	-96	0	0	0	111.8	F29 D254 L255 G262 S263 I268	F29-H258 AromaticContact CD1-CE1 3.82Å; F29-H258 AromaticContact CD1-CG 3.94Å; F29-H258 AromaticContact CD1-ND1 3.76Å; F29-H258 AromaticContact CD1-NE2 3.98Å; F29-H258 AromaticContact CE1-CD2 3.62Å; F29-H258 AromaticContact CE1-CE1 3.92Å; F29-H258 AromaticContact CE1-CG 3.93Å; F29-H258 AromaticContact CE1-NE2 3.6Å; D254-H258 WeakPolarHBondContact O-CB 3.31Å; D254-H258 PolarHBondContact O-CD2 3.34Å; D254-H258 PolarHBondContact O-N 3.24Å; L255-H258 PolarHBondContact O-N 3.2Å; H258-G262 PolarHBondContact O-N 2.95Å; H258-G262 VanDerWaalsContact O-N 3.07Å; H258-S263 VanDerWaalsContact ND1-CB 3.35Å; H258-S263 WeakPolarHBondContact ND1-CB 3.27Å; H258-S263 PolarHBondContact ND1-OG 3.19Å; H258-S263 VanDerWaalsContact ND1-OG 3.09Å; H258-S263 VanDerWaalsContact O-CB 3.31Å; H258-S263 WeakPolarHBondContact O-CB 3.36Å; H258-S263 PolarHBondContact O-N 3.04Å; H258-I268 HydrophobicContact CB-CD1 3.99Å; H258-I268 HydrophobicContact CB-CG2 4.17Å; H258-I268 VanDerWaalsContact CD2-CD1 3.45Å; H258-I268 WeakPolarHBondContact CD2-CD1 3.34Å; H258-I268 WeakPolarHBondContact CE1-CD1 3.27Å; H258-I268 WeakPolarHBondContact ND1-CD1 3.33Å; H258-I268 WeakPolarHBondContact NE2-CD1 3.47Å
259	Y	90.5	Very high	79.6	Confident	13 Å²	13	41.5 Å²	41.5	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-53.5	174.8	-171.7	-95.1	0	0	0	112.1	F38 F51 G52 I54 V61 L255 V256 K257 C261 G262 F269	F38-Y259 HydrophobicContact CB-CE2 4.28Å; F38-Y259 HydrophobicContact CD1-CD2 4.41Å; F38-Y259 HydrophobicContact CD1-CE2 4.09Å; F38-Y259 AromaticContact CD2-CD2 3.82Å; F38-Y259 HydrophobicContact CD2-CD2 3.82Å; F38-Y259 AromaticContact CD2-CE2 3.61Å; F38-Y259 HydrophobicContact CD2-CE2 3.61Å; F38-Y259 HydrophobicContact CD2-CG 4.48Å; F38-Y259 HydrophobicContact CE1-CD2 4.18Å; F38-Y259 HydrophobicContact CE1-CE2 4.31Å; F38-Y259 AromaticContact CE2-CD2 3.54Å; F38-Y259 HydrophobicContact CE2-CD2 3.54Å; F38-Y259 AromaticContact CE2-CE2 3.86Å; F38-Y259 HydrophobicContact CE2-CE2 3.86Å; F38-Y259 HydrophobicContact CE2-CG 4.08Å; F38-Y259 WeakPolarHBondContact CE2-O 3.39Å; F38-Y259 HydrophobicContact CG-CD2 4.24Å; F38-Y259 AromaticContact CG-CE2 3.73Å; F38-Y259 HydrophobicContact CG-CE2 3.73Å; F38-Y259 AromaticContact CZ-CD2 3.73Å; F38-Y259 HydrophobicContact CZ-CD2 3.73Å; F38-Y259 HydrophobicContact CZ-CE2 4.19Å; F51-Y259 VanDerWaalsContact CZ-OH 3.24Å; F51-Y259 WeakPolarHBondContact CZ-OH 3.21Å; G52-Y259 WeakPolarHBondContact O-CE2 3.31Å; G52-Y259 VanDerWaalsContact O-CZ 3.31Å; G52-Y259 PolarHBondContact O-OH 3.43Å; I54-Y259 HydrophobicContact CD1-CD1 3.89Å; I54-Y259 HydrophobicContact CD1-CD2 4.01Å; I54-Y259 HydrophobicContact CD1-CG 3.57Å; I54-Y259 HydrophobicContact CG1-CD1 4.12Å; I54-Y259 HydrophobicContact CG1-CD2 3.95Å; I54-Y259 HydrophobicContact CG1-CE1 4.34Å; I54-Y259 HydrophobicContact CG1-CE2 4.16Å; I54-Y259 HydrophobicContact CG1-CG 3.92Å; I54-Y259 HydrophobicContact CG2-CD2 3.8Å; I54-Y259 HydrophobicContact CG2-CE2 4.14Å; I54-Y259 HydrophobicContact CG2-CG 4.45Å; V61-Y259 HydrophobicContact CB-CD1 4.23Å; V61-Y259 HydrophobicContact CB-CE1 4.24Å; V61-Y259 HydrophobicContact CG1-CD1 4.01Å; V61-Y259 HydrophobicContact CG1-CE1 4.46Å; L255-Y259 VanDerWaalsContact O-CB 3.3Å; L255-Y259 WeakPolarHBondContact O-CB 3.44Å; L255-Y259 PolarHBondContact O-N 2.81Å; V256-Y259 PolarHBondContact O-N 2.92Å; K257-Y259 VanDerWaalsContact C-N 3.29Å; K257-Y259 PolarHBondContact O-N 3.09Å; Y259-C261 PolarHBondContact O-N 3.1Å; Y259-G262 PolarHBondContact O-N 2.97Å; Y259-F269 AromaticContact CD2-CE1 3.83Å; Y259-F269 HydrophobicContact CD2-CE1 3.83Å; Y259-F269 HydrophobicContact CD2-CZ 4.31Å; Y259-F269 HydrophobicContact CG-CE1 4.5Å
260	I	90.6	Very high	79.8	Confident	9 Å²	9	42.8 Å²	42.8	5%	0.046	21%	0.212	C	C	.	.	H	α-helix	trans	-55.7	-41.8	176.8	-70.3	169	0	0	0	111	K20 P21 E60 V61 H64 V256 K257 G262	K20-I260 PolarHBondContact NZ-O 3.26Å; P21-I260 HydrophobicContact CG-CG2 4.05Å; E60-I260 WeakPolarHBondContact O-CD1 3.32Å; V61-I260 HydrophobicContact CG1-CG1 4.47Å; H64-I260 HydrophobicContact CB-CB 4.46Å; H64-I260 HydrophobicContact CB-CG1 4.13Å; H64-I260 HydrophobicContact CB-CG2 3.91Å; V256-I260 HydrophobicContact CG1-CD1 3.67Å; V256-I260 HydrophobicContact CG1-CG1 4.37Å; V256-I260 WeakPolarHBondContact O-CB 3.34Å; V256-I260 VanDerWaalsContact O-CG1 3.3Å; V256-I260 WeakPolarHBondContact O-CG1 3.41Å; V256-I260 PolarHBondContact O-N 2.85Å; K257-I260 PolarHBondContact O-N 3.47Å; I260-G262 VanDerWaalsContact C-N 3.27Å; I260-G262 PolarHBondContact O-N 3.06Å
261	C	88.5	Confident	79.3	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-76.5	-10.9	-179.7	-59.3	0	0	0	0	114	K20 Y23 C24 F29 K257 Y259	K20-C261 PolarHBondContact NZ-O 2.9Å; Y23-C261 WeakPolarHBondContact CE2-SG 3.1Å; C24-C261 WeakPolarHBondContact CA-SG 3.46Å; C24-C261 HydrophobicContact CB-CB 3.72Å; C24-C261 WeakPolarHBondContact CB-SG 3.21Å; C24-C261 WeakPolarHBondContact SG-CA 3.39Å; C24-C261 WeakPolarHBondContact SG-CB 3.37Å; C24-C261 CovalentContact SG-SG 2.05Å; C24-C261 PolarHBondContact SG-SG 3.01Å; F29-C261 HydrophobicContact CB-CB 3.56Å; F29-C261 HydrophobicContact CD1-CB 3.74Å; F29-C261 HydrophobicContact CD2-CB 4.19Å; F29-C261 HydrophobicContact CE1-CB 4.5Å; F29-C261 HydrophobicContact CG-CB 3.55Å; K257-C261 WeakPolarHBondContact O-CB 3.31Å; K257-C261 PolarHBondContact O-N 3.24Å; K257-C261 PolarHBondContact O-SG 3.5Å; Y259-C261 PolarHBondContact O-N 3.1Å
262	G	86	Confident	78.3	Confident	4 Å²	4	41.1 Å²	41.1	4%	0.041	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	30.9	177	0	0	0	0	0	113.6	N36 H258 Y259 I260	N36-G262 PolarHBondContact N-O 3.3Å; N36-G262 WeakPolarHBondContact O-CA 3.46Å; H258-G262 PolarHBondContact O-N 2.95Å; H258-G262 VanDerWaalsContact O-N 3.07Å; Y259-G262 PolarHBondContact O-N 2.97Å; I260-G262 VanDerWaalsContact C-N 3.27Å; I260-G262 PolarHBondContact O-N 3.06Å
263	S	83.8	Confident	77	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.063	20%	0.198	C	C	.	.			trans	-69.5	143.1	175.1	-173.3	0	0	0	0	110.7	F29 F38 H258 D265 F269	F29-S263 WeakPolarHBondContact O-CA 3.35Å; F38-S263 WeakPolarHBondContact CZ-O 2.95Å; H258-S263 VanDerWaalsContact ND1-CB 3.35Å; H258-S263 WeakPolarHBondContact ND1-CB 3.27Å; H258-S263 PolarHBondContact ND1-OG 3.19Å; H258-S263 VanDerWaalsContact ND1-OG 3.09Å; H258-S263 VanDerWaalsContact O-CB 3.31Å; H258-S263 WeakPolarHBondContact O-CB 3.36Å; H258-S263 PolarHBondContact O-N 3.04Å; S263-D265 PolarHBondContact OG-N 3.09Å; S263-F269 WeakPolarHBondContact O-CE2 3.43Å
264	L	75.4	Confident	75.7	Confident	80 Å²	80	35.5 Å²	35.5	42%	0.419	18%	0.184	S	C	.	.			trans	-111.7	30.6	173.9	-58.8	172.7	0	0	0	111.7	N36 F38 E266 L358	N36-L264 HydrophobicContact CB-CD1 4.07Å; N36-L264 HydrophobicContact CB-CD2 3.7Å; N36-L264 HydrophobicContact CB-CG 3.94Å; N36-L264 VanDerWaalsContact ND2-CD1 3.33Å; N36-L264 WeakPolarHBondContact ND2-CD1 3.47Å; N36-L264 WeakPolarHBondContact ND2-CD2 3.4Å; F38-L264 HydrophobicContact CE1-CD2 4.15Å; L264-E266 PolarHBondContact O-N 3.46Å; L264-L358 HydrophobicContact CB-CD2 4.29Å; L264-L358 HydrophobicContact CD2-CD2 3.59Å; L264-L358 HydrophobicContact CG-CD2 4.47Å
265	D	77.1	Confident	74.1	Confident	59 Å²	59	36.9 Å²	36.9	32%	0.316	19%	0.189	S	C	.	.			trans	-70.8	101.3	176	-164.5	-25.1	0	0	0	110.3	S263 T267 I268 F269	S263-D265 PolarHBondContact OG-N 3.09Å; D265-T267 PolarHBondContact O-N 2.67Å; D265-T267 VanDerWaalsContact O-N 3.13Å; D265-T267 WeakPolarHBondContact OD1-CB 2.94Å; D265-T267 WeakPolarHBondContact OD1-CG2 3.48Å; D265-T267 PolarHBondContact OD1-N 3.25Å; D265-T267 PolarHBondContact OD1-OG1 3.4Å; D265-T267 PolarHBondContact OD2-OG1 3.17Å; D265-I268 HydrophobicContact CB-CB 4.47Å; D265-I268 HydrophobicContact CB-CD1 3.79Å; D265-I268 HydrophobicContact CB-CG1 3.98Å; D265-I268 PolarHBondContact O-N 3.02Å; D265-F269 VanDerWaalsContact O-CD2 3.23Å; D265-F269 WeakPolarHBondContact O-CD2 3.4Å
266	E	72.3	Confident	72.2	Confident	101 Å²	101	36.7 Å²	36.7	47%	0.472	19%	0.188	S	C	.	.	H	α-helix	trans	-50.8	-33.3	175.3	-73.7	168.8	-147.2	0	0	112.9	L264 I268 F269 T270 L358 G359	L264-E266 PolarHBondContact O-N 3.46Å; E266-I268 PolarHBondContact O-N 2.99Å; E266-F269 PolarHBondContact O-N 3.13Å; E266-T270 VanDerWaalsContact O-CG2 3.31Å; E266-T270 WeakPolarHBondContact O-CG2 3.31Å; E266-T270 PolarHBondContact O-N 3.28Å; E266-T270 VanDerWaalsContact O-N 3.1Å; E266-T270 PolarHBondContact O-OG1 3.03Å; E266-T270 VanDerWaalsContact O-OG1 3.05Å; E266-L358 HydrophobicContact CG-CB 3.66Å; E266-G359 WeakPolarHBondContact OE1-CA 2.82Å; E266-G359 PolarHBondContact OE1-N 3.09Å; E266-G359 VanDerWaalsContact OE2-CA 3.28Å; E266-G359 WeakPolarHBondContact OE2-CA 3.3Å
267	T	71.1	Confident	70	Confident	80 Å²	80	38 Å²	38	49%	0.491	20%	0.203	S	C	.	.	H	α-helix	trans	-64.7	-28.1	-178.5	68.4	0	0	0	0	111.4	D265 T270 Y271	D265-T267 PolarHBondContact O-N 2.67Å; D265-T267 VanDerWaalsContact O-N 3.13Å; D265-T267 WeakPolarHBondContact OD1-CB 2.94Å; D265-T267 WeakPolarHBondContact OD1-CG2 3.48Å; D265-T267 PolarHBondContact OD1-N 3.25Å; D265-T267 PolarHBondContact OD1-OG1 3.4Å; D265-T267 PolarHBondContact OD2-OG1 3.17Å; T267-T270 PolarHBondContact O-OG1 3.48Å; T267-Y271 WeakPolarHBondContact O-CD2 3.44Å; T267-Y271 WeakPolarHBondContact O-CE2 3.49Å
268	I	71.2	Confident	67.7	Low	28 Å²	28	36.4 Å²	36.4	14%	0.144	20%	0.197	C	C	.	.	H	α-helix	trans	-82.8	-38.9	-176.7	-60.3	179.3	0	0	0	110.9	L255 H258 D265 E266	L255-I268 HydrophobicContact CB-CG2 4.32Å; L255-I268 HydrophobicContact CD1-CG2 3.84Å; H258-I268 HydrophobicContact CB-CD1 3.99Å; H258-I268 HydrophobicContact CB-CG2 4.17Å; H258-I268 VanDerWaalsContact CD2-CD1 3.45Å; H258-I268 WeakPolarHBondContact CD2-CD1 3.34Å; H258-I268 WeakPolarHBondContact CE1-CD1 3.27Å; H258-I268 WeakPolarHBondContact ND1-CD1 3.33Å; H258-I268 WeakPolarHBondContact NE2-CD1 3.47Å; D265-I268 HydrophobicContact CB-CB 4.47Å; D265-I268 HydrophobicContact CB-CD1 3.79Å; D265-I268 HydrophobicContact CB-CG1 3.98Å; D265-I268 PolarHBondContact O-N 3.02Å; E266-I268 PolarHBondContact O-N 2.99Å
269	F	70.3	Confident	65.4	Low	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-85.6	-20	-175.5	-62.8	-73.5	0	0	0	114.3	F38 I54 L255 Y259 S263 D265 E266 Y271 D272 T273 A354 L358	F38-F269 HydrophobicContact CE1-CE1 4.27Å; F38-F269 HydrophobicContact CE1-CE2 4.06Å; F38-F269 AromaticContact CE1-CZ 3.88Å; F38-F269 HydrophobicContact CE1-CZ 3.88Å; F38-F269 HydrophobicContact CE2-CZ 4.47Å; F38-F269 HydrophobicContact CZ-CE1 4.07Å; F38-F269 AromaticContact CZ-CE2 3.85Å; F38-F269 HydrophobicContact CZ-CE2 3.85Å; F38-F269 AromaticContact CZ-CZ 3.43Å; F38-F269 HydrophobicContact CZ-CZ 3.43Å; F38-F269 VanDerWaalsContact CZ-CZ 3.43Å; I54-F269 HydrophobicContact CG2-CD1 3.86Å; I54-F269 HydrophobicContact CG2-CE1 3.88Å; L255-F269 HydrophobicContact CD1-CD1 3.48Å; L255-F269 VanDerWaalsContact CD1-CD1 3.48Å; L255-F269 HydrophobicContact CD1-CE1 3.56Å; L255-F269 HydrophobicContact CD1-CG 4.37Å; L255-F269 HydrophobicContact CD1-CZ 4.49Å; Y259-F269 AromaticContact CD2-CE1 3.83Å; Y259-F269 HydrophobicContact CD2-CE1 3.83Å; Y259-F269 HydrophobicContact CD2-CZ 4.31Å; Y259-F269 HydrophobicContact CG-CE1 4.5Å; S263-F269 WeakPolarHBondContact O-CE2 3.43Å; D265-F269 VanDerWaalsContact O-CD2 3.23Å; D265-F269 WeakPolarHBondContact O-CD2 3.4Å; E266-F269 PolarHBondContact O-N 3.13Å; F269-Y271 PolarHBondContact O-N 3.19Å; F269-D272 PolarHBondContact O-N 2.83Å; F269-T273 PolarHBondContact O-OG1 3.33Å; F269-A354 HydrophobicContact CD1-CB 3.89Å; F269-A354 HydrophobicContact CE1-CB 4.39Å; F269-A354 HydrophobicContact CG-CB 4.26Å; F269-L358 HydrophobicContact CB-CD1 4.17Å; F269-L358 HydrophobicContact CD2-CD1 3.5Å; F269-L358 VanDerWaalsContact CD2-CD1 3.5Å; F269-L358 HydrophobicContact CE2-CD1 4.25Å; F269-L358 HydrophobicContact CG-CD1 4.03Å
270	T	62.9	Low	63	Low	60 Å²	60	45.2 Å²	45.2	37%	0.368	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-27.3	172.6	45.5	0	0	0	0	112.3	E266 T267 T273 V274	E266-T270 VanDerWaalsContact O-CG2 3.31Å; E266-T270 WeakPolarHBondContact O-CG2 3.31Å; E266-T270 PolarHBondContact O-N 3.28Å; E266-T270 VanDerWaalsContact O-N 3.1Å; E266-T270 PolarHBondContact O-OG1 3.03Å; E266-T270 VanDerWaalsContact O-OG1 3.05Å; T267-T270 PolarHBondContact O-OG1 3.48Å; T270-T273 PolarHBondContact O-N 3.06Å; T270-V274 PolarHBondContact O-N 3.41Å
271	Y	58	Low	60.3	Low	90 Å²	90	47.3 Å²	47.3	35%	0.353	25%	0.248	S	C	.	.	H	α-helix	trans	-70.3	-34.2	176.4	-63	-62.8	0	0	0	113.6	T267 F269 T273 V274 Q275	T267-Y271 WeakPolarHBondContact O-CD2 3.44Å; T267-Y271 WeakPolarHBondContact O-CE2 3.49Å; F269-Y271 PolarHBondContact O-N 3.19Å; Y271-T273 PolarHBondContact O-N 3.17Å; Y271-V274 PolarHBondContact O-N 3.1Å; Y271-Q275 WeakPolarHBondContact O-CA 3.42Å; Y271-Q275 PolarHBondContact O-N 3.46Å
272	D	51.3	Low	57.5	Low	16 Å²	16	52.4 Å²	52.4	9%	0.086	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-30.5	176.2	-166.8	51.1	0	0	0	111.2	I54 H55 L255 F269	I54-D272 WeakPolarHBondContact CA-OD2 3.4Å; H55-D272 IonicContact CE1-OD2 3.57Å; H55-D272 IonicContact CG-OD2 3.68Å; H55-D272 PolarHBondContact N-OD2 3.24Å; H55-D272 VanDerWaalsContact N-OD2 3.1Å; H55-D272 IonicContact ND1-OD1 2.82Å; H55-D272 IonicContact ND1-OD2 3.74Å; H55-D272 PolarHBondContact ND1-OD2 2.95Å; L255-D272 HydrophobicContact CD2-CB 3.94Å; F269-D272 PolarHBondContact O-N 2.83Å
273	T	51.4	Low	54.8	Low	19 Å²	19	59.2 Å²	59.2	12%	0.117	31%	0.309	C	S	.	.	H	α-helix	trans	-79.6	-21.9	179.2	-36.4	0	0	0	0	113.5	F269 T270 Y271 L324 I325	F269-T273 PolarHBondContact O-OG1 3.33Å; T270-T273 PolarHBondContact O-N 3.06Å; Y271-T273 PolarHBondContact O-N 3.17Å; T273-L324 HydrophobicContact CG2-CB 4.26Å; T273-L324 WeakPolarHBondContact O-CD1 3.46Å; T273-I325 HydrophobicContact CG2-CD1 3.42Å; T273-I325 VanDerWaalsContact CG2-CD1 3.42Å; T273-I325 HydrophobicContact CG2-CG1 4.42Å
274	V	52.4	Low	52.6	Low	20 Å²	20	62.1 Å²	62.1	12%	0.121	32%	0.322	C	S	.	.	H	α-helix	trans	-111.6	-34.8	-173.7	-179.7	0	0	0	0	112.6	T270 Y271 V276 F320 L324	T270-V274 PolarHBondContact O-N 3.41Å; Y271-V274 PolarHBondContact O-N 3.1Å; V274-V276 HydrophobicContact CG1-CB 4.09Å; V274-V276 WeakPolarHBondContact O-CG2 3.35Å; V274-V276 PolarHBondContact O-N 2.97Å; V274-F320 HydrophobicContact CG1-CB 3.75Å; V274-F320 HydrophobicContact CG1-CD2 3.4Å; V274-F320 VanDerWaalsContact CG1-CD2 3.4Å; V274-F320 HydrophobicContact CG1-CE2 4.05Å; V274-F320 HydrophobicContact CG1-CG 3.66Å; V274-F320 HydrophobicContact CG2-CB 3.94Å; V274-L324 HydrophobicContact CG2-CD1 4.32Å
275	Q	49.7	Very low	50.3	Low	93 Å²	93	64.2 Å²	64.2	44%	0.435	33%	0.331	S	S	.	.			trans	41.7	2.7	-175.9	-64.5	-175.3	-10.7	0	0	117.6	F166 N169 Y271 G277	F166-Q275 HydrophobicContact CD1-CB 3.99Å; F166-Q275 HydrophobicContact CE1-CB 3.75Å; N169-Q275 PolarHBondContact ND2-O 3.32Å; Y271-Q275 WeakPolarHBondContact O-CA 3.42Å; Y271-Q275 PolarHBondContact O-N 3.46Å; Q275-G277 PolarHBondContact O-N 3.39Å
276	V	47.2	Very low	47.9	Very low	6 Å²	6	65.7 Å²	65.7	4%	0.036	35%	0.352	C	S	.	.			trans	-92.5	98.3	174	173.5	0	0	0	0	106.2	I162 M165 F166 V274 L278 F320	I162-V276 HydrophobicContact CD1-CG2 4.38Å; M165-V276 HydrophobicContact CE-CB 4.24Å; M165-V276 HydrophobicContact CE-CG1 3.44Å; M165-V276 VanDerWaalsContact CE-CG1 3.44Å; M165-V276 HydrophobicContact CE-CG2 4.04Å; F166-V276 HydrophobicContact CE2-CG2 4.4Å; F166-V276 HydrophobicContact CZ-CG2 3.98Å; V274-V276 HydrophobicContact CG1-CB 4.09Å; V274-V276 WeakPolarHBondContact O-CG2 3.35Å; V274-V276 PolarHBondContact O-N 2.97Å; V276-L278 HydrophobicContact CG1-CD1 3.86Å; V276-L278 HydrophobicContact CG1-CD2 4.1Å; V276-L278 HydrophobicContact CG1-CG 3.65Å; V276-L278 PolarHBondContact O-N 2.87Å; V276-F320 HydrophobicContact CB-CD2 4.48Å; V276-F320 HydrophobicContact CB-CE2 3.74Å; V276-F320 HydrophobicContact CB-CZ 4.26Å; V276-F320 HydrophobicContact CG1-CE2 3.69Å; V276-F320 HydrophobicContact CG1-CZ 4.34Å; V276-F320 HydrophobicContact CG2-CE2 3.89Å; V276-F320 HydrophobicContact CG2-CZ 3.88Å
277	G	42.7	Very low	45.8	Very low	36 Å²	36	68.1 Å²	68.1	37%	0.371	36%	0.363	S	S	.	.			trans	-74.1	61.6	-171.1	0	0	0	0	0	114.4	Q275	Q275-G277 PolarHBondContact O-N 3.39Å
278	L	40.6	Very low	44	Very low	9 Å²	9	69.8 Å²	69.8	5%	0.047	37%	0.368	C	S	.	.			trans	-76	-29.9	-176.8	-65.7	173.1	0	0	0	113.7	A223 V276 H280 E313 I316	A223-L278 HydrophobicContact CB-CD2 4.16Å; V276-L278 HydrophobicContact CG1-CD1 3.86Å; V276-L278 HydrophobicContact CG1-CD2 4.1Å; V276-L278 HydrophobicContact CG1-CG 3.65Å; V276-L278 PolarHBondContact O-N 2.87Å; L278-H280 PolarHBondContact O-N 3.4Å; L278-E313 VanDerWaalsContact C-OE1 3.3Å; L278-E313 HydrophobicContact CB-CG 3.88Å; L278-I316 HydrophobicContact CD1-CB 3.66Å; L278-I316 HydrophobicContact CD1-CD1 4.34Å; L278-I316 HydrophobicContact CD1-CG2 3.38Å
279	K	40.1	Very low	41.8	Very low	114 Å²	114	79.9 Å²	79.9	50%	0.496	41%	0.405	S	S	.	.	S	Bend	trans	-71.8	122.1	176.6	-75.5	-168.8	173.5	-173.3	0	111.9	R251	R251-K279 PolarHBondContact NH2-O 3.14Å
280	H	39.8	Very low	39.9	Very low	113 Å²	113	86.1 Å²	86.1	52%	0.523	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-61.5	137	158.8	-71	-76	0	0	0	110.2	L278 P282	L278-H280 PolarHBondContact O-N 3.4Å; H280-P282 WeakPolarHBondContact O-CD 3.06Å
281	D	35.2	Very low	38.8	Very low	53 Å²	53	88.5 Å²	88.5	28%	0.283	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-78.2	116.9	163.1	179.5	-1.6	0	0	0	107.6	R250 F283 E284	R250-D281 IonicContact CZ-OD2 3.25Å; R250-D281 IonicContact NH2-OD2 3.23Å; R250-D281 PolarHBondContact NH2-OD2 3.32Å; D281-F283 PolarHBondContact O-N 2.76Å; D281-F283 WeakPolarHBondContact OD1-CB 3.39Å; D281-F283 PolarHBondContact OD1-N 3.4Å; D281-E284 PolarHBondContact O-N 3.26Å
282	P	28.9	Very low	37.7	Very low	110 Å²	110	91 Å²	91	71%	0.714	48%	0.481	S	S	*	.	H	α-helix	trans	-56.9	-23	179.4	-23.1	33	0	0	0	113.5	H280 E284	H280-P282 WeakPolarHBondContact O-CD 3.06Å; P282-E284 PolarHBondContact O-N 2.9Å
283	F	29.6	Very low	36.8	Very low	146 Å²	146	95 Å²	95	64%	0.64	51%	0.506	S	S	*	.	H	α-helix	trans	-67.3	-22.1	-178.3	-148.4	-95.8	0	0	0	113.1	D281	D281-F283 PolarHBondContact O-N 2.76Å; D281-F283 WeakPolarHBondContact OD1-CB 3.39Å; D281-F283 PolarHBondContact OD1-N 3.4Å
284	E	37	Very low	36.1	Very low	71 Å²	71	98.5 Å²	98.5	33%	0.332	53%	0.531	S	S	.	.	H	α-helix	trans	-82.3	-26	-175.9	-142.1	176.1	170.4	0	0	113.2	D281 P282 A286	D281-E284 PolarHBondContact O-N 3.26Å; P282-E284 PolarHBondContact O-N 2.9Å; E284-A286 VanDerWaalsContact C-N 3.27Å; E284-A286 PolarHBondContact O-N 2.84Å
285	M	27.4	Very low	35.3	Very low	123 Å²	123	106.3 Å²	106.3	61%	0.606	57%	0.566	S	S	*	*	H	α-helix	trans	-69.5	-23.9	178.5	-73.2	-58.1	-65.1	0	0	113.1
286	A	27	Very low	34.6	Very low	90 Å²	90	107.3 Å²	107.3	74%	0.744	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-17.3	-175.1	0	0	0	0	0	114.5	E284	E284-A286 VanDerWaalsContact C-N 3.27Å; E284-A286 PolarHBondContact O-N 2.84Å
287	Q	28.6	Very low	34.1	Very low	153 Å²	153	110.3 Å²	110.3	72%	0.715	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	7.3	-173.1	-68.6	-170.6	-13.3	0	0	115.2	R289	Q287-R289 PolarHBondContact O-N 3.25Å
288	L	33.1	Very low	33.6	Very low	115 Å²	115	116 Å²	116	60%	0.602	61%	0.609	S	S	*	*			trans	-98.7	74.2	-177.6	-90.4	150	0	0	0	112.7
289	R	25.2	Very low	33.2	Very low	240 Å²	240	124.6 Å²	124.6	91%	0.906	65%	0.646	S	S	*	*			trans	-128.6	87.4	153.9	-79.2	-174.1	179.4	143.6	-0.4	108.1	Q287	Q287-R289 PolarHBondContact O-N 3.25Å
290	V	29.8	Very low	33.2	Very low	132 Å²	132	121.3 Å²	121.3	80%	0.8	64%	0.635	S	S	*	*			trans	-129.7	129.3	172.2	-178.4	0	0	0	0	108.9
291	S	39	Very low	32.9	Very low	110 Å²	110	118.7 Å²	118.7	77%	0.769	63%	0.634	S	S	*	*			trans	-91.5	1.7	-156.3	-38.1	0	0	0	0	116.7
292	N	35	Very low	33	Very low	143 Å²	143	121.2 Å²	121.2	77%	0.765	65%	0.651	S	S	*	*			trans	-130	76.9	-167.5	-71.5	4.8	0	0	0	113.7
293	V	32.7	Very low	33.3	Very low	99 Å²	99	120 Å²	120	60%	0.6	64%	0.637	S	S	*	*			trans	-150.5	87.5	153	-173.5	0	0	0	0	108.3	V297	V293-V297 HydrophobicContact CB-CG2 3.89Å; V293-V297 HydrophobicContact CG1-CG2 3.78Å; V293-V297 WeakPolarHBondContact O-CB 3.46Å; V293-V297 WeakPolarHBondContact O-CG2 3.45Å
294	S	37.5	Very low	33.7	Very low	93 Å²	93	118 Å²	118	65%	0.65	63%	0.633	S	S	*	*			trans	-90.3	-27.2	-174.3	-59.2	0	0	0	0	115.1
295	Q	36.3	Very low	34	Very low	184 Å²	184	121.2 Å²	121.2	86%	0.86	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-25.8	-166.1	-76.3	-179.1	-11	0	0	116.6
296	L	34.8	Very low	34.7	Very low	114 Å²	114	119.5 Å²	119.5	60%	0.597	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-19.7	172.5	-80.4	166.2	0	0	0	112.8	M236 V300	M236-L296 HydrophobicContact CE-CD1 4.29Å; L296-V300 WeakPolarHBondContact O-CG2 3.48Å
297	V	35.4	Very low	35.6	Very low	69 Å²	69	120.9 Å²	120.9	42%	0.418	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	-29.4	175.5	174.2	0	0	0	0	111	V293 K299 V300 A301	V293-V297 HydrophobicContact CB-CG2 3.89Å; V293-V297 HydrophobicContact CG1-CG2 3.78Å; V293-V297 WeakPolarHBondContact O-CB 3.46Å; V293-V297 WeakPolarHBondContact O-CG2 3.45Å; V297-K299 VanDerWaalsContact C-N 3.28Å; V297-K299 PolarHBondContact O-N 3.28Å; V297-V300 CarbonylContact O-C 3.59Å; V297-V300 PolarHBondContact O-N 3.12Å; V297-A301 HydrophobicContact CG1-CB 3.8Å; V297-A301 WeakPolarHBondContact O-CA 3.34Å; V297-A301 WeakPolarHBondContact O-CB 2.97Å; V297-A301 PolarHBondContact O-N 3.12Å
298	E	32.1	Very low	36.6	Very low	155 Å²	155	118.2 Å²	118.2	72%	0.724	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-31.6	-175.6	-153.7	167	-150.1	0	0	113.5
299	K	33.3	Very low	37.5	Very low	189 Å²	189	116.8 Å²	116.8	82%	0.822	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-14.8	173.3	-103.8	-179.6	177.9	176.6	0	114.6	V297 T302	V297-K299 VanDerWaalsContact C-N 3.28Å; V297-K299 PolarHBondContact O-N 3.28Å; K299-T302 PolarHBondContact O-OG1 3.27Å
300	V	39.5	Very low	38.8	Very low	45 Å²	45	113.1 Å²	113.1	27%	0.273	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.5	-26.9	-174.8	178.1	0	0	0	0	111.6	Y229 L296 V297 T302 M303	Y229-V300 HydrophobicContact CD2-CG1 4.29Å; Y229-V300 HydrophobicContact CE2-CG1 3.41Å; Y229-V300 VanDerWaalsContact CE2-CG1 3.41Å; L296-V300 WeakPolarHBondContact O-CG2 3.48Å; V297-V300 CarbonylContact O-C 3.59Å; V297-V300 PolarHBondContact O-N 3.12Å; V300-T302 PolarHBondContact O-N 3.29Å; V300-M303 WeakPolarHBondContact O-CB 3.42Å; V300-M303 PolarHBondContact O-N 3.37Å
301	A	33	Very low	40.1	Very low	59 Å²	59	114.9 Å²	114.9	49%	0.488	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.5	-15.7	176.2	0	0	0	0	0	112.9	V297 M303	V297-A301 HydrophobicContact CG1-CB 3.8Å; V297-A301 WeakPolarHBondContact O-CA 3.34Å; V297-A301 WeakPolarHBondContact O-CB 2.97Å; V297-A301 PolarHBondContact O-N 3.12Å; A301-M303 PolarHBondContact O-N 3.43Å
302	T	36.9	Very low	41	Very low	106 Å²	106	111.5 Å²	111.5	65%	0.65	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-11.3	169.4	54.6	0	0	0	0	112.9	K299 V300 N304	K299-T302 PolarHBondContact O-OG1 3.27Å; V300-T302 PolarHBondContact O-N 3.29Å; T302-N304 PolarHBondContact O-N 3.36Å
303	M	36.3	Very low	42.1	Very low	85 Å²	85	106.9 Å²	106.9	42%	0.419	56%	0.561	S	S	.	*	S	Bend	trans	-79.8	81.5	165.5	-64.6	-177.6	74.6	0	0	108.2	N225 V300 A301	N225-M303 VanDerWaalsContact ND2-CE 3.32Å; N225-M303 WeakPolarHBondContact ND2-CE 3.35Å; V300-M303 WeakPolarHBondContact O-CB 3.42Å; V300-M303 PolarHBondContact O-N 3.37Å; A301-M303 PolarHBondContact O-N 3.43Å
304	N	37.7	Very low	43.3	Very low	103 Å²	103	106.9 Å²	106.9	55%	0.551	56%	0.561	S	S	*	*			trans	-56.7	141.6	178.2	-81.1	-24.1	0	0	0	110.9	T302 S306 D307	T302-N304 PolarHBondContact O-N 3.36Å; N304-S306 WeakPolarHBondContact CB-OG 3.46Å; N304-S306 PolarHBondContact O-N 2.85Å; N304-D307 PolarHBondContact O-N 3.42Å
305	Q	42.9	Very low	45	Very low	139 Å²	139	106.3 Å²	106.3	65%	0.65	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-57.1	-1.6	167.5	-149.4	167.5	15.5	0	0	113.4	D307 F308	Q305-D307 VanDerWaalsContact C-N 3.34Å; Q305-F308 HydrophobicContact CB-CD2 4.41Å; Q305-F308 HydrophobicContact CB-CE2 4.48Å; Q305-F308 HydrophobicContact CG-CD2 3.93Å; Q305-F308 HydrophobicContact CG-CE2 4Å; Q305-F308 VanDerWaalsContact O-CD2 3.32Å; Q305-F308 WeakPolarHBondContact O-CD2 3.42Å
306	S	42.8	Very low	46.9	Very low	86 Å²	86	98 Å²	98	60%	0.601	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-78.1	-12.4	175	59.1	0	0	0	0	114.2	N304 F308	N304-S306 WeakPolarHBondContact CB-OG 3.46Å; N304-S306 PolarHBondContact O-N 2.85Å; S306-F308 VanDerWaalsContact C-N 3.25Å; S306-F308 PolarHBondContact O-N 3.48Å
307	D	45.6	Very low	48.9	Very low	119 Å²	119	94.6 Å²	94.6	64%	0.636	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-84.5	3.2	178.2	-73	-5.1	0	0	0	113.1	N304 Q305 D309	N304-D307 PolarHBondContact O-N 3.42Å; Q305-D307 VanDerWaalsContact C-N 3.34Å; D307-D309 PolarHBondContact O-N 3.43Å
308	F	50.2	Low	51.2	Low	97 Å²	97	93.9 Å²	93.9	43%	0.425	50%	0.496	S	S	.	.			trans	-87.3	88.4	177.6	-65.9	-72.3	0	0	0	110.6	Q226 Q305 S306 E310	Q226-F308 HydrophobicContact CG-CE1 4.4Å; Q305-F308 HydrophobicContact CB-CD2 4.41Å; Q305-F308 HydrophobicContact CB-CE2 4.48Å; Q305-F308 HydrophobicContact CG-CD2 3.93Å; Q305-F308 HydrophobicContact CG-CE2 4Å; Q305-F308 VanDerWaalsContact O-CD2 3.32Å; Q305-F308 WeakPolarHBondContact O-CD2 3.42Å; S306-F308 VanDerWaalsContact C-N 3.25Å; S306-F308 PolarHBondContact O-N 3.48Å; F308-E310 PolarHBondContact O-N 2.84Å; F308-E310 VanDerWaalsContact O-N 3.07Å
309	D	51.1	Low	53.7	Low	86 Å²	86	88.8 Å²	88.8	46%	0.46	47%	0.47	S	S	.	.			trans	-70.5	95.8	165.7	-65.8	-37.6	0	0	0	108.8	R222 D307 E311 E312 E313	R222-D309 IonicContact CZ-OD2 3.22Å; R222-D309 IonicContact NH1-OD2 2.72Å; R222-D309 PolarHBondContact NH1-OD2 2.92Å; R222-D309 IonicContact NH2-OD2 3.74Å; D307-D309 PolarHBondContact O-N 3.43Å; D309-E311 PolarHBondContact O-N 2.78Å; D309-E312 HydrophobicContact CB-CB 4.19Å; D309-E312 PolarHBondContact O-N 2.95Å; D309-E313 PolarHBondContact O-N 3.5Å
310	E	53.1	Low	56.1	Low	163 Å²	163	79.9 Å²	79.9	76%	0.762	43%	0.431	S	S	*	.	H	α-helix	trans	-49.9	-34.1	174.4	-70	-175.5	172.1	0	0	111.7	F308 E312 E313 V314	F308-E310 PolarHBondContact O-N 2.84Å; F308-E310 VanDerWaalsContact O-N 3.07Å; E310-E312 VanDerWaalsContact C-N 3.35Å; E310-E312 PolarHBondContact O-N 2.97Å; E310-E313 PolarHBondContact O-N 2.6Å; E310-V314 WeakPolarHBondContact O-CB 3.35Å; E310-V314 WeakPolarHBondContact O-CG2 3.25Å; E310-V314 PolarHBondContact O-N 3.31Å
311	E	56.2	Low	58.3	Low	169 Å²	169	85.9 Å²	85.9	79%	0.79	45%	0.449	S	S	*	.	H	α-helix	trans	-61.3	-37.7	177.9	-168.6	173.7	-173.6	0	0	113	D309 N315	D309-E311 PolarHBondContact O-N 2.78Å; E311-N315 WeakPolarHBondContact O-CB 3.41Å; E311-N315 PolarHBondContact O-N 2.82Å
312	E	58.7	Low	61	Low	38 Å²	38	86.7 Å²	86.7	18%	0.178	44%	0.443	C	S	.	.	H	α-helix	trans	-80.9	-33.6	-178.8	-154.3	-172	-160.3	0	0	112.4	R222 D309 E310 V314 N315 I316	R222-E312 WeakPolarHBondContact CD-OE2 3.28Å; R222-E312 IonicContact CZ-OE2 2.68Å; R222-E312 IonicContact NE-OE2 2.66Å; R222-E312 PolarHBondContact NE-OE2 3.39Å; R222-E312 IonicContact NH1-OE2 3.86Å; R222-E312 PolarHBondContact NH1-OE2 3.28Å; D309-E312 HydrophobicContact CB-CB 4.19Å; D309-E312 PolarHBondContact O-N 2.95Å; E310-E312 VanDerWaalsContact C-N 3.35Å; E310-E312 PolarHBondContact O-N 2.97Å; E312-V314 VanDerWaalsContact C-N 3.34Å; E312-N315 WeakPolarHBondContact O-CA 3.05Å; E312-N315 VanDerWaalsContact O-CB 3.31Å; E312-N315 WeakPolarHBondContact O-CB 3.48Å; E312-N315 PolarHBondContact O-N 3.04Å; E312-N315 VanDerWaalsContact O-N 3.12Å; E312-I316 PolarHBondContact O-N 3.07Å
313	E	57.1	Low	63.6	Low	47 Å²	47	82.8 Å²	82.8	22%	0.22	42%	0.417	C	S	.	.	H	α-helix	trans	-62.8	-44	171	-163.1	-154.9	137.3	0	0	110.7	L278 D309 E310 N315 I316 N317	L278-E313 VanDerWaalsContact C-OE1 3.3Å; L278-E313 HydrophobicContact CB-CG 3.88Å; D309-E313 PolarHBondContact O-N 3.5Å; E310-E313 PolarHBondContact O-N 2.6Å; E313-N315 PolarHBondContact O-N 2.97Å; E313-I316 PolarHBondContact O-N 3.36Å; E313-N317 WeakPolarHBondContact O-CB 3.31Å; E313-N317 PolarHBondContact O-N 3.36Å; E313-N317 PolarHBondContact O-ND2 3.23Å; E313-N317 PolarHBondContact OE1-ND2 3.19Å
314	V	58.2	Low	66.1	Low	99 Å²	99	79.1 Å²	79.1	60%	0.6	40%	0.399	S	S	*	.	H	α-helix	trans	-57.4	-37.9	172.8	170.4	0	0	0	0	110.4	E310 E312 A318	E310-V314 WeakPolarHBondContact O-CB 3.35Å; E310-V314 WeakPolarHBondContact O-CG2 3.25Å; E310-V314 PolarHBondContact O-N 3.31Å; E312-V314 VanDerWaalsContact C-N 3.34Å; V314-A318 WeakPolarHBondContact O-CB 3.31Å; V314-A318 PolarHBondContact O-N 2.8Å
315	N	73.8	Confident	68.6	Low	80 Å²	80	75.3 Å²	75.3	43%	0.428	38%	0.378	S	S	.	.	H	α-helix	trans	-67.3	-47.2	178.1	-167	-13.5	0	0	0	112.9	E311 E312 E313 A318 Y319	E311-N315 WeakPolarHBondContact O-CB 3.41Å; E311-N315 PolarHBondContact O-N 2.82Å; E312-N315 WeakPolarHBondContact O-CA 3.05Å; E312-N315 VanDerWaalsContact O-CB 3.31Å; E312-N315 WeakPolarHBondContact O-CB 3.48Å; E312-N315 PolarHBondContact O-N 3.04Å; E312-N315 VanDerWaalsContact O-N 3.12Å; E313-N315 PolarHBondContact O-N 2.97Å; N315-A318 PolarHBondContact O-N 3.41Å; N315-Y319 WeakPolarHBondContact O-CB 3.31Å; N315-Y319 PolarHBondContact O-N 3.02Å
316	I	76.3	Confident	70.9	Confident	10 Å²	10	71.6 Å²	71.6	5%	0.051	36%	0.361	C	S	.	.	H	α-helix	trans	-67.3	-42.9	179.7	-60	169.8	0	0	0	111.2	Q219 L278 E312 E313 A318 Y319 F320	Q219-I316 HydrophobicContact CB-CD1 3.78Å; Q219-I316 HydrophobicContact CB-CG1 4.04Å; Q219-I316 HydrophobicContact CG-CD1 4.19Å; Q219-I316 HydrophobicContact CG-CG1 4.07Å; L278-I316 HydrophobicContact CD1-CB 3.66Å; L278-I316 HydrophobicContact CD1-CD1 4.34Å; L278-I316 HydrophobicContact CD1-CG2 3.38Å; E312-I316 PolarHBondContact O-N 3.07Å; E313-I316 PolarHBondContact O-N 3.36Å; I316-A318 VanDerWaalsContact C-N 3.34Å; I316-A318 PolarHBondContact O-N 3.46Å; I316-Y319 WeakPolarHBondContact O-CB 3.39Å; I316-Y319 PolarHBondContact O-N 3.42Å; I316-F320 HydrophobicContact CG2-CD2 3.68Å; I316-F320 HydrophobicContact CG2-CE2 3.33Å; I316-F320 HydrophobicContact CG2-CZ 4.1Å; I316-F320 WeakPolarHBondContact O-CD2 3.38Å; I316-F320 PolarHBondContact O-N 3.33Å
317	N	77	Confident	73.4	Confident	42 Å²	42	72 Å²	72	23%	0.225	35%	0.352	C	S	.	.	H	α-helix	trans	-62.2	-41.5	176.3	-76.7	-35.8	0	0	0	111.7	E313 R321	E313-N317 WeakPolarHBondContact O-CB 3.31Å; E313-N317 PolarHBondContact O-N 3.36Å; E313-N317 PolarHBondContact O-ND2 3.23Å; E313-N317 PolarHBondContact OE1-ND2 3.19Å; N317-R321 WeakPolarHBondContact O-CB 3.41Å; N317-R321 PolarHBondContact O-N 2.95Å
318	A	82.7	Confident	75.8	Confident	55 Å²	55	66.8 Å²	66.8	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-42.5	174.8	0	0	0	0	0	111.7	V314 N315 I316 R321 Q322	V314-A318 WeakPolarHBondContact O-CB 3.31Å; V314-A318 PolarHBondContact O-N 2.8Å; N315-A318 PolarHBondContact O-N 3.41Å; I316-A318 VanDerWaalsContact C-N 3.34Å; I316-A318 PolarHBondContact O-N 3.46Å; A318-R321 PolarHBondContact O-N 3.49Å; A318-Q322 WeakPolarHBondContact O-CB 3.07Å; A318-Q322 PolarHBondContact O-N 2.89Å
319	Y	85.3	Confident	78	Confident	48 Å²	48	62.2 Å²	62.2	19%	0.188	30%	0.303	C	S	.	.	H	α-helix	trans	-57.5	-51.9	174.9	175.5	-93.3	0	0	0	111.7	P211 L215 N315 I316 R321 Q322 E323	P211-Y319 WeakPolarHBondContact O-CE1 3.39Å; P211-Y319 PolarHBondContact O-OH 2.67Å; L215-Y319 HydrophobicContact CD2-CD1 3.44Å; L215-Y319 VanDerWaalsContact CD2-CD1 3.44Å; L215-Y319 HydrophobicContact CD2-CE1 3.42Å; L215-Y319 VanDerWaalsContact CD2-CE1 3.42Å; L215-Y319 HydrophobicContact CD2-CG 4.24Å; L215-Y319 HydrophobicContact CG-CD1 4.45Å; L215-Y319 HydrophobicContact CG-CE1 4Å; N315-Y319 WeakPolarHBondContact O-CB 3.31Å; N315-Y319 PolarHBondContact O-N 3.02Å; I316-Y319 WeakPolarHBondContact O-CB 3.39Å; I316-Y319 PolarHBondContact O-N 3.42Å; Y319-R321 PolarHBondContact O-N 3.42Å; Y319-Q322 WeakPolarHBondContact O-CB 3.18Å; Y319-Q322 PolarHBondContact O-N 3.28Å; Y319-Q322 VanDerWaalsContact O-N 3.12Å; Y319-E323 HydrophobicContact CD1-CG 4.33Å; Y319-E323 HydrophobicContact CD2-CG 4.07Å; Y319-E323 HydrophobicContact CE1-CG 3.91Å; Y319-E323 HydrophobicContact CE2-CG 3.62Å; Y319-E323 HydrophobicContact CG-CG 4.4Å; Y319-E323 PolarHBondContact O-N 3.27Å
320	F	84.6	Confident	80.3	Confident	1 Å²	1	61.4 Å²	61.4	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-40.5	178.8	-72.5	-46	0	0	0	112.7	L212 L215 V274 V276 I316 Q322 E323 L324	L212-F320 HydrophobicContact CD2-CE1 3.83Å; L212-F320 HydrophobicContact CD2-CZ 4.41Å; L215-F320 HydrophobicContact CD1-CE1 3.87Å; L215-F320 HydrophobicContact CD1-CZ 3.61Å; L215-F320 HydrophobicContact CD2-CE1 4.3Å; L215-F320 HydrophobicContact CD2-CZ 4.33Å; L215-F320 HydrophobicContact CG-CE1 4.42Å; L215-F320 HydrophobicContact CG-CZ 4.49Å; V274-F320 HydrophobicContact CG1-CB 3.75Å; V274-F320 HydrophobicContact CG1-CD2 3.4Å; V274-F320 VanDerWaalsContact CG1-CD2 3.4Å; V274-F320 HydrophobicContact CG1-CE2 4.05Å; V274-F320 HydrophobicContact CG1-CG 3.66Å; V274-F320 HydrophobicContact CG2-CB 3.94Å; V276-F320 HydrophobicContact CB-CD2 4.48Å; V276-F320 HydrophobicContact CB-CE2 3.74Å; V276-F320 HydrophobicContact CB-CZ 4.26Å; V276-F320 HydrophobicContact CG1-CE2 3.69Å; V276-F320 HydrophobicContact CG1-CZ 4.34Å; V276-F320 HydrophobicContact CG2-CE2 3.89Å; V276-F320 HydrophobicContact CG2-CZ 3.88Å; I316-F320 HydrophobicContact CG2-CD2 3.68Å; I316-F320 HydrophobicContact CG2-CE2 3.33Å; I316-F320 HydrophobicContact CG2-CZ 4.1Å; I316-F320 WeakPolarHBondContact O-CD2 3.38Å; I316-F320 PolarHBondContact O-N 3.33Å; F320-Q322 PolarHBondContact O-N 3.01Å; F320-E323 PolarHBondContact O-N 3.16Å; F320-L324 HydrophobicContact CB-CD1 4.18Å; F320-L324 HydrophobicContact CD1-CD1 3.58Å; F320-L324 HydrophobicContact CD1-CG 4.19Å; F320-L324 HydrophobicContact CE1-CD1 4.29Å; F320-L324 HydrophobicContact CG-CD1 4.15Å; F320-L324 WeakPolarHBondContact O-CA 3.31Å; F320-L324 VanDerWaalsContact O-CB 3.23Å; F320-L324 WeakPolarHBondContact O-CB 3.24Å; F320-L324 PolarHBondContact O-N 3Å
321	R	85.6	Confident	82.4	Confident	172 Å²	172	56.4 Å²	56.4	65%	0.649	27%	0.273	S	S	*	.	I	π-helix	trans	-60.5	-37.8	174.5	-172.2	179.3	-177.6	-177.2	2.3	111.6	N317 A318 Y319 I325 Q326	N317-R321 WeakPolarHBondContact O-CB 3.41Å; N317-R321 PolarHBondContact O-N 2.95Å; A318-R321 PolarHBondContact O-N 3.49Å; Y319-R321 PolarHBondContact O-N 3.42Å; R321-I325 WeakPolarHBondContact O-CB 3.42Å; R321-I325 PolarHBondContact O-N 2.88Å; R321-Q326 PolarHBondContact O-N 3.38Å; R321-Q326 VanDerWaalsContact O-N 3.1Å
322	Q	89.4	Confident	84.4	Confident	76 Å²	76	48.4 Å²	48.4	36%	0.355	24%	0.236	S	C	.	.	I	π-helix	trans	-69.8	-52.6	177.7	-176	62.9	14.9	0	0	111.8	A318 Y319 F320 Q326 K327	A318-Q322 WeakPolarHBondContact O-CB 3.07Å; A318-Q322 PolarHBondContact O-N 2.89Å; Y319-Q322 WeakPolarHBondContact O-CB 3.18Å; Y319-Q322 PolarHBondContact O-N 3.28Å; Y319-Q322 VanDerWaalsContact O-N 3.12Å; F320-Q322 PolarHBondContact O-N 3.01Å; Q322-Q326 PolarHBondContact O-N 3.21Å; Q322-Q326 VanDerWaalsContact OE1-NE2 3.14Å; Q322-Q326 VanDerWaalsContact OE1-OE1 3.09Å; Q322-K327 PolarHBondContact O-N 2.97Å
323	E	90	Very high	86.3	Confident	24 Å²	24	46.7 Å²	46.7	11%	0.112	23%	0.228	C	C	.	.	I	π-helix	trans	-76.8	-48.4	-174	-62.1	-55.9	128.3	0	0	112.6	P211 Y319 F320 K327 R328	P211-E323 HydrophobicContact CB-CB 3.79Å; P211-E323 HydrophobicContact CB-CG 4.42Å; P211-E323 HydrophobicContact CG-CB 4.12Å; Y319-E323 HydrophobicContact CD1-CG 4.33Å; Y319-E323 HydrophobicContact CD2-CG 4.07Å; Y319-E323 HydrophobicContact CE1-CG 3.91Å; Y319-E323 HydrophobicContact CE2-CG 3.62Å; Y319-E323 HydrophobicContact CG-CG 4.4Å; Y319-E323 PolarHBondContact O-N 3.27Å; F320-E323 PolarHBondContact O-N 3.16Å; E323-K327 VanDerWaalsContact CD-NZ 3.26Å; E323-K327 WeakPolarHBondContact OE1-CD 3.28Å; E323-K327 VanDerWaalsContact OE1-CE 3.24Å; E323-K327 WeakPolarHBondContact OE1-CE 2.88Å; E323-K327 IonicContact OE1-NZ 3.71Å; E323-K327 PolarHBondContact OE1-NZ 3.45Å; E323-K327 VanDerWaalsContact OE2-CD 3.22Å; E323-K327 WeakPolarHBondContact OE2-CD 3.45Å; E323-K327 IonicContact OE2-NZ 3.73Å; E323-K327 PolarHBondContact OE2-NZ 3.25Å; E323-R328 WeakPolarHBondContact O-CG 3.15Å
324	L	89.4	Confident	88.3	Confident	8 Å²	8	51.4 Å²	51.4	4%	0.042	25%	0.248	C	C	.	.	I	π-helix	trans	-87.3	-15.1	-171.6	-58.4	178.9	0	0	0	113.8	P211 T273 V274 F320 R328 H356	P211-L324 HydrophobicContact CB-CD2 3.61Å; P211-L324 HydrophobicContact CB-CG 4.36Å; P211-L324 HydrophobicContact CG-CD2 3.91Å; T273-L324 HydrophobicContact CG2-CB 4.26Å; T273-L324 WeakPolarHBondContact O-CD1 3.46Å; V274-L324 HydrophobicContact CG2-CD1 4.32Å; F320-L324 HydrophobicContact CB-CD1 4.18Å; F320-L324 HydrophobicContact CD1-CD1 3.58Å; F320-L324 HydrophobicContact CD1-CG 4.19Å; F320-L324 HydrophobicContact CE1-CD1 4.29Å; F320-L324 HydrophobicContact CG-CD1 4.15Å; F320-L324 WeakPolarHBondContact O-CA 3.31Å; F320-L324 VanDerWaalsContact O-CB 3.23Å; F320-L324 WeakPolarHBondContact O-CB 3.24Å; F320-L324 PolarHBondContact O-N 3Å; L324-R328 VanDerWaalsContact O-CD 3.3Å; L324-R328 WeakPolarHBondContact O-CD 3.46Å; L324-H356 PolarHBondContact O-CE1 3.24Å; L324-H356 VanDerWaalsContact O-CE1 3.28Å
325	I	89.8	Confident	90.2	Very high	22 Å²	22	50.6 Å²	50.6	11%	0.113	23%	0.234	C	C	.	.	I	π-helix	trans	-116.1	-64.7	175.1	-56.3	-67.7	0	0	0	110.7	T273 R321 R328 N329	T273-I325 HydrophobicContact CG2-CD1 3.42Å; T273-I325 VanDerWaalsContact CG2-CD1 3.42Å; T273-I325 HydrophobicContact CG2-CG1 4.42Å; R321-I325 WeakPolarHBondContact O-CB 3.42Å; R321-I325 PolarHBondContact O-N 2.88Å; I325-R328 PolarHBondContact O-N 2.89Å; I325-N329 VanDerWaalsContact O-CB 3.26Å; I325-N329 WeakPolarHBondContact O-CB 3.4Å; I325-N329 PolarHBondContact O-N 3.46Å; I325-N329 PolarHBondContact O-OD1 3.13Å
326	Q	92.2	Very high	91.4	Very high	62 Å²	62	46.8 Å²	46.8	29%	0.29	21%	0.214	S	C	.	.	I	π-helix	trans	-66.9	-50.9	-168.3	-64.8	-178.1	50.8	0	0	112.9	R321 Q322 N329 N330	R321-Q326 PolarHBondContact O-N 3.38Å; R321-Q326 VanDerWaalsContact O-N 3.1Å; Q322-Q326 PolarHBondContact O-N 3.21Å; Q322-Q326 VanDerWaalsContact OE1-NE2 3.14Å; Q322-Q326 VanDerWaalsContact OE1-OE1 3.09Å; Q326-N329 PolarHBondContact O-N 3.34Å; Q326-N330 PolarHBondContact O-N 3Å; Q326-N330 VanDerWaalsContact O-N 3.13Å; Q326-N330 PolarHBondContact O-ND2 3.32Å
327	K	95.3	Very high	92.5	Very high	93 Å²	93	47.5 Å²	47.5	40%	0.404	22%	0.218	S	C	.	.	I	π-helix	trans	-65.7	-39.9	178.6	-75.9	-179.5	174.9	178.6	0	111.9	Q322 E323 N330 R331	Q322-K327 PolarHBondContact O-N 2.97Å; E323-K327 VanDerWaalsContact CD-NZ 3.26Å; E323-K327 WeakPolarHBondContact OE1-CD 3.28Å; E323-K327 VanDerWaalsContact OE1-CE 3.24Å; E323-K327 WeakPolarHBondContact OE1-CE 2.88Å; E323-K327 IonicContact OE1-NZ 3.71Å; E323-K327 PolarHBondContact OE1-NZ 3.45Å; E323-K327 VanDerWaalsContact OE2-CD 3.22Å; E323-K327 WeakPolarHBondContact OE2-CD 3.45Å; E323-K327 IonicContact OE2-NZ 3.73Å; E323-K327 PolarHBondContact OE2-NZ 3.25Å; K327-N330 PolarHBondContact O-N 3.03Å; K327-R331 PolarHBondContact O-N 3.49Å; K327-R331 VanDerWaalsContact O-N 3.07Å
328	R	95.5	Very high	93.5	Very high	10 Å²	10	51 Å²	51	4%	0.038	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-50.4	174.2	-77.9	-175.1	72.4	-152.3	-1.4	111.9	E82 E203 Q208 E323 L324 I325 N330 R331 M332	E82-R328 VanDerWaalsContact CD-NH2 3.33Å; E82-R328 IonicContact OE1-NH2 3.26Å; E82-R328 IonicContact OE2-CZ 2.6Å; E82-R328 IonicContact OE2-NH2 3.31Å; E82-R328 PolarHBondContact OE2-NH2 3.02Å; E203-R328 IonicContact OE1-NE 3.84Å; E203-R328 IonicContact OE2-CZ 3.48Å; E203-R328 VanDerWaalsContact OE2-CZ 3.25Å; E203-R328 IonicContact OE2-NE 3.3Å; E203-R328 PolarHBondContact OE2-NE 2.88Å; E203-R328 IonicContact OE2-NH2 2.78Å; E203-R328 PolarHBondContact OE2-NH2 3.18Å; Q208-R328 VanDerWaalsContact OE1-NH2 3.09Å; E323-R328 WeakPolarHBondContact O-CG 3.15Å; L324-R328 VanDerWaalsContact O-CD 3.3Å; L324-R328 WeakPolarHBondContact O-CD 3.46Å; I325-R328 PolarHBondContact O-N 2.89Å; R328-N330 VanDerWaalsContact C-N 3.32Å; R328-N330 PolarHBondContact O-N 3.5Å; R328-R331 VanDerWaalsContact CG-NH2 3.34Å; R328-R331 PolarHBondContact O-N 2.92Å; R328-R331 VanDerWaalsContact O-N 3.13Å; R328-M332 HydrophobicContact CB-CE 4.35Å; R328-M332 WeakPolarHBondContact O-CB 3.37Å; R328-M332 VanDerWaalsContact O-CG 3.27Å; R328-M332 WeakPolarHBondContact O-CG 3.32Å; R328-M332 PolarHBondContact O-N 2.83Å
329	N	97.2	Very high	94.3	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.011	22%	0.216	C	C	.	.	H	α-helix	trans	-55.4	-46.6	177	-73.1	-2.4	0	0	0	112	I325 Q326 R331 M332 A333 H356 N361 V363 L366	I325-N329 VanDerWaalsContact O-CB 3.26Å; I325-N329 WeakPolarHBondContact O-CB 3.4Å; I325-N329 PolarHBondContact O-N 3.46Å; I325-N329 PolarHBondContact O-OD1 3.13Å; Q326-N329 PolarHBondContact O-N 3.34Å; N329-R331 PolarHBondContact O-N 3.38Å; N329-M332 PolarHBondContact O-N 2.85Å; N329-A333 WeakPolarHBondContact O-CB 3.41Å; N329-A333 PolarHBondContact O-N 3.3Å; N329-H356 PolarHBondContact OD1-ND1 3.13Å; N329-N361 PolarHBondContact ND2-O 2.74Å; N329-V363 HydrophobicContact CB-CG2 4.15Å; N329-L366 HydrophobicContact CB-CD1 4.01Å
330	N	98.1	Very high	94.9	Very high	69 Å²	69	47.3 Å²	47.3	37%	0.369	21%	0.207	S	C	.	.	H	α-helix	trans	-59.1	-46.2	177.7	-84.7	-75.9	0	0	0	112.4	Q326 K327 R328 K334	Q326-N330 PolarHBondContact O-N 3Å; Q326-N330 VanDerWaalsContact O-N 3.13Å; Q326-N330 PolarHBondContact O-ND2 3.32Å; K327-N330 PolarHBondContact O-N 3.03Å; R328-N330 VanDerWaalsContact C-N 3.32Å; R328-N330 PolarHBondContact O-N 3.5Å; N330-K334 WeakPolarHBondContact O-CB 3.48Å; N330-K334 VanDerWaalsContact O-CG 3.26Å; N330-K334 WeakPolarHBondContact O-CG 3.43Å; N330-K334 PolarHBondContact O-N 2.72Å; N330-K334 VanDerWaalsContact O-N 3.13Å
331	R	98.1	Very high	95.5	Very high	58 Å²	58	53.2 Å²	53.2	22%	0.219	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-48.4	178.6	176.1	173.8	59.3	-132	7.8	111.9	E203 E207 K327 R328 N329 K334 R335	E203-R331 IonicContact OE1-CZ 2.84Å; E203-R331 VanDerWaalsContact OE1-CZ 3.23Å; E203-R331 IonicContact OE1-NE 2.76Å; E203-R331 PolarHBondContact OE1-NE 3.2Å; E203-R331 IonicContact OE1-NH2 3.89Å; E203-R331 PolarHBondContact OE1-NH2 2.98Å; E207-R331 WeakPolarHBondContact OE1-CD 3.21Å; E207-R331 IonicContact OE1-NE 3.97Å; E207-R331 IonicContact OE2-NE 3.8Å; K327-R331 PolarHBondContact O-N 3.49Å; K327-R331 VanDerWaalsContact O-N 3.07Å; R328-R331 VanDerWaalsContact CG-NH2 3.34Å; R328-R331 PolarHBondContact O-N 2.92Å; R328-R331 VanDerWaalsContact O-N 3.13Å; N329-R331 PolarHBondContact O-N 3.38Å; R331-K334 PolarHBondContact O-N 3.04Å; R331-R335 WeakPolarHBondContact O-CG 3.47Å; R331-R335 PolarHBondContact O-N 3.46Å
332	M	98.5	Very high	96.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.8	-49.3	178.1	-70.1	179.1	-178.5	0	0	110.9	E82 I202 E203 R328 N329 K334 R335 V336 F352 H356 V363	E82-M332 HydrophobicContact CG-CE 4.07Å; I202-M332 HydrophobicContact CG2-CB 3.97Å; I202-M332 HydrophobicContact CG2-CG 3.78Å; E203-M332 HydrophobicContact CG-CE 4.05Å; E203-M332 HydrophobicContact CG-CG 4.22Å; E203-M332 WeakPolarHBondContact OE2-CE 3.44Å; R328-M332 HydrophobicContact CB-CE 4.35Å; R328-M332 WeakPolarHBondContact O-CB 3.37Å; R328-M332 VanDerWaalsContact O-CG 3.27Å; R328-M332 WeakPolarHBondContact O-CG 3.32Å; R328-M332 PolarHBondContact O-N 2.83Å; N329-M332 PolarHBondContact O-N 2.85Å; M332-K334 PolarHBondContact O-N 3.05Å; M332-R335 PolarHBondContact O-N 3.12Å; M332-V336 WeakPolarHBondContact O-CB 3.03Å; M332-V336 VanDerWaalsContact O-CG2 3.27Å; M332-V336 WeakPolarHBondContact O-CG2 3.45Å; M332-V336 PolarHBondContact O-N 3.03Å; M332-F352 HydrophobicContact CB-CE2 4.48Å; M332-F352 HydrophobicContact SD-CD2 4.01Å; M332-F352 HydrophobicContact SD-CE2 4.46Å; M332-F352 HydrophobicContact SD-CG 4.25Å; M332-H356 HydrophobicContact SD-CB 4.48Å; M332-V363 HydrophobicContact CB-CG2 4Å; M332-V363 HydrophobicContact SD-CG2 4.24Å
333	A	98.7	Very high	96.5	Very high	3 Å²	3	50.5 Å²	50.5	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-58.6	-47.2	178.8	0	0	0	0	0	111.7	N329 R335 V336 L337 V363 L366 V367	N329-A333 WeakPolarHBondContact O-CB 3.41Å; N329-A333 PolarHBondContact O-N 3.3Å; A333-R335 VanDerWaalsContact C-N 3.32Å; A333-R335 PolarHBondContact O-N 2.92Å; A333-V336 PolarHBondContact O-N 3.04Å; A333-L337 WeakPolarHBondContact O-CB 3.49Å; A333-L337 WeakPolarHBondContact O-CG 3.39Å; A333-L337 PolarHBondContact O-N 3.27Å; A333-V363 HydrophobicContact CB-CG1 4.45Å; A333-L366 HydrophobicContact CB-CB 3.56Å; A333-L366 HydrophobicContact CB-CD1 3.79Å; A333-L366 HydrophobicContact CB-CG 4.35Å; A333-V367 HydrophobicContact CB-CG2 4.24Å
334	K	98.7	Very high	96.9	Very high	146 Å²	146	53.3 Å²	53.3	64%	0.635	25%	0.247	S	C	*	.	H	α-helix	trans	-57	-44.3	176.1	-75.3	174.2	-178.4	-178.8	0	112.3	N330 R331 M332 L337 F338	N330-K334 WeakPolarHBondContact O-CB 3.48Å; N330-K334 VanDerWaalsContact O-CG 3.26Å; N330-K334 WeakPolarHBondContact O-CG 3.43Å; N330-K334 PolarHBondContact O-N 2.72Å; N330-K334 VanDerWaalsContact O-N 3.13Å; R331-K334 PolarHBondContact O-N 3.04Å; M332-K334 PolarHBondContact O-N 3.05Å; K334-L337 PolarHBondContact O-N 3.46Å; K334-F338 WeakPolarHBondContact O-CB 3.43Å; K334-F338 PolarHBondContact O-N 2.68Å
335	R	98.7	Very high	97.3	Very high	81 Å²	81	63.4 Å²	63.4	31%	0.306	29%	0.285	S	S	.	.	H	α-helix	trans	-69.9	-39.9	179.8	-70.7	177.2	178.3	166.1	2	112.3	I202 E207 R331 M332 A333 F338 L339	I202-R335 HydrophobicContact CD1-CB 4.29Å; I202-R335 HydrophobicContact CG2-CB 4.26Å; I202-R335 WeakPolarHBondContact O-CD 3.18Å; I202-R335 PolarHBondContact O-NH1 3.22Å; E207-R335 IonicContact OE1-CZ 2.81Å; E207-R335 IonicContact OE1-NH1 3.58Å; E207-R335 PolarHBondContact OE1-NH1 2.95Å; E207-R335 IonicContact OE1-NH2 3.65Å; E207-R335 PolarHBondContact OE1-NH2 3.39Å; E207-R335 IonicContact OE2-CZ 3.3Å; E207-R335 IonicContact OE2-NH1 3.41Å; E207-R335 PolarHBondContact OE2-NH1 3.21Å; E207-R335 IonicContact OE2-NH2 3.05Å; R331-R335 WeakPolarHBondContact O-CG 3.47Å; R331-R335 PolarHBondContact O-N 3.46Å; M332-R335 PolarHBondContact O-N 3.12Å; A333-R335 VanDerWaalsContact C-N 3.32Å; A333-R335 PolarHBondContact O-N 2.92Å; R335-F338 PolarHBondContact O-N 2.86Å; R335-L339 WeakPolarHBondContact O-CG 3.27Å; R335-L339 PolarHBondContact O-N 3.18Å
336	V	98.8	Very high	97.7	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-49.4	172.6	169.7	0	0	0	0	110.2	F50 I202 M332 A333 F338 L339 L340 F350 F352 V367	F50-V336 HydrophobicContact CE1-CG1 3.95Å; F50-V336 HydrophobicContact CE1-CG2 4.1Å; F50-V336 HydrophobicContact CZ-CG1 3.76Å; I202-V336 HydrophobicContact CD1-CG2 4.2Å; M332-V336 WeakPolarHBondContact O-CB 3.03Å; M332-V336 VanDerWaalsContact O-CG2 3.27Å; M332-V336 WeakPolarHBondContact O-CG2 3.45Å; M332-V336 PolarHBondContact O-N 3.03Å; A333-V336 PolarHBondContact O-N 3.04Å; V336-F338 VanDerWaalsContact C-N 3.32Å; V336-F338 PolarHBondContact O-N 3.5Å; V336-L339 PolarHBondContact O-N 2.97Å; V336-L339 VanDerWaalsContact O-N 3.17Å; V336-L340 HydrophobicContact CG1-CD1 3.65Å; V336-L340 HydrophobicContact CG1-CG 4.02Å; V336-L340 WeakPolarHBondContact O-CB 3.39Å; V336-L340 VanDerWaalsContact O-CG 3.22Å; V336-L340 WeakPolarHBondContact O-CG 3.21Å; V336-L340 PolarHBondContact O-N 2.93Å; V336-F350 HydrophobicContact CB-CZ 4.44Å; V336-F350 HydrophobicContact CG1-CD2 4.22Å; V336-F350 HydrophobicContact CG1-CE1 4.36Å; V336-F350 HydrophobicContact CG1-CE2 3.78Å; V336-F350 HydrophobicContact CG1-CZ 3.87Å; V336-F350 HydrophobicContact CG2-CD1 3.9Å; V336-F350 HydrophobicContact CG2-CE1 3.94Å; V336-F350 HydrophobicContact CG2-CG 4.26Å; V336-F350 HydrophobicContact CG2-CZ 4.3Å; V336-F352 HydrophobicContact CG2-CE2 4.01Å; V336-F352 HydrophobicContact CG2-CZ 3.89Å; V336-V367 HydrophobicContact CG1-CG2 4.38Å
337	L	98.7	Very high	98	Very high	25 Å²	25	64 Å²	64	13%	0.131	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-43.7	178.5	-69.4	172.6	0	0	0	112.1	A333 K334 L339 L340 Q341 V367 S370 Y372	A333-L337 WeakPolarHBondContact O-CB 3.49Å; A333-L337 WeakPolarHBondContact O-CG 3.39Å; A333-L337 PolarHBondContact O-N 3.27Å; K334-L337 PolarHBondContact O-N 3.46Å; L337-L339 PolarHBondContact O-N 3.37Å; L337-L340 HydrophobicContact CD2-CD1 4.48Å; L337-L340 PolarHBondContact O-N 3.07Å; L337-Q341 WeakPolarHBondContact O-CB 3.35Å; L337-Q341 VanDerWaalsContact O-CG 3.24Å; L337-Q341 WeakPolarHBondContact O-CG 3.32Å; L337-Q341 PolarHBondContact O-N 3.34Å; L337-V367 HydrophobicContact CD2-CB 4.43Å; L337-V367 HydrophobicContact CD2-CG1 4.12Å; L337-V367 HydrophobicContact CD2-CG2 4.17Å; L337-V367 HydrophobicContact CG-CG2 4.24Å; L337-S370 WeakPolarHBondContact CD2-OG 3.41Å; L337-Y372 HydrophobicContact CD2-CD2 3.58Å; L337-Y372 HydrophobicContact CD2-CE2 3.55Å
338	F	98.6	Very high	98.2	Very high	117 Å²	117	59.7 Å²	59.7	51%	0.513	27%	0.268	S	S	.	.	H	α-helix	trans	-57.3	-48.3	174.4	176.2	-96.7	0	0	0	112.1	K334 R335 V336 Q341 K342	K334-F338 WeakPolarHBondContact O-CB 3.43Å; K334-F338 PolarHBondContact O-N 2.68Å; R335-F338 PolarHBondContact O-N 2.86Å; V336-F338 VanDerWaalsContact C-N 3.32Å; V336-F338 PolarHBondContact O-N 3.5Å; F338-Q341 PolarHBondContact O-N 3.06Å; F338-K342 HydrophobicContact CE1-CD 3.78Å; F338-K342 HydrophobicContact CZ-CD 3.72Å; F338-K342 WeakPolarHBondContact O-CB 3.46Å; F338-K342 PolarHBondContact O-N 3.1Å
339	L	98.7	Very high	98.3	Very high	24 Å²	24	59.3 Å²	59.3	13%	0.126	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-44	177.6	-70.9	167.5	0	0	0	111.8	F80 I202 R335 V336 L337 Q341 H343 F348 F350	F80-L339 HydrophobicContact CD1-CD1 3.77Å; F80-L339 HydrophobicContact CD2-CD1 4.37Å; F80-L339 HydrophobicContact CE1-CD1 3.52Å; F80-L339 HydrophobicContact CE1-CD2 4.12Å; F80-L339 HydrophobicContact CE1-CG 4.49Å; F80-L339 HydrophobicContact CE2-CD1 4.16Å; F80-L339 HydrophobicContact CE2-CD2 4.49Å; F80-L339 HydrophobicContact CG-CD1 4.18Å; F80-L339 HydrophobicContact CZ-CD1 3.73Å; F80-L339 HydrophobicContact CZ-CD2 3.77Å; F80-L339 HydrophobicContact CZ-CG 4.41Å; I202-L339 HydrophobicContact CD1-CD1 3.49Å; I202-L339 VanDerWaalsContact CD1-CD1 3.49Å; R335-L339 WeakPolarHBondContact O-CG 3.27Å; R335-L339 PolarHBondContact O-N 3.18Å; V336-L339 PolarHBondContact O-N 2.97Å; V336-L339 VanDerWaalsContact O-N 3.17Å; L337-L339 PolarHBondContact O-N 3.37Å; L339-Q341 VanDerWaalsContact C-N 3.35Å; L339-Q341 PolarHBondContact O-N 2.91Å; L339-H343 PolarHBondContact O-N 3.28Å; L339-H343 VanDerWaalsContact O-N 3.12Å; L339-F348 HydrophobicContact CB-CE1 4.45Å; L339-F348 HydrophobicContact CB-CZ 4.5Å; L339-F350 HydrophobicContact CB-CZ 4.49Å; L339-F350 HydrophobicContact CD1-CE1 3.87Å; L339-F350 HydrophobicContact CD1-CZ 4.38Å
340	L	98.5	Very high	98.4	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-43.9	-179.7	-68.9	172.1	0	0	0	111.3	I42 R44 V336 L337 H343 F348 F350 Y372	I42-L340 HydrophobicContact CD1-CD1 4.14Å; I42-L340 HydrophobicContact CD1-CD2 4.25Å; I42-L340 HydrophobicContact CG2-CD1 4.48Å; R44-L340 VanDerWaalsContact NH1-CB 3.29Å; R44-L340 PolarHBondContact NH1-O 3.15Å; V336-L340 HydrophobicContact CG1-CD1 3.65Å; V336-L340 HydrophobicContact CG1-CG 4.02Å; V336-L340 WeakPolarHBondContact O-CB 3.39Å; V336-L340 VanDerWaalsContact O-CG 3.22Å; V336-L340 WeakPolarHBondContact O-CG 3.21Å; V336-L340 PolarHBondContact O-N 2.93Å; L337-L340 HydrophobicContact CD2-CD1 4.48Å; L337-L340 PolarHBondContact O-N 3.07Å; L340-H343 CarbonylContact O-C 3.48Å; L340-F348 HydrophobicContact CD2-CD2 4.08Å; L340-F350 HydrophobicContact CD2-CE2 4Å; L340-F350 HydrophobicContact CD2-CZ 4.41Å; L340-F350 HydrophobicContact CG-CE2 4.45Å; L340-Y372 HydrophobicContact CB-CE1 4.23Å; L340-Y372 WeakPolarHBondContact CB-OH 3.19Å; L340-Y372 HydrophobicContact CD1-CD1 4.34Å; L340-Y372 HydrophobicContact CD1-CE1 4.09Å; L340-Y372 HydrophobicContact CD1-CE2 4.3Å
341	Q	97.8	Very high	98.4	Very high	125 Å²	125	56 Å²	56	58%	0.584	25%	0.248	S	C	*	.	H	α-helix	trans	-70.9	-44.7	179.5	-72.4	170.9	-9.7	0	0	112.4	L337 F338 L339 H343	L337-Q341 WeakPolarHBondContact O-CB 3.35Å; L337-Q341 VanDerWaalsContact O-CG 3.24Å; L337-Q341 WeakPolarHBondContact O-CG 3.32Å; L337-Q341 PolarHBondContact O-N 3.34Å; F338-Q341 PolarHBondContact O-N 3.06Å; L339-Q341 VanDerWaalsContact C-N 3.35Å; L339-Q341 PolarHBondContact O-N 2.91Å; Q341-H343 PolarHBondContact O-N 3.08Å
342	K	98.1	Very high	98.3	Very high	129 Å²	129	53.2 Å²	53.2	56%	0.561	24%	0.238	S	C	*	.	H	α-helix	trans	-66.3	-26.6	-178.6	-171.6	173.3	-177.6	177.9	0	112.7	F338 P344	F338-K342 HydrophobicContact CE1-CD 3.78Å; F338-K342 HydrophobicContact CZ-CD 3.72Å; F338-K342 WeakPolarHBondContact O-CB 3.46Å; F338-K342 PolarHBondContact O-N 3.1Å; K342-P344 WeakPolarHBondContact O-CD 3.31Å
343	H	98	Very high	98	Very high	62 Å²	62	53.3 Å²	53.3	29%	0.287	24%	0.24	S	C	.	.			trans	-127.2	71	-176.6	-58.7	-64	0	0	0	111.5	R44 L339 L340 Q341 R345 K346 F348	R44-H343 PolarHBondContact NH2-O 3.37Å; L339-H343 PolarHBondContact O-N 3.28Å; L339-H343 VanDerWaalsContact O-N 3.12Å; L340-H343 CarbonylContact O-C 3.48Å; Q341-H343 PolarHBondContact O-N 3.08Å; H343-R345 PolarHBondContact O-N 3Å; H343-K346 HydrophobicContact CB-CB 4.07Å; H343-K346 HydrophobicContact CB-CD 4.17Å; H343-K346 HydrophobicContact CB-CG 4.27Å; H343-K346 PolarHBondContact O-N 3.23Å; H343-F348 HydrophobicContact CB-CE2 3.98Å; H343-F348 HydrophobicContact CB-CZ 3.65Å
344	P	97.3	Very high	97.8	Very high	82 Å²	82	53.2 Å²	53.2	53%	0.532	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.4	-173.9	25.2	-34.4	0	0	0	113.5	R44 K342	R44-P344 PolarHBondContact NH2-O 2.66Å; K342-P344 WeakPolarHBondContact O-CD 3.31Å
345	R	97.8	Very high	97.3	Very high	221 Å²	221	46.6 Å²	46.6	83%	0.834	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	7.6	-178.1	-63.5	-173.3	-71.4	176.4	-2.8	114.6	P46 H343	P46-R345 WeakPolarHBondContact CD-O 3.45Å; H343-R345 PolarHBondContact O-N 3Å
346	K	98.3	Very high	97.1	Very high	88 Å²	88	42.8 Å²	42.8	38%	0.383	20%	0.197	S	C	.	.			trans	-109.6	147	176.4	-67.9	-172.6	164	-163.3	0	111.1	R44 D77 H343 F348	R44-K346 PolarHBondContact NH2-O 3.01Å; D77-K346 HydrophobicContact CB-CB 4.44Å; H343-K346 HydrophobicContact CB-CB 4.07Å; H343-K346 HydrophobicContact CB-CD 4.17Å; H343-K346 HydrophobicContact CB-CG 4.27Å; H343-K346 PolarHBondContact O-N 3.23Å; K346-F348 HydrophobicContact CB-CE2 3.93Å; K346-F348 HydrophobicContact CB-CZ 4.02Å
347	S	98.6	Very high	96.9	Very high	8 Å²	8	43.1 Å²	43.1	6%	0.056	20%	0.199	C	C	.	.			trans	-93.8	148.8	168.8	55	0	0	0	0	110.4	P46 P47 A76 D77 N78	P46-S347 VanDerWaalsContact CG-N 3.34Å; P47-S347 WeakPolarHBondContact O-CB 3.35Å; A76-S347 WeakPolarHBondContact CA-OG 3.33Å; D77-S347 PolarHBondContact N-O 3.3Å; D77-S347 PolarHBondContact N-OG 3.4Å; D77-S347 WeakPolarHBondContact OD2-CB 3.17Å; D77-S347 PolarHBondContact OD2-N 2.9Å; D77-S347 PolarHBondContact OD2-OG 3.31Å; N78-S347 PolarHBondContact N-O 3.48Å; N78-S347 PolarHBondContact ND2-O 2.94Å
348	F	98.8	Very high	96.4	Very high	2 Å²	2	43 Å²	43	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.3	-178.7	-63.5	-87.7	0	0	0	109.8	S48 Y49 N78 F80 L339 L340 H343 K346 F350	S48-F348 CarbonylContact C-O 3.31Å; S48-F348 WeakPolarHBondContact CA-O 3.32Å; S48-F348 WeakPolarHBondContact CB-O 3.43Å; S48-F348 PolarHBondContact OG-N 3.42Å; S48-F348 VanDerWaalsContact OG-N 3.1Å; Y49-F348 PolarHBondContact N-O 2.86Å; N78-F348 HydrophobicContact CB-CD1 3.86Å; N78-F348 HydrophobicContact CB-CE1 4.02Å; N78-F348 CarbonylContact O-C 3.47Å; N78-F348 WeakPolarHBondContact O-CA 3.32Å; F80-F348 AromaticContact CD2-CD1 3.79Å; F80-F348 HydrophobicContact CD2-CD1 3.79Å; F80-F348 HydrophobicContact CD2-CE1 4.3Å; F80-F348 AromaticContact CE2-CD1 3.69Å; F80-F348 HydrophobicContact CE2-CD1 3.69Å; F80-F348 AromaticContact CE2-CE1 3.72Å; F80-F348 HydrophobicContact CE2-CE1 3.72Å; L339-F348 HydrophobicContact CB-CE1 4.45Å; L339-F348 HydrophobicContact CB-CZ 4.5Å; L340-F348 HydrophobicContact CD2-CD2 4.08Å; H343-F348 HydrophobicContact CB-CE2 3.98Å; H343-F348 HydrophobicContact CB-CZ 3.65Å; K346-F348 HydrophobicContact CB-CE2 3.93Å; K346-F348 HydrophobicContact CB-CZ 4.02Å; F348-F350 HydrophobicContact CB-CD2 3.98Å; F348-F350 HydrophobicContact CB-CE1 4.22Å; F348-F350 HydrophobicContact CB-CE2 3.31Å; F348-F350 HydrophobicContact CB-CZ 3.45Å; F348-F350 VanDerWaalsContact CB-CZ 3.45Å; F348-F350 HydrophobicContact CD1-CE1 4.45Å; F348-F350 HydrophobicContact CD1-CZ 4.01Å; F348-F350 HydrophobicContact CD2-CZ 4.41Å; F348-F350 HydrophobicContact CG-CE2 4.01Å; F348-F350 AromaticContact CG-CZ 3.71Å; F348-F350 HydrophobicContact CG-CZ 3.71Å
349	F	98.8	Very high	95.9	Very high	3 Å²	3	38.4 Å²	38.4	1%	0.013	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	105.9	165.8	-169.7	-82.8	0	0	0	108.4	L39 F51 A72 F73 A76 N78 V79 F80 A351	L39-F349 HydrophobicContact CD1-CE2 3.89Å; L39-F349 HydrophobicContact CD1-CZ 4.42Å; F51-F349 HydrophobicContact CB-CD1 4.46Å; F51-F349 HydrophobicContact CB-CE1 3.47Å; F51-F349 VanDerWaalsContact CB-CE1 3.47Å; F51-F349 HydrophobicContact CB-CE2 4.11Å; F51-F349 HydrophobicContact CB-CZ 3.26Å; F51-F349 HydrophobicContact CD1-CE1 4.01Å; F51-F349 AromaticContact CD1-CZ 3.97Å; F51-F349 HydrophobicContact CD1-CZ 3.97Å; F51-F349 HydrophobicContact CD2-CZ 4.26Å; F51-F349 AromaticContact CG-CE1 3.94Å; F51-F349 HydrophobicContact CG-CE1 3.94Å; F51-F349 AromaticContact CG-CZ 3.57Å; F51-F349 HydrophobicContact CG-CZ 3.57Å; A72-F349 HydrophobicContact CB-CD2 4.26Å; A72-F349 HydrophobicContact CB-CE2 4.1Å; F73-F349 VanDerWaalsContact CA-CD2 3.5Å; F73-F349 HydrophobicContact CB-CD2 4.05Å; F73-F349 HydrophobicContact CB-CE1 4.31Å; F73-F349 HydrophobicContact CB-CE2 3.81Å; F73-F349 HydrophobicContact CB-CG 4.38Å; F73-F349 HydrophobicContact CB-CZ 3.93Å; F73-F349 AromaticContact CD2-CD1 3.76Å; F73-F349 HydrophobicContact CD2-CD1 3.76Å; F73-F349 AromaticContact CD2-CE1 3.77Å; F73-F349 HydrophobicContact CD2-CE1 3.77Å; F73-F349 HydrophobicContact CD2-CG 4.22Å; F73-F349 HydrophobicContact CD2-CZ 4.25Å; A76-F349 HydrophobicContact CB-CB 3.69Å; N78-F349 PolarHBondContact O-N 3.43Å; V79-F349 CarbonylContact C-O 3.57Å; V79-F349 WeakPolarHBondContact CA-O 3.47Å; V79-F349 HydrophobicContact CG2-CB 4.15Å; F80-F349 PolarHBondContact N-O 3.37Å; F349-A351 HydrophobicContact CD1-CB 4.26Å; F349-A351 HydrophobicContact CE1-CB 3.94Å
350	F	98.8	Very high	95.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.1	178.3	-62.4	-73.8	0	0	0	109.2	I42 Y49 F50 F51 F80 I202 V336 L339 L340 F348 F352	I42-F350 HydrophobicContact CD1-CD2 4.37Å; I42-F350 HydrophobicContact CD1-CE2 4.37Å; Y49-F350 PolarHBondContact O-N 3.34Å; F50-F350 CarbonylContact C-O 3.51Å; F50-F350 VanDerWaalsContact CA-O 3.32Å; F50-F350 WeakPolarHBondContact CA-O 3.4Å; F50-F350 HydrophobicContact CD1-CB 3.55Å; F50-F350 HydrophobicContact CD1-CD2 4.11Å; F50-F350 HydrophobicContact CD1-CG 4.15Å; F50-F350 HydrophobicContact CE1-CB 3.85Å; F50-F350 AromaticContact CE1-CD2 3.81Å; F50-F350 HydrophobicContact CE1-CD2 3.81Å; F50-F350 AromaticContact CE1-CG 3.97Å; F50-F350 HydrophobicContact CE1-CG 3.97Å; F51-F350 PolarHBondContact N-O 2.94Å; F80-F350 HydrophobicContact CB-CD1 3.48Å; F80-F350 VanDerWaalsContact CB-CD1 3.48Å; F80-F350 HydrophobicContact CB-CE1 3.79Å; F80-F350 HydrophobicContact CD2-CE1 4.14Å; F80-F350 HydrophobicContact CG-CD1 4.19Å; F80-F350 AromaticContact CG-CE1 3.97Å; F80-F350 HydrophobicContact CG-CE1 3.97Å; F80-F350 CarbonylContact O-C 3.24Å; F80-F350 VanDerWaalsContact O-CA 3.29Å; F80-F350 WeakPolarHBondContact O-CA 3.13Å; I202-F350 HydrophobicContact CD1-CD1 4.22Å; I202-F350 HydrophobicContact CD1-CE1 4.07Å; I202-F350 HydrophobicContact CG1-CD1 4.36Å; V336-F350 HydrophobicContact CB-CZ 4.44Å; V336-F350 HydrophobicContact CG1-CD2 4.22Å; V336-F350 HydrophobicContact CG1-CE1 4.36Å; V336-F350 HydrophobicContact CG1-CE2 3.78Å; V336-F350 HydrophobicContact CG1-CZ 3.87Å; V336-F350 HydrophobicContact CG2-CD1 3.9Å; V336-F350 HydrophobicContact CG2-CE1 3.94Å; V336-F350 HydrophobicContact CG2-CG 4.26Å; V336-F350 HydrophobicContact CG2-CZ 4.3Å; L339-F350 HydrophobicContact CB-CZ 4.49Å; L339-F350 HydrophobicContact CD1-CE1 3.87Å; L339-F350 HydrophobicContact CD1-CZ 4.38Å; L340-F350 HydrophobicContact CD2-CE2 4Å; L340-F350 HydrophobicContact CD2-CZ 4.41Å; L340-F350 HydrophobicContact CG-CE2 4.45Å; F348-F350 HydrophobicContact CB-CD2 3.98Å; F348-F350 HydrophobicContact CB-CE1 4.22Å; F348-F350 HydrophobicContact CB-CE2 3.31Å; F348-F350 HydrophobicContact CB-CZ 3.45Å; F348-F350 VanDerWaalsContact CB-CZ 3.45Å; F348-F350 HydrophobicContact CD1-CE1 4.45Å; F348-F350 HydrophobicContact CD1-CZ 4.01Å; F348-F350 HydrophobicContact CD2-CZ 4.41Å; F348-F350 HydrophobicContact CG-CE2 4.01Å; F348-F350 AromaticContact CG-CZ 3.71Å; F348-F350 HydrophobicContact CG-CZ 3.71Å; F350-F352 HydrophobicContact CB-CE1 4.1Å; F350-F352 HydrophobicContact CB-CE2 4.1Å; F350-F352 HydrophobicContact CB-CZ 3.65Å; F350-F352 HydrophobicContact CD1-CE1 4.46Å; F350-F352 AromaticContact CD1-CZ 3.88Å; F350-F352 HydrophobicContact CD1-CZ 3.88Å; F350-F352 HydrophobicContact CG-CZ 4.1Å
351	A	98.3	Very high	95.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	110.2	177.5	0	0	0	0	0	110.8	F51 T53 F80 L81 L188 F349	F51-A351 HydrophobicContact CB-CB 4.36Å; F51-A351 HydrophobicContact CD1-CB 4.18Å; F51-A351 VanDerWaalsContact O-CA 3.28Å; F51-A351 WeakPolarHBondContact O-CA 3.2Å; T53-A351 HydrophobicContact CG2-CB 3.87Å; F80-A351 PolarHBondContact O-N 2.75Å; L81-A351 WeakPolarHBondContact CA-O 3.39Å; L81-A351 HydrophobicContact CD2-CB 3.59Å; L188-A351 HydrophobicContact CD1-CB 4Å; F349-A351 HydrophobicContact CD1-CB 4.26Å; F349-A351 HydrophobicContact CE1-CB 3.94Å
352	F	95.8	Very high	95.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	163.1	-179.6	-47.3	-33.7	0	0	0	109.7	F50 F51 G52 T53 E82 I202 M332 V336 F350 A354 F357 V363	F50-F352 HydrophobicContact CD1-CE2 4.27Å; F50-F352 HydrophobicContact CE1-CE2 4.13Å; F51-F352 PolarHBondContact O-N 3.2Å; F51-F352 VanDerWaalsContact O-N 3.07Å; G52-F352 CarbonylContact C-O 3.45Å; G52-F352 VanDerWaalsContact CA-O 3.29Å; G52-F352 WeakPolarHBondContact CA-O 3.44Å; T53-F352 PolarHBondContact N-O 3.37Å; T53-F352 VanDerWaalsContact OG1-C 3.28Å; T53-F352 PolarHBondContact OG1-O 3.26Å; E82-F352 HydrophobicContact CG-CB 3.9Å; E82-F352 HydrophobicContact CG-CD1 3.73Å; E82-F352 HydrophobicContact CG-CG 4.16Å; E82-F352 WeakPolarHBondContact OE1-CA 3.3Å; E82-F352 WeakPolarHBondContact OE1-CB 3.46Å; I202-F352 HydrophobicContact CB-CE1 3.97Å; I202-F352 HydrophobicContact CB-CZ 4.17Å; I202-F352 HydrophobicContact CD1-CZ 4.49Å; I202-F352 HydrophobicContact CG1-CE1 3.63Å; I202-F352 HydrophobicContact CG1-CZ 3.67Å; I202-F352 HydrophobicContact CG2-CE1 4.38Å; I202-F352 HydrophobicContact CG2-CZ 4.18Å; M332-F352 HydrophobicContact CB-CE2 4.48Å; M332-F352 HydrophobicContact SD-CD2 4.01Å; M332-F352 HydrophobicContact SD-CE2 4.46Å; M332-F352 HydrophobicContact SD-CG 4.25Å; V336-F352 HydrophobicContact CG2-CE2 4.01Å; V336-F352 HydrophobicContact CG2-CZ 3.89Å; F350-F352 HydrophobicContact CB-CE1 4.1Å; F350-F352 HydrophobicContact CB-CE2 4.1Å; F350-F352 HydrophobicContact CB-CZ 3.65Å; F350-F352 HydrophobicContact CD1-CE1 4.46Å; F350-F352 AromaticContact CD1-CZ 3.88Å; F350-F352 HydrophobicContact CD1-CZ 3.88Å; F350-F352 HydrophobicContact CG-CZ 4.1Å; F352-A354 PolarHBondContact O-N 3.02Å; F352-F357 HydrophobicContact CB-CE2 3.91Å; F352-F357 HydrophobicContact CB-CZ 3.69Å; F352-F357 AromaticContact CD2-CE1 3.75Å; F352-F357 HydrophobicContact CD2-CE1 3.75Å; F352-F357 HydrophobicContact CD2-CE2 4.44Å; F352-F357 AromaticContact CD2-CZ 3.42Å; F352-F357 HydrophobicContact CD2-CZ 3.42Å; F352-F357 VanDerWaalsContact CD2-CZ 3.42Å; F352-F357 HydrophobicContact CE2-CE1 4.4Å; F352-F357 HydrophobicContact CE2-CZ 4.27Å; F352-F357 AromaticContact CG-CZ 3.84Å; F352-F357 HydrophobicContact CG-CZ 3.84Å; F352-F357 WeakPolarHBondContact O-CE2 3.41Å; F352-V363 HydrophobicContact CE2-CG1 4.35Å
353	G	93.2	Very high	95.1	Very high	3 Å²	3	38.4 Å²	38.4	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	133.8	174	0	0	0	0	0	111.1	T53 E82 G355 H356	T53-G353 CarbonylContact O-C 3.57Å; T53-G353 WeakPolarHBondContact O-CA 3.47Å; T53-G353 PolarHBondContact OG1-N 3.03Å; E82-G353 PolarHBondContact OE1-N 2.96Å; G353-G355 PolarHBondContact O-N 3.46Å; G353-H356 WeakPolarHBondContact O-CB 3.39Å; G353-H356 PolarHBondContact O-N 3.15Å
354	A	93.1	Very high	95	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-55.1	-30.7	-172.9	0	0	0	0	0	112.9	F38 T53 I54 F269 F352 H356 F357 L358	F38-A354 HydrophobicContact CD1-CB 3.95Å; F38-A354 HydrophobicContact CE1-CB 3.96Å; T53-A354 WeakPolarHBondContact O-CB 3.44Å; T53-A354 PolarHBondContact O-N 3.31Å; I54-A354 HydrophobicContact CG2-CB 4.4Å; F269-A354 HydrophobicContact CD1-CB 3.89Å; F269-A354 HydrophobicContact CE1-CB 4.39Å; F269-A354 HydrophobicContact CG-CB 4.26Å; F352-A354 PolarHBondContact O-N 3.02Å; A354-H356 PolarHBondContact O-N 3.22Å; A354-F357 PolarHBondContact O-N 2.98Å; A354-F357 VanDerWaalsContact O-N 3.08Å; A354-L358 WeakPolarHBondContact O-CG 3.3Å
355	G	89.7	Confident	95.1	Very high	6 Å²	6	33.6 Å²	33.6	6%	0.062	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-57.2	-25.2	174.8	0	0	0	0	0	114.8	G353 F357	G353-G355 PolarHBondContact O-N 3.46Å; G355-F357 VanDerWaalsContact C-N 3.26Å; G355-F357 PolarHBondContact O-N 3.49Å
356	H	94.3	Very high	95.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-75.7	-12.1	177.9	-68.7	-65.7	0	0	0	113.9	E82 L324 N329 M332 G353 A354 S362 V363	E82-H356 IonicContact OE1-CD2 3.01Å; E82-H356 PolarHBondContact OE1-CD2 3.22Å; E82-H356 IonicContact OE1-NE2 2.98Å; L324-H356 PolarHBondContact O-CE1 3.24Å; L324-H356 VanDerWaalsContact O-CE1 3.28Å; N329-H356 PolarHBondContact OD1-ND1 3.13Å; M332-H356 HydrophobicContact SD-CB 4.48Å; G353-H356 WeakPolarHBondContact O-CB 3.39Å; G353-H356 PolarHBondContact O-N 3.15Å; A354-H356 PolarHBondContact O-N 3.22Å; H356-S362 WeakPolarHBondContact O-CB 3.41Å; H356-V363 HydrophobicContact CB-CG2 4.14Å; H356-V363 PolarHBondContact O-N 3.46Å
357	F	94	Very high	95.1	Very high	8 Å²	8	20 Å²	20	4%	0.035	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-109.6	-3.2	-177.9	-57.7	-52	0	0	0	114	W40 F50 F51 F352 A354 G355 V363 I364	W40-F357 HydrophobicContact CE3-CB 4.36Å; W40-F357 HydrophobicContact CE3-CD2 4.38Å; W40-F357 HydrophobicContact CE3-CG 4.32Å; W40-F357 HydrophobicContact CH2-CB 3.68Å; W40-F357 HydrophobicContact CH2-CD2 4.33Å; W40-F357 HydrophobicContact CH2-CG 4.3Å; W40-F357 HydrophobicContact CZ2-CB 4.1Å; W40-F357 HydrophobicContact CZ3-CB 3.82Å; W40-F357 AromaticContact CZ3-CD2 3.76Å; W40-F357 HydrophobicContact CZ3-CD2 3.76Å; W40-F357 AromaticContact CZ3-CG 3.93Å; W40-F357 HydrophobicContact CZ3-CG 3.93Å; F50-F357 HydrophobicContact CB-CD1 4.22Å; F50-F357 HydrophobicContact CB-CE1 3.66Å; F50-F357 HydrophobicContact CB-CE2 4.44Å; F50-F357 HydrophobicContact CB-CZ 3.77Å; F50-F357 AromaticContact CD1-CE1 3.52Å; F50-F357 HydrophobicContact CD1-CE1 3.52Å; F50-F357 AromaticContact CD1-CZ 3.86Å; F50-F357 HydrophobicContact CD1-CZ 3.86Å; F50-F357 HydrophobicContact CD2-CE1 4.46Å; F50-F357 HydrophobicContact CE1-CE1 4.29Å; F50-F357 HydrophobicContact CG-CD1 4.34Å; F50-F357 AromaticContact CG-CE1 3.65Å; F50-F357 HydrophobicContact CG-CE1 3.65Å; F50-F357 HydrophobicContact CG-CZ 4.12Å; F51-F357 VanDerWaalsContact O-CE2 3.3Å; F51-F357 WeakPolarHBondContact O-CE2 3.48Å; F352-F357 HydrophobicContact CB-CE2 3.91Å; F352-F357 HydrophobicContact CB-CZ 3.69Å; F352-F357 AromaticContact CD2-CE1 3.75Å; F352-F357 HydrophobicContact CD2-CE1 3.75Å; F352-F357 HydrophobicContact CD2-CE2 4.44Å; F352-F357 AromaticContact CD2-CZ 3.42Å; F352-F357 HydrophobicContact CD2-CZ 3.42Å; F352-F357 VanDerWaalsContact CD2-CZ 3.42Å; F352-F357 HydrophobicContact CE2-CE1 4.4Å; F352-F357 HydrophobicContact CE2-CZ 4.27Å; F352-F357 AromaticContact CG-CZ 3.84Å; F352-F357 HydrophobicContact CG-CZ 3.84Å; F352-F357 WeakPolarHBondContact O-CE2 3.41Å; A354-F357 PolarHBondContact O-N 2.98Å; A354-F357 VanDerWaalsContact O-N 3.08Å; G355-F357 VanDerWaalsContact C-N 3.26Å; G355-F357 PolarHBondContact O-N 3.49Å; F357-V363 HydrophobicContact CD1-CB 4.2Å; F357-V363 HydrophobicContact CE1-CB 4.15Å; F357-V363 HydrophobicContact CE1-CG1 4.25Å; F357-I364 HydrophobicContact CB-CD1 3.75Å; F357-I364 HydrophobicContact CB-CG1 4.45Å; F357-I364 HydrophobicContact CD1-CD1 4Å; F357-I364 HydrophobicContact CD1-CG1 3.91Å; F357-I364 HydrophobicContact CG-CD1 4.19Å
358	L	88.8	Confident	95.1	Very high	22 Å²	22	24.4 Å²	24.4	12%	0.115	12%	0.12	C	C	.	.	S	Bend	trans	-113.9	153.9	-177.4	-51.9	176.5	0	0	0	110.1	W40 L264 E266 F269 A354	W40-L358 HydrophobicContact CH2-CD2 4.44Å; W40-L358 HydrophobicContact CZ2-CD2 4.21Å; L264-L358 HydrophobicContact CB-CD2 4.29Å; L264-L358 HydrophobicContact CD2-CD2 3.59Å; L264-L358 HydrophobicContact CG-CD2 4.47Å; E266-L358 HydrophobicContact CG-CB 3.66Å; F269-L358 HydrophobicContact CB-CD1 4.17Å; F269-L358 HydrophobicContact CD2-CD1 3.5Å; F269-L358 VanDerWaalsContact CD2-CD1 3.5Å; F269-L358 HydrophobicContact CE2-CD1 4.25Å; F269-L358 HydrophobicContact CG-CD1 4.03Å; A354-L358 WeakPolarHBondContact O-CG 3.3Å
359	G	86.6	Confident	95.1	Very high	21 Å²	21	31 Å²	31	22%	0.216	15%	0.151	C	C	.	.	S	Bend	trans	76.8	-179.2	-178.1	0	0	0	0	0	114.8	E266 S362 D365	E266-G359 WeakPolarHBondContact OE1-CA 2.82Å; E266-G359 PolarHBondContact OE1-N 3.09Å; E266-G359 VanDerWaalsContact OE2-CA 3.28Å; E266-G359 WeakPolarHBondContact OE2-CA 3.3Å; G359-S362 WeakPolarHBondContact O-CB 3.3Å; G359-D365 VanDerWaalsContact O-OD2 3.11Å
360	K	89.5	Confident	95	Very high	195 Å²	195	33.5 Å²	33.5	85%	0.848	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	150	178.5	-64.7	-174.8	178.1	-176.6	0	111.1	S362	K360-S362 PolarHBondContact O-N 3.01Å
361	N	93	Very high	94.9	Very high	80 Å²	80	36.8 Å²	36.8	43%	0.428	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	32.9	-178.8	-54.1	-22.7	0	0	0	111.4	N329 D365	N329-N361 PolarHBondContact ND2-O 2.74Å; N361-D365 PolarHBondContact N-OD2 2.63Å
362	S	95.5	Very high	94.9	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.021	21%	0.212	C	C	.	.			trans	-67.6	164.1	172.7	65	0	0	0	0	110.4	H356 G359 K360 I364 D365 L366	H356-S362 WeakPolarHBondContact O-CB 3.41Å; G359-S362 WeakPolarHBondContact O-CB 3.3Å; K360-S362 PolarHBondContact O-N 3.01Å; S362-I364 PolarHBondContact O-N 2.92Å; S362-D365 PolarHBondContact N-OD2 2.84Å; S362-D365 VanDerWaalsContact N-OD2 3.16Å; S362-D365 PolarHBondContact O-N 3.48Å; S362-D365 VanDerWaalsContact O-N 3.07Å; S362-D365 PolarHBondContact OG-N 3.18Å; S362-D365 VanDerWaalsContact OG-N 3.15Å; S362-D365 PolarHBondContact OG-OD2 3.14Å; S362-L366 WeakPolarHBondContact O-CG 3.45Å; S362-L366 PolarHBondContact O-N 3.4Å
363	V	97.9	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-55.4	-34.8	171.7	173.8	0	0	0	0	110.8	F50 N329 M332 A333 F352 H356 F357 V367	F50-V363 HydrophobicContact CE1-CG1 3.96Å; F50-V363 HydrophobicContact CZ-CG1 3.97Å; N329-V363 HydrophobicContact CB-CG2 4.15Å; M332-V363 HydrophobicContact CB-CG2 4Å; M332-V363 HydrophobicContact SD-CG2 4.24Å; A333-V363 HydrophobicContact CB-CG1 4.45Å; F352-V363 HydrophobicContact CE2-CG1 4.35Å; H356-V363 HydrophobicContact CB-CG2 4.14Å; H356-V363 PolarHBondContact O-N 3.46Å; F357-V363 HydrophobicContact CD1-CB 4.2Å; F357-V363 HydrophobicContact CE1-CB 4.15Å; F357-V363 HydrophobicContact CE1-CG1 4.25Å; V363-V367 HydrophobicContact CG1-CG2 4.33Å; V363-V367 WeakPolarHBondContact O-CB 3.42Å; V363-V367 WeakPolarHBondContact O-CG2 3.32Å; V363-V367 PolarHBondContact O-N 3.37Å
364	I	97.6	Very high	95.3	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-45.2	176.9	-70.5	168.9	0	0	0	111.3	W40 F50 F357 S362 V367 R368 V374	W40-I364 HydrophobicContact CB-CD1 4.19Å; W40-I364 VanDerWaalsContact CD1-CD1 3.48Å; W40-I364 HydrophobicContact CD2-CD1 3.52Å; W40-I364 HydrophobicContact CE3-CD1 4.17Å; W40-I364 HydrophobicContact CG-CD1 3.5Å; W40-I364 VanDerWaalsContact CG-CD1 3.5Å; W40-I364 HydrophobicContact CZ2-CD1 4.24Å; F50-I364 HydrophobicContact CD2-CG1 4.11Å; F357-I364 HydrophobicContact CB-CD1 3.75Å; F357-I364 HydrophobicContact CB-CG1 4.45Å; F357-I364 HydrophobicContact CD1-CD1 4Å; F357-I364 HydrophobicContact CD1-CG1 3.91Å; F357-I364 HydrophobicContact CG-CD1 4.19Å; S362-I364 PolarHBondContact O-N 2.92Å; I364-V367 PolarHBondContact O-N 3Å; I364-R368 HydrophobicContact CG2-CG 4.44Å; I364-R368 VanDerWaalsContact CG2-NH1 3.33Å; I364-R368 WeakPolarHBondContact O-CB 3.43Å; I364-R368 VanDerWaalsContact O-CG 3.27Å; I364-R368 WeakPolarHBondContact O-CG 3.4Å; I364-R368 PolarHBondContact O-N 2.83Å; I364-V374 HydrophobicContact CG1-CG1 4.28Å; I364-V374 HydrophobicContact CG2-CB 4.23Å; I364-V374 HydrophobicContact CG2-CG1 3.99Å
365	D	97.8	Very high	95.4	Very high	40 Å²	40	47.2 Å²	47.2	21%	0.214	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-48.6	-179.8	-61	-32.8	0	0	0	110.7	G359 N361 S362 V367 R368 E369	G359-D365 VanDerWaalsContact O-OD2 3.11Å; N361-D365 PolarHBondContact N-OD2 2.63Å; S362-D365 PolarHBondContact N-OD2 2.84Å; S362-D365 VanDerWaalsContact N-OD2 3.16Å; S362-D365 PolarHBondContact O-N 3.48Å; S362-D365 VanDerWaalsContact O-N 3.07Å; S362-D365 PolarHBondContact OG-N 3.18Å; S362-D365 VanDerWaalsContact OG-N 3.15Å; S362-D365 PolarHBondContact OG-OD2 3.14Å; D365-V367 VanDerWaalsContact C-N 3.29Å; D365-V367 PolarHBondContact O-N 3.44Å; D365-R368 WeakPolarHBondContact O-CB 3.41Å; D365-R368 PolarHBondContact O-N 3.18Å; D365-R368 IonicContact OD1-NH1 2.66Å; D365-E369 VanDerWaalsContact O-CG 3.32Å; D365-E369 WeakPolarHBondContact O-CG 3.38Å; D365-E369 PolarHBondContact O-N 3.3Å
366	L	98.5	Very high	95.5	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.131	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-37.6	179.2	-64	172	0	0	0	112.3	N329 A333 S362 S370	N329-L366 HydrophobicContact CB-CD1 4.01Å; A333-L366 HydrophobicContact CB-CB 3.56Å; A333-L366 HydrophobicContact CB-CD1 3.79Å; A333-L366 HydrophobicContact CB-CG 4.35Å; S362-L366 WeakPolarHBondContact O-CG 3.45Å; S362-L366 PolarHBondContact O-N 3.4Å; L366-S370 PolarHBondContact O-N 2.9Å
367	V	98.6	Very high	95.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-72.1	-35.8	175.9	170.1	0	0	0	0	111.2	F50 A333 V336 L337 V363 I364 D365 S370 Y372 V374	F50-V367 HydrophobicContact CE2-CG1 4.38Å; F50-V367 HydrophobicContact CE2-CG2 4.5Å; F50-V367 HydrophobicContact CZ-CG2 4.07Å; A333-V367 HydrophobicContact CB-CG2 4.24Å; V336-V367 HydrophobicContact CG1-CG2 4.38Å; L337-V367 HydrophobicContact CD2-CB 4.43Å; L337-V367 HydrophobicContact CD2-CG1 4.12Å; L337-V367 HydrophobicContact CD2-CG2 4.17Å; L337-V367 HydrophobicContact CG-CG2 4.24Å; V363-V367 HydrophobicContact CG1-CG2 4.33Å; V363-V367 WeakPolarHBondContact O-CB 3.42Å; V363-V367 WeakPolarHBondContact O-CG2 3.32Å; V363-V367 PolarHBondContact O-N 3.37Å; I364-V367 PolarHBondContact O-N 3Å; D365-V367 VanDerWaalsContact C-N 3.29Å; D365-V367 PolarHBondContact O-N 3.44Å; V367-S370 PolarHBondContact O-N 3.49Å; V367-S370 PolarHBondContact O-OG 3.23Å; V367-Y372 HydrophobicContact CG1-CD2 4.33Å; V367-Y372 HydrophobicContact CG1-CG 4.25Å; V367-Y372 PolarHBondContact O-N 2.99Å; V367-V374 HydrophobicContact CG1-CG2 3.8Å
368	R	98.4	Very high	94.5	Very high	100 Å²	100	54.6 Å²	54.6	38%	0.377	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-41.6	173.6	-76.2	169.7	175.3	155.9	-1.2	112.6	I364 D365 S370 G371 Y372 V374	I364-R368 HydrophobicContact CG2-CG 4.44Å; I364-R368 VanDerWaalsContact CG2-NH1 3.33Å; I364-R368 WeakPolarHBondContact O-CB 3.43Å; I364-R368 VanDerWaalsContact O-CG 3.27Å; I364-R368 WeakPolarHBondContact O-CG 3.4Å; I364-R368 PolarHBondContact O-N 2.83Å; D365-R368 WeakPolarHBondContact O-CB 3.41Å; D365-R368 PolarHBondContact O-N 3.18Å; D365-R368 IonicContact OD1-NH1 2.66Å; R368-S370 PolarHBondContact O-N 3.06Å; R368-G371 PolarHBondContact O-N 2.88Å; R368-Y372 WeakPolarHBondContact CA-O 3.48Å; R368-V374 HydrophobicContact CG-CB 4.06Å; R368-V374 HydrophobicContact CG-CG2 4.19Å; R368-V374 PolarHBondContact NE-O 3.02Å; R368-V374 PolarHBondContact NH2-O 3.22Å
369	E	97.9	Very high	93.4	Very high	140 Å²	140	55.2 Å²	55.2	65%	0.654	29%	0.29	S	S	*	.	H	α-helix	trans	-58.1	-31.4	176.9	-74.5	167.9	-166.3	0	0	112.2	D365 G371	D365-E369 VanDerWaalsContact O-CG 3.32Å; D365-E369 WeakPolarHBondContact O-CG 3.38Å; D365-E369 PolarHBondContact O-N 3.3Å; E369-G371 PolarHBondContact O-N 2.82Å
370	S	97.5	Very high	91.8	Very high	56 Å²	56	64.8 Å²	64.8	39%	0.392	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	0.9	174.3	77	0	0	0	0	115.1	L337 L366 V367 R368	L337-S370 WeakPolarHBondContact CD2-OG 3.41Å; L366-S370 PolarHBondContact O-N 2.9Å; V367-S370 PolarHBondContact O-N 3.49Å; V367-S370 PolarHBondContact O-OG 3.23Å; R368-S370 PolarHBondContact O-N 3.06Å
371	G	97.3	Very high	90	Very high	68 Å²	68	62.2 Å²	62.2	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	0.6	174.9	0	0	0	0	0	116.3	R368 E369	R368-G371 PolarHBondContact O-N 2.88Å; E369-G371 PolarHBondContact O-N 2.82Å
372	Y	98.1	Very high	87.6	Confident	51 Å²	51	65 Å²	65	20%	0.2	32%	0.324	C	S	.	.			trans	-80.6	131.8	176	-75.4	-91.1	0	0	0	111.9	I42 L337 L340 V367 R368 V374	I42-Y372 HydrophobicContact CG2-CD1 3.73Å; I42-Y372 HydrophobicContact CG2-CG 4.29Å; L337-Y372 HydrophobicContact CD2-CD2 3.58Å; L337-Y372 HydrophobicContact CD2-CE2 3.55Å; L340-Y372 HydrophobicContact CB-CE1 4.23Å; L340-Y372 WeakPolarHBondContact CB-OH 3.19Å; L340-Y372 HydrophobicContact CD1-CD1 4.34Å; L340-Y372 HydrophobicContact CD1-CE1 4.09Å; L340-Y372 HydrophobicContact CD1-CE2 4.3Å; V367-Y372 HydrophobicContact CG1-CD2 4.33Å; V367-Y372 HydrophobicContact CG1-CG 4.25Å; V367-Y372 PolarHBondContact O-N 2.99Å; R368-Y372 WeakPolarHBondContact CA-O 3.48Å; Y372-V374 PolarHBondContact O-N 2.67Å
373	D	98.2	Very high	84.8	Confident	37 Å²	37	68 Å²	68	20%	0.198	36%	0.355	C	S	.	.			trans	-80.7	103.3	172.7	176.8	14.2	0	0	0	110.2	R43 R375	R43-D373 HydrophobicContact CB-CB 3.97Å; R43-D373 WeakPolarHBondContact CB-O 2.87Å; R43-D373 WeakPolarHBondContact CD-OD2 3.45Å; R43-D373 IonicContact CZ-OD2 3.19Å; R43-D373 PolarHBondContact N-O 2.99Å; R43-D373 IonicContact NE-OD2 3.09Å; R43-D373 PolarHBondContact NE-OD2 3.17Å; R43-D373 VanDerWaalsContact NE-OD2 3.09Å; R43-D373 IonicContact NH1-OD2 3.61Å; R43-D373 IonicContact NH2-OD2 3.67Å; D373-R375 VanDerWaalsContact OD1-CG 3.22Å; D373-R375 WeakPolarHBondContact OD1-CG 3.21Å; D373-R375 IonicContact OD1-CZ 2.67Å; D373-R375 IonicContact OD1-NE 2.97Å; D373-R375 PolarHBondContact OD1-NE 2.76Å; D373-R375 IonicContact OD1-NH2 3.99Å; D373-R375 IonicContact OD2-CZ 3.77Å; D373-R375 VanDerWaalsContact OD2-CZ 3.3Å; D373-R375 IonicContact OD2-NE 2.9Å; D373-R375 PolarHBondContact OD2-NE 3.34Å; D373-R375 IonicContact OD2-NH2 3.73Å; D373-R375 PolarHBondContact OD2-NH2 3.32Å
374	V	98	Very high	81.8	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.006	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.7	178.5	-172.5	0	0	0	0	110	W40 R41 I42 F50 I364 V367 R368 Y372	W40-V374 HydrophobicContact CB-CG1 3.94Å; R41-V374 WeakPolarHBondContact O-CA 3.24Å; I42-V374 HydrophobicContact CG1-CG1 4.45Å; I42-V374 HydrophobicContact CG1-CG2 4.19Å; I42-V374 HydrophobicContact CG2-CG2 4.37Å; F50-V374 HydrophobicContact CD2-CG1 4.06Å; F50-V374 HydrophobicContact CE2-CG1 4.29Å; F50-V374 HydrophobicContact CE2-CG2 4.48Å; I364-V374 HydrophobicContact CG1-CG1 4.28Å; I364-V374 HydrophobicContact CG2-CB 4.23Å; I364-V374 HydrophobicContact CG2-CG1 3.99Å; V367-V374 HydrophobicContact CG1-CG2 3.8Å; R368-V374 HydrophobicContact CG-CB 4.06Å; R368-V374 HydrophobicContact CG-CG2 4.19Å; R368-V374 PolarHBondContact NE-O 3.02Å; R368-V374 PolarHBondContact NH2-O 3.22Å; Y372-V374 PolarHBondContact O-N 2.67Å
375	R	95	Very high	78.8	Confident	135 Å²	135	86.5 Å²	86.5	51%	0.509	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.7	-177.6	-56	-169.1	-170.5	-170.4	0.9	112.6	W40 R41 D373	W40-R375 CarbonylContact C-O 3.53Å; W40-R375 WeakPolarHBondContact CA-O 3.11Å; R41-R375 PolarHBondContact N-O 3.44Å; R41-R375 PolarHBondContact O-N 2.9Å; D373-R375 VanDerWaalsContact OD1-CG 3.22Å; D373-R375 WeakPolarHBondContact OD1-CG 3.21Å; D373-R375 IonicContact OD1-CZ 2.67Å; D373-R375 IonicContact OD1-NE 2.97Å; D373-R375 PolarHBondContact OD1-NE 2.76Å; D373-R375 IonicContact OD1-NH2 3.99Å; D373-R375 IonicContact OD2-CZ 3.77Å; D373-R375 VanDerWaalsContact OD2-CZ 3.3Å; D373-R375 IonicContact OD2-NE 2.9Å; D373-R375 PolarHBondContact OD2-NE 3.34Å; D373-R375 IonicContact OD2-NH2 3.73Å; D373-R375 PolarHBondContact OD2-NH2 3.32Å
376	P	92.2	Very high	75.9	Confident	55 Å²	55	91.5 Å²	91.5	36%	0.357	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	140.1	172.5	27.9	-34.4	0	0	0	110.7	I378	P376-I378 HydrophobicContact CB-CG1 4.36Å; P376-I378 HydrophobicContact CG-CD1 4.45Å; P376-I378 HydrophobicContact CG-CG1 4.35Å; P376-I378 PolarHBondContact O-N 3.05Å
377	V	90.2	Very high	72.8	Confident	29 Å²	29	92.8 Å²	92.8	18%	0.176	48%	0.476	C	S	.	.			trans	-88.5	95.7	172.6	-177.2	0	0	0	0	108.1	S37 L39 R41 V68	S37-V377 PolarHBondContact OG-O 3.43Å; L39-V377 HydrophobicContact CB-CB 4.2Å; L39-V377 HydrophobicContact CB-CG2 4.45Å; L39-V377 HydrophobicContact CD2-CB 3.89Å; L39-V377 HydrophobicContact CD2-CG1 4.08Å; L39-V377 HydrophobicContact CD2-CG2 3.82Å; L39-V377 HydrophobicContact CG-CB 4.21Å; L39-V377 HydrophobicContact CG-CG2 4Å; L39-V377 PolarHBondContact O-N 3.33Å; R41-V377 HydrophobicContact CB-CG2 3.87Å; V68-V377 HydrophobicContact CG1-CG1 3.83Å
378	I	77	Confident	69.7	Low	86 Å²	86	97.9 Å²	97.9	44%	0.441	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-86.1	122.6	-178.1	-55.8	170.8	0	0	0	108.9	P376	P376-I378 HydrophobicContact CB-CG1 4.36Å; P376-I378 HydrophobicContact CG-CD1 4.45Å; P376-I378 HydrophobicContact CG-CG1 4.35Å; P376-I378 PolarHBondContact O-N 3.05Å
379	T	65.8	Low	66.9	Low	35 Å²	35	102 Å²	102	22%	0.215	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-97.1	130.7	165.8	53.8	0	0	0	0	109.8	N66 V68	N66-T379 WeakPolarHBondContact ND2-CG2 3.48Å; N66-T379 PolarHBondContact ND2-OG1 3.18Å; V68-T379 HydrophobicContact CG2-CG2 4.13Å
380	R	54.7	Low	64.2	Low	221 Å²	221	102 Å²	102	83%	0.834	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-68.3	150.9	170.3	-74.8	-176.5	164.7	158.4	-4.2	109.5	D382	R380-D382 PolarHBondContact O-N 3.43Å
381	K	50.6	Low	60.9	Low	142 Å²	142	106.5 Å²	106.5	62%	0.617	55%	0.55	S	S	*	*	S	Bend	trans	-57.9	-29.5	-176.9	-78.1	-171	174.5	-174.1	0	112.7	G33 G383	G33-K381 WeakPolarHBondContact O-CE 3.11Å; K381-G383 PolarHBondContact O-N 3.31Å
382	D	42.6	Very low	57.7	Low	138 Å²	138	108.8 Å²	108.8	74%	0.738	55%	0.554	S	S	*	*	S	Bend	trans	-85.5	107.5	176.5	-47.5	-34.2	0	0	0	107.9	R380	R380-D382 PolarHBondContact O-N 3.43Å
383	G	37.8	Very low	54.6	Low	66 Å²	66	112.3 Å²	112.3	68%	0.68	58%	0.583	S	S	*	*	S	Bend	trans	-47.5	140.3	176.6	0	0	0	0	0	111.4	K381	K381-G383 PolarHBondContact O-N 3.31Å
384	L	33.7	Very low	51.5	Low	155 Å²	155	114 Å²	114	81%	0.812	61%	0.609	S	S	*	*			trans	55	72.3	173.8	-68.5	94.9	0	0	0	115.6
385	R	34.3	Very low	48.2	Very low	236 Å²	236	120 Å²	120	89%	0.891	65%	0.646	S	S	*	*				-110.3	104.6	118.2	-74.1	-169.2	-177.2	-163.2	2.2	106.8	A387	R385-A387 PolarHBondContact O-N 2.99Å
386	L	36.5	Very low	45.2	Very low	145 Å²	145	119 Å²	119	76%	0.759	66%	0.66	S	S	*	*			trans	-51.6	89.3	147.8	-92.2	148.7	0	0	0	104.7	S388	L386-S388 PolarHBondContact O-N 3.04Å; L386-S388 VanDerWaalsContact O-N 3.07Å
387	A	34.7	Very low	43.1	Very low	53 Å²	53	130.3 Å²	130.3	44%	0.438	70%	0.697	S	S	.	*			trans	-55.4	124.6	171.9	0	0	0	0	0	104.7	R385 F389	R385-A387 PolarHBondContact O-N 2.99Å; A387-F389 HydrophobicContact CB-CD2 3.59Å; A387-F389 HydrophobicContact CB-CE2 3.81Å; A387-F389 PolarHBondContact O-N 3.22Å
388	S	33.1	Very low	40.8	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	72%	0.723	S	S	*	*	S	Bend	trans	-59.5	42.6	-177.9	39.6	0	0	0	0	113.7	L386 F390	L386-S388 PolarHBondContact O-N 3.04Å; L386-S388 VanDerWaalsContact O-N 3.07Å; S388-F390 PolarHBondContact O-N 2.68Å
389	F	39.5	Very low	38.9	Very low	185 Å²	185	138 Å²	138	81%	0.811	74%	0.738	S	S	*	*			trans	-82.2	6.1	170.9	-72.9	-73.5	0	0	0	112.8	A387	A387-F389 HydrophobicContact CB-CD2 3.59Å; A387-F389 HydrophobicContact CB-CE2 3.81Å; A387-F389 PolarHBondContact O-N 3.22Å
390	F	41.2	Very low	37.4	Very low	142 Å²	142	143.7 Å²	143.7	62%	0.623	77%	0.767	S	S	*	*			trans	-104.4	65.1	166.8	-65.4	-76.7	0	0	0	109.8	S388 C392	S388-F390 PolarHBondContact O-N 2.68Å; F390-C392 VanDerWaalsContact C-N 3.27Å; F390-C392 PolarHBondContact O-N 3.41Å
391	N	28.5	Very low	36.4	Very low	149 Å²	149	139.2 Å²	139.2	80%	0.797	76%	0.763	S	S	*	*			trans	-69.4	95.8	153.1	-87.2	-8.3	0	0	0	106.7	P393	N391-P393 WeakPolarHBondContact O-CD 3.18Å
392	C	30.1	Very low	35.5	Very low	116 Å²	116	139 Å²	139	78%	0.784	77%	0.772	S	S	*	*			trans	-86.2	109.5	154.6	-74.8	0	0	0	0	106.7	F390	F390-C392 VanDerWaalsContact C-N 3.27Å; F390-C392 PolarHBondContact O-N 3.41Å
393	P	33.2	Very low	35	Very low	125 Å²	125	139.1 Å²	139.1	81%	0.812	78%	0.775	S	S	*	*			trans	-76.7	139.2	170.7	31.9	-31.1	0	0	0	109.6	N391	N391-P393 WeakPolarHBondContact O-CD 3.18Å
394	G	31.9	Very low	34.8	Very low	72 Å²	72	144.3 Å²	144.3	74%	0.742	78%	0.781	S	S	*	*			trans	94	78	158.9	0	0	0	0	0	115.9
395	V	30.3	Very low	34.9	Very low	129 Å²	129	143.5 Å²	143.5	78%	0.782	78%	0.779	S	S	*	*			trans	-127.1	91.9	143.7	-176.1	0	0	0	0	106
396	S	31.3	Very low	34.9	Very low	114 Å²	114	135.8 Å²	135.8	80%	0.797	77%	0.77	S	S	*	*			trans	-79.5	123.8	160.7	46.4	0	0	0	0	107.4
397	Y	49.2	Very low	34.8	Very low	292 Å²	292	134.9 Å²	134.9	100%	1.145	77%	0.771	S	S	*	*			trans	-73.3	0	156.5	-81	-80	0	0	0	109.8

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