A0A077Z4T4_TRITR Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A077Z4T4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 575 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.1	Very low	43.8	Very low	233 Å²	233	166.5 Å²	166.5	100%	1.148	79%	0.789	S	S	*	*				0	111.7	0	-77.2	-61.4	172.6	0	0	109.2
2	P	39.8	Very low	44.5	Very low	125 Å²	125	161.4 Å²	161.4	81%	0.812	77%	0.77	S	S	*	*			trans	-72.6	144.7	-175.3	29.4	-34.5	0	0	0	112.7	R4	P2-R4 PolarHBondContact O-N 3.43Å
3	Y	34.6	Very low	44.9	Very low	215 Å²	215	163.2 Å²	163.2	84%	0.843	77%	0.772	S	S	*	*			trans	-76.3	89.6	179.7	-180	-99.6	0	0	0	110.6	T5	Y3-T5 HydrophobicContact CD1-CG2 3.98Å; Y3-T5 HydrophobicContact CE1-CG2 3.77Å; Y3-T5 PolarHBondContact O-N 3.21Å
4	R	40.9	Very low	45.4	Very low	195 Å²	195	154.1 Å²	154.1	74%	0.736	74%	0.744	S	S	*	*			trans	-75.2	106.4	-177.5	-150.8	172.2	-175.7	149	7.6	110.7	P2 E6	P2-R4 PolarHBondContact O-N 3.43Å; R4-E6 HydrophobicContact CG-CB 4.41Å; R4-E6 HydrophobicContact CG-CG 4.22Å; R4-E6 IonicContact CZ-OE2 2.69Å; R4-E6 IonicContact NE-OE1 2.76Å; R4-E6 IonicContact NE-OE2 3.41Å; R4-E6 PolarHBondContact NE-OE2 2.78Å; R4-E6 IonicContact NH2-OE1 3.99Å; R4-E6 IonicContact NH2-OE2 3.77Å; R4-E6 PolarHBondContact NH2-OE2 3.47Å; R4-E6 PolarHBondContact O-N 3.04Å; R4-E6 VanDerWaalsContact O-N 3.11Å
5	T	49.5	Very low	46.6	Very low	111 Å²	111	150.5 Å²	150.5	68%	0.681	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	0.7	-175.8	26.5	0	0	0	0	115.3	Y3 L7	Y3-T5 HydrophobicContact CD1-CG2 3.98Å; Y3-T5 HydrophobicContact CE1-CG2 3.77Å; Y3-T5 PolarHBondContact O-N 3.21Å; T5-L7 PolarHBondContact O-N 2.73Å
6	E	37.7	Very low	47.9	Very low	133 Å²	133	145.8 Å²	145.8	62%	0.621	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	3	-164	-64.9	169.5	-179.2	0	0	115.1	R4 R8	R4-E6 HydrophobicContact CG-CB 4.41Å; R4-E6 HydrophobicContact CG-CG 4.22Å; R4-E6 IonicContact CZ-OE2 2.69Å; R4-E6 IonicContact NE-OE1 2.76Å; R4-E6 IonicContact NE-OE2 3.41Å; R4-E6 PolarHBondContact NE-OE2 2.78Å; R4-E6 IonicContact NH2-OE1 3.99Å; R4-E6 IonicContact NH2-OE2 3.77Å; R4-E6 PolarHBondContact NH2-OE2 3.47Å; R4-E6 PolarHBondContact O-N 3.04Å; R4-E6 VanDerWaalsContact O-N 3.11Å; E6-R8 PolarHBondContact O-N 3.21Å
7	L	45.5	Very low	49.4	Very low	144 Å²	144	146.5 Å²	146.5	75%	0.754	70%	0.703	S	S	*	*			trans	-94.8	33.5	178.6	-70.6	177.9	0	0	0	114.6	T5 R9	T5-L7 PolarHBondContact O-N 2.73Å; L7-R9 VanDerWaalsContact C-N 3.27Å; L7-R9 PolarHBondContact O-N 2.62Å; L7-R9 VanDerWaalsContact O-N 3.08Å
8	R	41	Very low	50.8	Low	239 Å²	239	138.5 Å²	138.5	90%	0.902	67%	0.665	S	S	*	*			trans	-75.6	78.4	157.7	-91.3	-173.5	166.6	178	-3.3	110	E6	E6-R8 PolarHBondContact O-N 3.21Å
9	R	46.5	Very low	51.9	Low	179 Å²	179	135.2 Å²	135.2	68%	0.675	66%	0.658	S	S	*	*			trans	-84.8	117	158.8	-73	-174.6	179.5	146.8	2	108.6	L7 D11	L7-R9 VanDerWaalsContact C-N 3.27Å; L7-R9 PolarHBondContact O-N 2.62Å; L7-R9 VanDerWaalsContact O-N 3.08Å; R9-D11 PolarHBondContact O-N 2.75Å
10	P	54.8	Low	52.7	Low	119 Å²	119	131.7 Å²	131.7	77%	0.773	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-29.6	-179	-24.3	35.3	0	0	0	113.7	L12	P10-L12 PolarHBondContact O-N 3.36Å
11	D	52.6	Low	53.8	Low	138 Å²	138	127.5 Å²	127.5	74%	0.738	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-13	-162	-36.4	-79.1	0	0	0	113.4	R9 K13	R9-D11 PolarHBondContact O-N 2.75Å; D11-K13 VanDerWaalsContact C-N 3.34Å; D11-K13 PolarHBondContact O-N 3.18Å
12	L	52.2	Low	55.4	Low	106 Å²	106	121.6 Å²	121.6	56%	0.555	60%	0.599	S	S	*	*	S	Bend	trans	-85.6	78.3	176.1	-126.5	74	0	0	0	110.5	P10 G14	P10-L12 PolarHBondContact O-N 3.36Å; L12-G14 PolarHBondContact O-N 3.45Å
13	K	49.2	Very low	57	Low	184 Å²	184	121.5 Å²	121.5	80%	0.8	59%	0.585	S	S	*	*			trans	-42.3	107	175.3	-171.7	171.9	-175.2	172.1	0	110.9	D11 T15	D11-K13 VanDerWaalsContact C-N 3.34Å; D11-K13 PolarHBondContact O-N 3.18Å; K13-T15 PolarHBondContact O-N 3.48Å
14	G	52.5	Low	59	Low	37 Å²	37	115.8 Å²	115.8	38%	0.381	57%	0.568	S	S	.	*			trans	-69.5	90.3	-172.6	0	0	0	0	0	112.8	L12 I24	L12-G14 PolarHBondContact O-N 3.45Å; G14-I24 WeakPolarHBondContact O-CG2 3.31Å
15	T	63.8	Low	60.8	Low	99 Å²	99	108.5 Å²	108.5	61%	0.607	54%	0.542	S	S	*	.			trans	-83.8	-17.6	-173.9	46.3	0	0	0	0	114.4	K13 R17	K13-T15 PolarHBondContact O-N 3.48Å; T15-R17 PolarHBondContact O-N 3.1Å
16	F	66.5	Low	62	Low	76 Å²	76	106.7 Å²	106.7	33%	0.333	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	83.8	-175.2	-57.1	-70.9	0	0	0	111.5	F25 H27 L31	F16-F25 HydrophobicContact CB-CB 4.33Å; F16-F25 WeakPolarHBondContact CB-O 3.24Å; F16-F25 PolarHBondContact N-O 3.01Å; F16-F25 PolarHBondContact O-N 2.75Å; F16-H27 VanDerWaalsContact CD2-C 3.46Å; F16-L31 HydrophobicContact CB-CB 4Å; F16-L31 HydrophobicContact CB-CD1 3.82Å
17	R	73.8	Confident	63.8	Low	158 Å²	158	105 Å²	105	60%	0.596	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.8	171.6	-179	-178.2	-71.9	164.7	-2	111.1	T15 S19 I24 L31	T15-R17 PolarHBondContact O-N 3.1Å; R17-S19 PolarHBondContact O-N 3.49Å; R17-I24 HydrophobicContact CB-CG1 4.36Å; R17-I24 HydrophobicContact CG-CG1 4.42Å; R17-L31 WeakPolarHBondContact O-CD1 3.29Å
18	C	75	Confident	65.2	Low	2 Å²	2	101.5 Å²	101.5	1%	0.014	51%	0.512	C	S	.	.			trans	-74	119.9	171.4	-176.1	0	0	0	0	110.6	L20 C21 N22 K23 F25 L31 H34	C18-L20 PolarHBondContact O-N 2.88Å; C18-L20 VanDerWaalsContact O-N 3.16Å; C18-C21 PolarHBondContact O-N 3.01Å; C18-N22 WeakPolarHBondContact O-CA 3.21Å; C18-N22 PolarHBondContact O-N 2.89Å; C18-K23 PolarHBondContact N-O 3.45Å; C18-F25 HydrophobicContact CB-CE2 4.29Å; C18-L31 HydrophobicContact CB-CD1 4.41Å; C18-H34 WeakPolarHBondContact CB-NE2 3.44Å; C18-H34 PolarHBondContact SG-NE2 3.37Å
19	S	71.5	Confident	66.9	Low	75 Å²	75	93.9 Å²	93.9	52%	0.524	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-10	-178.6	52.7	0	0	0	0	115	R17	R17-S19 PolarHBondContact O-N 3.49Å
20	L	68.5	Low	68.5	Low	65 Å²	65	86.9 Å²	86.9	34%	0.34	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-12.9	-176.9	-61	177.5	0	0	0	114.4	C18 R35 H39	C18-L20 PolarHBondContact O-N 2.88Å; C18-L20 VanDerWaalsContact O-N 3.16Å; L20-R35 HydrophobicContact CD1-CG 4.42Å; L20-H39 VanDerWaalsContact CB-CE1 3.47Å; L20-H39 WeakPolarHBondContact CB-CE1 3.3Å; L20-H39 WeakPolarHBondContact CB-NE2 3.36Å; L20-H39 HydrophobicContact CD1-CB 3.68Å; L20-H39 PolarHBondContact O-CE1 2.95Å
21	C	74.6	Confident	69.6	Low	44 Å²	44	82.8 Å²	82.8	30%	0.297	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152	15.3	171	68.5	0	0	0	0	115	C18 K23 H34 H39	C18-C21 PolarHBondContact O-N 3.01Å; C21-K23 PolarHBondContact O-N 3.28Å; C21-H34 PolarHBondContact SG-CE1 2.7Å; C21-H34 PolarHBondContact SG-NE2 3.18Å; C21-H39 PolarHBondContact SG-NE2 3.04Å
22	N	72.2	Confident	70.5	Confident	110 Å²	110	78 Å²	78	59%	0.588	42%	0.424	S	S	*	.			trans	58.1	3.8	177.3	-64.7	-51.3	0	0	0	117.5	C18	C18-N22 WeakPolarHBondContact O-CA 3.21Å; C18-N22 PolarHBondContact O-N 2.89Å
23	K	75.1	Confident	71.6	Confident	123 Å²	123	79.8 Å²	79.8	54%	0.535	42%	0.423	S	S	.	.			trans	-60.9	136.8	173.7	-64.9	179.4	-160.8	-64.1	0	110.6	C18 C21 F25	C18-K23 PolarHBondContact N-O 3.45Å; C21-K23 PolarHBondContact O-N 3.28Å; K23-F25 HydrophobicContact CB-CE2 3.66Å; K23-F25 HydrophobicContact CB-CZ 3.79Å; K23-F25 WeakPolarHBondContact O-CE2 3.47Å
24	I	76.4	Confident	72.9	Confident	94 Å²	94	72 Å²	72	48%	0.482	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.4	-175.7	-58.3	176.3	0	0	0	109.5	G14 R17	G14-I24 WeakPolarHBondContact O-CG2 3.31Å; R17-I24 HydrophobicContact CB-CG1 4.36Å; R17-I24 HydrophobicContact CG-CG1 4.42Å
25	F	78.1	Confident	73.9	Confident	43 Å²	43	74 Å²	74	19%	0.189	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.7	-178.7	-60.1	-85.5	0	0	0	111.2	F16 C18 K23 H27 L31 H34	F16-F25 HydrophobicContact CB-CB 4.33Å; F16-F25 WeakPolarHBondContact CB-O 3.24Å; F16-F25 PolarHBondContact N-O 3.01Å; F16-F25 PolarHBondContact O-N 2.75Å; C18-F25 HydrophobicContact CB-CE2 4.29Å; K23-F25 HydrophobicContact CB-CE2 3.66Å; K23-F25 HydrophobicContact CB-CZ 3.79Å; K23-F25 WeakPolarHBondContact O-CE2 3.47Å; F25-H27 VanDerWaalsContact C-N 3.31Å; F25-L31 HydrophobicContact CB-CB 4.25Å; F25-L31 HydrophobicContact CD2-CB 3.98Å; F25-L31 HydrophobicContact CD2-CG 4.45Å; F25-L31 HydrophobicContact CG-CB 4.29Å; F25-H34 HydrophobicContact CE1-CB 3.81Å; F25-H34 HydrophobicContact CE2-CB 3.9Å; F25-H34 AromaticContact CE2-CD2 3.2Å; F25-H34 WeakPolarHBondContact CE2-CD2 3.23Å; F25-H34 AromaticContact CE2-CG 3.54Å; F25-H34 AromaticContact CE2-NE2 3.93Å; F25-H34 HydrophobicContact CZ-CB 3.43Å; F25-H34 VanDerWaalsContact CZ-CB 3.43Å; F25-H34 AromaticContact CZ-CD2 3.4Å; F25-H34 WeakPolarHBondContact CZ-CD2 3.36Å; F25-H34 AromaticContact CZ-CG 3.19Å; F25-H34 AromaticContact CZ-ND1 3.81Å
26	C	74	Confident	74	Confident	73 Å²	73	72.8 Å²	72.8	49%	0.493	37%	0.374	S	S	.	.	S	Bend	trans	-76.4	-14.3	176.5	47.5	0	0	0	0	113.9
27	H	75.4	Confident	74.1	Confident	97 Å²	97	75.4 Å²	75.4	45%	0.449	39%	0.387	S	S	.	.	S	Bend	trans	-140.2	144.7	-178.3	-58	94.2	0	0	0	111.2	F16 F25 S29 S30 L31	F16-H27 VanDerWaalsContact CD2-C 3.46Å; F25-H27 VanDerWaalsContact C-N 3.31Å; H27-S29 VanDerWaalsContact C-N 3.3Å; H27-S29 PolarHBondContact O-N 2.88Å; H27-S30 WeakPolarHBondContact O-CB 3.32Å; H27-S30 PolarHBondContact O-N 2.83Å; H27-S30 VanDerWaalsContact O-N 3.15Å; H27-L31 PolarHBondContact O-N 3.3Å; H27-L31 VanDerWaalsContact O-N 3.1Å
28	S	76.6	Confident	73.8	Confident	70 Å²	70	70.2 Å²	70.2	49%	0.49	38%	0.378	S	S	.	.	H	α-helix	trans	-62.2	-36.1	176.6	54.8	0	0	0	0	112.7	L31 S32	S28-L31 PolarHBondContact O-N 2.79Å; S28-S32 WeakPolarHBondContact O-CB 3.39Å; S28-S32 PolarHBondContact O-N 3.25Å
29	S	76	Confident	73.5	Confident	80 Å²	80	70.8 Å²	70.8	56%	0.559	38%	0.38	S	S	*	.	H	α-helix	trans	-60	-42.4	172.2	52	0	0	0	0	112.2	H27 S32 R33	H27-S29 VanDerWaalsContact C-N 3.3Å; H27-S29 PolarHBondContact O-N 2.88Å; S29-S32 PolarHBondContact O-N 3.44Å; S29-R33 WeakPolarHBondContact O-CB 3.46Å; S29-R33 PolarHBondContact O-N 3.3Å
30	S	79.4	Confident	73.1	Confident	31 Å²	31	68.3 Å²	68.3	22%	0.217	36%	0.36	C	S	.	.	H	α-helix	trans	-66.3	-39.9	175.4	-65.4	0	0	0	0	112.3	H27 H34	H27-S30 WeakPolarHBondContact O-CB 3.32Å; H27-S30 PolarHBondContact O-N 2.83Å; H27-S30 VanDerWaalsContact O-N 3.15Å; S30-H34 VanDerWaalsContact O-CB 3.23Å; S30-H34 WeakPolarHBondContact O-CB 3.33Å; S30-H34 PolarHBondContact O-N 3.07Å
31	L	79.1	Confident	73	Confident	33 Å²	33	73.1 Å²	73.1	17%	0.173	38%	0.378	C	S	.	.	H	α-helix	trans	-64.1	-43.9	172.5	176.3	148.8	0	0	0	111.8	F16 R17 C18 F25 H27 S28 H34 R35	F16-L31 HydrophobicContact CB-CB 4Å; F16-L31 HydrophobicContact CB-CD1 3.82Å; R17-L31 WeakPolarHBondContact O-CD1 3.29Å; C18-L31 HydrophobicContact CB-CD1 4.41Å; F25-L31 HydrophobicContact CB-CB 4.25Å; F25-L31 HydrophobicContact CD2-CB 3.98Å; F25-L31 HydrophobicContact CD2-CG 4.45Å; F25-L31 HydrophobicContact CG-CB 4.29Å; H27-L31 PolarHBondContact O-N 3.3Å; H27-L31 VanDerWaalsContact O-N 3.1Å; S28-L31 PolarHBondContact O-N 2.79Å; L31-H34 PolarHBondContact O-N 3.38Å; L31-R35 WeakPolarHBondContact O-CB 3.21Å; L31-R35 PolarHBondContact O-N 3.16Å
32	S	71.7	Confident	73	Confident	39 Å²	39	72 Å²	72	27%	0.273	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-48.8	179	176.6	0	0	0	0	111	S28 S29 H34 R35 M36 R75	S28-S32 WeakPolarHBondContact O-CB 3.39Å; S28-S32 PolarHBondContact O-N 3.25Å; S29-S32 PolarHBondContact O-N 3.44Å; S32-H34 PolarHBondContact O-N 3.43Å; S32-R35 PolarHBondContact O-N 2.91Å; S32-M36 WeakPolarHBondContact O-CB 3.11Å; S32-M36 PolarHBondContact O-N 3.3Å; S32-R75 PolarHBondContact OG-O 2.98Å
33	R	73.9	Confident	73.2	Confident	142 Å²	142	67.2 Å²	67.2	54%	0.536	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-43.5	174.7	-178.8	172.3	65.7	84.6	-10.5	112.3	S29 M36 Q37	S29-R33 WeakPolarHBondContact O-CB 3.46Å; S29-R33 PolarHBondContact O-N 3.3Å; R33-M36 WeakPolarHBondContact O-CB 3.31Å; R33-M36 PolarHBondContact O-N 2.82Å; R33-Q37 HydrophobicContact CG-CG 4.4Å; R33-Q37 WeakPolarHBondContact O-CG 3.26Å; R33-Q37 PolarHBondContact O-N 2.89Å
34	H	78	Confident	73.4	Confident	21 Å²	21	62.9 Å²	62.9	10%	0.097	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-45.7	174.9	156.8	61.6	0	0	0	111.7	C18 C21 F25 S30 L31 S32 M36 Q37 A38 H39	C18-H34 WeakPolarHBondContact CB-NE2 3.44Å; C18-H34 PolarHBondContact SG-NE2 3.37Å; C21-H34 PolarHBondContact SG-CE1 2.7Å; C21-H34 PolarHBondContact SG-NE2 3.18Å; F25-H34 HydrophobicContact CE1-CB 3.81Å; F25-H34 HydrophobicContact CE2-CB 3.9Å; F25-H34 AromaticContact CE2-CD2 3.2Å; F25-H34 WeakPolarHBondContact CE2-CD2 3.23Å; F25-H34 AromaticContact CE2-CG 3.54Å; F25-H34 AromaticContact CE2-NE2 3.93Å; F25-H34 HydrophobicContact CZ-CB 3.43Å; F25-H34 VanDerWaalsContact CZ-CB 3.43Å; F25-H34 AromaticContact CZ-CD2 3.4Å; F25-H34 WeakPolarHBondContact CZ-CD2 3.36Å; F25-H34 AromaticContact CZ-CG 3.19Å; F25-H34 AromaticContact CZ-ND1 3.81Å; S30-H34 VanDerWaalsContact O-CB 3.23Å; S30-H34 WeakPolarHBondContact O-CB 3.33Å; S30-H34 PolarHBondContact O-N 3.07Å; L31-H34 PolarHBondContact O-N 3.38Å; S32-H34 PolarHBondContact O-N 3.43Å; H34-M36 VanDerWaalsContact C-N 3.3Å; H34-M36 PolarHBondContact O-N 3.27Å; H34-Q37 PolarHBondContact O-N 3.03Å; H34-A38 VanDerWaalsContact CE1-CB 3.42Å; H34-A38 WeakPolarHBondContact CE1-CB 3.47Å; H34-A38 VanDerWaalsContact O-CB 3.23Å; H34-A38 WeakPolarHBondContact O-CB 3.46Å; H34-A38 PolarHBondContact O-N 3.38Å; H34-H39 AromaticContact CE1-NE2 3.82Å; H34-H39 AromaticContact NE2-CD2 3.97Å; H34-H39 AromaticContact NE2-NE2 3.71Å
35	R	73	Confident	73.8	Confident	78 Å²	78	58.4 Å²	58.4	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-40	179.2	-163.6	-178.9	-173.7	153.9	4.2	111.2	L20 L31 S32 H39 F40	L20-R35 HydrophobicContact CD1-CG 4.42Å; L31-R35 WeakPolarHBondContact O-CB 3.21Å; L31-R35 PolarHBondContact O-N 3.16Å; S32-R35 PolarHBondContact O-N 2.91Å; R35-H39 WeakPolarHBondContact O-CB 3.33Å; R35-H39 PolarHBondContact O-N 2.99Å; R35-F40 HydrophobicContact CG-CD2 4.47Å; R35-F40 HydrophobicContact CG-CE2 3.94Å; R35-F40 WeakPolarHBondContact O-CD2 3.47Å
36	M	65.8	Low	73.9	Confident	75 Å²	75	58.5 Å²	58.5	37%	0.369	31%	0.31	S	S	.	.	H	α-helix	trans	-59	-49.6	172.2	-172.2	179.5	81.2	0	0	112.1	S32 R33 H34	S32-M36 WeakPolarHBondContact O-CB 3.11Å; S32-M36 PolarHBondContact O-N 3.3Å; R33-M36 WeakPolarHBondContact O-CB 3.31Å; R33-M36 PolarHBondContact O-N 2.82Å; H34-M36 VanDerWaalsContact C-N 3.3Å; H34-M36 PolarHBondContact O-N 3.27Å
37	Q	67.7	Low	74.2	Confident	130 Å²	130	59.2 Å²	59.2	61%	0.607	31%	0.308	S	S	*	.	H	α-helix	trans	-80.4	-27.9	-174.2	-66.7	-176.5	-63.6	0	0	114.6	R33 H34	R33-Q37 HydrophobicContact CG-CG 4.4Å; R33-Q37 WeakPolarHBondContact O-CG 3.26Å; R33-Q37 PolarHBondContact O-N 2.89Å; H34-Q37 PolarHBondContact O-N 3.03Å
38	A	68.2	Low	74.6	Confident	49 Å²	49	56.9 Å²	56.9	41%	0.405	30%	0.302	S	S	.	.	H	α-helix	trans	-106.4	-13.8	-171.1	0	0	0	0	0	115.2	H34	H34-A38 VanDerWaalsContact CE1-CB 3.42Å; H34-A38 WeakPolarHBondContact CE1-CB 3.47Å; H34-A38 VanDerWaalsContact O-CB 3.23Å; H34-A38 WeakPolarHBondContact O-CB 3.46Å; H34-A38 PolarHBondContact O-N 3.38Å
39	H	67.8	Low	74.6	Confident	14 Å²	14	60 Å²	60	7%	0.065	31%	0.314	C	S	.	.	H	α-helix	trans	-133.1	-6.7	-172.8	-64	-62.5	0	0	0	115.2	L20 C21 H34 R35 P110 S111	L20-H39 VanDerWaalsContact CB-CE1 3.47Å; L20-H39 WeakPolarHBondContact CB-CE1 3.3Å; L20-H39 WeakPolarHBondContact CB-NE2 3.36Å; L20-H39 HydrophobicContact CD1-CB 3.68Å; L20-H39 PolarHBondContact O-CE1 2.95Å; C21-H39 PolarHBondContact SG-NE2 3.04Å; H34-H39 AromaticContact CE1-NE2 3.82Å; H34-H39 AromaticContact NE2-CD2 3.97Å; H34-H39 AromaticContact NE2-NE2 3.71Å; R35-H39 WeakPolarHBondContact O-CB 3.33Å; R35-H39 PolarHBondContact O-N 2.99Å; H39-P110 WeakPolarHBondContact O-CA 3.22Å; H39-S111 PolarHBondContact O-N 2.96Å; H39-S111 PolarHBondContact O-OG 3.26Å
40	F	64.8	Low	74.8	Confident	23 Å²	23	62 Å²	62	10%	0.101	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	91.9	176.6	-65.7	-66.3	0	0	0	109.5	R35 N78 S108 P110	R35-F40 HydrophobicContact CG-CD2 4.47Å; R35-F40 HydrophobicContact CG-CE2 3.94Å; R35-F40 WeakPolarHBondContact O-CD2 3.47Å; F40-N78 VanDerWaalsContact CD2-ND2 3.3Å; F40-N78 WeakPolarHBondContact CD2-ND2 3.22Å; F40-S108 VanDerWaalsContact CD1-OG 3.27Å; F40-S108 WeakPolarHBondContact CD1-OG 3.19Å; F40-S108 VanDerWaalsContact CE1-OG 3.25Å; F40-S108 WeakPolarHBondContact CE1-OG 3.5Å; F40-P110 HydrophobicContact CE1-CB 4.22Å; F40-P110 HydrophobicContact CE1-CG 4.05Å
41	K	66.4	Low	74.9	Confident	167 Å²	167	67 Å²	67	73%	0.726	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	-11.3	-177.8	-165	175.8	178	-175	0	113.5	T53	K41-T53 WeakPolarHBondContact O-CA 3.48Å
42	S	73.2	Confident	74.9	Confident	21 Å²	21	66.2 Å²	66.2	15%	0.147	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.7	175.3	60	0	0	0	0	113.4	I52 S108 C109	S42-I52 CarbonylContact C-O 3.54Å; S42-I52 WeakPolarHBondContact CA-O 3.44Å; S42-S108 WeakPolarHBondContact O-CA 3.42Å; S42-C109 PolarHBondContact O-N 2.93Å
43	Y	77	Confident	75.2	Confident	8 Å²	8	69.5 Å²	69.5	3%	0.031	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.3	172.6	-58.4	-97.5	0	0	0	108.1	E51 I52 N55 L58 N78 K107	Y43-E51 CarbonylContact O-C 3.6Å; Y43-I52 PolarHBondContact N-O 3.25Å; Y43-I52 PolarHBondContact O-N 3.41Å; Y43-N55 HydrophobicContact CE2-CB 4.42Å; Y43-N55 PolarHBondContact OH-ND2 3.03Å; Y43-N55 VanDerWaalsContact OH-ND2 3.15Å; Y43-L58 HydrophobicContact CD1-CD2 3.73Å; Y43-L58 HydrophobicContact CE1-CD2 4.34Å; Y43-L58 HydrophobicContact CG-CD2 3.83Å; Y43-N78 HydrophobicContact CE1-CB 4.15Å; Y43-K107 CarbonylContact C-O 3.58Å; Y43-K107 WeakPolarHBondContact CA-O 3.36Å
44	T	80.2	Confident	75.3	Confident	32 Å²	32	65.1 Å²	65.1	20%	0.196	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.2	172	43.8	0	0	0	0	109.4	T46 E51 A106 K107	T44-T46 PolarHBondContact O-N 3.45Å; T44-E51 HydrophobicContact CG2-CG 4.05Å; T44-A106 CarbonylContact O-C 3.56Å; T44-A106 WeakPolarHBondContact O-CA 3.47Å; T44-K107 PolarHBondContact N-O 3.19Å; T44-K107 PolarHBondContact O-N 2.94Å; T44-K107 PolarHBondContact OG1-O 3.18Å; T44-K107 VanDerWaalsContact OG1-O 3.06Å
45	C	83.5	Confident	75.3	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	122.5	169.6	173.8	0	0	0	0	109.3	L47 N49 K50 I52 H61 M62	C45-L47 VanDerWaalsContact C-N 3.28Å; C45-L47 PolarHBondContact O-N 3.36Å; C45-L47 PolarHBondContact SG-N 3.12Å; C45-L47 VanDerWaalsContact SG-N 3.43Å; C45-N49 WeakPolarHBondContact O-CA 3.32Å; C45-N49 PolarHBondContact O-N 3.41Å; C45-K50 PolarHBondContact N-O 3.4Å; C45-I52 HydrophobicContact CB-CD1 4.2Å; C45-H61 PolarHBondContact SG-NE2 2.92Å; C45-M62 HydrophobicContact CB-CE 3.56Å; C45-M62 WeakPolarHBondContact SG-CE 3.41Å
46	T	80.8	Confident	75.6	Confident	45 Å²	45	66.7 Å²	66.7	28%	0.276	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.7	179.3	58.8	0	0	0	0	113.1	T44 I104 I105 K107	T44-T46 PolarHBondContact O-N 3.45Å; T46-I104 WeakPolarHBondContact CB-O 3.39Å; T46-I104 HydrophobicContact CG2-CG2 4.33Å; T46-I104 WeakPolarHBondContact CG2-O 3.42Å; T46-I104 PolarHBondContact OG1-O 3.26Å; T46-I105 PolarHBondContact N-O 2.99Å; T46-I105 VanDerWaalsContact OG1-CA 3.28Å; T46-I105 WeakPolarHBondContact OG1-CA 3.26Å; T46-I105 PolarHBondContact OG1-O 3.12Å; T46-K107 HydrophobicContact CG2-CD 4.14Å; T46-K107 HydrophobicContact CG2-CG 4.11Å
47	L	80.2	Confident	76.4	Confident	89 Å²	89	66.4 Å²	66.4	47%	0.466	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-19.3	-177.5	-56.8	177.6	0	0	0	113.4	C45 H66 I68 I105	C45-L47 VanDerWaalsContact C-N 3.28Å; C45-L47 PolarHBondContact O-N 3.36Å; C45-L47 PolarHBondContact SG-N 3.12Å; C45-L47 VanDerWaalsContact SG-N 3.43Å; L47-H66 WeakPolarHBondContact CB-CE1 3.45Å; L47-H66 HydrophobicContact CD1-CB 3.97Å; L47-I68 HydrophobicContact CD1-CD1 3.8Å; L47-I105 HydrophobicContact CD1-CG2 4.06Å; L47-I105 HydrophobicContact CG-CG2 4.49Å
48	C	82.5	Confident	77.3	Confident	47 Å²	47	60.2 Å²	60.2	32%	0.318	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	9.1	176.3	68.9	0	0	0	0	115.1	K50 H61 H66	C48-K50 PolarHBondContact O-N 3.32Å; C48-H61 PolarHBondContact SG-CE1 3.16Å; C48-H61 PolarHBondContact SG-NE2 3.33Å; C48-H66 PolarHBondContact SG-NE2 2.89Å
49	N	78.2	Confident	78	Confident	136 Å²	136	64.4 Å²	64.4	73%	0.727	33%	0.328	S	S	*	.			trans	54.3	20.4	179.2	-59.9	-39.5	0	0	0	115.7	C45	C45-N49 WeakPolarHBondContact O-CA 3.32Å; C45-N49 PolarHBondContact O-N 3.41Å
50	K	79.9	Confident	78.7	Confident	121 Å²	121	66 Å²	66	53%	0.526	34%	0.343	S	S	.	.			trans	-77.7	131.2	174.4	-72.5	-174.9	177.2	-64.8	0	111.3	C45 C48	C45-K50 PolarHBondContact N-O 3.4Å; C48-K50 PolarHBondContact O-N 3.32Å
51	E	80.9	Confident	79.8	Confident	137 Å²	137	66 Å²	66	64%	0.64	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	135.1	167.5	-48.2	-142.3	144.6	0	0	110.5	Y43 T44	Y43-E51 CarbonylContact O-C 3.6Å; T44-E51 HydrophobicContact CG2-CG 4.05Å
52	I	80.2	Confident	80.6	Confident	16 Å²	16	58.1 Å²	58.1	8%	0.082	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126	-172.2	-59.8	158.5	0	0	0	108.6	S42 Y43 C45 T57 L58 H61	S42-I52 CarbonylContact C-O 3.54Å; S42-I52 WeakPolarHBondContact CA-O 3.44Å; Y43-I52 PolarHBondContact N-O 3.25Å; Y43-I52 PolarHBondContact O-N 3.41Å; C45-I52 HydrophobicContact CB-CD1 4.2Å; I52-T57 VanDerWaalsContact CG2-OG1 3.32Å; I52-T57 WeakPolarHBondContact CG2-OG1 3.32Å; I52-L58 HydrophobicContact CB-CD1 4.47Å; I52-L58 HydrophobicContact CD1-CD1 3.61Å; I52-L58 HydrophobicContact CG2-CB 4.16Å; I52-H61 HydrophobicContact CD1-CB 3.8Å; I52-H61 WeakPolarHBondContact CD1-CD2 3.26Å; I52-H61 VanDerWaalsContact CD1-CG 3.42Å
53	T	77.7	Confident	81.3	Confident	109 Å²	109	64.1 Å²	64.1	67%	0.669	33%	0.33	S	S	*	.	S	Bend	trans	-84.4	-10.7	-163.8	46.6	0	0	0	0	116	K41	K41-T53 WeakPolarHBondContact O-CA 3.48Å
54	S	75.5	Confident	81.7	Confident	49 Å²	49	71.7 Å²	71.7	34%	0.343	36%	0.363	S	S	.	.	S	Bend	trans	-143.4	168.1	177.7	-152.7	0	0	0	0	112.9	E56 T57 L58	S54-E56 WeakPolarHBondContact CB-OE2 3.26Å; S54-E56 PolarHBondContact OG-OE2 3.16Å; S54-T57 WeakPolarHBondContact CB-OG1 3.28Å; S54-T57 PolarHBondContact N-OG1 3.04Å; S54-T57 VanDerWaalsContact N-OG1 3.16Å; S54-T57 PolarHBondContact O-OG1 3.16Å; S54-T57 VanDerWaalsContact O-OG1 3.13Å; S54-L58 WeakPolarHBondContact O-CB 3.43Å; S54-L58 PolarHBondContact O-N 3.4Å; S54-L58 VanDerWaalsContact O-N 3.07Å
55	N	78.9	Confident	81.9	Confident	16 Å²	16	77.2 Å²	77.2	9%	0.086	38%	0.384	C	S	.	.	H	α-helix	trans	-71.5	-37.1	-179.3	-160.8	-90.3	0	0	0	111.8	Y43 L58 R59 M73	Y43-N55 HydrophobicContact CE2-CB 4.42Å; Y43-N55 PolarHBondContact OH-ND2 3.03Å; Y43-N55 VanDerWaalsContact OH-ND2 3.15Å; N55-L58 WeakPolarHBondContact O-CB 3.29Å; N55-L58 PolarHBondContact O-N 3.11Å; N55-R59 WeakPolarHBondContact O-CG 3.47Å; N55-R59 PolarHBondContact O-N 3.29Å; N55-R59 PolarHBondContact OD1-NE 3.02Å; N55-R59 VanDerWaalsContact OD1-NE 3.17Å; N55-R59 PolarHBondContact OD1-NH2 3.1Å; N55-R59 VanDerWaalsContact OD1-NH2 3.1Å; N55-M73 PolarHBondContact ND2-SD 3.35Å; N55-M73 WeakPolarHBondContact OD1-CE 3.46Å
56	E	78.9	Confident	81.9	Confident	117 Å²	117	79.7 Å²	79.7	55%	0.547	40%	0.396	S	S	.	.	H	α-helix	trans	-71.4	-44.1	-177.9	-57.3	66.1	-140.9	0	0	109.8	S54 L58 R59 A60	S54-E56 WeakPolarHBondContact CB-OE2 3.26Å; S54-E56 PolarHBondContact OG-OE2 3.16Å; E56-L58 VanDerWaalsContact C-N 3.3Å; E56-L58 PolarHBondContact O-N 3.08Å; E56-R59 PolarHBondContact O-N 3.05Å; E56-A60 WeakPolarHBondContact O-CB 3.38Å; E56-A60 PolarHBondContact O-N 2.75Å
57	T	83	Confident	82	Confident	68 Å²	68	86.1 Å²	86.1	42%	0.417	42%	0.422	S	S	.	.	H	α-helix	trans	-67.2	-29.9	172.9	49.7	0	0	0	0	112	I52 S54 H61	I52-T57 VanDerWaalsContact CG2-OG1 3.32Å; I52-T57 WeakPolarHBondContact CG2-OG1 3.32Å; S54-T57 WeakPolarHBondContact CB-OG1 3.28Å; S54-T57 PolarHBondContact N-OG1 3.04Å; S54-T57 VanDerWaalsContact N-OG1 3.16Å; S54-T57 PolarHBondContact O-OG1 3.16Å; S54-T57 VanDerWaalsContact O-OG1 3.13Å; T57-H61 WeakPolarHBondContact O-CB 3.33Å; T57-H61 PolarHBondContact O-N 2.92Å
58	L	85.1	Confident	82	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-65.5	-46.5	171.1	-177.3	70.4	0	0	0	111.9	Y43 I52 S54 N55 E56 H61 M62 M71 A106	Y43-L58 HydrophobicContact CD1-CD2 3.73Å; Y43-L58 HydrophobicContact CE1-CD2 4.34Å; Y43-L58 HydrophobicContact CG-CD2 3.83Å; I52-L58 HydrophobicContact CB-CD1 4.47Å; I52-L58 HydrophobicContact CD1-CD1 3.61Å; I52-L58 HydrophobicContact CG2-CB 4.16Å; S54-L58 WeakPolarHBondContact O-CB 3.43Å; S54-L58 PolarHBondContact O-N 3.4Å; S54-L58 VanDerWaalsContact O-N 3.07Å; N55-L58 WeakPolarHBondContact O-CB 3.29Å; N55-L58 PolarHBondContact O-N 3.11Å; E56-L58 VanDerWaalsContact C-N 3.3Å; E56-L58 PolarHBondContact O-N 3.08Å; L58-H61 WeakPolarHBondContact O-CB 3.5Å; L58-H61 PolarHBondContact O-N 2.67Å; L58-M62 HydrophobicContact CD1-CE 3.56Å; L58-M62 HydrophobicContact CG-CE 4.43Å; L58-M62 WeakPolarHBondContact O-CG 3.5Å; L58-M62 PolarHBondContact O-N 3.47Å; L58-M71 HydrophobicContact CD2-CE 4.49Å; L58-M71 HydrophobicContact CD2-SD 4.36Å; L58-M71 HydrophobicContact CG-CE 4.24Å; L58-A106 HydrophobicContact CD1-CB 3.87Å; L58-A106 HydrophobicContact CD2-CB 3.9Å; L58-A106 HydrophobicContact CG-CB 4.45Å
59	R	82.5	Confident	81.6	Confident	137 Å²	137	86.4 Å²	86.4	52%	0.517	43%	0.429	S	S	.	.	H	α-helix	trans	-61.2	-49.8	175.7	-66.5	177.8	-158.9	-169.9	7.1	111.5	N55 E56 H61 M62 Y63 M71	N55-R59 WeakPolarHBondContact O-CG 3.47Å; N55-R59 PolarHBondContact O-N 3.29Å; N55-R59 PolarHBondContact OD1-NE 3.02Å; N55-R59 VanDerWaalsContact OD1-NE 3.17Å; N55-R59 PolarHBondContact OD1-NH2 3.1Å; N55-R59 VanDerWaalsContact OD1-NH2 3.1Å; E56-R59 PolarHBondContact O-N 3.05Å; R59-H61 VanDerWaalsContact C-N 3.26Å; R59-H61 PolarHBondContact O-N 2.99Å; R59-M62 PolarHBondContact O-N 3.44Å; R59-Y63 PolarHBondContact O-N 3.24Å; R59-M71 HydrophobicContact CG-CE 4.4Å; R59-M71 HydrophobicContact CG-SD 4.08Å
60	A	84.4	Confident	81.8	Confident	48 Å²	48	88.2 Å²	88.2	40%	0.397	43%	0.426	S	S	.	.	H	α-helix	trans	-60	-36.6	177.9	0	0	0	0	0	112.2	E56 K64	E56-A60 WeakPolarHBondContact O-CB 3.38Å; E56-A60 PolarHBondContact O-N 2.75Å; A60-K64 VanDerWaalsContact O-CB 3.26Å; A60-K64 WeakPolarHBondContact O-CB 3.48Å; A60-K64 VanDerWaalsContact O-CG 3.28Å; A60-K64 WeakPolarHBondContact O-CG 3.45Å; A60-K64 PolarHBondContact O-N 2.96Å
61	H	86.8	Confident	81.9	Confident	24 Å²	24	83.7 Å²	83.7	11%	0.111	41%	0.407	C	S	.	.	H	α-helix	trans	-64.9	-49.9	173.1	166.1	78	0	0	0	112.4	C45 C48 I52 T57 L58 R59 Y63 K64 K65 H66	C45-H61 PolarHBondContact SG-NE2 2.92Å; C48-H61 PolarHBondContact SG-CE1 3.16Å; C48-H61 PolarHBondContact SG-NE2 3.33Å; I52-H61 HydrophobicContact CD1-CB 3.8Å; I52-H61 WeakPolarHBondContact CD1-CD2 3.26Å; I52-H61 VanDerWaalsContact CD1-CG 3.42Å; T57-H61 WeakPolarHBondContact O-CB 3.33Å; T57-H61 PolarHBondContact O-N 2.92Å; L58-H61 WeakPolarHBondContact O-CB 3.5Å; L58-H61 PolarHBondContact O-N 2.67Å; R59-H61 VanDerWaalsContact C-N 3.26Å; R59-H61 PolarHBondContact O-N 2.99Å; H61-Y63 VanDerWaalsContact C-N 3.33Å; H61-Y63 PolarHBondContact O-N 2.73Å; H61-K64 PolarHBondContact O-N 2.88Å; H61-K65 WeakPolarHBondContact O-CB 3.48Å; H61-K65 PolarHBondContact O-N 3.28Å; H61-H66 AromaticContact CE1-NE2 3.9Å; H61-H66 AromaticContact NE2-CD2 3.56Å; H61-H66 AromaticContact NE2-NE2 3.5Å
62	M	84.2	Confident	82	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-64.4	-38.4	-177.8	-66.3	-56.5	174	0	0	112.3	C45 L58 R59 H66 Q67 I68 M71 I105 A106	C45-M62 HydrophobicContact CB-CE 3.56Å; C45-M62 WeakPolarHBondContact SG-CE 3.41Å; L58-M62 HydrophobicContact CD1-CE 3.56Å; L58-M62 HydrophobicContact CG-CE 4.43Å; L58-M62 WeakPolarHBondContact O-CG 3.5Å; L58-M62 PolarHBondContact O-N 3.47Å; R59-M62 PolarHBondContact O-N 3.44Å; M62-H66 CarbonylContact O-C 3.56Å; M62-H66 WeakPolarHBondContact O-CA 3.49Å; M62-H66 WeakPolarHBondContact O-CB 3.31Å; M62-H66 PolarHBondContact O-N 2.87Å; M62-Q67 PolarHBondContact O-N 3.39Å; M62-I68 HydrophobicContact CB-CB 4.32Å; M62-I68 PolarHBondContact O-N 2.95Å; M62-I68 VanDerWaalsContact O-N 3.16Å; M62-M71 HydrophobicContact CB-CE 3.77Å; M62-M71 HydrophobicContact CG-CE 3.4Å; M62-I105 HydrophobicContact CE-CG2 3.43Å; M62-I105 VanDerWaalsContact CE-CG2 3.43Å; M62-I105 HydrophobicContact CG-CG2 4.1Å; M62-I105 HydrophobicContact SD-CG2 3.39Å; M62-I105 WeakPolarHBondContact SD-CG2 3.38Å; M62-A106 HydrophobicContact CE-CB 4Å
63	Y	86.2	Confident	82	Confident	148 Å²	148	81.3 Å²	81.3	58%	0.58	40%	0.395	S	S	*	.	H	α-helix	trans	-61.3	-54.9	170.3	-177.5	-103.5	0	0	0	111.5	R59 H61 K65 Q67	R59-Y63 PolarHBondContact O-N 3.24Å; H61-Y63 VanDerWaalsContact C-N 3.33Å; H61-Y63 PolarHBondContact O-N 2.73Å; Y63-K65 PolarHBondContact O-N 3.41Å; Y63-Q67 WeakPolarHBondContact O-CA 3.42Å; Y63-Q67 PolarHBondContact O-N 3.05Å
64	K	85.5	Confident	82.2	Confident	167 Å²	167	76.1 Å²	76.1	73%	0.726	36%	0.363	S	S	*	.	H	α-helix	trans	-75.6	-18.1	-173.6	-69.1	-176.3	177.2	-174.9	0	115.9	A60 H61	A60-K64 VanDerWaalsContact O-CB 3.26Å; A60-K64 WeakPolarHBondContact O-CB 3.48Å; A60-K64 VanDerWaalsContact O-CG 3.28Å; A60-K64 WeakPolarHBondContact O-CG 3.45Å; A60-K64 PolarHBondContact O-N 2.96Å; H61-K64 PolarHBondContact O-N 2.88Å
65	K	84.7	Confident	82	Confident	148 Å²	148	83.8 Å²	83.8	64%	0.643	39%	0.385	S	S	*	.	H	α-helix	trans	-121.4	-19	-176.5	-68.4	-60.1	-176	-172.6	0	115.3	H61 Y63	H61-K65 WeakPolarHBondContact O-CB 3.48Å; H61-K65 PolarHBondContact O-N 3.28Å; Y63-K65 PolarHBondContact O-N 3.41Å
66	H	84.3	Confident	81.7	Confident	51 Å²	51	86.4 Å²	86.4	24%	0.236	40%	0.403	C	S	.	.	H	α-helix	trans	-129.2	1	-178.8	-60.8	-66.7	0	0	0	113.3	L47 C48 H61 M62 I68	L47-H66 WeakPolarHBondContact CB-CE1 3.45Å; L47-H66 HydrophobicContact CD1-CB 3.97Å; C48-H66 PolarHBondContact SG-NE2 2.89Å; H61-H66 AromaticContact CE1-NE2 3.9Å; H61-H66 AromaticContact NE2-CD2 3.56Å; H61-H66 AromaticContact NE2-NE2 3.5Å; M62-H66 CarbonylContact O-C 3.56Å; M62-H66 WeakPolarHBondContact O-CA 3.49Å; M62-H66 WeakPolarHBondContact O-CB 3.31Å; M62-H66 PolarHBondContact O-N 2.87Å; H66-I68 HydrophobicContact CB-CD1 4.13Å; H66-I68 HydrophobicContact CB-CG1 4.01Å; H66-I68 WeakPolarHBondContact O-CG1 3.49Å; H66-I68 PolarHBondContact O-N 3.34Å; H66-I68 VanDerWaalsContact O-N 3.11Å
67	Q	82.3	Confident	81.4	Confident	180 Å²	180	81.8 Å²	81.8	84%	0.841	38%	0.384	S	S	*	.			trans	59.8	13.9	-177.4	-58.6	177	-10.7	0	0	114.2	M62 Y63 S69	M62-Q67 PolarHBondContact O-N 3.39Å; Y63-Q67 WeakPolarHBondContact O-CA 3.42Å; Y63-Q67 PolarHBondContact O-N 3.05Å; Q67-S69 PolarHBondContact O-N 2.95Å; Q67-S69 VanDerWaalsContact O-N 3.15Å
68	I	79.5	Confident	80.8	Confident	41 Å²	41	79.2 Å²	79.2	21%	0.21	37%	0.367	C	S	.	.			trans	-85.1	95	-179	-54.4	-177.4	0	0	0	108.7	L47 M62 H66 R70 I105	L47-I68 HydrophobicContact CD1-CD1 3.8Å; M62-I68 HydrophobicContact CB-CB 4.32Å; M62-I68 PolarHBondContact O-N 2.95Å; M62-I68 VanDerWaalsContact O-N 3.16Å; H66-I68 HydrophobicContact CB-CD1 4.13Å; H66-I68 HydrophobicContact CB-CG1 4.01Å; H66-I68 WeakPolarHBondContact O-CG1 3.49Å; H66-I68 PolarHBondContact O-N 3.34Å; H66-I68 VanDerWaalsContact O-N 3.11Å; I68-R70 VanDerWaalsContact CG2-O 3.3Å; I68-R70 WeakPolarHBondContact CG2-O 3.47Å; I68-I105 HydrophobicContact CD1-CD1 3.57Å; I68-I105 HydrophobicContact CD1-CG1 4.1Å; I68-I105 HydrophobicContact CD1-CG2 4.29Å; I68-I105 HydrophobicContact CG2-CD1 4.14Å
69	S	75.8	Confident	80.7	Confident	101 Å²	101	83.1 Å²	83.1	71%	0.706	38%	0.382	S	S	*	.			trans	-69.3	-46.3	-178.6	-179.2	0	0	0	0	113.1	Q67	Q67-S69 PolarHBondContact O-N 2.95Å; Q67-S69 VanDerWaalsContact O-N 3.15Å
70	R	80.8	Confident	80.7	Confident	175 Å²	175	76.6 Å²	76.6	66%	0.66	36%	0.358	S	S	*	.			trans	-108.6	136.5	-179.6	-155.3	170.9	-172.6	102.4	-12.1	110	I68 F72	I68-R70 VanDerWaalsContact CG2-O 3.3Å; I68-R70 WeakPolarHBondContact CG2-O 3.47Å; R70-F72 HydrophobicContact CG-CE2 4.27Å; R70-F72 HydrophobicContact CG-CZ 4.23Å
71	M	83.3	Confident	80.7	Confident	26 Å²	26	74.3 Å²	74.3	13%	0.128	34%	0.339	C	S	.	.			trans	-136.5	150.7	172.4	63.7	163.4	64.4	0	0	110.3	L58 R59 M62 M73 A80 F81	L58-M71 HydrophobicContact CD2-CE 4.49Å; L58-M71 HydrophobicContact CD2-SD 4.36Å; L58-M71 HydrophobicContact CG-CE 4.24Å; R59-M71 HydrophobicContact CG-CE 4.4Å; R59-M71 HydrophobicContact CG-SD 4.08Å; M62-M71 HydrophobicContact CB-CE 3.77Å; M62-M71 HydrophobicContact CG-CE 3.4Å; M71-M73 HydrophobicContact SD-CG 4.15Å; M71-M73 HydrophobicContact SD-SD 4Å; M71-A80 HydrophobicContact SD-CB 3.94Å; M71-F81 WeakPolarHBondContact CA-O 3.43Å
72	F	82.5	Confident	80.5	Confident	54 Å²	54	74.7 Å²	74.7	24%	0.237	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.7	176.8	-61.2	-90.2	0	0	0	109.5	R70 F81 P82 K84 L87	R70-F72 HydrophobicContact CG-CE2 4.27Å; R70-F72 HydrophobicContact CG-CZ 4.23Å; F72-F81 PolarHBondContact N-O 3.11Å; F72-F81 WeakPolarHBondContact O-CD2 3.43Å; F72-F81 PolarHBondContact O-N 3.47Å; F72-P82 VanDerWaalsContact CD2-O 3.27Å; F72-P82 WeakPolarHBondContact CD2-O 3.49Å; F72-K84 HydrophobicContact CD1-CB 4.31Å; F72-K84 HydrophobicContact CD2-CB 4.43Å; F72-K84 VanDerWaalsContact CD2-N 3.3Å; F72-K84 HydrophobicContact CE1-CB 4.04Å; F72-K84 HydrophobicContact CE1-CG 4.43Å; F72-K84 HydrophobicContact CE2-CB 4.18Å; F72-K84 HydrophobicContact CG-CB 4.49Å; F72-K84 HydrophobicContact CZ-CB 3.97Å; F72-L87 HydrophobicContact CB-CB 3.98Å; F72-L87 HydrophobicContact CB-CD2 3.77Å; F72-L87 HydrophobicContact CB-CG 4.48Å
73	M	81.3	Confident	80.4	Confident	48 Å²	48	78.6 Å²	78.6	24%	0.236	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.2	-174.7	-64.5	173.6	-64.4	0	0	112	N55 M71 R75 W79 A80	N55-M73 PolarHBondContact ND2-SD 3.35Å; N55-M73 WeakPolarHBondContact OD1-CE 3.46Å; M71-M73 HydrophobicContact SD-CG 4.15Å; M71-M73 HydrophobicContact SD-SD 4Å; M73-R75 PolarHBondContact O-N 3.38Å; M73-W79 WeakPolarHBondContact CA-O 3.12Å; M73-A80 HydrophobicContact CG-CB 3.96Å
74	C	80	Confident	80.4	Confident	1 Å²	1	79.2 Å²	79.2	1%	0.007	37%	0.37	C	S	.	.			trans	-78.9	116.4	177.7	179	0	0	0	0	111.4	C76 C77 N78 W79 F81 L87 H90	C74-C76 PolarHBondContact O-N 2.66Å; C74-C77 WeakPolarHBondContact CB-SG 3.44Å; C74-C77 PolarHBondContact O-N 2.91Å; C74-C77 VanDerWaalsContact SG-SG 3.65Å; C74-N78 VanDerWaalsContact O-CA 3.31Å; C74-N78 WeakPolarHBondContact O-CA 3.25Å; C74-N78 PolarHBondContact O-N 3.47Å; C74-N78 PolarHBondContact O-OD1 3.25Å; C74-W79 PolarHBondContact N-O 3.49Å; C74-F81 HydrophobicContact CB-CE2 3.96Å; C74-L87 HydrophobicContact CB-CD1 3.54Å; C74-H90 VanDerWaalsContact SG-CD2 3.54Å; C74-H90 PolarHBondContact SG-NE2 3.14Å; C74-H90 VanDerWaalsContact SG-NE2 3.43Å
75	R	72.3	Confident	80.4	Confident	210 Å²	210	75.6 Å²	75.6	79%	0.792	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-7.2	-179.4	-61.9	179.6	179.5	169.8	-1.1	115.2	S32 M73	S32-R75 PolarHBondContact OG-O 2.98Å; M73-R75 PolarHBondContact O-N 3.38Å
76	C	71.5	Confident	80.4	Confident	71 Å²	71	69.1 Å²	69.1	48%	0.48	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-32.9	-179.3	-59.4	0	0	0	0	113.3	C74 M94	C74-C76 PolarHBondContact O-N 2.66Å; C76-M94 HydrophobicContact CB-CE 3.93Å; C76-M94 HydrophobicContact CB-SD 3.8Å
77	C	74.2	Confident	80.5	Confident	19 Å²	19	68 Å²	68	13%	0.128	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-2.4	-173.8	71.3	0	0	0	0	114	C74 W79 H90 M94 S108	C74-C77 WeakPolarHBondContact CB-SG 3.44Å; C74-C77 PolarHBondContact O-N 2.91Å; C74-C77 VanDerWaalsContact SG-SG 3.65Å; C77-W79 HydrophobicContact CB-CG 4.46Å; C77-W79 PolarHBondContact O-N 2.87Å; C77-W79 VanDerWaalsContact O-N 3.08Å; C77-H90 PolarHBondContact SG-NE2 3.45Å; C77-M94 HydrophobicContact CB-CE 4.5Å; C77-S108 PolarHBondContact O-OG 3.37Å
78	N	70.7	Confident	80.6	Confident	14 Å²	14	65 Å²	65	8%	0.075	32%	0.317	C	S	.	.			trans	51.6	26.6	-178.7	-67.2	-13.4	0	0	0	115.4	F40 Y43 C74	F40-N78 VanDerWaalsContact CD2-ND2 3.3Å; F40-N78 WeakPolarHBondContact CD2-ND2 3.22Å; Y43-N78 HydrophobicContact CE1-CB 4.15Å; C74-N78 VanDerWaalsContact O-CA 3.31Å; C74-N78 WeakPolarHBondContact O-CA 3.25Å; C74-N78 PolarHBondContact O-N 3.47Å; C74-N78 PolarHBondContact O-OD1 3.25Å
79	W	82	Confident	80.8	Confident	82 Å²	82	67 Å²	67	31%	0.311	33%	0.327	S	S	.	.			trans	-80.5	141.5	168.9	-64.4	5.7	0	0	0	110.4	M73 C74 C77 F81 H90 I104 A106 K107	M73-W79 WeakPolarHBondContact CA-O 3.12Å; C74-W79 PolarHBondContact N-O 3.49Å; C77-W79 HydrophobicContact CB-CG 4.46Å; C77-W79 PolarHBondContact O-N 2.87Å; C77-W79 VanDerWaalsContact O-N 3.08Å; W79-F81 HydrophobicContact CB-CE2 3.88Å; W79-F81 HydrophobicContact CB-CZ 3.92Å; W79-F81 HydrophobicContact CE3-CZ 4.41Å; W79-F81 WeakPolarHBondContact O-CD2 3.37Å; W79-F81 VanDerWaalsContact O-CE2 3.31Å; W79-F81 WeakPolarHBondContact O-CE2 3.48Å; W79-H90 AromaticContact CE3-CE1 3.99Å; W79-I104 HydrophobicContact CB-CG2 4.21Å; W79-I104 HydrophobicContact CE3-CD1 3.46Å; W79-I104 VanDerWaalsContact CE3-CD1 3.46Å; W79-I104 HydrophobicContact CE3-CG1 3.92Å; W79-I104 HydrophobicContact CE3-CG2 4.39Å; W79-I104 HydrophobicContact CG-CG2 4.47Å; W79-I104 HydrophobicContact CZ3-CD1 3.47Å; W79-I104 VanDerWaalsContact CZ3-CD1 3.47Å; W79-I104 HydrophobicContact CZ3-CG1 4.41Å; W79-A106 CarbonylContact C-O 3.58Å; W79-A106 VanDerWaalsContact CA-O 3.22Å; W79-A106 WeakPolarHBondContact CA-O 3.48Å; W79-K107 HydrophobicContact CD2-CG 4.22Å; W79-K107 HydrophobicContact CG-CG 4.37Å
80	A	82.8	Confident	81.1	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.5	178	0	0	0	0	0	111.3	M71 M73 I105 A106	M71-A80 HydrophobicContact SD-CB 3.94Å; M73-A80 HydrophobicContact CG-CB 3.96Å; A80-I105 PolarHBondContact O-N 2.82Å; A80-A106 HydrophobicContact CB-CB 3.9Å; A80-A106 PolarHBondContact N-O 2.82Å; A80-A106 PolarHBondContact O-N 2.78Å
81	F	84.2	Confident	81.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.1	-176.7	-59.9	-85.1	0	0	0	109.7	M71 F72 C74 W79 L87 H90 V102 S103 I104	M71-F81 WeakPolarHBondContact CA-O 3.43Å; F72-F81 PolarHBondContact N-O 3.11Å; F72-F81 WeakPolarHBondContact O-CD2 3.43Å; F72-F81 PolarHBondContact O-N 3.47Å; C74-F81 HydrophobicContact CB-CE2 3.96Å; W79-F81 HydrophobicContact CB-CE2 3.88Å; W79-F81 HydrophobicContact CB-CZ 3.92Å; W79-F81 HydrophobicContact CE3-CZ 4.41Å; W79-F81 WeakPolarHBondContact O-CD2 3.37Å; W79-F81 VanDerWaalsContact O-CE2 3.31Å; W79-F81 WeakPolarHBondContact O-CE2 3.48Å; F81-L87 HydrophobicContact CB-CB 4.36Å; F81-L87 HydrophobicContact CD2-CB 4.11Å; F81-L87 HydrophobicContact CD2-CD1 3.9Å; F81-L87 HydrophobicContact CE2-CD1 4.04Å; F81-L87 HydrophobicContact CG-CB 4.34Å; F81-H90 HydrophobicContact CE1-CB 3.72Å; F81-H90 AromaticContact CE1-CG 3.9Å; F81-H90 HydrophobicContact CE2-CB 4.16Å; F81-H90 AromaticContact CE2-CD2 3.77Å; F81-H90 AromaticContact CE2-CG 3.87Å; F81-H90 HydrophobicContact CZ-CB 3.52Å; F81-H90 AromaticContact CZ-CD2 3.57Å; F81-H90 AromaticContact CZ-CG 3.23Å; F81-H90 AromaticContact CZ-ND1 3.59Å; F81-V102 HydrophobicContact CD1-CG1 3.54Å; F81-V102 HydrophobicContact CE1-CB 4.39Å; F81-V102 HydrophobicContact CE1-CG1 3.52Å; F81-S103 WeakPolarHBondContact CD1-O 3.13Å; F81-I104 HydrophobicContact CD1-CG1 4.17Å; F81-I104 HydrophobicContact CE1-CB 4.47Å; F81-I104 HydrophobicContact CE1-CG1 3.48Å; F81-I104 VanDerWaalsContact CE1-CG1 3.48Å; F81-I104 HydrophobicContact CZ-CG1 4.09Å
82	P	82.2	Confident	81.1	Confident	32 Å²	32	61.4 Å²	61.4	21%	0.208	30%	0.298	C	S	.	.	S	Bend	trans	-63.3	-48.8	174.6	19.9	-25.2	0	0	0	109.8	F72 S103 I105	F72-P82 VanDerWaalsContact CD2-O 3.27Å; F72-P82 WeakPolarHBondContact CD2-O 3.49Å; P82-S103 WeakPolarHBondContact CD-O 3.43Å; P82-I105 VanDerWaalsContact CA-CD1 3.49Å; P82-I105 HydrophobicContact CB-CD1 3.73Å; P82-I105 HydrophobicContact CG-CD1 4.13Å; P82-I105 VanDerWaalsContact N-CD1 3.31Å
83	D	82.5	Confident	81	Confident	82 Å²	82	59.5 Å²	59.5	44%	0.439	29%	0.292	S	S	.	.	S	Bend	trans	-116.5	152.1	-163.8	-54	-59	0	0	0	113.3	T85 S86 L87	D83-T85 VanDerWaalsContact CB-OG1 3.22Å; D83-T85 WeakPolarHBondContact CB-OG1 3.44Å; D83-T85 PolarHBondContact O-N 3.48Å; D83-S86 PolarHBondContact O-N 3.14Å; D83-L87 PolarHBondContact O-N 3.49Å
84	K	85.3	Confident	80.6	Confident	160 Å²	160	61.9 Å²	61.9	70%	0.696	30%	0.304	S	S	*	.	H	α-helix	trans	-58.5	-32.6	169.5	-171	178.3	179.7	-178.5	0	111.2	F72 H88	F72-K84 HydrophobicContact CD1-CB 4.31Å; F72-K84 HydrophobicContact CD2-CB 4.43Å; F72-K84 VanDerWaalsContact CD2-N 3.3Å; F72-K84 HydrophobicContact CE1-CB 4.04Å; F72-K84 HydrophobicContact CE1-CG 4.43Å; F72-K84 HydrophobicContact CE2-CB 4.18Å; F72-K84 HydrophobicContact CG-CB 4.49Å; F72-K84 HydrophobicContact CZ-CB 3.97Å; K84-H88 WeakPolarHBondContact O-CB 3.48Å; K84-H88 PolarHBondContact O-N 3.49Å
85	T	85.8	Confident	80.2	Confident	91 Å²	91	65.9 Å²	65.9	56%	0.558	34%	0.337	S	S	*	.	H	α-helix	trans	-66.8	-50.7	174.4	51.3	0	0	0	0	111.4	D83 L87 H88 I89	D83-T85 VanDerWaalsContact CB-OG1 3.22Å; D83-T85 WeakPolarHBondContact CB-OG1 3.44Å; D83-T85 PolarHBondContact O-N 3.48Å; T85-L87 PolarHBondContact O-N 2.81Å; T85-H88 PolarHBondContact O-N 2.97Å; T85-H88 VanDerWaalsContact O-N 3.07Å; T85-I89 WeakPolarHBondContact O-CG1 3.15Å; T85-I89 PolarHBondContact O-N 3.44Å
86	S	85.4	Confident	80	Confident	13 Å²	13	60.4 Å²	60.4	9%	0.091	33%	0.327	C	S	.	.	H	α-helix	trans	-57.2	-45.9	175.3	-58.2	0	0	0	0	112	D83 H88 I89 H90 V102	D83-S86 PolarHBondContact O-N 3.14Å; S86-H88 VanDerWaalsContact C-N 3.35Å; S86-H88 PolarHBondContact O-N 2.97Å; S86-I89 PolarHBondContact O-N 3.43Å; S86-H90 WeakPolarHBondContact O-CB 3.46Å; S86-H90 PolarHBondContact O-N 3.05Å; S86-V102 WeakPolarHBondContact O-CG1 3.34Å
87	L	86.6	Confident	79.7	Confident	26 Å²	26	58.7 Å²	58.7	14%	0.136	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-43.1	173.3	173.6	60.7	0	0	0	111.8	F72 C74 F81 D83 T85 H90 M91	F72-L87 HydrophobicContact CB-CB 3.98Å; F72-L87 HydrophobicContact CB-CD2 3.77Å; F72-L87 HydrophobicContact CB-CG 4.48Å; C74-L87 HydrophobicContact CB-CD1 3.54Å; F81-L87 HydrophobicContact CB-CB 4.36Å; F81-L87 HydrophobicContact CD2-CB 4.11Å; F81-L87 HydrophobicContact CD2-CD1 3.9Å; F81-L87 HydrophobicContact CE2-CD1 4.04Å; F81-L87 HydrophobicContact CG-CB 4.34Å; D83-L87 PolarHBondContact O-N 3.49Å; T85-L87 PolarHBondContact O-N 2.81Å; L87-H90 PolarHBondContact O-N 3.48Å; L87-M91 HydrophobicContact CD1-CG 3.96Å; L87-M91 HydrophobicContact CD1-SD 4.12Å; L87-M91 HydrophobicContact CG-CG 4.44Å; L87-M91 HydrophobicContact CG-SD 4.25Å; L87-M91 WeakPolarHBondContact O-CG 3.28Å; L87-M91 PolarHBondContact O-N 2.89Å
88	H	84.4	Confident	79	Confident	117 Å²	117	63.3 Å²	63.3	54%	0.542	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-42.4	179.8	-171.4	87.1	0	0	0	112.4	K84 T85 S86 H90 M91 Q92	K84-H88 WeakPolarHBondContact O-CB 3.48Å; K84-H88 PolarHBondContact O-N 3.49Å; T85-H88 PolarHBondContact O-N 2.97Å; T85-H88 VanDerWaalsContact O-N 3.07Å; S86-H88 VanDerWaalsContact C-N 3.35Å; S86-H88 PolarHBondContact O-N 2.97Å; H88-H90 VanDerWaalsContact C-N 3.32Å; H88-H90 PolarHBondContact O-N 3.27Å; H88-M91 PolarHBondContact O-N 3.28Å; H88-Q92 PolarHBondContact NE2-NE2 3.01Å; H88-Q92 WeakPolarHBondContact O-CB 3.46Å; H88-Q92 PolarHBondContact O-N 3.16Å
89	I	83.4	Confident	78.3	Confident	85 Å²	85	67.9 Å²	67.9	44%	0.436	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-42.9	174.1	-63	162.5	0	0	0	109.8	T85 S86 Q92 A93 V102	T85-I89 WeakPolarHBondContact O-CG1 3.15Å; T85-I89 PolarHBondContact O-N 3.44Å; S86-I89 PolarHBondContact O-N 3.43Å; I89-Q92 PolarHBondContact O-N 2.84Å; I89-A93 VanDerWaalsContact O-CB 3.32Å; I89-A93 WeakPolarHBondContact O-CB 3.4Å; I89-A93 PolarHBondContact O-N 2.95Å; I89-V102 HydrophobicContact CB-CG2 4.02Å; I89-V102 HydrophobicContact CG2-CG2 3.52Å
90	H	82.8	Confident	77.2	Confident	19 Å²	19	65.9 Å²	65.9	9%	0.088	38%	0.38	C	S	.	.	H	α-helix	trans	-62.3	-45.5	175.2	171.9	77.2	0	0	0	112.9	C74 C77 W79 F81 S86 L87 H88 Q92 A93 M94 V102	C74-H90 VanDerWaalsContact SG-CD2 3.54Å; C74-H90 PolarHBondContact SG-NE2 3.14Å; C74-H90 VanDerWaalsContact SG-NE2 3.43Å; C77-H90 PolarHBondContact SG-NE2 3.45Å; W79-H90 AromaticContact CE3-CE1 3.99Å; F81-H90 HydrophobicContact CE1-CB 3.72Å; F81-H90 AromaticContact CE1-CG 3.9Å; F81-H90 HydrophobicContact CE2-CB 4.16Å; F81-H90 AromaticContact CE2-CD2 3.77Å; F81-H90 AromaticContact CE2-CG 3.87Å; F81-H90 HydrophobicContact CZ-CB 3.52Å; F81-H90 AromaticContact CZ-CD2 3.57Å; F81-H90 AromaticContact CZ-CG 3.23Å; F81-H90 AromaticContact CZ-ND1 3.59Å; S86-H90 WeakPolarHBondContact O-CB 3.46Å; S86-H90 PolarHBondContact O-N 3.05Å; L87-H90 PolarHBondContact O-N 3.48Å; H88-H90 VanDerWaalsContact C-N 3.32Å; H88-H90 PolarHBondContact O-N 3.27Å; H90-Q92 VanDerWaalsContact C-N 3.3Å; H90-Q92 PolarHBondContact O-N 2.99Å; H90-A93 WeakPolarHBondContact O-CB 3.24Å; H90-A93 PolarHBondContact O-N 3.05Å; H90-M94 PolarHBondContact NE2-SD 3.27Å; H90-M94 VanDerWaalsContact NE2-SD 3.39Å; H90-M94 WeakPolarHBondContact O-CG 3.29Å; H90-M94 PolarHBondContact O-N 3.36Å; H90-V102 HydrophobicContact CB-CG1 4.45Å
91	M	81.3	Confident	76.2	Confident	97 Å²	97	74 Å²	74	48%	0.478	42%	0.423	S	S	.	.	H	α-helix	trans	-64	-36.6	176.2	-72	-173.9	70.8	0	0	111.8	L87 H88 M94 A95	L87-M91 HydrophobicContact CD1-CG 3.96Å; L87-M91 HydrophobicContact CD1-SD 4.12Å; L87-M91 HydrophobicContact CG-CG 4.44Å; L87-M91 HydrophobicContact CG-SD 4.25Å; L87-M91 WeakPolarHBondContact O-CG 3.28Å; L87-M91 PolarHBondContact O-N 2.89Å; H88-M91 PolarHBondContact O-N 3.28Å; M91-M94 PolarHBondContact O-N 2.83Å; M91-A95 PolarHBondContact O-N 3.12Å; M91-A95 VanDerWaalsContact O-N 3.14Å
92	Q	81.7	Confident	75.6	Confident	68 Å²	68	74.8 Å²	74.8	32%	0.318	43%	0.429	S	S	.	.	H	α-helix	trans	-66.2	-40.4	173.5	-164.5	171.2	124.3	0	0	111.6	H88 I89 H90 A95 T96 R335	H88-Q92 PolarHBondContact NE2-NE2 3.01Å; H88-Q92 WeakPolarHBondContact O-CB 3.46Å; H88-Q92 PolarHBondContact O-N 3.16Å; I89-Q92 PolarHBondContact O-N 2.84Å; H90-Q92 VanDerWaalsContact C-N 3.3Å; H90-Q92 PolarHBondContact O-N 2.99Å; Q92-A95 PolarHBondContact O-N 3.46Å; Q92-T96 WeakPolarHBondContact O-CG2 3.35Å; Q92-T96 PolarHBondContact O-N 2.79Å; Q92-T96 PolarHBondContact O-OG1 3.4Å; Q92-T96 VanDerWaalsContact O-OG1 3.12Å; Q92-R335 VanDerWaalsContact CD-NH2 3.28Å
93	A	80.3	Confident	75.4	Confident	14 Å²	14	77.2 Å²	77.2	12%	0.116	45%	0.446	C	S	.	.	H	α-helix	trans	-64.3	-37.5	173.5	0	0	0	0	0	112.8	I89 H90 A95 G97 N98	I89-A93 VanDerWaalsContact O-CB 3.32Å; I89-A93 WeakPolarHBondContact O-CB 3.4Å; I89-A93 PolarHBondContact O-N 2.95Å; H90-A93 WeakPolarHBondContact O-CB 3.24Å; H90-A93 PolarHBondContact O-N 3.05Å; A93-A95 VanDerWaalsContact C-N 3.3Å; A93-A95 PolarHBondContact O-N 2.85Å; A93-G97 WeakPolarHBondContact O-CA 3.36Å; A93-G97 PolarHBondContact O-N 2.94Å; A93-N98 WeakPolarHBondContact CA-O 3.45Å; A93-N98 WeakPolarHBondContact CB-O 3.13Å
94	M	73.1	Confident	75.2	Confident	97 Å²	97	75.1 Å²	75.1	48%	0.478	44%	0.435	S	S	.	.	H	α-helix	trans	-63.4	-35.7	171.9	-69.5	-161.3	81.4	0	0	112.1	C76 C77 H90 M91	C76-M94 HydrophobicContact CB-CE 3.93Å; C76-M94 HydrophobicContact CB-SD 3.8Å; C77-M94 HydrophobicContact CB-CE 4.5Å; H90-M94 PolarHBondContact NE2-SD 3.27Å; H90-M94 VanDerWaalsContact NE2-SD 3.39Å; H90-M94 WeakPolarHBondContact O-CG 3.29Å; H90-M94 PolarHBondContact O-N 3.36Å; M91-M94 PolarHBondContact O-N 2.83Å
95	A	72.2	Confident	74.9	Confident	86 Å²	86	68 Å²	68	71%	0.711	40%	0.404	S	S	*	.	H	α-helix	trans	-78	-40.1	179	0	0	0	0	0	113.5	M91 Q92 A93	M91-A95 PolarHBondContact O-N 3.12Å; M91-A95 VanDerWaalsContact O-N 3.14Å; Q92-A95 PolarHBondContact O-N 3.46Å; A93-A95 VanDerWaalsContact C-N 3.3Å; A93-A95 PolarHBondContact O-N 2.85Å
96	T	68.1	Low	74.4	Confident	94 Å²	94	63.6 Å²	63.6	58%	0.577	38%	0.377	S	S	*	.	H	α-helix	trans	-81.1	-23.5	178.2	59.6	0	0	0	0	113	Q92 N98	Q92-T96 WeakPolarHBondContact O-CG2 3.35Å; Q92-T96 PolarHBondContact O-N 2.79Å; Q92-T96 PolarHBondContact O-OG1 3.4Å; Q92-T96 VanDerWaalsContact O-OG1 3.12Å; T96-N98 VanDerWaalsContact C-N 3.35Å
97	G	65.4	Low	74.1	Confident	36 Å²	36	67.3 Å²	67.3	37%	0.371	39%	0.392	S	S	.	.	S	Bend	trans	83.2	4.5	-178	0	0	0	0	0	114.9	A93	A93-G97 WeakPolarHBondContact O-CA 3.36Å; A93-G97 PolarHBondContact O-N 2.94Å
98	N	58.7	Low	73.5	Confident	115 Å²	115	66.5 Å²	66.5	62%	0.615	39%	0.388	S	S	*	.			trans	-106.3	115.6	176.9	-172.9	10.5	0	0	0	110	A93 T96 G100	A93-N98 WeakPolarHBondContact CA-O 3.45Å; A93-N98 WeakPolarHBondContact CB-O 3.13Å; T96-N98 VanDerWaalsContact C-N 3.35Å; N98-G100 PolarHBondContact O-N 3.13Å
99	P	57	Low	72.4	Confident	111 Å²	111	63 Å²	63	72%	0.721	38%	0.376	S	S	*	.			trans	-71.5	95.6	179.4	30.2	-34.4	0	0	0	110.9
100	G	57.9	Low	71.4	Confident	39 Å²	39	63 Å²	63	40%	0.402	38%	0.382	S	S	.	.			trans	-57.6	148.9	163.6	0	0	0	0	0	110.7	N98 V102	N98-G100 PolarHBondContact O-N 3.13Å; G100-V102 PolarHBondContact O-N 3.14Å
101	N	62.6	Low	69.7	Low	171 Å²	171	64.2 Å²	64.2	91%	0.914	39%	0.393	S	S	*	.			trans	-69	115.7	174.5	-166.3	-2.7	0	0	0	108.8
102	V	71.6	Confident	67.9	Low	18 Å²	18	65 Å²	65	11%	0.109	40%	0.404	C	S	.	.			trans	-137.1	128.7	-174.5	-178.5	0	0	0	0	109.7	F81 S86 I89 H90 G100 I104	F81-V102 HydrophobicContact CD1-CG1 3.54Å; F81-V102 HydrophobicContact CE1-CB 4.39Å; F81-V102 HydrophobicContact CE1-CG1 3.52Å; S86-V102 WeakPolarHBondContact O-CG1 3.34Å; I89-V102 HydrophobicContact CB-CG2 4.02Å; I89-V102 HydrophobicContact CG2-CG2 3.52Å; H90-V102 HydrophobicContact CB-CG1 4.45Å; G100-V102 PolarHBondContact O-N 3.14Å; V102-I104 WeakPolarHBondContact O-CG1 3.35Å; V102-I104 PolarHBondContact O-N 3.33Å; V102-I104 VanDerWaalsContact O-N 3.12Å
103	S	76.9	Confident	65.9	Low	82 Å²	82	65.8 Å²	65.8	57%	0.573	42%	0.416	S	S	*	.			trans	-62.2	107.3	175.5	-52.1	0	0	0	0	111.6	F81 P82	F81-S103 WeakPolarHBondContact CD1-O 3.13Å; P82-S103 WeakPolarHBondContact CD-O 3.43Å
104	I	78.9	Confident	63.8	Low	39 Å²	39	71.1 Å²	71.1	20%	0.2	45%	0.449	C	S	.	.			trans	-105.7	124.4	177.5	-62.1	146.6	0	0	0	108.3	T46 W79 F81 V102 A106 K107	T46-I104 WeakPolarHBondContact CB-O 3.39Å; T46-I104 HydrophobicContact CG2-CG2 4.33Å; T46-I104 WeakPolarHBondContact CG2-O 3.42Å; T46-I104 PolarHBondContact OG1-O 3.26Å; W79-I104 HydrophobicContact CB-CG2 4.21Å; W79-I104 HydrophobicContact CE3-CD1 3.46Å; W79-I104 VanDerWaalsContact CE3-CD1 3.46Å; W79-I104 HydrophobicContact CE3-CG1 3.92Å; W79-I104 HydrophobicContact CE3-CG2 4.39Å; W79-I104 HydrophobicContact CG-CG2 4.47Å; W79-I104 HydrophobicContact CZ3-CD1 3.47Å; W79-I104 VanDerWaalsContact CZ3-CD1 3.47Å; W79-I104 HydrophobicContact CZ3-CG1 4.41Å; F81-I104 HydrophobicContact CD1-CG1 4.17Å; F81-I104 HydrophobicContact CE1-CB 4.47Å; F81-I104 HydrophobicContact CE1-CG1 3.48Å; F81-I104 VanDerWaalsContact CE1-CG1 3.48Å; F81-I104 HydrophobicContact CZ-CG1 4.09Å; V102-I104 WeakPolarHBondContact O-CG1 3.35Å; V102-I104 PolarHBondContact O-N 3.33Å; V102-I104 VanDerWaalsContact O-N 3.12Å; I104-A106 VanDerWaalsContact CG2-O 3.23Å; I104-A106 WeakPolarHBondContact CG2-O 3.41Å; I104-K107 HydrophobicContact CG2-CG 3.72Å
105	I	78.8	Confident	61.7	Low	9 Å²	9	71.5 Å²	71.5	5%	0.046	46%	0.46	C	S	.	.	S	Bend	trans	-90.7	-30.6	178.9	-67.3	163.7	0	0	0	111.9	T46 L47 M62 I68 A80 P82	T46-I105 PolarHBondContact N-O 2.99Å; T46-I105 VanDerWaalsContact OG1-CA 3.28Å; T46-I105 WeakPolarHBondContact OG1-CA 3.26Å; T46-I105 PolarHBondContact OG1-O 3.12Å; L47-I105 HydrophobicContact CD1-CG2 4.06Å; L47-I105 HydrophobicContact CG-CG2 4.49Å; M62-I105 HydrophobicContact CE-CG2 3.43Å; M62-I105 VanDerWaalsContact CE-CG2 3.43Å; M62-I105 HydrophobicContact CG-CG2 4.1Å; M62-I105 HydrophobicContact SD-CG2 3.39Å; M62-I105 WeakPolarHBondContact SD-CG2 3.38Å; I68-I105 HydrophobicContact CD1-CD1 3.57Å; I68-I105 HydrophobicContact CD1-CG1 4.1Å; I68-I105 HydrophobicContact CD1-CG2 4.29Å; I68-I105 HydrophobicContact CG2-CD1 4.14Å; A80-I105 PolarHBondContact O-N 2.82Å; P82-I105 VanDerWaalsContact CA-CD1 3.49Å; P82-I105 HydrophobicContact CB-CD1 3.73Å; P82-I105 HydrophobicContact CG-CD1 4.13Å; P82-I105 VanDerWaalsContact N-CD1 3.31Å
106	A	76.1	Confident	59.9	Low	0 Å²	0	73.1 Å²	73.1	0%	0	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	145.1	174.1	0	0	0	0	0	111.9	T44 L58 M62 W79 A80 I104	T44-A106 CarbonylContact O-C 3.56Å; T44-A106 WeakPolarHBondContact O-CA 3.47Å; L58-A106 HydrophobicContact CD1-CB 3.87Å; L58-A106 HydrophobicContact CD2-CB 3.9Å; L58-A106 HydrophobicContact CG-CB 4.45Å; M62-A106 HydrophobicContact CE-CB 4Å; W79-A106 CarbonylContact C-O 3.58Å; W79-A106 VanDerWaalsContact CA-O 3.22Å; W79-A106 WeakPolarHBondContact CA-O 3.48Å; A80-A106 HydrophobicContact CB-CB 3.9Å; A80-A106 PolarHBondContact N-O 2.82Å; A80-A106 PolarHBondContact O-N 2.78Å; I104-A106 VanDerWaalsContact CG2-O 3.23Å; I104-A106 WeakPolarHBondContact CG2-O 3.41Å
107	K	78.6	Confident	58.4	Low	91 Å²	91	74.3 Å²	74.3	40%	0.396	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.6	174.7	-64.7	170.1	-176.1	170.2	0	108.3	Y43 T44 T46 W79 I104	Y43-K107 CarbonylContact C-O 3.58Å; Y43-K107 WeakPolarHBondContact CA-O 3.36Å; T44-K107 PolarHBondContact N-O 3.19Å; T44-K107 PolarHBondContact O-N 2.94Å; T44-K107 PolarHBondContact OG1-O 3.18Å; T44-K107 VanDerWaalsContact OG1-O 3.06Å; T46-K107 HydrophobicContact CG2-CD 4.14Å; T46-K107 HydrophobicContact CG2-CG 4.11Å; W79-K107 HydrophobicContact CD2-CG 4.22Å; W79-K107 HydrophobicContact CG-CG 4.37Å; I104-K107 HydrophobicContact CG2-CG 3.72Å
108	S	73.6	Confident	56.8	Low	8 Å²	8	77.9 Å²	77.9	6%	0.056	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.5	171.3	65	0	0	0	0	110.2	F40 S42 C77	F40-S108 VanDerWaalsContact CD1-OG 3.27Å; F40-S108 WeakPolarHBondContact CD1-OG 3.19Å; F40-S108 VanDerWaalsContact CE1-OG 3.25Å; F40-S108 WeakPolarHBondContact CE1-OG 3.5Å; S42-S108 WeakPolarHBondContact O-CA 3.42Å; C77-S108 PolarHBondContact O-OG 3.37Å
109	C	62.1	Low	55.5	Low	43 Å²	43	80 Å²	80	29%	0.291	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.1	170.9	-68.1	0	0	0	0	109	S42 S111	S42-C109 PolarHBondContact O-N 2.93Å; C109-S111 PolarHBondContact O-N 3.34Å
110	P	61.1	Low	54.3	Low	86 Å²	86	78.2 Å²	78.2	56%	0.558	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	130	168.4	-11.2	25.4	0	0	0	109	H39 F40	H39-P110 WeakPolarHBondContact O-CA 3.22Å; F40-P110 HydrophobicContact CE1-CB 4.22Å; F40-P110 HydrophobicContact CE1-CG 4.05Å
111	S	47.4	Very low	53.2	Low	45 Å²	45	81.6 Å²	81.6	32%	0.315	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-67.6	135.3	165.1	56.4	0	0	0	0	109	H39 C109	H39-S111 PolarHBondContact O-N 2.96Å; H39-S111 PolarHBondContact O-OG 3.26Å; C109-S111 PolarHBondContact O-N 3.34Å
112	P	43.2	Very low	52	Low	112 Å²	112	80.3 Å²	80.3	73%	0.727	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-57.6	144.2	171.1	26	-33.9	0	0	0	109.8
113	P	40.1	Very low	50.1	Low	85 Å²	85	86 Å²	86	55%	0.552	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-64.4	145.1	174.4	29	-34.3	0	0	0	109.8	C115	P113-C115 PolarHBondContact O-N 2.88Å
114	P	36.8	Very low	48.2	Very low	127 Å²	127	87.9 Å²	87.9	83%	0.825	56%	0.555	S	S	*	*			trans	-67	97.8	172.6	28.1	-33.2	0	0	0	109.1
115	C	29.7	Very low	46.1	Very low	104 Å²	104	93.8 Å²	93.8	70%	0.703	59%	0.587	S	S	*	*			trans	-93.8	107.2	180	-155.1	0	0	0	0	109.1	P113 T117	P113-C115 PolarHBondContact O-N 2.88Å; C115-T117 VanDerWaalsContact C-N 3.29Å; C115-T117 PolarHBondContact O-N 3.37Å
116	S	33.4	Very low	43.9	Very low	120 Å²	120	96.8 Å²	96.8	84%	0.839	62%	0.62	S	S	*	*			trans	-81.7	61	-171.8	-54.6	0	0	0	0	113.8
117	T	36.1	Very low	41.7	Very low	120 Å²	120	104.1 Å²	104.1	74%	0.736	66%	0.659	S	S	*	*			trans	-148.1	140.6	161.6	33.8	0	0	0	0	110.8	C115	C115-T117 VanDerWaalsContact C-N 3.29Å; C115-T117 PolarHBondContact O-N 3.37Å
118	P	32.6	Very low	39.4	Very low	110 Å²	110	105.3 Å²	105.3	71%	0.714	68%	0.679	S	S	*	*			trans	-96.4	154.2	-170.5	37	-36	0	0	0	115
119	I	32.2	Very low	37.5	Very low	161 Å²	161	109.7 Å²	109.7	83%	0.826	71%	0.71	S	S	*	*			trans	67.8	128.1	150.8	-64.7	162.2	0	0	0	118.3
120	G	31.5	Very low	36.1	Very low	72 Å²	72	116.6 Å²	116.6	74%	0.742	74%	0.737	S	S	*	*			trans	-171	57.8	170.6	0	0	0	0	0	109.2
121	V	34.8	Very low	34.8	Very low	111 Å²	111	115.4 Å²	115.4	67%	0.673	74%	0.741	S	S	*	*			trans	-76.6	124.3	-168.1	177.3	0	0	0	0	111.4
122	V	37.3	Very low	34	Very low	144 Å²	144	117 Å²	117	87%	0.873	76%	0.764	S	S	*	*			trans	-128.5	97.1	156.4	-78.3	0	0	0	0	109.6
123	N	31.2	Very low	33.6	Very low	137 Å²	137	119.2 Å²	119.2	73%	0.733	77%	0.768	S	S	*	*			trans	-70.7	137.1	164.2	-91.7	-12.5	0	0	0	109.2
124	S	37.5	Very low	33.3	Very low	122 Å²	122	124 Å²	124	85%	0.853	78%	0.781	S	S	*	*			trans	-162.5	119.6	135	-85.2	0	0	0	0	111.7
125	N	33.5	Very low	33.6	Very low	163 Å²	163	123.3 Å²	123.3	87%	0.872	78%	0.776	S	S	*	*			trans	-58	149.4	174.2	-48.1	-39.5	0	0	0	111.6
126	G	32.7	Very low	34.3	Very low	72 Å²	72	123.2 Å²	123.2	74%	0.742	78%	0.783	S	S	*	*			trans	168.5	84.2	169.6	0	0	0	0	0	116.5
127	N	30.6	Very low	34.8	Very low	154 Å²	154	122 Å²	122	82%	0.824	77%	0.765	S	S	*	*			trans	37.5	93.5	152.4	-61.4	-4.4	0	0	0	119.5	S129	N127-S129 PolarHBondContact O-N 2.93Å
128	S	30.3	Very low	36.4	Very low	115 Å²	115	120.5 Å²	120.5	80%	0.804	76%	0.757	S	S	*	*			trans	9.5	101.9	131.3	56.7	0	0	0	0	118.8
129	S	33.4	Very low	38	Very low	101 Å²	101	120.5 Å²	120.5	71%	0.706	76%	0.755	S	S	*	*				-179	158.2	127.5	54.1	0	0	0	0	112.3	N127	N127-S129 PolarHBondContact O-N 2.93Å
130	H	33.4	Very low	39.7	Very low	187 Å²	187	122.6 Å²	122.6	87%	0.866	75%	0.753	S	S	*	*	S	Bend	trans	61.9	157.1	172.5	-68.8	-86.4	0	0	0	119.5
131	G	32.8	Very low	41.1	Very low	61 Å²	61	122 Å²	122	63%	0.629	73%	0.731	S	S	*	*			trans	75.2	88.6	155.1	0	0	0	0	0	117.3	I133	G131-I133 PolarHBondContact O-N 3.29Å
132	G	31.4	Very low	42.8	Very low	78 Å²	78	120 Å²	120	80%	0.804	72%	0.718	S	S	*	*			trans	-71.3	69	168.7	0	0	0	0	0	113.5	F134	G132-F134 PolarHBondContact O-N 3.32Å; G132-F134 VanDerWaalsContact O-N 3.13Å
133	I	34.2	Very low	44.4	Very low	159 Å²	159	117.4 Å²	117.4	82%	0.815	70%	0.699	S	S	*	*			trans	-69.3	104.3	173.2	-58.7	175.8	0	0	0	108.2	G131	G131-I133 PolarHBondContact O-N 3.29Å
134	F	34	Very low	46.1	Very low	187 Å²	187	114.1 Å²	114.1	82%	0.82	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-67	136	171.8	-82.5	-91.3	0	0	0	110.1	G132 A136	G132-F134 PolarHBondContact O-N 3.32Å; G132-F134 VanDerWaalsContact O-N 3.13Å; F134-A136 PolarHBondContact O-N 3.07Å
135	P	43.1	Very low	47.4	Very low	112 Å²	112	114.1 Å²	114.1	73%	0.727	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-62	133.2	176.2	25.7	-33.8	0	0	0	110.4	M137	P135-M137 PolarHBondContact O-N 3.35Å
136	A	45.3	Very low	48.9	Very low	101 Å²	101	110.8 Å²	110.8	84%	0.835	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-62.5	119.7	-177.2	0	0	0	0	0	110.9	F134	F134-A136 PolarHBondContact O-N 3.07Å
137	M	43.4	Very low	50.5	Low	94 Å²	94	116 Å²	116	46%	0.463	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-72.3	128.8	178.4	-73	-85.8	-81.5	0	0	110	P135 E141 V142	P135-M137 PolarHBondContact O-N 3.35Å; M137-E141 HydrophobicContact CE-CB 4.48Å; M137-E141 HydrophobicContact CE-CG 3.39Å; M137-E141 HydrophobicContact SD-CG 4.45Å; M137-V142 HydrophobicContact CB-CG2 4.41Å
138	P	69.2	Low	51.6	Low	89 Å²	89	114.3 Å²	114.3	58%	0.578	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-62.7	141.1	-177.5	25.2	-34.1	0	0	0	111.2	R140 E141 V142	P138-R140 PolarHBondContact O-N 3.43Å; P138-E141 HydrophobicContact CG-CB 4.38Å; P138-E141 WeakPolarHBondContact O-CB 3.32Å; P138-E141 PolarHBondContact O-N 3.3Å; P138-V142 PolarHBondContact O-N 2.88Å
139	T	67.2	Low	52.7	Low	111 Å²	111	115.8 Å²	115.8	68%	0.681	62%	0.617	S	S	*	*	H	α-helix	trans	-52.3	-34.9	-169.4	-32	0	0	0	0	113.5	E141 V142 I143	T139-E141 VanDerWaalsContact C-N 3.31Å; T139-E141 PolarHBondContact O-N 2.97Å; T139-V142 WeakPolarHBondContact O-CB 3.32Å; T139-V142 PolarHBondContact O-N 2.83Å; T139-I143 HydrophobicContact CG2-CD1 4.31Å; T139-I143 WeakPolarHBondContact O-CG1 3.32Å; T139-I143 PolarHBondContact O-N 3.38Å
140	R	66.9	Low	53.4	Low	204 Å²	204	112.6 Å²	112.6	77%	0.77	60%	0.597	S	S	*	*	H	α-helix	trans	-59.1	-37.1	176.2	-170.7	175.9	-177.1	175.1	1.7	113.3	P138 I143 N144	P138-R140 PolarHBondContact O-N 3.43Å; R140-I143 PolarHBondContact O-N 2.76Å; R140-N144 PolarHBondContact O-N 3.18Å; R140-N144 PolarHBondContact O-ND2 3.45Å; R140-N144 PolarHBondContact O-OD1 2.9Å
141	E	61	Low	54.3	Low	60 Å²	60	110 Å²	110	28%	0.28	59%	0.588	S	S	.	*	H	α-helix	trans	-76.4	-32.1	177.5	175.7	62.1	-178.8	0	0	111.7	M137 P138 T139 N144 R145	M137-E141 HydrophobicContact CE-CB 4.48Å; M137-E141 HydrophobicContact CE-CG 3.39Å; M137-E141 HydrophobicContact SD-CG 4.45Å; P138-E141 HydrophobicContact CG-CB 4.38Å; P138-E141 WeakPolarHBondContact O-CB 3.32Å; P138-E141 PolarHBondContact O-N 3.3Å; T139-E141 VanDerWaalsContact C-N 3.31Å; T139-E141 PolarHBondContact O-N 2.97Å; E141-N144 PolarHBondContact O-N 3.04Å; E141-N144 PolarHBondContact OE2-ND2 3.25Å; E141-R145 WeakPolarHBondContact O-CG 3.37Å; E141-R145 PolarHBondContact O-N 2.85Å; E141-R145 IonicContact OE1-CZ 3.43Å; E141-R145 IonicContact OE1-NE 3.45Å; E141-R145 PolarHBondContact OE1-NE 2.93Å; E141-R145 IonicContact OE1-NH2 3.38Å; E141-R145 PolarHBondContact OE1-NH2 3.29Å
142	V	69.9	Low	55.2	Low	68 Å²	68	113.2 Å²	113.2	41%	0.412	60%	0.596	S	S	.	*	H	α-helix	trans	-63.5	-45.4	169.8	-175.9	0	0	0	0	110.2	M137 P138 T139 R145 L146	M137-V142 HydrophobicContact CB-CG2 4.41Å; P138-V142 PolarHBondContact O-N 2.88Å; T139-V142 WeakPolarHBondContact O-CB 3.32Å; T139-V142 PolarHBondContact O-N 2.83Å; V142-R145 PolarHBondContact O-N 2.85Å; V142-L146 HydrophobicContact CG1-CD1 4.13Å; V142-L146 WeakPolarHBondContact O-CG 3.33Å; V142-L146 PolarHBondContact O-N 2.9Å
143	I	70.9	Confident	56	Low	90 Å²	90	117.2 Å²	117.2	46%	0.462	59%	0.591	S	S	.	*	H	α-helix	trans	-62.1	-43.3	175.8	-67.5	162.8	0	0	0	111.3	T139 R140 R145 L146 R147	T139-I143 HydrophobicContact CG2-CD1 4.31Å; T139-I143 WeakPolarHBondContact O-CG1 3.32Å; T139-I143 PolarHBondContact O-N 3.38Å; R140-I143 PolarHBondContact O-N 2.76Å; I143-R145 PolarHBondContact O-N 3.36Å; I143-L146 PolarHBondContact O-N 3.32Å; I143-R147 PolarHBondContact O-N 3.49Å
144	N	66.7	Low	56.1	Low	69 Å²	69	112.3 Å²	112.3	37%	0.369	58%	0.579	S	S	.	*	H	α-helix	trans	-57.7	-49.2	174.3	-72.4	-20.3	0	0	0	111.5	R140 E141 L146 R147 E148	R140-N144 PolarHBondContact O-N 3.18Å; R140-N144 PolarHBondContact O-ND2 3.45Å; R140-N144 PolarHBondContact O-OD1 2.9Å; E141-N144 PolarHBondContact O-N 3.04Å; E141-N144 PolarHBondContact OE2-ND2 3.25Å; N144-L146 VanDerWaalsContact C-N 3.31Å; N144-L146 PolarHBondContact O-N 3.19Å; N144-R147 WeakPolarHBondContact O-CA 3.48Å; N144-R147 WeakPolarHBondContact O-CB 3.47Å; N144-R147 PolarHBondContact O-N 3.22Å; N144-R147 VanDerWaalsContact O-N 3.1Å; N144-E148 PolarHBondContact O-N 2.88Å
145	R	64.6	Low	56.3	Low	122 Å²	122	108.6 Å²	108.6	46%	0.46	57%	0.567	S	S	.	*	H	α-helix	trans	-66.7	-30.1	179.3	-70.5	177.7	-173.2	-149.1	-0.7	113.2	E141 V142 I143 R149	E141-R145 WeakPolarHBondContact O-CG 3.37Å; E141-R145 PolarHBondContact O-N 2.85Å; E141-R145 IonicContact OE1-CZ 3.43Å; E141-R145 IonicContact OE1-NE 3.45Å; E141-R145 PolarHBondContact OE1-NE 2.93Å; E141-R145 IonicContact OE1-NH2 3.38Å; E141-R145 PolarHBondContact OE1-NH2 3.29Å; V142-R145 PolarHBondContact O-N 2.85Å; I143-R145 PolarHBondContact O-N 3.36Å; R145-R149 VanDerWaalsContact O-CB 3.29Å; R145-R149 WeakPolarHBondContact O-CB 3.44Å; R145-R149 WeakPolarHBondContact O-CD 3.45Å; R145-R149 VanDerWaalsContact O-CG 3.22Å; R145-R149 WeakPolarHBondContact O-CG 3.28Å; R145-R149 PolarHBondContact O-N 3.47Å
146	L	66.7	Low	56	Low	93 Å²	93	108.9 Å²	108.9	49%	0.487	57%	0.567	S	S	.	*	H	α-helix	trans	-67.6	-41.8	169.8	-74.1	166.8	0	0	0	111.3	V142 I143 N144 R149 A150	V142-L146 HydrophobicContact CG1-CD1 4.13Å; V142-L146 WeakPolarHBondContact O-CG 3.33Å; V142-L146 PolarHBondContact O-N 2.9Å; I143-L146 PolarHBondContact O-N 3.32Å; N144-L146 VanDerWaalsContact C-N 3.31Å; N144-L146 PolarHBondContact O-N 3.19Å; L146-R149 PolarHBondContact O-N 2.98Å; L146-A150 PolarHBondContact O-N 3.02Å
147	R	64.9	Low	55.6	Low	181 Å²	181	111.6 Å²	111.6	68%	0.683	57%	0.568	S	S	*	*	H	α-helix	trans	-61.8	-46.8	173	-110.1	-179.9	177.4	174.9	0.5	112.4	I143 N144 R149 A150 L151	I143-R147 PolarHBondContact O-N 3.49Å; N144-R147 WeakPolarHBondContact O-CA 3.48Å; N144-R147 WeakPolarHBondContact O-CB 3.47Å; N144-R147 PolarHBondContact O-N 3.22Å; N144-R147 VanDerWaalsContact O-N 3.1Å; R147-R149 VanDerWaalsContact C-N 3.34Å; R147-R149 PolarHBondContact O-N 3.39Å; R147-A150 PolarHBondContact O-N 3.25Å; R147-L151 WeakPolarHBondContact O-CG 3.34Å; R147-L151 PolarHBondContact O-N 3.14Å
148	E	54.1	Low	55.2	Low	118 Å²	118	110.7 Å²	110.7	55%	0.551	58%	0.575	S	S	*	*	H	α-helix	trans	-59.6	-44.1	174.8	-70.8	-176.4	158.3	0	0	111.4	N144 A150 L151 V152	N144-E148 PolarHBondContact O-N 2.88Å; E148-A150 VanDerWaalsContact C-N 3.31Å; E148-A150 PolarHBondContact O-N 2.68Å; E148-L151 PolarHBondContact O-N 3.3Å; E148-V152 WeakPolarHBondContact O-CB 3.47Å; E148-V152 VanDerWaalsContact O-CG2 3.32Å; E148-V152 WeakPolarHBondContact O-CG2 3.39Å; E148-V152 PolarHBondContact O-N 3.14Å
149	R	52.9	Low	53.8	Low	146 Å²	146	111.1 Å²	111.1	55%	0.551	58%	0.578	S	S	*	*	H	α-helix	trans	-64.7	-28.6	175.4	-78.2	170.4	164.6	176	-6.8	113.9	R145 L146 R147 K153	R145-R149 VanDerWaalsContact O-CB 3.29Å; R145-R149 WeakPolarHBondContact O-CB 3.44Å; R145-R149 WeakPolarHBondContact O-CD 3.45Å; R145-R149 VanDerWaalsContact O-CG 3.22Å; R145-R149 WeakPolarHBondContact O-CG 3.28Å; R145-R149 PolarHBondContact O-N 3.47Å; L146-R149 PolarHBondContact O-N 2.98Å; R147-R149 VanDerWaalsContact C-N 3.34Å; R147-R149 PolarHBondContact O-N 3.39Å; R149-K153 WeakPolarHBondContact O-CG 3.45Å
150	A	50	Low	52.4	Low	35 Å²	35	112.2 Å²	112.2	29%	0.289	59%	0.59	S	S	.	*	H	α-helix	trans	-75.2	-43.6	173.5	0	0	0	0	0	111.7	L146 R147 E148 K153	L146-A150 PolarHBondContact O-N 3.02Å; R147-A150 PolarHBondContact O-N 3.25Å; E148-A150 VanDerWaalsContact C-N 3.31Å; E148-A150 PolarHBondContact O-N 2.68Å; A150-K153 PolarHBondContact O-N 3.37Å; A150-K153 VanDerWaalsContact O-N 3.09Å
151	L	51.6	Low	51	Low	132 Å²	132	105.9 Å²	105.9	69%	0.691	59%	0.588	S	S	*	*	H	α-helix	trans	-63.6	-40.9	177.4	-69.4	168.9	0	0	0	112.1	R147 E148 K153 G154	R147-L151 WeakPolarHBondContact O-CG 3.34Å; R147-L151 PolarHBondContact O-N 3.14Å; E148-L151 PolarHBondContact O-N 3.3Å; L151-K153 PolarHBondContact O-N 3.48Å; L151-G154 PolarHBondContact O-N 3.28Å
152	V	50.3	Low	49.9	Very low	129 Å²	129	109 Å²	109	78%	0.782	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-20.2	174.5	170.6	0	0	0	0	112.6	E148	E148-V152 WeakPolarHBondContact O-CB 3.47Å; E148-V152 VanDerWaalsContact O-CG2 3.32Å; E148-V152 WeakPolarHBondContact O-CG2 3.39Å; E148-V152 PolarHBondContact O-N 3.14Å
153	K	48.8	Very low	48.2	Very low	162 Å²	162	110.4 Å²	110.4	70%	0.704	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	9.6	177.7	-76.9	-178.3	175.8	-174.6	0	114.5	R149 A150 L151 L155	R149-K153 WeakPolarHBondContact O-CG 3.45Å; A150-K153 PolarHBondContact O-N 3.37Å; A150-K153 VanDerWaalsContact O-N 3.09Å; L151-K153 PolarHBondContact O-N 3.48Å; K153-L155 PolarHBondContact O-N 3.41Å
154	G	36.8	Very low	46.7	Very low	55 Å²	55	111.2 Å²	111.2	57%	0.567	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.5	17.2	175.1	0	0	0	0	0	114.6	L151 T156	L151-G154 PolarHBondContact O-N 3.28Å; G154-T156 PolarHBondContact O-N 3.15Å
155	L	38.3	Very low	45.7	Very low	109 Å²	109	112.6 Å²	112.6	57%	0.571	63%	0.631	S	S	*	*			trans	-78	62.7	176.9	-65.7	174.9	0	0	0	111.3	K153	K153-L155 PolarHBondContact O-N 3.41Å
156	T	35.8	Very low	44.7	Very low	119 Å²	119	110.7 Å²	110.7	73%	0.73	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	135.8	157.9	49.4	0	0	0	0	108.4	G154	G154-T156 PolarHBondContact O-N 3.15Å
157	N	38.6	Very low	43.3	Very low	158 Å²	158	111.1 Å²	111.1	85%	0.845	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.2	36.7	-176.1	-45.1	-17.7	0	0	0	115.8	P159	N157-P159 WeakPolarHBondContact O-CD 3.38Å
158	A	34.4	Very low	41.9	Very low	75 Å²	75	108.9 Å²	108.9	62%	0.62	63%	0.634	S	S	*	*			trans	-71.7	118.1	159.5	0	0	0	0	0	110.1
159	P	39.1	Very low	41.4	Very low	98 Å²	98	108.2 Å²	108.2	64%	0.636	64%	0.64	S	S	*	*			trans	-70.4	139.9	-176.8	28	-34.6	0	0	0	112	N157 G161	N157-P159 WeakPolarHBondContact O-CD 3.38Å; P159-G161 VanDerWaalsContact C-N 3.27Å; P159-G161 PolarHBondContact O-N 3.12Å
160	S	39	Very low	40.7	Very low	134 Å²	134	104.8 Å²	104.8	94%	0.937	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	71.2	177	53	0	0	0	0	111.7
161	G	37.2	Very low	40.1	Very low	70 Å²	70	110 Å²	110	72%	0.722	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-169	9.7	-179.1	0	0	0	0	0	116.8	P159 D163	P159-G161 VanDerWaalsContact C-N 3.27Å; P159-G161 PolarHBondContact O-N 3.12Å; G161-D163 PolarHBondContact O-N 2.85Å; G161-D163 VanDerWaalsContact O-N 3.17Å
162	L	37.5	Very low	39.5	Very low	127 Å²	127	107.6 Å²	107.6	67%	0.665	65%	0.654	S	S	*	*			trans	-81.4	95	178.3	-68.7	178	0	0	0	111.5	L164	L162-L164 PolarHBondContact O-N 3.2Å; L162-L164 VanDerWaalsContact O-N 3.16Å
163	D	33.6	Very low	39.2	Very low	97 Å²	97	110.3 Å²	110.3	52%	0.519	66%	0.655	S	S	.	*			trans	-68.7	103.5	162.2	174.8	30.1	0	0	0	110.3	G161 S165 S166	G161-D163 PolarHBondContact O-N 2.85Å; G161-D163 VanDerWaalsContact O-N 3.17Å; D163-S165 PolarHBondContact O-N 2.98Å; D163-S165 WeakPolarHBondContact OD1-CB 3.4Å; D163-S165 PolarHBondContact OD1-N 3.23Å; D163-S165 PolarHBondContact OD1-OG 3.43Å; D163-S165 WeakPolarHBondContact OD2-CB 3.4Å; D163-S166 PolarHBondContact O-N 3.07Å; D163-S166 PolarHBondContact O-OG 2.85Å
164	L	40	Very low	38.4	Very low	107 Å²	107	111.4 Å²	111.4	56%	0.56	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-70	-10.2	-179.2	-65.7	174.3	0	0	0	113.3	L162 S166 L167	L162-L164 PolarHBondContact O-N 3.2Å; L162-L164 VanDerWaalsContact O-N 3.16Å; L164-S166 PolarHBondContact O-N 2.98Å; L164-L167 HydrophobicContact CD2-CD1 3.85Å; L164-L167 PolarHBondContact O-N 3.22Å
165	S	44.9	Very low	38.3	Very low	97 Å²	97	115.5 Å²	115.5	68%	0.678	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-60.5	-30.6	176.3	-45.3	0	0	0	0	112.1	D163	D163-S165 PolarHBondContact O-N 2.98Å; D163-S165 WeakPolarHBondContact OD1-CB 3.4Å; D163-S165 PolarHBondContact OD1-N 3.23Å; D163-S165 PolarHBondContact OD1-OG 3.43Å; D163-S165 WeakPolarHBondContact OD2-CB 3.4Å
166	S	44.2	Very low	38.2	Very low	83 Å²	83	115 Å²	115	58%	0.58	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-72.5	-25.3	177.5	63.4	0	0	0	0	114.8	D163 L164	D163-S166 PolarHBondContact O-N 3.07Å; D163-S166 PolarHBondContact O-OG 2.85Å; L164-S166 PolarHBondContact O-N 2.98Å
167	L	38.2	Very low	38.1	Very low	101 Å²	101	115.9 Å²	115.9	53%	0.529	69%	0.688	S	S	.	*	S	Bend	trans	-87.4	-12.4	-165.3	-95.9	152.6	0	0	0	114.9	L164	L164-L167 HydrophobicContact CD2-CD1 3.85Å; L164-L167 PolarHBondContact O-N 3.22Å
168	F	35.4	Very low	37.9	Very low	134 Å²	134	111.6 Å²	111.6	59%	0.588	68%	0.681	S	S	*	*			trans	-139.7	66.1	178.8	-72	-77.7	0	0	0	114.5	A170 F171	F168-A170 PolarHBondContact O-N 3.3Å; F168-F171 HydrophobicContact CB-CD2 4.04Å; F168-F171 HydrophobicContact CD1-CD2 4.04Å; F168-F171 HydrophobicContact CD1-CE2 4.19Å; F168-F171 HydrophobicContact CG-CD2 4.24Å; F168-F171 PolarHBondContact O-N 2.81Å
169	P	42.7	Very low	37.9	Very low	104 Å²	104	117 Å²	117	68%	0.675	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-21	176.2	-25	35.1	0	0	0	114.7	S172	P169-S172 PolarHBondContact O-OG 3.12Å
170	A	39	Very low	37.5	Very low	74 Å²	74	115.8 Å²	115.8	61%	0.612	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-18.8	-177.8	0	0	0	0	0	115.3	F168 S172	F168-A170 PolarHBondContact O-N 3.3Å; A170-S172 VanDerWaalsContact C-N 3.3Å; A170-S172 PolarHBondContact O-N 3.42Å
171	F	36.8	Very low	37.2	Very low	144 Å²	144	114.7 Å²	114.7	63%	0.632	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-77	-16.5	-177.5	-97.3	-90.8	0	0	0	113.9	F168 K173 F174	F168-F171 HydrophobicContact CB-CD2 4.04Å; F168-F171 HydrophobicContact CD1-CD2 4.04Å; F168-F171 HydrophobicContact CD1-CE2 4.19Å; F168-F171 HydrophobicContact CG-CD2 4.24Å; F168-F171 PolarHBondContact O-N 2.81Å; F171-K173 PolarHBondContact O-N 3.31Å; F171-K173 VanDerWaalsContact O-N 3.15Å; F171-F174 PolarHBondContact O-N 3.49Å
172	S	39.9	Very low	37	Very low	83 Å²	83	115.3 Å²	115.3	58%	0.58	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-58.5	-22.5	175.8	56.9	0	0	0	0	114.3	P169 A170	P169-S172 PolarHBondContact O-OG 3.12Å; A170-S172 VanDerWaalsContact C-N 3.3Å; A170-S172 PolarHBondContact O-N 3.42Å
173	K	42.4	Very low	36.7	Very low	186 Å²	186	115.8 Å²	115.8	81%	0.809	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-84.9	-3.4	-177.9	-65.6	-174	177.1	-177	0	115.1	F171	F171-K173 PolarHBondContact O-N 3.31Å; F171-K173 VanDerWaalsContact O-N 3.15Å
174	F	33.7	Very low	36.8	Very low	184 Å²	184	114.7 Å²	114.7	81%	0.807	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-108.1	5	177.3	-84.7	-81.1	0	0	0	114	F171	F171-F174 PolarHBondContact O-N 3.49Å
175	L	34.1	Very low	36.3	Very low	141 Å²	141	116.9 Å²	116.9	74%	0.738	73%	0.726	S	S	*	*	S	Bend	trans	-106	115.1	172.6	-65.4	173.5	0	0	0	108.7
176	A	35.9	Very low	35.7	Very low	100 Å²	100	119.7 Å²	119.7	83%	0.826	73%	0.733	S	S	*	*			trans	-67.6	130.2	179.7	0	0	0	0	0	110.5
177	P	33.3	Very low	35.1	Very low	137 Å²	137	120.1 Å²	120.1	89%	0.89	74%	0.736	S	S	*	*			trans	-77.6	126	178.6	30.6	-33.2	0	0	0	110.8
178	G	34.1	Very low	34.9	Very low	67 Å²	67	120.4 Å²	120.4	69%	0.691	75%	0.746	S	S	*	*			trans	-164	128.1	174.5	0	0	0	0	0	110.9
179	L	34.4	Very low	34.8	Very low	189 Å²	189	118.6 Å²	118.6	99%	0.99	75%	0.751	S	S	*	*	S	Bend	trans	64.7	117.3	-170.9	-50.9	174.2	0	0	0	113.4
180	G	30.6	Very low	34.1	Very low	73 Å²	73	121.9 Å²	121.9	75%	0.753	76%	0.761	S	S	*	*			trans	-153.2	174.4	179.8	0	0	0	0	0	112.4
181	A	32.6	Very low	33.6	Very low	110 Å²	110	121.5 Å²	121.5	91%	0.909	76%	0.764	S	S	*	*			trans	63.1	142.9	-170.6	0	0	0	0	0	114.1
182	A	32.8	Very low	33.4	Very low	84 Å²	84	119.7 Å²	119.7	69%	0.694	77%	0.769	S	S	*	*			cis	-144.5	136	12.5	0	0	0	0	0	109
183	V	33	Very low	33	Very low	136 Å²	136	123.3 Å²	123.3	82%	0.824	78%	0.781	S	S	*	*				99.2	128	91.9	162.3	0	0	0	0	113
184	A	34.2	Very low	32.6	Very low	75 Å²	75	119.6 Å²	119.6	62%	0.62	77%	0.77	S	S	*	*			trans	47.5	125.5	159.8	0	0	0	0	0	121
185	D	29.5	Very low	32.5	Very low	153 Å²	153	119.7 Å²	119.7	82%	0.818	77%	0.769	S	S	*	*				25.3	125.8	114.1	-38.6	-41.1	0	0	0	116.3
186	D	32.9	Very low	32.5	Very low	155 Å²	155	116.3 Å²	116.3	83%	0.829	77%	0.769	S	S	*	*				-157.4	-156.8	71.1	-147.8	-33.6	0	0	0	114.2
187	S	31.7	Very low	32.5	Very low	93 Å²	93	118.3 Å²	118.3	65%	0.65	77%	0.771	S	S	*	*			trans	-98.7	160.1	-153.6	-56.8	0	0	0	0	116.5
188	S	33.9	Very low	32.5	Very low	106 Å²	106	119.9 Å²	119.9	74%	0.741	77%	0.766	S	S	*	*			trans	71	128.9	147.2	68.7	0	0	0	0	123.3
189	S	33.6	Very low	32.5	Very low	97 Å²	97	120.5 Å²	120.5	68%	0.678	77%	0.772	S	S	*	*			trans	73.1	112.5	134.8	55.8	0	0	0	0	123.9
190	I	26.9	Very low	32.6	Very low	173 Å²	173	119.3 Å²	119.3	89%	0.887	76%	0.761	S	S	*	*				66	125.2	121.6	-59	165.6	0	0	0	120.2
191	G	30.4	Very low	32.6	Very low	66 Å²	66	126 Å²	126	68%	0.68	77%	0.77	S	S	*	*			trans	128.9	113.3	164.8	0	0	0	0	0	111.4
192	S	31.6	Very low	32.8	Very low	106 Å²	106	124.5 Å²	124.5	74%	0.741	76%	0.758	S	S	*	*			cis	86.6	131.4	34.6	-58.4	0	0	0	0	114.6
193	I	31.9	Very low	32.7	Very low	159 Å²	159	127.4 Å²	127.4	82%	0.815	76%	0.762	S	S	*	*			trans	75.7	139.5	165	-60.8	156.5	0	0	0	113.7
194	D	32.8	Very low	32.5	Very low	108 Å²	108	131.1 Å²	131.1	58%	0.578	77%	0.767	S	S	*	*			cis	-143.3	145.6	-4.3	-125.1	5.7	0	0	0	110.6
195	K	33.2	Very low	32.4	Very low	185 Å²	185	134 Å²	134	80%	0.804	78%	0.777	S	S	*	*				56	132.7	104.7	-69.3	-168.8	-150	92.7	0	120.1
196	G	32.5	Very low	32.6	Very low	70 Å²	70	130.5 Å²	130.5	72%	0.722	78%	0.778	S	S	*	*			trans	132.8	139.4	168.2	0	0	0	0	0	112.1
197	T	37	Very low	32.6	Very low	142 Å²	142	129.1 Å²	129.1	87%	0.871	78%	0.78	S	S	*	*			cis	-156.8	163	-6.6	-25	0	0	0	0	110.8
198	H	32.6	Very low	33.1	Very low	171 Å²	171	129.9 Å²	129.9	79%	0.792	78%	0.783	S	S	*	*			trans	-18.2	144.7	175.2	-91.6	-118	0	0	0	122
199	G	35	Very low	33	Very low	79 Å²	79	133 Å²	133	81%	0.814	79%	0.791	S	S	*	*			trans	-171.8	111.2	154.8	0	0	0	0	0	111.8
200	Q	35.1	Very low	33	Very low	164 Å²	164	131.1 Å²	131.1	77%	0.766	79%	0.788	S	S	*	*			trans	-118.2	130.5	-178.2	-73.2	177.8	-21.3	0	0	111.7
201	F	31.2	Very low	33.2	Very low	213 Å²	213	128.5 Å²	128.5	93%	0.934	79%	0.785	S	S	*	*			trans	-151.2	108.4	151.3	-100	-90.4	0	0	0	105
202	A	36.2	Very low	33.2	Very low	79 Å²	79	134.2 Å²	134.2	65%	0.653	79%	0.793	S	S	*	*				84.1	96.6	65.4	0	0	0	0	0	112.5
203	D	30.9	Very low	33.2	Very low	146 Å²	146	134.3 Å²	134.3	78%	0.781	79%	0.794	S	S	*	*			trans	34.4	123.5	148	-51.5	-32.2	0	0	0	121.4
204	F	30.5	Very low	33.1	Very low	214 Å²	214	136.5 Å²	136.5	94%	0.939	80%	0.798	S	S	*	*			trans	-137.4	114.7	133.1	-117.4	-82.8	0	0	0	109.7
205	T	31.8	Very low	33	Very low	134 Å²	134	135.1 Å²	135.1	82%	0.822	80%	0.802	S	S	*	*			trans	-94.7	138.2	172.5	44.8	0	0	0	0	110.1
206	G	32.5	Very low	32.8	Very low	81 Å²	81	133.9 Å²	133.9	84%	0.835	80%	0.804	S	S	*	*			trans	-160.1	108.2	178.8	0	0	0	0	0	109.1
207	S	34.2	Very low	32.7	Very low	125 Å²	125	139.4 Å²	139.4	87%	0.874	81%	0.811	S	S	*	*			trans	-95.4	175.2	-170.9	-112.3	0	0	0	0	112.4
208	P	41.6	Very low	32.2	Very low	109 Å²	109	138.3 Å²	138.3	71%	0.708	81%	0.808	S	S	*	*			trans	-101.9	-177.7	-154.1	41.8	-38.3	0	0	0	113.9
209	D	31	Very low	32.2	Very low	171 Å²	171	137.6 Å²	137.6	91%	0.914	81%	0.807	S	S	*	*			trans	-161.9	163.8	145.9	-105.3	-32.6	0	0	0	112.4
210	G	33.8	Very low	31.9	Very low	59 Å²	59	143.1 Å²	143.1	61%	0.608	81%	0.812	S	S	*	*			trans	87.2	103.7	-179.6	0	0	0	0	0	113.7
211	S	31.4	Very low	31.7	Very low	118 Å²	118	141.4 Å²	141.4	83%	0.825	81%	0.806	S	S	*	*			cis	48.6	134.9	47.3	81.8	0	0	0	0	112.7
212	E	31.3	Very low	31.6	Very low	185 Å²	185	140 Å²	140	86%	0.864	80%	0.8	S	S	*	*			cis	-128.9	166.2	37.4	-61.1	175.8	129.2	0	0	115.5
213	S	30.7	Very low	31.4	Very low	109 Å²	109	141.8 Å²	141.8	76%	0.762	81%	0.806	S	S	*	*			trans	-115.9	138.2	171.7	56.7	0	0	0	0	110.5
214	F	29.6	Very low	31.3	Very low	205 Å²	205	141.5 Å²	141.5	90%	0.899	81%	0.805	S	S	*	*			trans	-128.2	137	158.3	-110.1	-91.1	0	0	0	110.1
215	A	30.3	Very low	31.3	Very low	79 Å²	79	135.7 Å²	135.7	65%	0.653	80%	0.796	S	S	*	*			trans	-112.8	168.8	178	0	0	0	0	0	110.2
216	D	29.7	Very low	31.3	Very low	158 Å²	158	137.4 Å²	137.4	85%	0.845	80%	0.8	S	S	*	*			trans	39.4	99.6	158.6	-58.4	-18.1	0	0	0	118.5
217	E	30	Very low	31.4	Very low	186 Å²	186	141.2 Å²	141.2	87%	0.869	80%	0.796	S	S	*	*			trans	-138.5	126.9	133.7	-160.9	164.4	-143.2	0	0	110.6	M219	E217-M219 PolarHBondContact O-N 3.05Å
218	C	27.9	Very low	31.4	Very low	120 Å²	120	140.9 Å²	140.9	81%	0.811	79%	0.794	S	S	*	*			trans	-83.3	113.2	-177.6	-74.2	0	0	0	0	111
219	M	31.5	Very low	30.8	Very low	156 Å²	156	142.7 Å²	142.7	77%	0.768	80%	0.797	S	S	*	*			trans	-105.4	95.7	160.3	-86.3	-167.1	-88.9	0	0	110.6	E217 I221	E217-M219 PolarHBondContact O-N 3.05Å; M219-I221 HydrophobicContact CB-CD1 4.5Å; M219-I221 HydrophobicContact CB-CG1 4.32Å; M219-I221 PolarHBondContact O-N 3.11Å; M219-I221 HydrophobicContact SD-CD1 4.27Å
220	E	28.8	Very low	30.9	Very low	195 Å²	195	140.9 Å²	140.9	91%	0.911	79%	0.788	S	S	*	*			trans	-69.5	72.5	164.2	-70.1	-164.5	132.2	0	0	110.4	K222	E220-K222 PolarHBondContact O-N 3.34Å
221	I	31.5	Very low	31.1	Very low	127 Å²	127	146.7 Å²	146.7	65%	0.651	80%	0.801	S	S	*	*			trans	-82.2	110.5	168.3	-64.6	176.8	0	0	0	108.1	M219 C223	M219-I221 HydrophobicContact CB-CD1 4.5Å; M219-I221 HydrophobicContact CB-CG1 4.32Å; M219-I221 PolarHBondContact O-N 3.11Å; M219-I221 HydrophobicContact SD-CD1 4.27Å; I221-C223 PolarHBondContact O-N 3.43Å; I221-C223 VanDerWaalsContact O-N 3.12Å
222	K	28	Very low	31.3	Very low	185 Å²	185	148.9 Å²	148.9	80%	0.804	80%	0.799	S	S	*	*			trans	-67.8	102.2	178.9	-155.9	175.1	-173.1	179.4	0	109.1	E220	E220-K222 PolarHBondContact O-N 3.34Å
223	C	31.7	Very low	31.3	Very low	115 Å²	115	149.6 Å²	149.6	78%	0.777	80%	0.802	S	S	*	*			trans	-96.8	118.6	170.3	-65.3	0	0	0	0	108.6	I221	I221-C223 PolarHBondContact O-N 3.43Å; I221-C223 VanDerWaalsContact O-N 3.12Å
224	D	28.9	Very low	31.5	Very low	141 Å²	141	148.6 Å²	148.6	75%	0.754	80%	0.8	S	S	*	*			trans	-69	169.4	-179.3	-63.9	-68.7	0	0	0	112.7	D226	D224-D226 PolarHBondContact O-N 2.98Å
225	A	30.2	Very low	31.8	Very low	92 Å²	92	149.3 Å²	149.3	76%	0.76	80%	0.798	S	S	*	*			trans	-75.4	97.7	-167.2	0	0	0	0	0	112.9	E227	A225-E227 PolarHBondContact O-N 3.19Å
226	D	33.5	Very low	31.9	Very low	169 Å²	169	152.5 Å²	152.5	90%	0.904	80%	0.804	S	S	*	*			trans	-59.4	116.8	164.4	-102.2	-24.4	0	0	0	110.1	D224	D224-D226 PolarHBondContact O-N 2.98Å
227	E	33.9	Very low	31.9	Very low	162 Å²	162	149.8 Å²	149.8	76%	0.757	80%	0.804	S	S	*	*			trans	-75.3	147.5	-168.2	-62.8	175.9	110	0	0	113	A225	A225-E227 PolarHBondContact O-N 3.19Å
228	S	34.4	Very low	32.3	Very low	117 Å²	117	149.9 Å²	149.9	82%	0.818	80%	0.804	S	S	*	*			trans	-129.6	45.6	170.4	58.1	0	0	0	0	111.8
229	N	29.2	Very low	32.6	Very low	147 Å²	147	152.1 Å²	152.1	79%	0.786	80%	0.803	S	S	*	*			trans	-124.3	13.3	-173.7	-90.6	-17.9	0	0	0	115.1	M231	N229-M231 PolarHBondContact O-N 3.04Å
230	D	32.8	Very low	32.9	Very low	134 Å²	134	154.5 Å²	154.5	72%	0.717	81%	0.812	S	S	*	*			trans	-71.6	77.6	-178.4	-52.8	-22.4	0	0	0	113.2
231	M	38.7	Very low	33.1	Very low	181 Å²	181	150.2 Å²	150.2	89%	0.892	80%	0.795	S	S	*	*			trans	-154.2	32.5	168.3	-137.2	-164.5	-46.3	0	0	116.7	N229	N229-M231 PolarHBondContact O-N 3.04Å
232	E	34.5	Very low	33.3	Very low	164 Å²	164	153 Å²	153	77%	0.766	80%	0.802	S	S	*	*			trans	-144.1	51.9	170.6	-145.2	170	-154.7	0	0	112.8	K503	E232-K503 IonicContact OE1-NZ 2.74Å; E232-K503 PolarHBondContact OE1-NZ 3.42Å; E232-K503 IonicContact OE2-NZ 2.77Å
233	E	32.2	Very low	33.6	Very low	200 Å²	200	149.9 Å²	149.9	94%	0.935	80%	0.804	S	S	*	*			trans	-139.2	95	175	-162	170.7	-116.2	0	0	113.3
234	A	33.7	Very low	33.3	Very low	87 Å²	87	150.2 Å²	150.2	72%	0.719	81%	0.807	S	S	*	*			trans	168	104.4	153.5	0	0	0	0	0	109.2
235	Y	35.8	Very low	33.6	Very low	220 Å²	220	148.9 Å²	148.9	86%	0.863	81%	0.808	S	S	*	*	S	Bend	trans	169.4	144.5	137.5	-104.3	-74.9	0	0	0	110.1
236	N	33.5	Very low	33.7	Very low	147 Å²	147	152.5 Å²	152.5	79%	0.786	81%	0.809	S	S	*	*			trans	69.4	92.6	172.1	-50.6	-5.6	0	0	0	115.4
237	A	30.1	Very low	33.6	Very low	100 Å²	100	149.8 Å²	149.8	83%	0.826	80%	0.804	S	S	*	*			trans	-95.3	123.7	153.4	0	0	0	0	0	108.2
238	E	37.1	Very low	33.8	Very low	189 Å²	189	147.4 Å²	147.4	88%	0.883	80%	0.802	S	S	*	*			trans	-162.3	143.2	168.1	-116.1	158.2	-153.2	0	0	109.8
239	E	35.3	Very low	33.7	Very low	167 Å²	167	150 Å²	150	78%	0.78	81%	0.806	S	S	*	*			trans	48.9	95.2	168.2	-54.9	-156.3	110.7	0	0	120.8
240	E	37.2	Very low	33.7	Very low	206 Å²	206	153.9 Å²	153.9	96%	0.963	81%	0.81	S	S	*	*				-119	141.3	129.5	-81.7	-157.4	144.1	0	0	109.3
241	N	32.6	Very low	34	Very low	105 Å²	105	152.2 Å²	152.2	56%	0.561	81%	0.806	S	S	*	*			trans	-152.2	119.7	-161	-162.1	-24.3	0	0	0	111.8
242	K	36.9	Very low	33.8	Very low	184 Å²	184	148.1 Å²	148.1	80%	0.8	80%	0.795	S	S	*	*			trans	69.9	140.8	-178.8	-58.2	134.9	-174.3	170.3	0	114
243	S	32.7	Very low	33.8	Very low	120 Å²	120	145.8 Å²	145.8	84%	0.839	80%	0.797	S	S	*	*			cis	-131.3	173.9	39	55.7	0	0	0	0	115.5
244	C	26.7	Very low	34	Very low	123 Å²	123	139.9 Å²	139.9	83%	0.831	78%	0.783	S	S	*	*			trans	-118.1	150.8	-174	-52.5	0	0	0	0	111.9
245	S	34.8	Very low	34.2	Very low	112 Å²	112	144.3 Å²	144.3	78%	0.783	79%	0.788	S	S	*	*			trans	-161.9	158.1	136	47.3	0	0	0	0	112.7
246	E	31.8	Very low	34.2	Very low	169 Å²	169	137.4 Å²	137.4	79%	0.79	77%	0.772	S	S	*	*			trans	-48.6	146.6	-170	-67.2	119.4	132	0	0	117.2
247	S	31.7	Very low	34.4	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	77%	0.771	S	S	*	*				67.3	152	54.3	-67.9	0	0	0	0	114.3
248	P	37.7	Very low	34.7	Very low	112 Å²	112	138.5 Å²	138.5	73%	0.727	76%	0.762	S	S	*	*			cis	-131.9	-179.4	-10.4	40.4	-24.3	0	0	0	114.5
249	L	33.7	Very low	34.8	Very low	172 Å²	172	137 Å²	137	90%	0.901	76%	0.755	S	S	*	*				-172.6	166.6	120.8	-98.3	168.2	0	0	0	112.3
250	R	28.9	Very low	34.7	Very low	228 Å²	228	134.1 Å²	134.1	86%	0.86	75%	0.745	S	S	*	*			trans	-150.5	-175.5	-162.4	-124.7	-173.2	175.6	-149.1	3.2	108.7
251	P	38.8	Very low	34.7	Very low	99 Å²	99	131.8 Å²	131.8	64%	0.643	73%	0.734	S	S	*	*			cis	-126.1	-159.7	-16.4	34.4	-10.9	0	0	0	111.4
252	S	33.6	Very low	34.8	Very low	94 Å²	94	131.5 Å²	131.5	66%	0.657	74%	0.741	S	S	*	*				-179.6	146	74.7	-71.8	0	0	0	0	113.2
253	S	35.2	Very low	34.7	Very low	116 Å²	116	130.8 Å²	130.8	81%	0.811	74%	0.744	S	S	*	*			trans	47	148.4	148.2	57.5	0	0	0	0	122.2
254	A	36.1	Very low	34.9	Very low	76 Å²	76	128.6 Å²	128.6	63%	0.628	73%	0.734	S	S	*	*			cis	-170.8	142.7	-19.4	0	0	0	0	0	105.7
255	H	37.7	Very low	35.2	Very low	179 Å²	179	130.1 Å²	130.1	83%	0.829	73%	0.734	S	S	*	*				163.5	162.5	86.5	-94.9	-79.2	0	0	0	105.5
256	S	36	Very low	35.1	Very low	76 Å²	76	129 Å²	129	53%	0.531	73%	0.732	S	S	.	*			cis	163.8	147.5	-30.3	54.5	0	0	0	0	106.5
257	H	37.8	Very low	35.2	Very low	165 Å²	165	126.2 Å²	126.2	76%	0.764	73%	0.731	S	S	*	*			trans	101.1	119.7	179.3	-58.4	-63.7	0	0	0	115.6
258	T	36.6	Very low	35.2	Very low	105 Å²	105	132.3 Å²	132.3	64%	0.644	74%	0.736	S	S	*	*			cis	72.6	145	41.3	77.5	0	0	0	0	112.5
259	Q	38.6	Very low	34.8	Very low	158 Å²	158	132 Å²	132	74%	0.738	74%	0.737	S	S	*	*			cis	-168.3	173.4	-0.2	-124.3	172.4	-77	0	0	107
260	D	34.5	Very low	34.7	Very low	105 Å²	105	128.2 Å²	128.2	56%	0.561	73%	0.725	S	S	*	*			cis	-164.7	-179.4	-2.5	-153.5	-21.1	0	0	0	109.1
261	Q	37.6	Very low	34.9	Very low	158 Å²	158	124.9 Å²	124.9	74%	0.738	72%	0.724	S	S	*	*			trans	64.7	133.9	158.7	-62.8	148.8	48.1	0	0	117.4
262	S	32.8	Very low	34.7	Very low	99 Å²	99	124.1 Å²	124.1	69%	0.692	73%	0.726	S	S	*	*			cis	97.6	140.7	13	93.7	0	0	0	0	117.4
263	L	36.5	Very low	34.7	Very low	168 Å²	168	127.7 Å²	127.7	88%	0.88	73%	0.733	S	S	*	*			trans	71.3	150.2	-179.1	-48.5	176.9	0	0	0	116.2
264	A	35.1	Very low	34.7	Very low	75 Å²	75	128.8 Å²	128.8	62%	0.62	73%	0.725	S	S	*	*			cis	-166.9	170	-26	0	0	0	0	0	110.9
265	N	33.4	Very low	34.5	Very low	154 Å²	154	133.5 Å²	133.5	82%	0.824	73%	0.733	S	S	*	*			trans	71.3	99	156.4	-60.1	-19.5	0	0	0	122.3
266	A	33.6	Very low	34.2	Very low	90 Å²	90	128.1 Å²	128.1	74%	0.744	73%	0.727	S	S	*	*				66.2	131.7	116	0	0	0	0	0	123.9
267	S	32.8	Very low	33.8	Very low	110 Å²	110	133.8 Å²	133.8	77%	0.769	75%	0.745	S	S	*	*			trans	100	106.4	144.5	-51.6	0	0	0	0	121.1
268	R	32	Very low	33.5	Very low	239 Å²	239	132.2 Å²	132.2	90%	0.902	75%	0.747	S	S	*	*			trans	75.3	127.3	141.6	-68.7	-175.6	168.5	-179.3	-3.7	121.9
269	S	29.5	Very low	33.2	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	76%	0.761	S	S	*	*			trans	75.5	144.8	141	46.8	0	0	0	0	122.6
270	S	31.8	Very low	33	Very low	93 Å²	93	133.7 Å²	133.7	65%	0.65	76%	0.762	S	S	*	*			trans	76.4	102	155.1	30.9	0	0	0	0	121
271	D	32.4	Very low	32.8	Very low	157 Å²	157	137 Å²	137	84%	0.84	78%	0.779	S	S	*	*				85.2	157.8	121.7	-49.4	-26.6	0	0	0	123.1
272	A	35.2	Very low	32.4	Very low	83 Å²	83	138.5 Å²	138.5	69%	0.686	79%	0.785	S	S	*	*			trans	68.8	109.7	178.7	0	0	0	0	0	116.6
273	E	33.9	Very low	32.4	Very low	169 Å²	169	142 Å²	142	79%	0.79	79%	0.793	S	S	*	*				71.8	137.3	87.1	-75.7	-167.5	99.9	0	0	113.9
274	Q	35.5	Very low	32.3	Very low	140 Å²	140	140.7 Å²	140.7	65%	0.654	79%	0.786	S	S	*	*			cis	-150.1	170.5	0.8	-101.1	169.7	32.2	0	0	106.2
275	H	31.9	Very low	32.1	Very low	174 Å²	174	144.8 Å²	144.8	81%	0.806	79%	0.794	S	S	*	*			cis	-156.4	-178.3	-0.8	-121.5	-33.7	0	0	0	107.2
276	G	30.2	Very low	32.1	Very low	67 Å²	67	142.8 Å²	142.8	69%	0.691	79%	0.792	S	S	*	*			trans	165.6	33.5	174.9	0	0	0	0	0	121.1
277	E	29.4	Very low	31.9	Very low	194 Å²	194	146.6 Å²	146.6	91%	0.907	80%	0.795	S	S	*	*			trans	44.2	89.7	165.2	-58.6	-166.6	157.7	0	0	119.4
278	T	30.6	Very low	31.8	Very low	132 Å²	132	147 Å²	147	81%	0.81	80%	0.798	S	S	*	*			trans	-125.1	149.2	148.5	50.7	0	0	0	0	109.3
279	L	29.7	Very low	31.8	Very low	179 Å²	179	140.5 Å²	140.5	94%	0.937	80%	0.795	S	S	*	*			trans	-121.7	97.3	-175	-76.5	172.8	0	0	0	112.3
280	P	33.9	Very low	32	Very low	116 Å²	116	144.1 Å²	144.1	75%	0.753	80%	0.804	S	S	*	*			trans	-82.6	144.3	162.5	-2.1	21.5	0	0	0	110.5
281	L	30.8	Very low	31.9	Very low	175 Å²	175	142.9 Å²	142.9	92%	0.916	81%	0.806	S	S	*	*			trans	-110.5	62.8	-174	-150.6	169.7	0	0	0	112.2
282	E	29.7	Very low	31.9	Very low	189 Å²	189	141 Å²	141	88%	0.883	81%	0.805	S	S	*	*			trans	-138	110.2	162.2	-73.9	-157	150.3	0	0	109.9
283	M	33.7	Very low	31.9	Very low	172 Å²	172	144.9 Å²	144.9	85%	0.847	81%	0.813	S	S	*	*			trans	-158.6	145.4	166.8	-142.5	165.8	67.7	0	0	112.8
284	L	33.3	Very low	31.9	Very low	141 Å²	141	142.1 Å²	142.1	74%	0.738	81%	0.812	S	S	*	*			trans	63.1	95.5	165.9	-73.9	156.7	0	0	0	118.3
285	M	31.8	Very low	31.8	Very low	161 Å²	161	143 Å²	143	79%	0.793	82%	0.817	S	S	*	*			trans	-61.3	137.9	135.6	-58.4	174.1	71.9	0	0	109.5
286	S	32.8	Very low	31.7	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	81%	0.813	S	S	*	*			trans	-136.7	94.1	164	49.7	0	0	0	0	110.4	S288	S286-S288 PolarHBondContact O-N 3.41Å
287	Q	28.8	Very low	31.8	Very low	170 Å²	170	144.4 Å²	144.4	79%	0.794	82%	0.82	S	S	*	*			trans	-81.2	109.2	172.6	-61.5	179.5	22.4	0	0	109.7
288	S	31	Very low	32.1	Very low	119 Å²	119	139.9 Å²	139.9	83%	0.832	82%	0.816	S	S	*	*			trans	163.1	112	147.8	40.7	0	0	0	0	111.4	S286	S286-S288 PolarHBondContact O-N 3.41Å
289	A	31.7	Very low	32.2	Very low	101 Å²	101	138.9 Å²	138.9	84%	0.835	82%	0.821	S	S	*	*			trans	176.8	44.6	154.5	0	0	0	0	0	115.4
290	I	34.1	Very low	32.4	Very low	182 Å²	182	134 Å²	134	93%	0.933	82%	0.815	S	S	*	*			trans	-141.7	97.7	147.1	-53	-177.5	0	0	0	108.2
291	G	29.5	Very low	32.5	Very low	67 Å²	67	136.8 Å²	136.8	69%	0.691	82%	0.817	S	S	*	*			trans	-140.8	151.3	168.1	0	0	0	0	0	108.6
292	S	32.7	Very low	33	Very low	117 Å²	117	132 Å²	132	82%	0.818	80%	0.803	S	S	*	*			trans	70.4	103.7	-167.7	-166.8	0	0	0	0	115.3
293	L	35.6	Very low	33.6	Very low	165 Å²	165	128.6 Å²	128.6	86%	0.864	79%	0.791	S	S	*	*				-164.7	135.8	118.5	-100.2	170	0	0	0	109.9
294	C	33.4	Very low	34.2	Very low	112 Å²	112	125.6 Å²	125.6	76%	0.757	78%	0.778	S	S	*	*			trans	-4.9	125	164.7	-118.5	0	0	0	0	117.3
295	M	32.5	Very low	34.7	Very low	157 Å²	157	122.6 Å²	122.6	77%	0.773	77%	0.767	S	S	*	*				46.1	123.9	74.5	-50.5	-58	178.4	0	0	112.3
296	D	30.6	Very low	35.6	Very low	135 Å²	135	120.8 Å²	120.8	72%	0.722	76%	0.759	S	S	*	*			cis	-156.8	163.1	34.1	-110.5	-49.8	0	0	0	115.2
297	T	32.3	Very low	36.1	Very low	136 Å²	136	118.7 Å²	118.7	83%	0.834	74%	0.739	S	S	*	*			trans	68.6	160	158	57.6	0	0	0	0	122.7
298	A	36.5	Very low	36.7	Very low	99 Å²	99	119.8 Å²	119.8	82%	0.818	74%	0.735	S	S	*	*			trans	73.9	89.6	168.1	0	0	0	0	0	118.7
299	A	31.8	Very low	37.4	Very low	112 Å²	112	117.4 Å²	117.4	93%	0.926	72%	0.719	S	S	*	*			trans	-56.6	150	173.8	0	0	0	0	0	115.5
300	G	34.3	Very low	38	Very low	77 Å²	77	115.2 Å²	115.2	79%	0.794	70%	0.701	S	S	*	*	S	Bend	trans	156.8	-26.7	157.9	0	0	0	0	0	118
301	Q	36.5	Very low	38.4	Very low	173 Å²	173	111.4 Å²	111.4	81%	0.808	68%	0.681	S	S	*	*			trans	-143	85.8	-167.7	-67.3	-178.9	-21.4	0	0	112.9
302	A	41.1	Very low	39.1	Very low	75 Å²	75	112.6 Å²	112.6	62%	0.62	68%	0.679	S	S	*	*			trans	-98.1	-33.5	-177	0	0	0	0	0	114.9	P305	A302-P305 VanDerWaalsContact O-CD 3.24Å; A302-P305 WeakPolarHBondContact O-CD 3.47Å
303	D	41.2	Very low	39.8	Very low	117 Å²	117	110.9 Å²	110.9	63%	0.626	67%	0.672	S	S	*	*	S	Bend	trans	-91.5	-15.1	-161.5	-52.2	-62.5	0	0	0	115.7
304	L	46.1	Very low	40.2	Very low	110 Å²	110	104.8 Å²	104.8	58%	0.576	64%	0.643	S	S	*	*	H	α-helix	trans	-62.5	-34.3	-177.1	-85.2	74.5	0	0	0	116.6	I306 R308	L304-I306 VanDerWaalsContact C-N 3.35Å; L304-I306 PolarHBondContact O-N 3.21Å; L304-R308 WeakPolarHBondContact O-CB 3.35Å; L304-R308 PolarHBondContact O-N 2.94Å; L304-R308 VanDerWaalsContact O-N 3.1Å
305	P	43.8	Very low	41	Very low	77 Å²	77	101.8 Å²	101.8	50%	0.5	62%	0.622	S	S	.	*	H	α-helix	trans	-71.7	-28.7	-176.7	28.2	-33	0	0	0	112.9	A302 S309	A302-P305 VanDerWaalsContact O-CD 3.24Å; A302-P305 WeakPolarHBondContact O-CD 3.47Å; P305-S309 WeakPolarHBondContact O-CB 3.28Å; P305-S309 PolarHBondContact O-N 2.82Å; P305-S309 PolarHBondContact O-OG 2.88Å
306	I	50.6	Low	41.5	Very low	124 Å²	124	99.7 Å²	99.7	64%	0.636	61%	0.614	S	S	*	*	H	α-helix	trans	-69.3	-49.5	179.2	-57.3	177.5	0	0	0	109.4	L304 R308 S309 A310	L304-I306 VanDerWaalsContact C-N 3.35Å; L304-I306 PolarHBondContact O-N 3.21Å; I306-R308 PolarHBondContact O-N 3.4Å; I306-S309 WeakPolarHBondContact O-CB 3.49Å; I306-S309 PolarHBondContact O-N 3.31Å; I306-A310 PolarHBondContact O-N 3.32Å
307	L	43.1	Very low	42.3	Very low	68 Å²	68	98.9 Å²	98.9	36%	0.356	61%	0.609	S	S	.	*	H	α-helix	trans	-59.5	-43.6	174.8	-90.9	152.2	0	0	0	112.4	S309 A310 I311 L550	L307-S309 VanDerWaalsContact C-N 3.28Å; L307-S309 PolarHBondContact O-N 3.24Å; L307-A310 PolarHBondContact O-N 3.04Å; L307-I311 VanDerWaalsContact O-CG1 3.3Å; L307-I311 WeakPolarHBondContact O-CG1 3.48Å; L307-I311 PolarHBondContact O-N 3.02Å; L307-L550 HydrophobicContact CD1-CD2 4.25Å
308	R	42.5	Very low	43.3	Very low	192 Å²	192	95.7 Å²	95.7	73%	0.725	59%	0.593	S	S	*	*	H	α-helix	trans	-63.1	-35.6	177.1	-148.1	178.6	-160.3	112.7	0.6	112.2	L304 I306 S312	L304-R308 WeakPolarHBondContact O-CB 3.35Å; L304-R308 PolarHBondContact O-N 2.94Å; L304-R308 VanDerWaalsContact O-N 3.1Å; I306-R308 PolarHBondContact O-N 3.4Å; R308-S312 PolarHBondContact O-N 2.75Å; R308-S312 VanDerWaalsContact O-N 3.16Å
309	S	45.4	Very low	43.9	Very low	70 Å²	70	93.7 Å²	93.7	49%	0.49	57%	0.568	S	S	.	*	H	α-helix	trans	-69.5	-44.6	174.5	-56.8	0	0	0	0	111.9	P305 I306 L307 I311 S312 A313	P305-S309 WeakPolarHBondContact O-CB 3.28Å; P305-S309 PolarHBondContact O-N 2.82Å; P305-S309 PolarHBondContact O-OG 2.88Å; I306-S309 WeakPolarHBondContact O-CB 3.49Å; I306-S309 PolarHBondContact O-N 3.31Å; L307-S309 VanDerWaalsContact C-N 3.28Å; L307-S309 PolarHBondContact O-N 3.24Å; S309-I311 VanDerWaalsContact C-N 3.31Å; S309-I311 PolarHBondContact O-N 2.97Å; S309-S312 CarbonylContact O-C 3.57Å; S309-S312 WeakPolarHBondContact O-CA 3.3Å; S309-S312 PolarHBondContact O-N 3.13Å; S309-S312 PolarHBondContact O-OG 3.44Å; S309-A313 PolarHBondContact O-N 3.08Å
310	A	45.1	Very low	44.9	Very low	55 Å²	55	93 Å²	93	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-61.2	-37.4	175.8	0	0	0	0	0	112.7	I306 L307 S312 A313 S314	I306-A310 PolarHBondContact O-N 3.32Å; L307-A310 PolarHBondContact O-N 3.04Å; A310-S312 VanDerWaalsContact C-N 3.33Å; A310-A313 CarbonylContact O-C 3.56Å; A310-A313 PolarHBondContact O-N 3.4Å; A310-S314 PolarHBondContact O-N 3.28Å; A310-S314 PolarHBondContact O-OG 3.16Å
311	I	42.7	Very low	45.8	Very low	102 Å²	102	96.6 Å²	96.6	52%	0.523	54%	0.539	S	S	.	.	H	α-helix	trans	-66.7	-34.2	173.1	-66.9	164.4	0	0	0	111.3	L307 S309 S314 L550	L307-I311 VanDerWaalsContact O-CG1 3.3Å; L307-I311 WeakPolarHBondContact O-CG1 3.48Å; L307-I311 PolarHBondContact O-N 3.02Å; S309-I311 VanDerWaalsContact C-N 3.31Å; S309-I311 PolarHBondContact O-N 2.97Å; I311-S314 VanDerWaalsContact O-CB 3.32Å; I311-S314 WeakPolarHBondContact O-CB 3.19Å; I311-L550 HydrophobicContact CD1-CD1 4.49Å
312	S	42.8	Very low	46.7	Very low	91 Å²	91	91.7 Å²	91.7	64%	0.636	52%	0.516	S	S	*	.	H	α-helix	trans	-74.4	-27.8	173.7	78.5	0	0	0	0	114	R308 S309 A310	R308-S312 PolarHBondContact O-N 2.75Å; R308-S312 VanDerWaalsContact O-N 3.16Å; S309-S312 CarbonylContact O-C 3.57Å; S309-S312 WeakPolarHBondContact O-CA 3.3Å; S309-S312 PolarHBondContact O-N 3.13Å; S309-S312 PolarHBondContact O-OG 3.44Å; A310-S312 VanDerWaalsContact C-N 3.33Å
313	A	46.7	Very low	47.7	Very low	82 Å²	82	95.1 Å²	95.1	68%	0.678	52%	0.517	S	S	*	.	S	Bend	trans	-88.2	-3.3	176.2	0	0	0	0	0	113.7	S309 A310	S309-A313 PolarHBondContact O-N 3.08Å; A310-A313 CarbonylContact O-C 3.56Å; A310-A313 PolarHBondContact O-N 3.4Å
314	S	44.7	Very low	48.9	Very low	36 Å²	36	96.7 Å²	96.7	25%	0.252	52%	0.518	S	S	.	.	S	Bend	trans	-60.1	159.7	-177.7	-77.8	0	0	0	0	113.3	A310 I311 L316	A310-S314 PolarHBondContact O-N 3.28Å; A310-S314 PolarHBondContact O-OG 3.16Å; I311-S314 VanDerWaalsContact O-CB 3.32Å; I311-S314 WeakPolarHBondContact O-CB 3.19Å; S314-L316 PolarHBondContact O-N 2.92Å
315	P	49.7	Very low	49.9	Very low	50 Å²	50	95 Å²	95	33%	0.325	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	3.2	-165	19.2	-33.4	0	0	0	118	N317 S318 L319 I539	P315-N317 PolarHBondContact O-N 2.82Å; P315-S318 CarbonylContact O-C 3.34Å; P315-S318 WeakPolarHBondContact O-CA 3.48Å; P315-S318 WeakPolarHBondContact O-CB 3.49Å; P315-S318 PolarHBondContact O-N 3.13Å; P315-L319 WeakPolarHBondContact O-CG 3.43Å; P315-L319 PolarHBondContact O-N 3.04Å; P315-I539 HydrophobicContact CB-CD1 4.33Å; P315-I539 HydrophobicContact CG-CD1 4.01Å; P315-I539 HydrophobicContact CG-CG1 4.34Å; P315-I539 HydrophobicContact CG-CG2 3.91Å
316	L	44	Very low	51	Low	113 Å²	113	95 Å²	95	59%	0.592	51%	0.505	S	S	*	.	H	α-helix	trans	-51.6	-39.2	171	-75.5	165.9	0	0	0	113.1	S314 L319 L320	S314-L316 PolarHBondContact O-N 2.92Å; L316-L319 PolarHBondContact O-N 2.85Å; L316-L320 WeakPolarHBondContact O-CB 3.39Å; L316-L320 VanDerWaalsContact O-CG 3.26Å; L316-L320 WeakPolarHBondContact O-CG 3.23Å; L316-L320 PolarHBondContact O-N 3.37Å
317	N	47.5	Very low	51.7	Low	118 Å²	118	92.9 Å²	92.9	63%	0.631	50%	0.495	S	S	*	.	H	α-helix	trans	-68	-36	174.8	-87.6	-33.7	0	0	0	112.6	P315 L320 Y321	P315-N317 PolarHBondContact O-N 2.82Å; N317-L320 PolarHBondContact O-N 3.45Å; N317-Y321 WeakPolarHBondContact O-CB 3.27Å; N317-Y321 PolarHBondContact O-N 2.82Å
318	S	52.9	Low	52.9	Low	69 Å²	69	94.1 Å²	94.1	48%	0.483	51%	0.505	S	S	.	.	H	α-helix	trans	-70.6	-40.8	175.1	-165.3	0	0	0	0	111.7	P315 L320 Y321 Q322	P315-S318 CarbonylContact O-C 3.34Å; P315-S318 WeakPolarHBondContact O-CA 3.48Å; P315-S318 WeakPolarHBondContact O-CB 3.49Å; P315-S318 PolarHBondContact O-N 3.13Å; S318-L320 PolarHBondContact O-N 3.39Å; S318-Y321 CarbonylContact O-C 3.58Å; S318-Y321 WeakPolarHBondContact O-CA 3.38Å; S318-Y321 WeakPolarHBondContact O-CB 3.31Å; S318-Y321 PolarHBondContact O-N 3.11Å; S318-Y321 VanDerWaalsContact O-N 3.11Å; S318-Q322 PolarHBondContact O-N 3.43Å
319	L	49.3	Very low	53.9	Low	56 Å²	56	89.9 Å²	89.9	29%	0.293	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-39	172.7	-71	168.5	0	0	0	111.7	P315 L316 Y321 Q322 K323	P315-L319 WeakPolarHBondContact O-CG 3.43Å; P315-L319 PolarHBondContact O-N 3.04Å; L316-L319 PolarHBondContact O-N 2.85Å; L319-Y321 VanDerWaalsContact C-N 3.32Å; L319-Y321 PolarHBondContact O-N 2.98Å; L319-Q322 PolarHBondContact O-N 2.63Å; L319-K323 WeakPolarHBondContact O-CB 3.2Å; L319-K323 PolarHBondContact O-N 3.15Å
320	L	53.4	Low	54.7	Low	98 Å²	98	93.7 Å²	93.7	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-65.3	-34.4	171.8	-75.6	170.5	0	0	0	112.3	L316 N317 S318 K324	L316-L320 WeakPolarHBondContact O-CB 3.39Å; L316-L320 VanDerWaalsContact O-CG 3.26Å; L316-L320 WeakPolarHBondContact O-CG 3.23Å; L316-L320 PolarHBondContact O-N 3.37Å; N317-L320 PolarHBondContact O-N 3.45Å; S318-L320 PolarHBondContact O-N 3.39Å; L320-K324 WeakPolarHBondContact O-CG 3.41Å; L320-K324 PolarHBondContact O-N 3.23Å
321	Y	53.5	Low	55.3	Low	152 Å²	152	95.5 Å²	95.5	60%	0.596	50%	0.502	S	S	*	.	H	α-helix	trans	-69.5	-47.8	173.2	-173.6	-110.3	0	0	0	111.9	N317 S318 L319 K323 K324 L325	N317-Y321 WeakPolarHBondContact O-CB 3.27Å; N317-Y321 PolarHBondContact O-N 2.82Å; S318-Y321 CarbonylContact O-C 3.58Å; S318-Y321 WeakPolarHBondContact O-CA 3.38Å; S318-Y321 WeakPolarHBondContact O-CB 3.31Å; S318-Y321 PolarHBondContact O-N 3.11Å; S318-Y321 VanDerWaalsContact O-N 3.11Å; L319-Y321 VanDerWaalsContact C-N 3.32Å; L319-Y321 PolarHBondContact O-N 2.98Å; Y321-K323 VanDerWaalsContact C-N 3.28Å; Y321-K323 PolarHBondContact O-N 2.97Å; Y321-K324 WeakPolarHBondContact O-CB 3.35Å; Y321-K324 PolarHBondContact O-N 2.85Å; Y321-K324 VanDerWaalsContact O-N 3.14Å; Y321-L325 HydrophobicContact CD1-CD1 3.88Å; Y321-L325 HydrophobicContact CE1-CD1 3.48Å; Y321-L325 VanDerWaalsContact CE1-CD1 3.48Å; Y321-L325 HydrophobicContact CE1-CG 4.39Å; Y321-L325 PolarHBondContact O-N 2.92Å
322	Q	54.6	Low	56.4	Low	71 Å²	71	97 Å²	97	33%	0.332	51%	0.505	S	S	.	.	H	α-helix	trans	-57.7	-37.8	171.2	-81.9	-169.8	-24.5	0	0	112.4	S318 L319 L325 N326	S318-Q322 PolarHBondContact O-N 3.43Å; L319-Q322 PolarHBondContact O-N 2.63Å; Q322-L325 PolarHBondContact O-N 2.82Å; Q322-N326 VanDerWaalsContact O-CB 3.28Å; Q322-N326 WeakPolarHBondContact O-CB 3.44Å; Q322-N326 PolarHBondContact O-N 3.05Å; Q322-N326 PolarHBondContact O-ND2 3.44Å
323	K	61.9	Low	57.1	Low	146 Å²	146	95.4 Å²	95.4	64%	0.635	50%	0.497	S	S	*	.	H	α-helix	trans	-72.9	-29.4	178	-161.7	165.1	-169.9	164.9	0	112.1	L319 Y321 N327	L319-K323 WeakPolarHBondContact O-CB 3.2Å; L319-K323 PolarHBondContact O-N 3.15Å; Y321-K323 VanDerWaalsContact C-N 3.28Å; Y321-K323 PolarHBondContact O-N 2.97Å; K323-N327 PolarHBondContact O-N 2.99Å; K323-N327 PolarHBondContact O-ND2 2.85Å
324	K	67	Low	57.2	Low	151 Å²	151	96 Å²	96	66%	0.657	49%	0.488	S	S	*	.	H	α-helix	trans	-68.6	-50.2	166.2	-76.5	172.3	179.2	175.2	0	111.1	L320 Y321 N326 N327 V328	L320-K324 WeakPolarHBondContact O-CG 3.41Å; L320-K324 PolarHBondContact O-N 3.23Å; Y321-K324 WeakPolarHBondContact O-CB 3.35Å; Y321-K324 PolarHBondContact O-N 2.85Å; Y321-K324 VanDerWaalsContact O-N 3.14Å; K324-N326 PolarHBondContact O-N 3.24Å; K324-N327 PolarHBondContact O-N 2.83Å; K324-N327 VanDerWaalsContact O-N 3.13Å; K324-V328 WeakPolarHBondContact O-CG2 3.33Å; K324-V328 PolarHBondContact O-N 3.38Å
325	L	67.3	Low	57.5	Low	74 Å²	74	100.3 Å²	100.3	39%	0.387	50%	0.499	S	S	.	.	H	α-helix	trans	-57.4	-47.2	177	-89.9	167.2	0	0	0	112.4	Y321 Q322 N327 V328 L329	Y321-L325 HydrophobicContact CD1-CD1 3.88Å; Y321-L325 HydrophobicContact CE1-CD1 3.48Å; Y321-L325 VanDerWaalsContact CE1-CD1 3.48Å; Y321-L325 HydrophobicContact CE1-CG 4.39Å; Y321-L325 PolarHBondContact O-N 2.92Å; Q322-L325 PolarHBondContact O-N 2.82Å; L325-N327 VanDerWaalsContact C-N 3.3Å; L325-N327 PolarHBondContact O-N 3.17Å; L325-V328 WeakPolarHBondContact O-CA 3.43Å; L325-V328 WeakPolarHBondContact O-CB 3.45Å; L325-V328 PolarHBondContact O-N 3.28Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-L329 PolarHBondContact O-N 3.49Å
326	N	65.4	Low	57.7	Low	78 Å²	78	103.4 Å²	103.4	42%	0.417	51%	0.509	S	S	.	.	H	α-helix	trans	-59.3	-39.2	175.3	-93	-85.8	0	0	0	112.3	Q322 K324 R330	Q322-N326 VanDerWaalsContact O-CB 3.28Å; Q322-N326 WeakPolarHBondContact O-CB 3.44Å; Q322-N326 PolarHBondContact O-N 3.05Å; Q322-N326 PolarHBondContact O-ND2 3.44Å; K324-N326 PolarHBondContact O-N 3.24Å; N326-R330 WeakPolarHBondContact O-CB 3.35Å; N326-R330 PolarHBondContact O-N 2.88Å
327	N	67	Low	57.8	Low	78 Å²	78	101.3 Å²	101.3	42%	0.417	50%	0.504	S	S	.	.	H	α-helix	trans	-68.2	-35.2	173.6	-82.3	-50.9	0	0	0	112.4	K323 K324 L325 N331	K323-N327 PolarHBondContact O-N 2.99Å; K323-N327 PolarHBondContact O-ND2 2.85Å; K324-N327 PolarHBondContact O-N 2.83Å; K324-N327 VanDerWaalsContact O-N 3.13Å; L325-N327 VanDerWaalsContact C-N 3.3Å; L325-N327 PolarHBondContact O-N 3.17Å; N327-N331 VanDerWaalsContact O-CB 3.24Å; N327-N331 WeakPolarHBondContact O-CB 3.44Å; N327-N331 PolarHBondContact O-N 2.97Å; N327-N331 PolarHBondContact O-ND2 3.33Å
328	V	67.2	Low	57.9	Low	95 Å²	95	99.6 Å²	99.6	58%	0.576	50%	0.498	S	S	*	.	H	α-helix	trans	-66.3	-46.4	173.6	172.7	0	0	0	0	111.1	K324 L325 N331 K332	K324-V328 WeakPolarHBondContact O-CG2 3.33Å; K324-V328 PolarHBondContact O-N 3.38Å; L325-V328 WeakPolarHBondContact O-CA 3.43Å; L325-V328 WeakPolarHBondContact O-CB 3.45Å; L325-V328 PolarHBondContact O-N 3.28Å; V328-N331 PolarHBondContact O-N 3.48Å; V328-K332 PolarHBondContact O-N 3.31Å
329	L	65.1	Low	57.5	Low	102 Å²	102	98.7 Å²	98.7	53%	0.534	50%	0.495	S	S	.	.	H	α-helix	trans	-63.1	-44.5	176.3	-69.5	171.6	0	0	0	111.9	L325 N331 K332 A333	L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-L329 PolarHBondContact O-N 3.49Å; L329-N331 VanDerWaalsContact C-N 3.32Å; L329-N331 PolarHBondContact O-N 3.45Å; L329-K332 CarbonylContact O-C 3.56Å; L329-K332 WeakPolarHBondContact O-CA 3.45Å; L329-K332 WeakPolarHBondContact O-CB 3.43Å; L329-K332 PolarHBondContact O-N 2.86Å; L329-A333 PolarHBondContact O-N 2.93Å
330	R	61.5	Low	57.3	Low	151 Å²	151	100.9 Å²	100.9	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-65.2	-34.4	176.2	-163.3	179.9	-59.9	170	0.5	112.1	N326 N334	N326-R330 WeakPolarHBondContact O-CB 3.35Å; N326-R330 PolarHBondContact O-N 2.88Å; R330-N334 WeakPolarHBondContact O-CB 3.46Å; R330-N334 PolarHBondContact O-N 3.2Å
331	N	57.6	Low	56.7	Low	92 Å²	92	98.9 Å²	98.9	49%	0.492	50%	0.501	S	S	.	.	H	α-helix	trans	-68.8	-33.1	169.9	-78.3	-37.6	0	0	0	112.7	N327 V328 L329 R335	N327-N331 VanDerWaalsContact O-CB 3.24Å; N327-N331 WeakPolarHBondContact O-CB 3.44Å; N327-N331 PolarHBondContact O-N 2.97Å; N327-N331 PolarHBondContact O-ND2 3.33Å; V328-N331 PolarHBondContact O-N 3.48Å; L329-N331 VanDerWaalsContact C-N 3.32Å; L329-N331 PolarHBondContact O-N 3.45Å; N331-R335 WeakPolarHBondContact O-CG 3.4Å; N331-R335 PolarHBondContact O-N 3.39Å; N331-R335 VanDerWaalsContact O-N 3.11Å
332	K	66.2	Low	56.5	Low	135 Å²	135	96.4 Å²	96.4	59%	0.587	50%	0.502	S	S	*	.	H	α-helix	trans	-68.2	-46.8	173	-166.4	177.3	-179.3	-175.8	0	110.8	V328 L329 N334 R335 Q336	V328-K332 PolarHBondContact O-N 3.31Å; L329-K332 CarbonylContact O-C 3.56Å; L329-K332 WeakPolarHBondContact O-CA 3.45Å; L329-K332 WeakPolarHBondContact O-CB 3.43Å; L329-K332 PolarHBondContact O-N 2.86Å; K332-N334 PolarHBondContact O-N 3.21Å; K332-R335 WeakPolarHBondContact O-CA 3.46Å; K332-R335 WeakPolarHBondContact O-CB 3.48Å; K332-R335 PolarHBondContact O-N 3.43Å; K332-Q336 PolarHBondContact O-N 2.85Å; K332-Q336 PolarHBondContact O-OE1 2.77Å
333	A	57.3	Low	56.1	Low	56 Å²	56	98.3 Å²	98.3	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-58.6	-41.9	173.4	0	0	0	0	0	112.6	L329 R335 Q336 S337	L329-A333 PolarHBondContact O-N 2.93Å; A333-R335 VanDerWaalsContact C-N 3.32Å; A333-R335 PolarHBondContact O-N 3.14Å; A333-Q336 WeakPolarHBondContact O-CB 3.45Å; A333-Q336 PolarHBondContact O-N 3.46Å; A333-S337 WeakPolarHBondContact O-CB 3.27Å; A333-S337 PolarHBondContact O-N 2.89Å
334	N	49.2	Very low	55.3	Low	95 Å²	95	94.4 Å²	94.4	51%	0.508	50%	0.504	S	S	.	.	H	α-helix	trans	-64.6	-32	173.4	-83.7	-10.1	0	0	0	113.1	R330 K332 T338	R330-N334 WeakPolarHBondContact O-CB 3.46Å; R330-N334 PolarHBondContact O-N 3.2Å; K332-N334 PolarHBondContact O-N 3.21Å; N334-T338 WeakPolarHBondContact O-CB 3.47Å; N334-T338 WeakPolarHBondContact O-CG2 3.48Å; N334-T338 PolarHBondContact O-N 3.43Å; N334-T338 PolarHBondContact O-OG1 2.92Å
335	R	49.8	Very low	54.3	Low	127 Å²	127	90.2 Å²	90.2	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-42.4	171	-70.2	169.1	-171.9	-150.1	-2.2	111.3	Q92 N331 K332 A333 T338 A339	Q92-R335 VanDerWaalsContact CD-NH2 3.28Å; N331-R335 WeakPolarHBondContact O-CG 3.4Å; N331-R335 PolarHBondContact O-N 3.39Å; N331-R335 VanDerWaalsContact O-N 3.11Å; K332-R335 WeakPolarHBondContact O-CA 3.46Å; K332-R335 WeakPolarHBondContact O-CB 3.48Å; K332-R335 PolarHBondContact O-N 3.43Å; A333-R335 VanDerWaalsContact C-N 3.32Å; A333-R335 PolarHBondContact O-N 3.14Å; R335-T338 WeakPolarHBondContact CA-OG1 3.39Å; R335-T338 PolarHBondContact O-N 3.49Å; R335-T338 PolarHBondContact O-OG1 3.47Å; R335-T338 VanDerWaalsContact O-OG1 3.11Å; R335-A339 PolarHBondContact O-N 2.81Å
336	Q	54	Low	53.2	Low	115 Å²	115	88.1 Å²	88.1	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-57.8	-50.3	171	-118.4	86.4	7.8	0	0	111.6	K332 A333 T338 A339 N340	K332-Q336 PolarHBondContact O-N 2.85Å; K332-Q336 PolarHBondContact O-OE1 2.77Å; A333-Q336 WeakPolarHBondContact O-CB 3.45Å; A333-Q336 PolarHBondContact O-N 3.46Å; Q336-T338 PolarHBondContact O-N 2.93Å; Q336-A339 WeakPolarHBondContact O-CB 3.09Å; Q336-A339 PolarHBondContact O-N 3.18Å; Q336-N340 PolarHBondContact O-N 2.81Å; Q336-N340 PolarHBondContact O-OD1 3.11Å
337	S	46.4	Very low	52.5	Low	69 Å²	69	88.8 Å²	88.8	48%	0.483	49%	0.493	S	S	.	.	H	α-helix	trans	-63.8	-38	-178.9	-177.1	0	0	0	0	112.8	A333 N340 S341	A333-S337 WeakPolarHBondContact O-CB 3.27Å; A333-S337 PolarHBondContact O-N 2.89Å; S337-N340 PolarHBondContact O-N 3.17Å; S337-S341 PolarHBondContact O-N 3Å; S337-S341 PolarHBondContact O-OG 3.49Å
338	T	48.7	Very low	51.6	Low	81 Å²	81	88.5 Å²	88.5	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-71.9	-30.2	173.7	47.5	0	0	0	0	113.4	N334 R335 Q336 S341 V342	N334-T338 WeakPolarHBondContact O-CB 3.47Å; N334-T338 WeakPolarHBondContact O-CG2 3.48Å; N334-T338 PolarHBondContact O-N 3.43Å; N334-T338 PolarHBondContact O-OG1 2.92Å; R335-T338 WeakPolarHBondContact CA-OG1 3.39Å; R335-T338 PolarHBondContact O-N 3.49Å; R335-T338 PolarHBondContact O-OG1 3.47Å; R335-T338 VanDerWaalsContact O-OG1 3.11Å; Q336-T338 PolarHBondContact O-N 2.93Å; T338-S341 PolarHBondContact O-OG 3.11Å; T338-V342 WeakPolarHBondContact O-CB 3.35Å; T338-V342 VanDerWaalsContact O-CG2 3.28Å; T338-V342 WeakPolarHBondContact O-CG2 3.39Å; T338-V342 PolarHBondContact O-N 2.81Å
339	A	45.2	Very low	50.5	Low	50 Å²	50	87.6 Å²	87.6	41%	0.413	49%	0.492	S	S	.	.	H	α-helix	trans	-65.8	-44.4	168.2	0	0	0	0	0	111.1	R335 Q336 S341 V342 L343	R335-A339 PolarHBondContact O-N 2.81Å; Q336-A339 WeakPolarHBondContact O-CB 3.09Å; Q336-A339 PolarHBondContact O-N 3.18Å; A339-S341 VanDerWaalsContact C-N 3.35Å; A339-S341 PolarHBondContact O-N 2.87Å; A339-V342 PolarHBondContact O-N 2.9Å; A339-L343 WeakPolarHBondContact O-CG 3.28Å; A339-L343 PolarHBondContact O-N 3.29Å
340	N	44.9	Very low	49.5	Very low	102 Å²	102	88.6 Å²	88.6	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-64.4	-35.6	177.4	-69.2	-2	0	0	0	112.5	Q336 S337 L343 S344	Q336-N340 PolarHBondContact O-N 2.81Å; Q336-N340 PolarHBondContact O-OD1 3.11Å; S337-N340 PolarHBondContact O-N 3.17Å; N340-L343 PolarHBondContact O-N 3.1Å; N340-S344 WeakPolarHBondContact O-CB 3.26Å; N340-S344 PolarHBondContact O-N 3.03Å; N340-S344 PolarHBondContact O-OG 3.21Å
341	S	41.4	Very low	48.7	Very low	57 Å²	57	87.5 Å²	87.5	40%	0.399	50%	0.501	S	S	.	.	H	α-helix	trans	-76.1	-28.7	176	73.5	0	0	0	0	113.4	S337 T338 A339 S344 S345	S337-S341 PolarHBondContact O-N 3Å; S337-S341 PolarHBondContact O-OG 3.49Å; T338-S341 PolarHBondContact O-OG 3.11Å; A339-S341 VanDerWaalsContact C-N 3.35Å; A339-S341 PolarHBondContact O-N 2.87Å; S341-S344 PolarHBondContact O-OG 3.43Å; S341-S345 VanDerWaalsContact O-CB 3.26Å; S341-S345 WeakPolarHBondContact O-CB 3.45Å; S341-S345 PolarHBondContact O-N 2.81Å; S341-S345 PolarHBondContact O-OG 2.95Å
342	V	49.2	Very low	48.1	Very low	100 Å²	100	90.5 Å²	90.5	61%	0.606	51%	0.506	S	S	*	.	H	α-helix	trans	-69.1	-40.3	168.5	169	0	0	0	0	110.8	T338 A339 S345 G346	T338-V342 WeakPolarHBondContact O-CB 3.35Å; T338-V342 VanDerWaalsContact O-CG2 3.28Å; T338-V342 WeakPolarHBondContact O-CG2 3.39Å; T338-V342 PolarHBondContact O-N 2.81Å; A339-V342 PolarHBondContact O-N 2.9Å; V342-S345 PolarHBondContact O-OG 3.45Å; V342-G346 PolarHBondContact O-N 3.19Å
343	L	45.7	Very low	47.1	Very low	111 Å²	111	87.6 Å²	87.6	58%	0.581	51%	0.507	S	S	*	.	H	α-helix	trans	-65.3	-46.8	173.5	-72.4	168.1	0	0	0	111.9	A339 N340 G346 I347	A339-L343 WeakPolarHBondContact O-CG 3.28Å; A339-L343 PolarHBondContact O-N 3.29Å; N340-L343 PolarHBondContact O-N 3.1Å; L343-G346 PolarHBondContact O-N 3Å; L343-I347 WeakPolarHBondContact O-CG1 3.32Å; L343-I347 PolarHBondContact O-N 3.16Å
344	S	45.7	Very low	46.3	Very low	63 Å²	63	89 Å²	89	44%	0.441	51%	0.507	S	S	.	.	H	α-helix	trans	-68.4	-36	-179.8	75.5	0	0	0	0	112.6	N340 S341 I347 T348	N340-S344 WeakPolarHBondContact O-CB 3.26Å; N340-S344 PolarHBondContact O-N 3.03Å; N340-S344 PolarHBondContact O-OG 3.21Å; S341-S344 PolarHBondContact O-OG 3.43Å; S344-I347 PolarHBondContact O-N 3.19Å; S344-T348 VanDerWaalsContact O-CB 3.27Å; S344-T348 WeakPolarHBondContact O-CB 3.19Å; S344-T348 PolarHBondContact O-N 2.95Å; S344-T348 PolarHBondContact O-OG1 3.35Å
345	S	44.5	Very low	46.1	Very low	63 Å²	63	89.2 Å²	89.2	44%	0.441	50%	0.504	S	S	.	.	H	α-helix	trans	-72.9	-27.3	172.3	58.9	0	0	0	0	113.2	S341 V342 S349	S341-S345 VanDerWaalsContact O-CB 3.26Å; S341-S345 WeakPolarHBondContact O-CB 3.45Å; S341-S345 PolarHBondContact O-N 2.81Å; S341-S345 PolarHBondContact O-OG 2.95Å; V342-S345 PolarHBondContact O-OG 3.45Å; S345-S349 VanDerWaalsContact O-CB 3.29Å; S345-S349 WeakPolarHBondContact O-CB 3.22Å; S345-S349 PolarHBondContact O-N 3.46Å; S345-S349 PolarHBondContact O-OG 3.21Å
346	G	46.2	Very low	46	Very low	31 Å²	31	87.2 Å²	87.2	32%	0.32	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-52.1	166.6	0	0	0	0	0	112.1	V342 L343 T348 S349 L350	V342-G346 PolarHBondContact O-N 3.19Å; L343-G346 PolarHBondContact O-N 3Å; G346-T348 VanDerWaalsContact C-N 3.34Å; G346-T348 PolarHBondContact O-N 3.25Å; G346-S349 WeakPolarHBondContact O-CB 3.45Å; G346-S349 PolarHBondContact O-N 3.44Å; G346-S349 VanDerWaalsContact O-N 3.11Å; G346-L350 WeakPolarHBondContact O-CD1 3.22Å; G346-L350 PolarHBondContact O-N 2.82Å
347	I	49.9	Very low	45.4	Very low	91 Å²	91	86.6 Å²	86.6	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-59.6	-44.3	175.5	-66.8	163.5	0	0	0	110.8	L343 S344 S349 L350 M351	L343-I347 WeakPolarHBondContact O-CG1 3.32Å; L343-I347 PolarHBondContact O-N 3.16Å; S344-I347 PolarHBondContact O-N 3.19Å; I347-S349 VanDerWaalsContact C-N 3.28Å; I347-S349 PolarHBondContact O-N 2.95Å; I347-L350 PolarHBondContact O-N 3Å; I347-M351 HydrophobicContact CG2-CE 4.38Å; I347-M351 HydrophobicContact CG2-CG 4.43Å; I347-M351 WeakPolarHBondContact O-CG 3.32Å; I347-M351 PolarHBondContact O-N 3Å
348	T	47.6	Very low	45.5	Very low	72 Å²	72	86.7 Å²	86.7	44%	0.442	50%	0.5	S	S	.	.	H	α-helix	trans	-63.8	-34.3	176.5	-55.3	0	0	0	0	111.5	S344 G346 M351 Y352	S344-T348 VanDerWaalsContact O-CB 3.27Å; S344-T348 WeakPolarHBondContact O-CB 3.19Å; S344-T348 PolarHBondContact O-N 2.95Å; S344-T348 PolarHBondContact O-OG1 3.35Å; G346-T348 VanDerWaalsContact C-N 3.34Å; G346-T348 PolarHBondContact O-N 3.25Å; T348-M351 PolarHBondContact O-N 3.42Å; T348-Y352 HydrophobicContact CG2-CD2 4.12Å; T348-Y352 HydrophobicContact CG2-CE2 4.28Å; T348-Y352 WeakPolarHBondContact O-CB 3.49Å; T348-Y352 WeakPolarHBondContact O-CD2 3.33Å; T348-Y352 PolarHBondContact O-N 3.34Å
349	S	45	Very low	45.5	Very low	77 Å²	77	89.6 Å²	89.6	54%	0.538	51%	0.508	S	S	.	.	H	α-helix	trans	-69.7	-38.7	174	-63.4	0	0	0	0	112.2	S345 G346 I347 Y352 A353	S345-S349 VanDerWaalsContact O-CB 3.29Å; S345-S349 WeakPolarHBondContact O-CB 3.22Å; S345-S349 PolarHBondContact O-N 3.46Å; S345-S349 PolarHBondContact O-OG 3.21Å; G346-S349 WeakPolarHBondContact O-CB 3.45Å; G346-S349 PolarHBondContact O-N 3.44Å; G346-S349 VanDerWaalsContact O-N 3.11Å; I347-S349 VanDerWaalsContact C-N 3.28Å; I347-S349 PolarHBondContact O-N 2.95Å; S349-Y352 PolarHBondContact O-N 3.06Å; S349-A353 VanDerWaalsContact O-CB 3.26Å; S349-A353 WeakPolarHBondContact O-CB 3.47Å; S349-A353 PolarHBondContact O-N 2.8Å
350	L	43.5	Very low	45.5	Very low	122 Å²	122	96.4 Å²	96.4	64%	0.639	52%	0.523	S	S	*	.	H	α-helix	trans	-62.6	-45.4	170.8	-92.7	80.4	0	0	0	111.5	G346 I347 Y352 A353 N354	G346-L350 WeakPolarHBondContact O-CD1 3.22Å; G346-L350 PolarHBondContact O-N 2.82Å; I347-L350 PolarHBondContact O-N 3Å; L350-Y352 VanDerWaalsContact C-N 3.33Å; L350-Y352 PolarHBondContact O-N 2.89Å; L350-A353 PolarHBondContact O-N 3.13Å; L350-N354 PolarHBondContact O-N 3.08Å; L350-N354 VanDerWaalsContact O-N 3.16Å
351	M	45.2	Very low	45.4	Very low	129 Å²	129	96.9 Å²	96.9	64%	0.635	53%	0.525	S	S	*	.	H	α-helix	trans	-56.9	-45	174.9	-67.1	-90.6	-160.8	0	0	111.6	I347 T348	I347-M351 HydrophobicContact CG2-CE 4.38Å; I347-M351 HydrophobicContact CG2-CG 4.43Å; I347-M351 WeakPolarHBondContact O-CG 3.32Å; I347-M351 PolarHBondContact O-N 3Å; T348-M351 PolarHBondContact O-N 3.42Å
352	Y	45.4	Very low	45.5	Very low	154 Å²	154	102.4 Å²	102.4	60%	0.604	54%	0.542	S	S	*	.	H	α-helix	trans	-78	-24.5	-178.6	-90.7	-124.8	0	0	0	114	T348 S349 L350 K355	T348-Y352 HydrophobicContact CG2-CD2 4.12Å; T348-Y352 HydrophobicContact CG2-CE2 4.28Å; T348-Y352 WeakPolarHBondContact O-CB 3.49Å; T348-Y352 WeakPolarHBondContact O-CD2 3.33Å; T348-Y352 PolarHBondContact O-N 3.34Å; S349-Y352 PolarHBondContact O-N 3.06Å; L350-Y352 VanDerWaalsContact C-N 3.33Å; L350-Y352 PolarHBondContact O-N 2.89Å; Y352-K355 VanDerWaalsContact CD1-NZ 3.28Å; Y352-K355 VanDerWaalsContact CE1-NZ 3.29Å; Y352-K355 WeakPolarHBondContact O-CG 3.29Å
353	A	44.9	Very low	45.5	Very low	75 Å²	75	100.5 Å²	100.5	62%	0.62	54%	0.537	S	S	*	.	H	α-helix	trans	-71.6	-36.8	172.8	0	0	0	0	0	111.9	S349 L350 K355	S349-A353 VanDerWaalsContact O-CB 3.26Å; S349-A353 WeakPolarHBondContact O-CB 3.47Å; S349-A353 PolarHBondContact O-N 2.8Å; L350-A353 PolarHBondContact O-N 3.13Å; A353-K355 VanDerWaalsContact C-N 3.26Å; A353-K355 PolarHBondContact O-N 3.43Å
354	N	40.5	Very low	45.5	Very low	86 Å²	86	98.2 Å²	98.2	46%	0.46	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	17.2	-177.8	-89.3	-31.3	0	0	0	115.5	L350 P356 F357 T358	L350-N354 PolarHBondContact O-N 3.08Å; L350-N354 VanDerWaalsContact O-N 3.16Å; N354-P356 VanDerWaalsContact C-CD 3.45Å; N354-F357 HydrophobicContact CB-CB 4.38Å; N354-F357 WeakPolarHBondContact O-CA 3.33Å; N354-F357 WeakPolarHBondContact O-CB 3.4Å; N354-F357 PolarHBondContact O-N 3.39Å; N354-T358 PolarHBondContact O-N 2.91Å; N354-T358 PolarHBondContact O-OG1 3.29Å
355	K	44.7	Very low	45.4	Very low	99 Å²	99	98.2 Å²	98.2	43%	0.43	54%	0.538	S	S	.	.	H	α-helix	trans	-49.3	-42.3	177.1	-77.6	-179.7	179.5	-169.8	0	116.1	Y352 A353 F357 T358 Q359	Y352-K355 VanDerWaalsContact CD1-NZ 3.28Å; Y352-K355 VanDerWaalsContact CE1-NZ 3.29Å; Y352-K355 WeakPolarHBondContact O-CG 3.29Å; A353-K355 VanDerWaalsContact C-N 3.26Å; A353-K355 PolarHBondContact O-N 3.43Å; K355-F357 PolarHBondContact O-N 2.62Å; K355-T358 PolarHBondContact O-OG1 3.4Å; K355-Q359 WeakPolarHBondContact O-CB 3.48Å; K355-Q359 WeakPolarHBondContact O-CG 3.4Å; K355-Q359 PolarHBondContact O-N 3.31Å
356	P	47.7	Very low	45.5	Very low	84 Å²	84	99.3 Å²	99.3	55%	0.545	55%	0.551	S	S	.	*	H	α-helix	trans	-73.5	-12	176.7	30.3	-35.9	0	0	0	113.8	N354 R360	N354-P356 VanDerWaalsContact C-CD 3.45Å; P356-R360 VanDerWaalsContact O-CD 3.29Å; P356-R360 WeakPolarHBondContact O-CD 3.5Å; P356-R360 VanDerWaalsContact O-CG 3.26Å; P356-R360 WeakPolarHBondContact O-CG 3.28Å
357	F	40.8	Very low	45.5	Very low	103 Å²	103	102 Å²	102	45%	0.452	57%	0.57	S	S	.	*	H	α-helix	trans	-90.2	-50.4	176	-169.1	-101.2	0	0	0	110.7	N354 K355 Q359 R360 L361	N354-F357 HydrophobicContact CB-CB 4.38Å; N354-F357 WeakPolarHBondContact O-CA 3.33Å; N354-F357 WeakPolarHBondContact O-CB 3.4Å; N354-F357 PolarHBondContact O-N 3.39Å; K355-F357 PolarHBondContact O-N 2.62Å; F357-Q359 PolarHBondContact O-N 3.41Å; F357-R360 PolarHBondContact O-N 3.46Å; F357-R360 VanDerWaalsContact O-N 3.12Å; F357-L361 HydrophobicContact CE1-CD1 4.33Å; F357-L361 HydrophobicContact CZ-CD1 4.38Å; F357-L361 PolarHBondContact O-N 3.35Å
358	T	48.8	Very low	45.2	Very low	70 Å²	70	100.7 Å²	100.7	43%	0.429	57%	0.573	S	S	.	*	H	α-helix	trans	-65.2	-39.5	179.8	53	0	0	0	0	112.8	N354 K355 R360 L361 F362	N354-T358 PolarHBondContact O-N 2.91Å; N354-T358 PolarHBondContact O-OG1 3.29Å; K355-T358 PolarHBondContact O-OG1 3.4Å; T358-R360 VanDerWaalsContact C-N 3.29Å; T358-R360 PolarHBondContact O-N 3.16Å; T358-L361 PolarHBondContact O-N 2.99Å; T358-F362 PolarHBondContact O-N 2.92Å
359	Q	48.5	Very low	44.4	Very low	142 Å²	142	100.4 Å²	100.4	66%	0.664	58%	0.584	S	S	*	*	H	α-helix	trans	-64	-32.5	173	-74.1	-172.2	-50.6	0	0	112.9	K355 F357 A363	K355-Q359 WeakPolarHBondContact O-CB 3.48Å; K355-Q359 WeakPolarHBondContact O-CG 3.4Å; K355-Q359 PolarHBondContact O-N 3.31Å; F357-Q359 PolarHBondContact O-N 3.41Å; Q359-A363 WeakPolarHBondContact O-CB 3.4Å; Q359-A363 PolarHBondContact O-N 3.17Å
360	R	45.3	Very low	44	Very low	194 Å²	194	108 Å²	108	73%	0.732	60%	0.603	S	S	*	*	H	α-helix	trans	-75.4	-36.2	177.4	-77.4	-179.2	175.9	171.8	-2.4	112.5	P356 F357 T358 A364	P356-R360 VanDerWaalsContact O-CD 3.29Å; P356-R360 WeakPolarHBondContact O-CD 3.5Å; P356-R360 VanDerWaalsContact O-CG 3.26Å; P356-R360 WeakPolarHBondContact O-CG 3.28Å; F357-R360 PolarHBondContact O-N 3.46Å; F357-R360 VanDerWaalsContact O-N 3.12Å; T358-R360 VanDerWaalsContact C-N 3.29Å; T358-R360 PolarHBondContact O-N 3.16Å; R360-A364 VanDerWaalsContact O-CB 3.25Å; R360-A364 WeakPolarHBondContact O-CB 3.49Å; R360-A364 PolarHBondContact O-N 3.38Å
361	L	43.3	Very low	43.5	Very low	111 Å²	111	110.7 Å²	110.7	58%	0.581	61%	0.612	S	S	*	*	H	α-helix	trans	-62.2	-47.6	171	-119.3	71.9	0	0	0	111.3	F357 T358 A363 A364 A365	F357-L361 HydrophobicContact CE1-CD1 4.33Å; F357-L361 HydrophobicContact CZ-CD1 4.38Å; F357-L361 PolarHBondContact O-N 3.35Å; T358-L361 PolarHBondContact O-N 2.99Å; L361-A363 PolarHBondContact O-N 3.17Å; L361-A364 PolarHBondContact O-N 3.25Å; L361-A365 WeakPolarHBondContact O-CB 3.41Å; L361-A365 PolarHBondContact O-N 3.26Å
362	F	43.7	Very low	43.1	Very low	173 Å²	173	110.3 Å²	110.3	76%	0.759	62%	0.622	S	S	*	*	H	α-helix	trans	-66.2	-37.4	178.5	-119.6	-89.6	0	0	0	112.9	T358 A366	T358-F362 PolarHBondContact O-N 2.92Å; F362-A366 WeakPolarHBondContact O-CB 3.42Å; F362-A366 PolarHBondContact O-N 3.09Å
363	A	48.4	Very low	42.5	Very low	60 Å²	60	106.6 Å²	106.6	50%	0.496	63%	0.63	S	S	.	*	H	α-helix	trans	-69.5	-36.4	174.8	0	0	0	0	0	112.7	Q359 L361 A366 A367	Q359-A363 WeakPolarHBondContact O-CB 3.4Å; Q359-A363 PolarHBondContact O-N 3.17Å; L361-A363 PolarHBondContact O-N 3.17Å; A363-A366 PolarHBondContact O-N 3.07Å; A363-A367 WeakPolarHBondContact O-CB 3.49Å; A363-A367 PolarHBondContact O-N 2.91Å
364	A	45.3	Very low	42	Very low	63 Å²	63	111.2 Å²	111.2	52%	0.521	64%	0.644	S	S	.	*	H	α-helix	trans	-67.4	-40.5	173.8	0	0	0	0	0	111.7	R360 L361 A367 A368	R360-A364 VanDerWaalsContact O-CB 3.25Å; R360-A364 WeakPolarHBondContact O-CB 3.49Å; R360-A364 PolarHBondContact O-N 3.38Å; L361-A364 PolarHBondContact O-N 3.25Å; A364-A367 PolarHBondContact O-N 3.28Å; A364-A368 WeakPolarHBondContact O-CB 3.49Å; A364-A368 PolarHBondContact O-N 2.88Å; A364-A368 VanDerWaalsContact O-N 3.17Å
365	A	44.1	Very low	41.5	Very low	64 Å²	64	110.3 Å²	110.3	53%	0.529	66%	0.655	S	S	.	*	H	α-helix	trans	-64.1	-41.1	172.8	0	0	0	0	0	112.2	L361 A367 A368	L361-A365 WeakPolarHBondContact O-CB 3.41Å; L361-A365 PolarHBondContact O-N 3.26Å; A365-A367 VanDerWaalsContact C-N 3.31Å; A365-A367 PolarHBondContact O-N 2.84Å; A365-A368 WeakPolarHBondContact O-CB 3.45Å; A365-A368 PolarHBondContact O-N 3.28Å
366	A	46	Very low	40.8	Very low	85 Å²	85	115.7 Å²	115.7	70%	0.702	68%	0.679	S	S	*	*	H	α-helix	trans	-66.9	-30	175.1	0	0	0	0	0	113.2	F362 A363 A368	F362-A366 WeakPolarHBondContact O-CB 3.42Å; F362-A366 PolarHBondContact O-N 3.09Å; A363-A366 PolarHBondContact O-N 3.07Å; A366-A368 VanDerWaalsContact C-N 3.26Å
367	A	47.3	Very low	40.1	Very low	87 Å²	87	119.2 Å²	119.2	72%	0.719	69%	0.692	S	S	*	*	H	α-helix	trans	-74.6	-14.4	170.9	0	0	0	0	0	113.2	A363 A364 A365 G369	A363-A367 WeakPolarHBondContact O-CB 3.49Å; A363-A367 PolarHBondContact O-N 2.91Å; A364-A367 PolarHBondContact O-N 3.28Å; A365-A367 VanDerWaalsContact C-N 3.31Å; A365-A367 PolarHBondContact O-N 2.84Å; A367-G369 PolarHBondContact O-N 3.44Å
368	A	43	Very low	39.9	Very low	65 Å²	65	120.1 Å²	120.1	54%	0.537	71%	0.708	S	S	.	*	S	Bend	trans	-94.8	38.6	-175.8	0	0	0	0	0	114.2	A364 A365 A366 Y370	A364-A368 WeakPolarHBondContact O-CB 3.49Å; A364-A368 PolarHBondContact O-N 2.88Å; A364-A368 VanDerWaalsContact O-N 3.17Å; A365-A368 WeakPolarHBondContact O-CB 3.45Å; A365-A368 PolarHBondContact O-N 3.28Å; A366-A368 VanDerWaalsContact C-N 3.26Å; A368-Y370 PolarHBondContact O-N 3.25Å; A368-Y370 VanDerWaalsContact O-N 3.16Å
369	G	31.7	Very low	38.8	Very low	65 Å²	65	123.2 Å²	123.2	67%	0.67	72%	0.722	S	S	*	*			trans	74.9	7.4	147.2	0	0	0	0	0	119.9	A367 H371	A367-G369 PolarHBondContact O-N 3.44Å; G369-H371 PolarHBondContact O-N 3.48Å
370	Y	35.9	Very low	38.1	Very low	238 Å²	238	123.1 Å²	123.1	93%	0.933	73%	0.731	S	S	*	*			trans	-84.8	102.3	173.9	-87.7	-86.3	0	0	0	112.2	A368	A368-Y370 PolarHBondContact O-N 3.25Å; A368-Y370 VanDerWaalsContact O-N 3.16Å
371	H	34	Very low	37.4	Very low	178 Å²	178	121.1 Å²	121.1	82%	0.824	74%	0.735	S	S	*	*			trans	-115.8	139	-177.2	-125.2	-74	0	0	0	112.2	G369	G369-H371 PolarHBondContact O-N 3.48Å
372	S	36.2	Very low	37	Very low	121 Å²	121	121.3 Å²	121.3	85%	0.846	74%	0.743	S	S	*	*			trans	112.7	125.6	158.6	-48.9	0	0	0	0	116.6
373	G	33	Very low	36.2	Very low	75 Å²	75	122.1 Å²	122.1	77%	0.773	75%	0.746	S	S	*	*			trans	153.2	83.1	177.4	0	0	0	0	0	113.6
374	N	33.7	Very low	35.2	Very low	172 Å²	172	127.3 Å²	127.3	92%	0.92	77%	0.765	S	S	*	*			trans	-41.6	152.7	-179.4	-49.5	-20	0	0	0	115.7
375	G	30.5	Very low	34.3	Very low	67 Å²	67	127.7 Å²	127.7	69%	0.691	78%	0.775	S	S	*	*			cis	161	158	-3.2	0	0	0	0	0	113.1
376	F	30.4	Very low	33.4	Very low	213 Å²	213	129.8 Å²	129.8	93%	0.934	79%	0.786	S	S	*	*			trans	68.2	119	170.6	-82.2	-92.8	0	0	0	121.7
377	L	32.2	Very low	32.3	Very low	158 Å²	158	133.2 Å²	133.2	83%	0.827	79%	0.792	S	S	*	*			trans	-105.1	158.5	153.2	-63.2	168.3	0	0	0	107.6
378	P	36	Very low	31.3	Very low	121 Å²	121	133.8 Å²	133.8	79%	0.786	79%	0.791	S	S	*	*				-138.9	156.6	75	26.1	-3.9	0	0	0	113.3
379	N	27.2	Very low	30.6	Very low	136 Å²	136	135.7 Å²	135.7	73%	0.727	80%	0.8	S	S	*	*			cis	69	97.8	49.5	-175.4	32	0	0	0	116.4
380	V	33.9	Very low	30.5	Very low	140 Å²	140	139 Å²	139	85%	0.848	80%	0.798	S	S	*	*			trans	-163.5	161.6	134.4	-99.2	0	0	0	0	112.5
381	N	30.1	Very low	30.4	Very low	151 Å²	151	136.2 Å²	136.2	81%	0.807	79%	0.79	S	S	*	*			trans	-66.3	155.5	-169.9	-59.3	-45.7	0	0	0	117
382	P	34.8	Very low	30.2	Very low	116 Å²	116	131 Å²	131	75%	0.753	79%	0.786	S	S	*	*			trans	-103.2	121	161.6	35.2	-26.3	0	0	0	112.9
383	F	26.7	Very low	30	Very low	189 Å²	189	133.4 Å²	133.4	83%	0.829	79%	0.788	S	S	*	*			trans	-160.1	123.9	165.4	-126.1	-86.6	0	0	0	113.1
384	L	27.7	Very low	29.9	Very low	169 Å²	169	135.1 Å²	135.1	89%	0.885	79%	0.788	S	S	*	*			trans	60.5	157.5	169.8	-68.9	161.6	0	0	0	118.2
385	G	25	Very low	30.2	Very low	72 Å²	72	132.3 Å²	132.3	74%	0.742	78%	0.779	S	S	*	*			trans	142	41.6	160.9	0	0	0	0	0	120.3
386	S	25.5	Very low	30.3	Very low	108 Å²	108	136.1 Å²	136.1	76%	0.755	78%	0.784	S	S	*	*			trans	17.6	138	149.6	-58.4	0	0	0	0	123.5
387	L	24.4	Very low	30.4	Very low	157 Å²	157	130.5 Å²	130.5	82%	0.822	77%	0.771	S	S	*	*			trans	80.9	119.8	134	-74.6	167.3	0	0	0	122.5
388	S	25.9	Very low	30.5	Very low	99 Å²	99	128.7 Å²	128.7	69%	0.692	77%	0.766	S	S	*	*				102.1	137.8	127.1	-67.6	0	0	0	0	121.9
389	S	28.7	Very low	30.4	Very low	104 Å²	104	128.6 Å²	128.6	73%	0.727	76%	0.763	S	S	*	*			trans	71.4	139.3	149	-75.9	0	0	0	0	119.5
390	E	29.2	Very low	30.7	Very low	136 Å²	136	130.6 Å²	130.6	64%	0.636	77%	0.77	S	S	*	*			cis	-169.6	169.6	-11.6	-137.1	-173.1	172.7	0	0	112.1
391	K	33.8	Very low	30.4	Very low	178 Å²	178	127.2 Å²	127.2	77%	0.774	76%	0.764	S	S	*	*			trans	68.3	142.9	170.1	-59.7	133.6	-173.7	151.2	0	114.7
392	G	28.6	Very low	30.6	Very low	70 Å²	70	126.4 Å²	126.4	72%	0.722	77%	0.765	S	S	*	*			cis	142.6	152.6	5.1	0	0	0	0	0	108.7
393	L	32.7	Very low	30.6	Very low	170 Å²	170	127.5 Å²	127.5	89%	0.89	77%	0.77	S	S	*	*			cis	-129.3	-178.2	11.7	-90.4	71.3	0	0	0	111.6
394	S	30.6	Very low	30.7	Very low	112 Å²	112	122.3 Å²	122.3	78%	0.783	77%	0.769	S	S	*	*			trans	-117.2	-160.7	-179.9	-49.3	0	0	0	0	110.5
395	P	40.4	Very low	30.9	Very low	112 Å²	112	121.9 Å²	121.9	73%	0.727	77%	0.768	S	S	*	*				-126.1	-133.1	-66.1	36.6	-17.7	0	0	0	112
396	D	31.8	Very low	31.4	Very low	147 Å²	147	124.3 Å²	124.3	79%	0.786	77%	0.771	S	S	*	*			trans	85.2	135.2	171.5	-65.9	-17.2	0	0	0	119.3
397	S	34.1	Very low	31.8	Very low	95 Å²	95	128.1 Å²	128.1	66%	0.664	78%	0.777	S	S	*	*			cis	-165	172.8	-15.4	66.3	0	0	0	0	113.6
398	T	32.8	Very low	32	Very low	120 Å²	120	128.6 Å²	128.6	74%	0.736	77%	0.774	S	S	*	*			trans	80	104.9	140.5	-56.3	0	0	0	0	122
399	V	33.7	Very low	32.2	Very low	119 Å²	119	135.4 Å²	135.4	72%	0.721	79%	0.785	S	S	*	*			trans	92.5	115.5	137	170.6	0	0	0	0	123.1
400	M	33.4	Very low	32.2	Very low	178 Å²	178	134.1 Å²	134.1	88%	0.877	78%	0.776	S	S	*	*			trans	11.3	137.3	143.7	-43.1	-165.4	-62.4	0	0	119.7
401	G	28.4	Very low	32.4	Very low	70 Å²	70	135.9 Å²	135.9	72%	0.722	79%	0.788	S	S	*	*			cis	127.2	131.2	19.3	0	0	0	0	0	111.5
402	T	34	Very low	32.2	Very low	134 Å²	134	133.6 Å²	133.6	82%	0.822	79%	0.785	S	S	*	*			trans	-163.2	151.3	153.5	20.9	0	0	0	0	110.6
403	T	35.6	Very low	32.4	Very low	139 Å²	139	136.5 Å²	136.5	85%	0.853	78%	0.784	S	S	*	*			trans	25.8	117.7	156.7	55.3	0	0	0	0	119.4
404	G	29	Very low	32.6	Very low	79 Å²	79	135.1 Å²	135.1	81%	0.814	78%	0.782	S	S	*	*			trans	-128.3	147.2	169.9	0	0	0	0	0	113.3
405	D	31.8	Very low	33	Very low	160 Å²	160	135.8 Å²	135.8	86%	0.856	77%	0.773	S	S	*	*			trans	-123.9	143.1	165.4	-102	-50.7	0	0	0	108.9	Q407	D405-Q407 PolarHBondContact O-N 2.87Å
406	P	34.9	Very low	32.6	Very low	124 Å²	124	140.9 Å²	140.9	81%	0.805	78%	0.778	S	S	*	*			trans	-87.4	109.2	-166	32.3	-34.5	0	0	0	113.8	H408	P406-H408 PolarHBondContact O-N 2.68Å
407	Q	34.5	Very low	32.5	Very low	188 Å²	188	138.1 Å²	138.1	88%	0.879	78%	0.776	S	S	*	*			trans	-77.9	113.9	167.9	-75.5	-167.8	-16.6	0	0	112.5	D405 W409	D405-Q407 PolarHBondContact O-N 2.87Å; Q407-W409 PolarHBondContact O-N 3.33Å
408	H	28.8	Very low	32.5	Very low	166 Å²	166	140.6 Å²	140.6	77%	0.769	79%	0.786	S	S	*	*			trans	6.7	105.4	146.8	-176.1	-89.9	0	0	0	117.9	P406	P406-H408 PolarHBondContact O-N 2.68Å
409	W	30.1	Very low	32.5	Very low	243 Å²	243	139.9 Å²	139.9	92%	0.92	79%	0.786	S	S	*	*			trans	-96.9	100.3	167.3	46.6	-84	0	0	0	111.2	Q407	Q407-W409 PolarHBondContact O-N 3.33Å
410	S	27	Very low	32.6	Very low	76 Å²	76	140.6 Å²	140.6	53%	0.531	79%	0.793	S	S	.	*			trans	-104.2	133.4	155.5	-175.1	0	0	0	0	107.8
411	L	33.6	Very low	32.7	Very low	173 Å²	173	137 Å²	137	91%	0.906	79%	0.792	S	S	*	*			trans	-111.3	99.2	175.2	-128.7	88.8	0	0	0	110
412	D	30.9	Very low	32.8	Very low	131 Å²	131	142.8 Å²	142.8	70%	0.701	80%	0.8	S	S	*	*			trans	-83.4	170.1	172.6	-102.2	-64.7	0	0	0	112.5
413	N	32.4	Very low	32.7	Very low	131 Å²	131	141.4 Å²	141.4	70%	0.701	80%	0.796	S	S	*	*			trans	69.2	107.5	171.2	-64.1	-67.3	0	0	0	118.1
414	V	36.9	Very low	32.5	Very low	141 Å²	141	141.6 Å²	141.6	86%	0.855	80%	0.797	S	S	*	*				-133	124.5	92.6	-177.5	0	0	0	0	110.8
415	Q	38.4	Very low	32.6	Very low	126 Å²	126	141.6 Å²	141.6	59%	0.589	80%	0.797	S	S	*	*			trans	-17.7	159	156.6	-59.5	166.5	-12.6	0	0	118.1
416	R	32.6	Very low	32.6	Very low	218 Å²	218	138.9 Å²	138.9	82%	0.823	79%	0.791	S	S	*	*			cis	-155.1	162	16.9	-143.2	166.4	-73	167.2	-1.6	111.4
417	A	29.6	Very low	32.4	Very low	90 Å²	90	143.5 Å²	143.5	74%	0.744	79%	0.792	S	S	*	*			trans	-88.4	151.7	-171.2	0	0	0	0	0	115.8
418	V	34.5	Very low	32.2	Very low	146 Å²	146	141.5 Å²	141.5	89%	0.885	79%	0.787	S	S	*	*			trans	-141.4	129.8	149.3	-179.3	0	0	0	0	107.6
419	S	32.5	Very low	32.3	Very low	105 Å²	105	138.1 Å²	138.1	73%	0.734	78%	0.782	S	S	*	*			trans	-116.1	145.6	174	-60.6	0	0	0	0	110.2
420	P	35.3	Very low	32.4	Very low	134 Å²	134	132 Å²	132	87%	0.87	78%	0.776	S	S	*	*			trans	-79.6	149.2	174.7	33.4	-34.2	0	0	0	111.7
421	A	35.5	Very low	32.7	Very low	104 Å²	104	133 Å²	133	86%	0.86	78%	0.784	S	S	*	*			trans	-140	145.2	167.7	0	0	0	0	0	109.3
422	E	30.1	Very low	32.8	Very low	191 Å²	191	133.2 Å²	133.2	89%	0.893	78%	0.78	S	S	*	*			trans	-99.3	178.6	-173.7	-62.2	-174.8	103.2	0	0	113.1
423	S	33.3	Very low	32.9	Very low	104 Å²	104	132.8 Å²	132.8	73%	0.727	78%	0.782	S	S	*	*			trans	89.2	106.6	157.8	75.1	0	0	0	0	120.5
424	T	31.6	Very low	33.2	Very low	143 Å²	143	132.8 Å²	132.8	88%	0.877	79%	0.789	S	S	*	*			trans	68.5	137.7	132.1	59.5	0	0	0	0	122.4
425	G	31	Very low	33.2	Very low	79 Å²	79	133.3 Å²	133.3	81%	0.814	78%	0.782	S	S	*	*			trans	107.1	126.2	161.7	0	0	0	0	0	115.4
426	S	31.6	Very low	33.3	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	80%	0.801	S	S	*	*			cis	169.5	119.6	-32.6	172.2	0	0	0	0	106.4
427	R	31.2	Very low	33.4	Very low	221 Å²	221	133.3 Å²	133.3	83%	0.834	80%	0.799	S	S	*	*			trans	70.8	140.4	157.7	-70.2	177.8	175.3	-174	-2.4	121.8
428	N	29.1	Very low	33.6	Very low	146 Å²	146	132.7 Å²	132.7	78%	0.781	80%	0.801	S	S	*	*			trans	73.2	145.8	148.8	-64.8	8	0	0	0	119
429	S	31.5	Very low	33.6	Very low	95 Å²	95	137.3 Å²	137.3	66%	0.664	80%	0.803	S	S	*	*			cis	-171.7	147.8	-14.2	48.2	0	0	0	0	113.7
430	S	31.1	Very low	33.6	Very low	114 Å²	114	138.5 Å²	138.5	80%	0.797	81%	0.809	S	S	*	*			trans	75	158.5	149.3	-58.5	0	0	0	0	121.4
431	S	35	Very low	33.4	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	81%	0.807	S	S	*	*			trans	66.6	137.1	174.7	-73.9	0	0	0	0	117.8
432	E	35.1	Very low	33.5	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	81%	0.806	S	S	*	*			cis	-155.6	167.1	-9.8	-127.2	157.8	121.3	0	0	111
433	V	33.3	Very low	33.6	Very low	122 Å²	122	135 Å²	135	74%	0.739	80%	0.803	S	S	*	*			trans	-139	136.5	-170.3	172.5	0	0	0	0	112.1	Q435	V433-Q435 HydrophobicContact CG1-CG 4.42Å
434	P	38.9	Very low	34	Very low	131 Å²	131	135.7 Å²	135.7	85%	0.851	81%	0.808	S	S	*	*			trans	-103.6	129.6	149.9	-4.6	24.9	0	0	0	111.3
435	Q	36.4	Very low	34.1	Very low	152 Å²	152	136.4 Å²	136.4	71%	0.71	81%	0.805	S	S	*	*			trans	-83.2	149.3	174.5	-63.5	174.6	-23.9	0	0	111.6	V433	V433-Q435 HydrophobicContact CG1-CG 4.42Å
436	M	40.9	Very low	34.3	Very low	197 Å²	197	136.6 Å²	136.6	97%	0.97	81%	0.807	S	S	*	*			trans	-134.2	142.3	142.7	-71.7	-158.9	175	0	0	110.1
437	N	33.8	Very low	34.7	Very low	146 Å²	146	140.7 Å²	140.7	78%	0.781	81%	0.811	S	S	*	*			trans	-94.2	133.9	-163.5	-75.6	-66.2	0	0	0	113.1
438	G	34.9	Very low	34.9	Very low	77 Å²	77	135.8 Å²	135.8	79%	0.794	81%	0.811	S	S	*	*			trans	-147.3	92.6	169.3	0	0	0	0	0	110.6
439	R	33.3	Very low	35.6	Very low	244 Å²	244	134.1 Å²	134.1	92%	0.921	81%	0.808	S	S	*	*			trans	-75.7	132.7	-179.4	-75.3	178.9	170.8	177.8	-3.2	111.4
440	C	31.9	Very low	36	Very low	129 Å²	129	135.5 Å²	135.5	87%	0.872	81%	0.812	S	S	*	*				-160.7	123.5	117.7	-97.3	0	0	0	0	111.7
441	S	31.4	Very low	36.3	Very low	119 Å²	119	136 Å²	136	83%	0.832	81%	0.813	S	S	*	*			trans	-68.5	161.9	162.1	-47.5	0	0	0	0	109.1
442	S	38.1	Very low	36.7	Very low	117 Å²	117	137.6 Å²	137.6	82%	0.818	82%	0.818	S	S	*	*			cis	-160.3	156.5	36.7	45.4	0	0	0	0	113.7
443	S	32.3	Very low	36.6	Very low	120 Å²	120	133.8 Å²	133.8	84%	0.839	82%	0.817	S	S	*	*			trans	-92.2	156.1	177.3	-29.6	0	0	0	0	111.7
444	S	40.8	Very low	37	Very low	118 Å²	118	134.8 Å²	134.8	83%	0.825	82%	0.823	S	S	*	*			trans	-165.1	133.7	131	47.9	0	0	0	0	111.9
445	I	34.4	Very low	37	Very low	159 Å²	159	134.2 Å²	134.2	82%	0.815	82%	0.822	S	S	*	*			trans	-92.5	116.1	172.8	-66.7	168.3	0	0	0	107.4	K447	I445-K447 PolarHBondContact O-N 2.84Å
446	G	34.2	Very low	37	Very low	83 Å²	83	131.1 Å²	131.1	86%	0.856	83%	0.831	S	S	*	*			trans	-72.8	90.4	-177.7	0	0	0	0	0	113.3
447	K	41.2	Very low	36.8	Very low	189 Å²	189	125.3 Å²	125.3	82%	0.822	82%	0.822	S	S	*	*			trans	-83.8	140.3	159.5	-71.6	-175.1	176.8	-178.4	0	109.7	I445	I445-K447 PolarHBondContact O-N 2.84Å
448	S	35.4	Very low	37.2	Very low	117 Å²	117	124.5 Å²	124.5	82%	0.818	82%	0.822	S	S	*	*			trans	-68.3	141.2	178	-178.3	0	0	0	0	112.6
449	P	43.5	Very low	37.2	Very low	112 Å²	112	130.1 Å²	130.1	73%	0.727	83%	0.825	S	S	*	*			trans	-124.8	143.5	153.2	35.2	-22.4	0	0	0	113.4
450	V	39.6	Very low	37.8	Very low	124 Å²	124	126 Å²	126	75%	0.752	82%	0.82	S	S	*	*			trans	-73.4	142.1	169.6	176.1	0	0	0	0	109.6
451	P	37.5	Very low	38.2	Very low	125 Å²	125	124 Å²	124	81%	0.812	81%	0.813	S	S	*	*			trans	-74.7	127.8	176.7	29.9	-34.5	0	0	0	112
452	V	44.1	Very low	38.9	Very low	131 Å²	131	126.8 Å²	126.8	79%	0.794	81%	0.812	S	S	*	*			trans	-128.4	130.1	163.5	179.3	0	0	0	0	107.6
453	A	33.3	Very low	38.8	Very low	98 Å²	98	125.3 Å²	125.3	81%	0.81	82%	0.815	S	S	*	*			trans	-86	130.2	-174.5	0	0	0	0	0	112.2
454	V	41.5	Very low	39.4	Very low	143 Å²	143	125.9 Å²	125.9	87%	0.867	81%	0.814	S	S	*	*			trans	-137.7	142.2	163	-177	0	0	0	0	108.1
455	S	38	Very low	39.5	Very low	119 Å²	119	130 Å²	130	83%	0.832	82%	0.817	S	S	*	*			trans	-107.8	150.5	-166	-48.6	0	0	0	0	114
456	G	36.1	Very low	39.7	Very low	86 Å²	86	130.8 Å²	130.8	89%	0.887	82%	0.817	S	S	*	*			trans	90.6	135.5	162.3	0	0	0	0	0	115.6
457	G	38.1	Very low	40.3	Very low	76 Å²	76	132.8 Å²	132.8	78%	0.784	82%	0.815	S	S	*	*			trans	171.4	38.2	-176.3	0	0	0	0	0	116.9
458	T	41.8	Very low	40.4	Very low	129 Å²	129	127.8 Å²	127.8	79%	0.791	81%	0.809	S	S	*	*			trans	24.3	116.8	160.5	-45.1	0	0	0	0	120.9
459	F	34.2	Very low	40.9	Very low	194 Å²	194	127.2 Å²	127.2	85%	0.851	81%	0.812	S	S	*	*			trans	-7.3	128.2	151.3	-72.9	-102.4	0	0	0	119
460	I	46.5	Very low	41.3	Very low	158 Å²	158	125.3 Å²	125.3	81%	0.81	81%	0.812	S	S	*	*			trans	-128.8	126.8	133	-62.9	-177.2	0	0	0	107.4
461	A	39.7	Very low	42.3	Very low	88 Å²	88	125 Å²	125	73%	0.727	82%	0.815	S	S	*	*			trans	-98.2	124.4	-178.9	0	0	0	0	0	111.4
462	H	46.5	Very low	43.7	Very low	176 Å²	176	120.9 Å²	120.9	82%	0.815	79%	0.79	S	S	*	*			trans	-119.8	114.4	161.7	-93.2	-83.2	0	0	0	109.2	T464	H462-T464 PolarHBondContact O-N 3.46Å; H462-T464 VanDerWaalsContact O-N 3.15Å
463	G	35.6	Very low	45.6	Very low	86 Å²	86	117.5 Å²	117.5	89%	0.887	77%	0.771	S	S	*	*			trans	-75.8	99.5	-177.4	0	0	0	0	0	112.5
464	T	45.4	Very low	48.1	Very low	133 Å²	133	120.2 Å²	120.2	82%	0.816	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-103.4	140.9	151.9	48.8	0	0	0	0	108.5	H462 E466	H462-T464 PolarHBondContact O-N 3.46Å; H462-T464 VanDerWaalsContact O-N 3.15Å; T464-E466 PolarHBondContact O-N 3.39Å
465	K	42.4	Very low	50.4	Low	204 Å²	204	118.3 Å²	118.3	89%	0.887	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-59.1	129.2	-174.9	-70.1	177	175.5	177.7	0	110.6	P467	K465-P467 WeakPolarHBondContact O-CD 3.14Å
466	E	38.9	Very low	52.9	Low	176 Å²	176	115.3 Å²	115.3	82%	0.822	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-59.6	130.8	160.3	-69.9	-159.9	141.5	0	0	109.4	T464 A468	T464-E466 PolarHBondContact O-N 3.39Å; E466-A468 VanDerWaalsContact C-N 3.33Å; E466-A468 PolarHBondContact O-N 2.86Å
467	P	48	Very low	55.4	Low	124 Å²	124	116.6 Å²	116.6	81%	0.805	71%	0.711	S	S	*	*			trans	-70.7	97.5	157.5	30.1	-29.3	0	0	0	107	K465 A469	K465-P467 WeakPolarHBondContact O-CD 3.14Å; P467-A469 PolarHBondContact O-N 3.16Å
468	A	42.4	Very low	57.9	Low	85 Å²	85	116.4 Å²	116.4	70%	0.702	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.4	133.8	-177.5	0	0	0	0	0	111.6	E466 G470	E466-A468 VanDerWaalsContact C-N 3.33Å; E466-A468 PolarHBondContact O-N 2.86Å; A468-G470 PolarHBondContact O-N 3.03Å
469	A	46.4	Very low	60.3	Low	105 Å²	105	115.1 Å²	115.1	87%	0.868	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-35.9	92.2	-163.3	0	0	0	0	0	114.7	P467 S471	P467-A469 PolarHBondContact O-N 3.16Å; A469-S471 PolarHBondContact O-N 3.41Å
470	G	50.8	Low	63	Low	71 Å²	71	112.4 Å²	112.4	73%	0.732	67%	0.666	S	S	*	*			trans	-63.1	112.2	179.9	0	0	0	0	0	110.2	A468 S472	A468-G470 PolarHBondContact O-N 3.03Å; G470-S472 VanDerWaalsContact C-N 3.33Å; G470-S472 PolarHBondContact O-N 3.45Å
471	S	61.6	Low	65.2	Low	118 Å²	118	106.9 Å²	106.9	83%	0.825	65%	0.648	S	S	*	*			trans	-63.9	91.5	-179.6	56.1	0	0	0	0	110.1	A469 C473	A469-S471 PolarHBondContact O-N 3.41Å; S471-C473 PolarHBondContact O-N 2.71Å
472	S	66.8	Low	67.8	Low	39 Å²	39	109.6 Å²	109.6	27%	0.273	64%	0.639	S	S	.	*			trans	-56.8	122.7	176	59.7	0	0	0	0	108.8	G470 Q477	G470-S472 VanDerWaalsContact C-N 3.33Å; G470-S472 PolarHBondContact O-N 3.45Å; S472-Q477 WeakPolarHBondContact OG-CG 3.4Å; S472-Q477 PolarHBondContact OG-NE2 3.46Å; S472-Q477 VanDerWaalsContact OG-NE2 3.09Å
473	C	83.4	Confident	70.1	Confident	60 Å²	60	104.7 Å²	104.7	41%	0.405	62%	0.622	S	S	.	*			trans	-52.4	155.8	-178.8	75.8	0	0	0	0	112.2	S471 D475 C476 Q477	S471-C473 PolarHBondContact O-N 2.71Å; C473-D475 VanDerWaalsContact C-N 3.26Å; C473-D475 PolarHBondContact O-N 2.94Å; C473-C476 HydrophobicContact CB-CB 4.12Å; C473-C476 WeakPolarHBondContact CB-SG 3.5Å; C473-C476 PolarHBondContact N-SG 2.83Å; C473-C476 VanDerWaalsContact N-SG 3.37Å; C473-C476 CarbonylContact O-C 3.58Å; C473-C476 VanDerWaalsContact O-CA 3.32Å; C473-C476 WeakPolarHBondContact O-CA 3.34Å; C473-C476 WeakPolarHBondContact O-CB 3.32Å; C473-C476 PolarHBondContact O-N 2.87Å; C473-C476 WeakPolarHBondContact SG-CB 3.47Å; C473-C476 PolarHBondContact SG-N 3.17Å; C473-C476 CovalentContact SG-SG 2.06Å; C473-C476 PolarHBondContact SG-SG 3.21Å; C473-Q477 PolarHBondContact O-N 2.89Å
474	F	86.3	Confident	72.9	Confident	154 Å²	154	102.7 Å²	102.7	68%	0.675	60%	0.597	S	S	*	*	H	α-helix	trans	-55.6	-43.8	-179.4	179.1	-99.8	0	0	0	111.6	C476 Q477 L478	F474-C476 VanDerWaalsContact C-N 3.28Å; F474-C476 PolarHBondContact O-N 2.88Å; F474-Q477 PolarHBondContact O-N 3.32Å; F474-Q477 VanDerWaalsContact O-N 3.14Å; F474-L478 WeakPolarHBondContact O-CB 3.27Å; F474-L478 PolarHBondContact O-N 2.8Å
475	D	90.2	Very high	75.3	Confident	104 Å²	104	103.2 Å²	103.2	56%	0.556	59%	0.59	S	S	*	*	H	α-helix	trans	-62.5	-34.2	173.9	-52.5	-70.2	0	0	0	112.6	C473 Q477 L478 M479	C473-D475 VanDerWaalsContact C-N 3.26Å; C473-D475 PolarHBondContact O-N 2.94Å; D475-Q477 VanDerWaalsContact C-N 3.34Å; D475-Q477 PolarHBondContact O-N 3.33Å; D475-L478 PolarHBondContact O-N 2.91Å; D475-M479 VanDerWaalsContact O-CB 3.25Å; D475-M479 WeakPolarHBondContact O-CB 3.25Å; D475-M479 WeakPolarHBondContact O-CG 3.45Å; D475-M479 PolarHBondContact O-N 3.31Å
476	C	89.8	Confident	77.8	Confident	55 Å²	55	95.9 Å²	95.9	37%	0.372	57%	0.567	S	S	.	*	H	α-helix	trans	-65.1	-38.8	176.2	-53.8	0	0	0	0	110.6	C473 F474 K480	C473-C476 HydrophobicContact CB-CB 4.12Å; C473-C476 WeakPolarHBondContact CB-SG 3.5Å; C473-C476 PolarHBondContact N-SG 2.83Å; C473-C476 VanDerWaalsContact N-SG 3.37Å; C473-C476 CarbonylContact O-C 3.58Å; C473-C476 VanDerWaalsContact O-CA 3.32Å; C473-C476 WeakPolarHBondContact O-CA 3.34Å; C473-C476 WeakPolarHBondContact O-CB 3.32Å; C473-C476 PolarHBondContact O-N 2.87Å; C473-C476 WeakPolarHBondContact SG-CB 3.47Å; C473-C476 PolarHBondContact SG-N 3.17Å; C473-C476 CovalentContact SG-SG 2.06Å; C473-C476 PolarHBondContact SG-SG 3.21Å; F474-C476 VanDerWaalsContact C-N 3.28Å; F474-C476 PolarHBondContact O-N 2.88Å; C476-K480 VanDerWaalsContact O-CG 3.27Å; C476-K480 WeakPolarHBondContact O-CG 3.45Å; C476-K480 PolarHBondContact O-N 3.04Å; C476-K480 VanDerWaalsContact O-N 3.09Å
477	Q	88.2	Confident	80.5	Confident	114 Å²	114	92.2 Å²	92.2	53%	0.533	55%	0.55	S	S	.	*	H	α-helix	trans	-72.9	-43.5	174.6	-64.9	-173.1	-12.5	0	0	111.6	S472 C473 F474 D475 M479 K480 G481	S472-Q477 WeakPolarHBondContact OG-CG 3.4Å; S472-Q477 PolarHBondContact OG-NE2 3.46Å; S472-Q477 VanDerWaalsContact OG-NE2 3.09Å; C473-Q477 PolarHBondContact O-N 2.89Å; F474-Q477 PolarHBondContact O-N 3.32Å; F474-Q477 VanDerWaalsContact O-N 3.14Å; D475-Q477 VanDerWaalsContact C-N 3.34Å; D475-Q477 PolarHBondContact O-N 3.33Å; Q477-M479 VanDerWaalsContact C-N 3.33Å; Q477-M479 PolarHBondContact O-N 3.07Å; Q477-K480 WeakPolarHBondContact O-CB 3.46Å; Q477-K480 PolarHBondContact O-N 3.32Å; Q477-G481 PolarHBondContact O-N 3.02Å
478	L	91	Very high	82.8	Confident	71 Å²	71	90.9 Å²	90.9	37%	0.372	54%	0.536	S	S	.	.	H	α-helix	trans	-59.9	-42.1	176	-177.9	62.8	0	0	0	111.9	F474 D475 G481 R482	F474-L478 WeakPolarHBondContact O-CB 3.27Å; F474-L478 PolarHBondContact O-N 2.8Å; D475-L478 PolarHBondContact O-N 2.91Å; L478-G481 PolarHBondContact O-N 2.96Å; L478-R482 WeakPolarHBondContact O-CG 3.33Å; L478-R482 PolarHBondContact O-N 2.82Å
479	M	91.5	Very high	85.3	Confident	103 Å²	103	95.5 Å²	95.5	51%	0.507	54%	0.535	S	S	.	.	H	α-helix	trans	-70.8	-37.8	176.7	-70.1	-63.6	-73.4	0	0	112.1	D475 Q477 G481 R482 V483	D475-M479 VanDerWaalsContact O-CB 3.25Å; D475-M479 WeakPolarHBondContact O-CB 3.25Å; D475-M479 WeakPolarHBondContact O-CG 3.45Å; D475-M479 PolarHBondContact O-N 3.31Å; Q477-M479 VanDerWaalsContact C-N 3.33Å; Q477-M479 PolarHBondContact O-N 3.07Å; M479-G481 VanDerWaalsContact C-N 3.31Å; M479-G481 PolarHBondContact O-N 3.15Å; M479-R482 PolarHBondContact O-N 2.77Å; M479-V483 WeakPolarHBondContact O-CG2 3.34Å; M479-V483 PolarHBondContact O-N 2.74Å
480	K	92.2	Very high	87.7	Confident	137 Å²	137	93.5 Å²	93.5	60%	0.596	51%	0.514	S	S	*	.	H	α-helix	trans	-57.8	-43.6	168.6	-77.4	175.2	-178.6	-174.8	0	111.7	C476 Q477 V483 A484	C476-K480 VanDerWaalsContact O-CG 3.27Å; C476-K480 WeakPolarHBondContact O-CG 3.45Å; C476-K480 PolarHBondContact O-N 3.04Å; C476-K480 VanDerWaalsContact O-N 3.09Å; Q477-K480 WeakPolarHBondContact O-CB 3.46Å; Q477-K480 PolarHBondContact O-N 3.32Å; K480-V483 PolarHBondContact O-N 3.46Å; K480-A484 WeakPolarHBondContact O-CB 3.37Å; K480-A484 PolarHBondContact O-N 3.18Å
481	G	92.8	Very high	89.8	Confident	42 Å²	42	97.4 Å²	97.4	43%	0.433	51%	0.507	S	S	.	.	H	α-helix	trans	-61.4	-44	175.4	0	0	0	0	0	113	Q477 L478 M479 A484 Q485	Q477-G481 PolarHBondContact O-N 3.02Å; L478-G481 PolarHBondContact O-N 2.96Å; M479-G481 VanDerWaalsContact C-N 3.31Å; M479-G481 PolarHBondContact O-N 3.15Å; G481-A484 PolarHBondContact O-N 3.13Å; G481-Q485 WeakPolarHBondContact O-CB 3.48Å; G481-Q485 PolarHBondContact O-N 2.85Å
482	R	94	Very high	91.5	Very high	144 Å²	144	98.1 Å²	98.1	54%	0.543	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-39	175	-72.4	172.4	177.4	179.7	0.2	112.7	L478 M479 Q485 A486	L478-R482 WeakPolarHBondContact O-CG 3.33Å; L478-R482 PolarHBondContact O-N 2.82Å; M479-R482 PolarHBondContact O-N 2.77Å; R482-Q485 PolarHBondContact O-N 3.37Å; R482-A486 WeakPolarHBondContact O-CB 3.32Å; R482-A486 PolarHBondContact O-N 2.92Å
483	V	94.3	Very high	92.9	Very high	74 Å²	74	100.2 Å²	100.2	45%	0.448	50%	0.503	S	S	.	.	H	α-helix	trans	-65.4	-49	175.2	169.5	0	0	0	0	110.6	M479 K480 Q485 A486 E487	M479-V483 WeakPolarHBondContact O-CG2 3.34Å; M479-V483 PolarHBondContact O-N 2.74Å; K480-V483 PolarHBondContact O-N 3.46Å; V483-Q485 VanDerWaalsContact C-N 3.28Å; V483-Q485 PolarHBondContact O-N 2.99Å; V483-A486 CarbonylContact O-C 3.58Å; V483-A486 WeakPolarHBondContact O-CA 3.32Å; V483-A486 WeakPolarHBondContact O-CB 3.35Å; V483-A486 PolarHBondContact O-N 3.1Å; V483-E487 HydrophobicContact CG1-CG 4.38Å; V483-E487 WeakPolarHBondContact CG1-OE1 3.31Å; V483-E487 WeakPolarHBondContact O-CG 3.34Å; V483-E487 PolarHBondContact O-N 2.79Å
484	A	94.9	Very high	93.5	Very high	43 Å²	43	102.8 Å²	102.8	36%	0.355	51%	0.509	S	S	.	.	H	α-helix	trans	-60.3	-36.6	176.1	0	0	0	0	0	112.7	K480 G481 N488	K480-A484 WeakPolarHBondContact O-CB 3.37Å; K480-A484 PolarHBondContact O-N 3.18Å; G481-A484 PolarHBondContact O-N 3.13Å; A484-N488 WeakPolarHBondContact O-CB 3.44Å; A484-N488 PolarHBondContact O-N 3.5Å; A484-N488 PolarHBondContact O-ND2 2.97Å
485	Q	94.9	Very high	93.9	Very high	145 Å²	145	99.1 Å²	99.1	68%	0.678	50%	0.503	S	S	*	.	H	α-helix	trans	-66	-38.3	173	-168.1	-178.4	31.7	0	0	112.2	G481 R482 V483 R489	G481-Q485 WeakPolarHBondContact O-CB 3.48Å; G481-Q485 PolarHBondContact O-N 2.85Å; R482-Q485 PolarHBondContact O-N 3.37Å; V483-Q485 VanDerWaalsContact C-N 3.28Å; V483-Q485 PolarHBondContact O-N 2.99Å; Q485-R489 WeakPolarHBondContact O-CB 3.27Å; Q485-R489 PolarHBondContact O-N 3.27Å; Q485-R489 VanDerWaalsContact O-N 3.11Å
486	A	94.9	Very high	94.2	Very high	50 Å²	50	99.5 Å²	99.5	41%	0.413	50%	0.5	S	S	.	.	H	α-helix	trans	-68	-44.9	175.1	0	0	0	0	0	111.9	R482 V483 N488 R489 C490	R482-A486 WeakPolarHBondContact O-CB 3.32Å; R482-A486 PolarHBondContact O-N 2.92Å; V483-A486 CarbonylContact O-C 3.58Å; V483-A486 WeakPolarHBondContact O-CA 3.32Å; V483-A486 WeakPolarHBondContact O-CB 3.35Å; V483-A486 PolarHBondContact O-N 3.1Å; A486-N488 PolarHBondContact O-N 3.17Å; A486-R489 CarbonylContact O-C 3.56Å; A486-R489 WeakPolarHBondContact O-CA 3.29Å; A486-R489 WeakPolarHBondContact O-CB 3.35Å; A486-R489 PolarHBondContact O-N 3.49Å; A486-R489 VanDerWaalsContact O-N 3.11Å; A486-C490 PolarHBondContact O-N 3.45Å; A486-C490 PolarHBondContact O-SG 3.48Å; A486-C490 VanDerWaalsContact O-SG 3.33Å
487	E	95.6	Very high	94.5	Very high	98 Å²	98	98.9 Å²	98.9	46%	0.458	49%	0.494	S	S	.	.	H	α-helix	trans	-58.7	-46.5	175.8	-72.6	175.5	-169.2	0	0	112.1	V483 R489 C490 R491	V483-E487 HydrophobicContact CG1-CG 4.38Å; V483-E487 WeakPolarHBondContact CG1-OE1 3.31Å; V483-E487 WeakPolarHBondContact O-CG 3.34Å; V483-E487 PolarHBondContact O-N 2.79Å; E487-R489 VanDerWaalsContact C-N 3.27Å; E487-R489 PolarHBondContact O-N 3Å; E487-C490 WeakPolarHBondContact O-CB 3.26Å; E487-C490 PolarHBondContact O-N 2.93Å; E487-C490 VanDerWaalsContact O-N 3.17Å; E487-R491 WeakPolarHBondContact O-CG 3.31Å; E487-R491 PolarHBondContact O-N 2.92Å
488	N	96.5	Very high	94.8	Very high	97 Å²	97	97.4 Å²	97.4	52%	0.519	49%	0.493	S	S	.	.	H	α-helix	trans	-62.1	-35.7	175.3	-74.8	-31.5	0	0	0	112	A484 A486 F492	A484-N488 WeakPolarHBondContact O-CB 3.44Å; A484-N488 PolarHBondContact O-N 3.5Å; A484-N488 PolarHBondContact O-ND2 2.97Å; A486-N488 PolarHBondContact O-N 3.17Å; N488-F492 PolarHBondContact O-N 3.5Å; N488-F492 VanDerWaalsContact O-N 3.12Å
489	R	96.3	Very high	95	Very high	181 Å²	181	97.1 Å²	97.1	68%	0.683	50%	0.497	S	S	*	.	H	α-helix	trans	-69.1	-37.8	173.8	-171.3	179.3	-178.7	113.8	1.7	112.2	Q485 A486 E487 L493	Q485-R489 WeakPolarHBondContact O-CB 3.27Å; Q485-R489 PolarHBondContact O-N 3.27Å; Q485-R489 VanDerWaalsContact O-N 3.11Å; A486-R489 CarbonylContact O-C 3.56Å; A486-R489 WeakPolarHBondContact O-CA 3.29Å; A486-R489 WeakPolarHBondContact O-CB 3.35Å; A486-R489 PolarHBondContact O-N 3.49Å; A486-R489 VanDerWaalsContact O-N 3.11Å; E487-R489 VanDerWaalsContact C-N 3.27Å; E487-R489 PolarHBondContact O-N 3Å; R489-L493 HydrophobicContact CG-CD1 4.33Å; R489-L493 VanDerWaalsContact O-CG 3.31Å; R489-L493 WeakPolarHBondContact O-CG 3.37Å; R489-L493 PolarHBondContact O-N 2.87Å; R489-L493 VanDerWaalsContact O-N 3.1Å
490	C	95.8	Very high	95.1	Very high	63 Å²	63	97.4 Å²	97.4	43%	0.426	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-51.1	173.8	-68.1	0	0	0	0	110.9	A486 E487 F492 L493 E494	A486-C490 PolarHBondContact O-N 3.45Å; A486-C490 PolarHBondContact O-SG 3.48Å; A486-C490 VanDerWaalsContact O-SG 3.33Å; E487-C490 WeakPolarHBondContact O-CB 3.26Å; E487-C490 PolarHBondContact O-N 2.93Å; E487-C490 VanDerWaalsContact O-N 3.17Å; C490-F492 VanDerWaalsContact C-N 3.29Å; C490-F492 PolarHBondContact O-N 3.37Å; C490-L493 CarbonylContact O-C 3.53Å; C490-L493 WeakPolarHBondContact O-CA 3.47Å; C490-L493 WeakPolarHBondContact O-CB 3.43Å; C490-L493 PolarHBondContact O-N 3.1Å; C490-E494 WeakPolarHBondContact O-CG 3.46Å; C490-E494 PolarHBondContact O-N 3.32Å
491	R	95.9	Very high	95.3	Very high	154 Å²	154	96 Å²	96	58%	0.581	49%	0.493	S	S	*	.	H	α-helix	trans	-56	-40	177	-69.3	176.4	-176	170	4.4	113.3	E487 E494 S495	E487-R491 WeakPolarHBondContact O-CG 3.31Å; E487-R491 PolarHBondContact O-N 2.92Å; R491-E494 WeakPolarHBondContact CA-OE2 3.37Å; R491-E494 PolarHBondContact O-N 3.47Å; R491-S495 WeakPolarHBondContact O-CB 3.49Å; R491-S495 PolarHBondContact O-N 3.4Å
492	F	96.7	Very high	95.4	Very high	133 Å²	133	96.3 Å²	96.3	58%	0.583	49%	0.488	S	S	*	.	H	α-helix	trans	-64.1	-41	173.8	176.7	-98.6	0	0	0	112.6	N488 C490 K496	N488-F492 PolarHBondContact O-N 3.5Å; N488-F492 VanDerWaalsContact O-N 3.12Å; C490-F492 VanDerWaalsContact C-N 3.29Å; C490-F492 PolarHBondContact O-N 3.37Å; F492-K496 WeakPolarHBondContact O-CB 3.4Å; F492-K496 PolarHBondContact O-N 3.28Å
493	L	95.7	Very high	95.5	Very high	82 Å²	82	94.2 Å²	94.2	43%	0.429	48%	0.483	S	S	.	.	H	α-helix	trans	-71.1	-35.9	176.7	-68.8	170.9	0	0	0	112.4	R489 C490 K496 T497	R489-L493 HydrophobicContact CG-CD1 4.33Å; R489-L493 VanDerWaalsContact O-CG 3.31Å; R489-L493 WeakPolarHBondContact O-CG 3.37Å; R489-L493 PolarHBondContact O-N 2.87Å; R489-L493 VanDerWaalsContact O-N 3.1Å; C490-L493 CarbonylContact O-C 3.53Å; C490-L493 WeakPolarHBondContact O-CA 3.47Å; C490-L493 WeakPolarHBondContact O-CB 3.43Å; C490-L493 PolarHBondContact O-N 3.1Å; L493-K496 PolarHBondContact O-N 2.67Å; L493-T497 WeakPolarHBondContact O-CB 3.39Å; L493-T497 PolarHBondContact O-N 3.21Å; L493-T497 PolarHBondContact O-OG1 2.95Å
494	E	95.7	Very high	95.6	Very high	115 Å²	115	94.9 Å²	94.9	54%	0.537	48%	0.483	S	S	.	.	H	α-helix	trans	-63.2	-46.7	173	-70.8	154.3	-161.5	0	0	111.2	C490 R491 K496 T497 T498	C490-E494 WeakPolarHBondContact O-CG 3.46Å; C490-E494 PolarHBondContact O-N 3.32Å; R491-E494 WeakPolarHBondContact CA-OE2 3.37Å; R491-E494 PolarHBondContact O-N 3.47Å; E494-K496 VanDerWaalsContact C-N 3.34Å; E494-K496 PolarHBondContact O-N 2.92Å; E494-T497 PolarHBondContact O-N 3.36Å; E494-T498 PolarHBondContact O-N 2.95Å; E494-T498 PolarHBondContact O-OG1 2.96Å
495	S	95.5	Very high	95.6	Very high	77 Å²	77	95.9 Å²	95.9	54%	0.538	49%	0.487	S	S	.	.	H	α-helix	trans	-61.1	-40.6	173.4	179.2	0	0	0	0	112.3	R491 T498 S499	R491-S495 WeakPolarHBondContact O-CB 3.49Å; R491-S495 PolarHBondContact O-N 3.4Å; S495-T498 WeakPolarHBondContact CA-OG1 3.39Å; S495-T498 PolarHBondContact O-OG1 2.96Å; S495-T498 VanDerWaalsContact O-OG1 3.08Å; S495-S499 VanDerWaalsContact O-CB 3.31Å; S495-S499 WeakPolarHBondContact O-CB 3.39Å; S495-S499 PolarHBondContact O-N 2.94Å
496	K	96.3	Very high	95.7	Very high	112 Å²	112	96.2 Å²	96.2	49%	0.487	48%	0.483	S	S	.	.	H	α-helix	trans	-68.3	-36.6	175	-171.6	166.5	-176.4	168.5	0	112.6	F492 L493 E494 Q500	F492-K496 WeakPolarHBondContact O-CB 3.4Å; F492-K496 PolarHBondContact O-N 3.28Å; L493-K496 PolarHBondContact O-N 2.67Å; E494-K496 VanDerWaalsContact C-N 3.34Å; E494-K496 PolarHBondContact O-N 2.92Å; K496-Q500 WeakPolarHBondContact O-CG 3.37Å; K496-Q500 PolarHBondContact O-N 2.82Å
497	T	96	Very high	95.7	Very high	42 Å²	42	98.9 Å²	98.9	26%	0.258	49%	0.489	S	S	.	.	H	α-helix	trans	-68	-50.6	179.3	-55.4	0	0	0	0	110.5	L493 E494 S499 Q500 E501	L493-T497 WeakPolarHBondContact O-CB 3.39Å; L493-T497 PolarHBondContact O-N 3.21Å; L493-T497 PolarHBondContact O-OG1 2.95Å; E494-T497 PolarHBondContact O-N 3.36Å; T497-S499 VanDerWaalsContact C-N 3.3Å; T497-S499 PolarHBondContact O-N 3.11Å; T497-Q500 CarbonylContact O-C 3.54Å; T497-Q500 WeakPolarHBondContact O-CA 3.49Å; T497-Q500 WeakPolarHBondContact O-CB 3.33Å; T497-Q500 PolarHBondContact O-N 3.47Å; T497-E501 HydrophobicContact CG2-CG 4.46Å; T497-E501 WeakPolarHBondContact O-CG 3.49Å; T497-E501 PolarHBondContact O-N 3.21Å
498	T	94.9	Very high	95.8	Very high	82 Å²	82	99.8 Å²	99.8	50%	0.503	49%	0.494	S	S	.	.	H	α-helix	trans	-60.5	-36.6	175.7	48.9	0	0	0	0	112.9	E494 S495 E501 S502	E494-T498 PolarHBondContact O-N 2.95Å; E494-T498 PolarHBondContact O-OG1 2.96Å; S495-T498 WeakPolarHBondContact CA-OG1 3.39Å; S495-T498 PolarHBondContact O-OG1 2.96Å; S495-T498 VanDerWaalsContact O-OG1 3.08Å; T498-E501 WeakPolarHBondContact CA-OE2 3.35Å; T498-E501 PolarHBondContact O-N 2.91Å; T498-S502 PolarHBondContact O-N 2.68Å
499	S	95.2	Very high	95.8	Very high	66 Å²	66	99.5 Å²	99.5	46%	0.462	50%	0.495	S	S	.	.	H	α-helix	trans	-60.9	-44.2	169.8	-177.2	0	0	0	0	112.2	S495 T497 S502 K503	S495-S499 VanDerWaalsContact O-CB 3.31Å; S495-S499 WeakPolarHBondContact O-CB 3.39Å; S495-S499 PolarHBondContact O-N 2.94Å; T497-S499 VanDerWaalsContact C-N 3.3Å; T497-S499 PolarHBondContact O-N 3.11Å; S499-S502 PolarHBondContact O-N 3.44Å; S499-S502 PolarHBondContact O-OG 3.08Å; S499-K503 PolarHBondContact O-N 3.07Å; S499-K503 VanDerWaalsContact O-N 3.16Å
500	Q	93.8	Very high	95.7	Very high	108 Å²	108	99 Å²	99	51%	0.505	49%	0.493	S	S	.	.	H	α-helix	trans	-68.5	-39.9	176.6	-73.3	-176.8	-55.2	0	0	113.1	K496 T497 S502 K503 I504	K496-Q500 WeakPolarHBondContact O-CG 3.37Å; K496-Q500 PolarHBondContact O-N 2.82Å; T497-Q500 CarbonylContact O-C 3.54Å; T497-Q500 WeakPolarHBondContact O-CA 3.49Å; T497-Q500 WeakPolarHBondContact O-CB 3.33Å; T497-Q500 PolarHBondContact O-N 3.47Å; Q500-S502 VanDerWaalsContact C-N 3.28Å; Q500-S502 PolarHBondContact O-N 2.88Å; Q500-K503 WeakPolarHBondContact O-CA 3.3Å; Q500-K503 WeakPolarHBondContact O-CB 3.49Å; Q500-K503 PolarHBondContact O-N 2.81Å; Q500-I504 WeakPolarHBondContact O-CG1 3.45Å; Q500-I504 PolarHBondContact O-N 2.98Å
501	E	95.4	Very high	95.7	Very high	109 Å²	109	99.8 Å²	99.8	51%	0.509	49%	0.493	S	S	.	.	H	α-helix	trans	-57.2	-42.5	172.7	-71	165.9	169.2	0	0	111	T497 T498 K503 I504 S505	T497-E501 HydrophobicContact CG2-CG 4.46Å; T497-E501 WeakPolarHBondContact O-CG 3.49Å; T497-E501 PolarHBondContact O-N 3.21Å; T498-E501 WeakPolarHBondContact CA-OE2 3.35Å; T498-E501 PolarHBondContact O-N 2.91Å; E501-K503 VanDerWaalsContact C-N 3.33Å; E501-K503 PolarHBondContact O-N 3.49Å; E501-I504 PolarHBondContact O-N 3.01Å; E501-S505 PolarHBondContact O-N 3.39Å
502	S	95.4	Very high	95.7	Very high	48 Å²	48	94.1 Å²	94.1	34%	0.336	48%	0.482	S	S	.	.	H	α-helix	trans	-65.5	-31.4	174.4	86.3	0	0	0	0	113.4	T498 S499 Q500 R506	T498-S502 PolarHBondContact O-N 2.68Å; S499-S502 PolarHBondContact O-N 3.44Å; S499-S502 PolarHBondContact O-OG 3.08Å; Q500-S502 VanDerWaalsContact C-N 3.28Å; Q500-S502 PolarHBondContact O-N 2.88Å; S502-R506 WeakPolarHBondContact O-CG 3.26Å; S502-R506 PolarHBondContact O-NE 2.94Å; S502-R506 PolarHBondContact OG-NH2 3.01Å
503	K	96	Very high	95.7	Very high	99 Å²	99	91.7 Å²	91.7	43%	0.43	48%	0.478	S	S	.	.	H	α-helix	trans	-71.1	-40	171.7	-77.7	-163.2	175.5	-169.8	0	110.3	E232 S499 Q500 E501 R506 L507	E232-K503 IonicContact OE1-NZ 2.74Å; E232-K503 PolarHBondContact OE1-NZ 3.42Å; E232-K503 IonicContact OE2-NZ 2.77Å; S499-K503 PolarHBondContact O-N 3.07Å; S499-K503 VanDerWaalsContact O-N 3.16Å; Q500-K503 WeakPolarHBondContact O-CA 3.3Å; Q500-K503 WeakPolarHBondContact O-CB 3.49Å; Q500-K503 PolarHBondContact O-N 2.81Å; E501-K503 VanDerWaalsContact C-N 3.33Å; E501-K503 PolarHBondContact O-N 3.49Å; K503-R506 PolarHBondContact O-N 3.34Å; K503-L507 WeakPolarHBondContact O-CG 3.2Å; K503-L507 PolarHBondContact O-N 3.13Å
504	I	96.3	Very high	95.6	Very high	88 Å²	88	92.8 Å²	92.8	45%	0.451	48%	0.484	S	S	.	.	H	α-helix	trans	-62.5	-51.5	178.6	-69.9	164.2	0	0	0	111.1	Q500 E501 R506 L507 E508	Q500-I504 WeakPolarHBondContact O-CG1 3.45Å; Q500-I504 PolarHBondContact O-N 2.98Å; E501-I504 PolarHBondContact O-N 3.01Å; I504-R506 VanDerWaalsContact C-N 3.26Å; I504-R506 PolarHBondContact O-N 3.4Å; I504-L507 CarbonylContact O-C 3.53Å; I504-L507 WeakPolarHBondContact O-CA 3.38Å; I504-L507 WeakPolarHBondContact O-CB 3.47Å; I504-L507 PolarHBondContact O-N 3.16Å; I504-E508 HydrophobicContact CG2-CG 4.14Å; I504-E508 WeakPolarHBondContact CG2-OE1 3.39Å; I504-E508 WeakPolarHBondContact O-CG 3.4Å; I504-E508 PolarHBondContact O-N 2.97Å
505	S	95.7	Very high	95.5	Very high	64 Å²	64	91.7 Å²	91.7	45%	0.448	48%	0.479	S	S	.	.	H	α-helix	trans	-59.5	-34.3	-179.8	-176.8	0	0	0	0	113.4	E501 L507 E508 T509	E501-S505 PolarHBondContact O-N 3.39Å; S505-L507 VanDerWaalsContact C-N 3.34Å; S505-E508 WeakPolarHBondContact CA-OE2 3.46Å; S505-T509 WeakPolarHBondContact O-CG2 3.34Å; S505-T509 PolarHBondContact O-N 2.58Å; S505-T509 VanDerWaalsContact O-N 3.11Å; S505-T509 PolarHBondContact O-OG1 2.93Å
506	R	96	Very high	95.5	Very high	153 Å²	153	89.9 Å²	89.9	58%	0.577	47%	0.468	S	S	*	.	H	α-helix	trans	-71.2	-24.6	172.8	-76.9	179.2	-77.4	-172.3	-5	113.8	S502 K503 I504 T509 R510	S502-R506 WeakPolarHBondContact O-CG 3.26Å; S502-R506 PolarHBondContact O-NE 2.94Å; S502-R506 PolarHBondContact OG-NH2 3.01Å; K503-R506 PolarHBondContact O-N 3.34Å; I504-R506 VanDerWaalsContact C-N 3.26Å; I504-R506 PolarHBondContact O-N 3.4Å; R506-T509 WeakPolarHBondContact CA-OG1 3.39Å; R506-T509 PolarHBondContact O-OG1 2.89Å; R506-R510 WeakPolarHBondContact O-CB 3.45Å
507	L	95.9	Very high	95.4	Very high	105 Å²	105	88.1 Å²	88.1	55%	0.55	46%	0.464	S	S	.	.	H	α-helix	trans	-82.7	-39.7	172.3	-69	171.5	0	0	0	111.6	K503 I504 S505 R510 I511	K503-L507 WeakPolarHBondContact O-CG 3.2Å; K503-L507 PolarHBondContact O-N 3.13Å; I504-L507 CarbonylContact O-C 3.53Å; I504-L507 WeakPolarHBondContact O-CA 3.38Å; I504-L507 WeakPolarHBondContact O-CB 3.47Å; I504-L507 PolarHBondContact O-N 3.16Å; S505-L507 VanDerWaalsContact C-N 3.34Å; L507-R510 CarbonylContact O-C 3.57Å; L507-R510 PolarHBondContact O-N 3.42Å; L507-I511 VanDerWaalsContact O-CG1 3.27Å; L507-I511 WeakPolarHBondContact O-CG1 3.47Å; L507-I511 PolarHBondContact O-N 3.43Å
508	E	96	Very high	95.3	Very high	118 Å²	118	90 Å²	90	55%	0.551	47%	0.473	S	S	*	.	H	α-helix	trans	-61.8	-46	177.5	-69.5	169.8	152.8	0	0	111.9	I504 S505 R510 I511 G512	I504-E508 HydrophobicContact CG2-CG 4.14Å; I504-E508 WeakPolarHBondContact CG2-OE1 3.39Å; I504-E508 WeakPolarHBondContact O-CG 3.4Å; I504-E508 PolarHBondContact O-N 2.97Å; S505-E508 WeakPolarHBondContact CA-OE2 3.46Å; E508-R510 VanDerWaalsContact C-N 3.33Å; E508-R510 PolarHBondContact O-N 3.38Å; E508-I511 PolarHBondContact O-N 3.47Å; E508-G512 PolarHBondContact O-N 3.24Å
509	T	96.7	Very high	95.3	Very high	90 Å²	90	92.7 Å²	92.7	55%	0.552	47%	0.473	S	S	*	.	H	α-helix	trans	-61.9	-37.9	173.4	45.7	0	0	0	0	112.5	S505 R506 G512 T513	S505-T509 WeakPolarHBondContact O-CG2 3.34Å; S505-T509 PolarHBondContact O-N 2.58Å; S505-T509 VanDerWaalsContact O-N 3.11Å; S505-T509 PolarHBondContact O-OG1 2.93Å; R506-T509 WeakPolarHBondContact CA-OG1 3.39Å; R506-T509 PolarHBondContact O-OG1 2.89Å; T509-G512 PolarHBondContact O-N 3.21Å; T509-T513 PolarHBondContact O-N 2.88Å; T509-T513 VanDerWaalsContact O-N 3.16Å; T509-T513 PolarHBondContact O-OG1 2.87Å
510	R	95.7	Very high	95.1	Very high	171 Å²	171	98.1 Å²	98.1	65%	0.645	48%	0.484	S	S	*	.	H	α-helix	trans	-68.6	-35.8	173.5	-171.2	172.5	-178	166	2	112.7	R506 L507 E508 T513 L514	R506-R510 WeakPolarHBondContact O-CB 3.45Å; L507-R510 CarbonylContact O-C 3.57Å; L507-R510 PolarHBondContact O-N 3.42Å; E508-R510 VanDerWaalsContact C-N 3.33Å; E508-R510 PolarHBondContact O-N 3.38Å; R510-T513 PolarHBondContact O-OG1 3.4Å; R510-L514 HydrophobicContact CG-CD1 4.3Å; R510-L514 VanDerWaalsContact O-CG 3.28Å; R510-L514 WeakPolarHBondContact O-CG 3.23Å; R510-L514 PolarHBondContact O-N 3.38Å; R510-L514 VanDerWaalsContact O-N 3.13Å
511	I	95.8	Very high	94.9	Very high	80 Å²	80	99.9 Å²	99.9	41%	0.41	49%	0.487	S	S	.	.	H	α-helix	trans	-65.2	-48.5	173.6	-71.2	161.8	0	0	0	109.7	L507 E508 T513 L514 E515	L507-I511 VanDerWaalsContact O-CG1 3.27Å; L507-I511 WeakPolarHBondContact O-CG1 3.47Å; L507-I511 PolarHBondContact O-N 3.43Å; E508-I511 PolarHBondContact O-N 3.47Å; I511-T513 VanDerWaalsContact C-N 3.31Å; I511-T513 PolarHBondContact O-N 3.37Å; I511-L514 PolarHBondContact O-N 2.89Å; I511-L514 VanDerWaalsContact O-N 3.08Å; I511-E515 HydrophobicContact CG2-CG 4.26Å; I511-E515 WeakPolarHBondContact O-CG 3.49Å; I511-E515 PolarHBondContact O-N 2.89Å
512	G	95.5	Very high	94.7	Very high	34 Å²	34	99.6 Å²	99.6	35%	0.351	49%	0.486	S	S	.	.	H	α-helix	trans	-57.9	-38.5	179.1	0	0	0	0	0	114	E508 T509 A516	E508-G512 PolarHBondContact O-N 3.24Å; T509-G512 PolarHBondContact O-N 3.21Å; G512-A516 WeakPolarHBondContact O-CB 3.42Å; G512-A516 PolarHBondContact O-N 3.06Å
513	T	95.8	Very high	94.6	Very high	83 Å²	83	100.6 Å²	100.6	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-70.6	-39	174.1	50.6	0	0	0	0	113	T509 R510 I511 A516 N517	T509-T513 PolarHBondContact O-N 2.88Å; T509-T513 VanDerWaalsContact O-N 3.16Å; T509-T513 PolarHBondContact O-OG1 2.87Å; R510-T513 PolarHBondContact O-OG1 3.4Å; I511-T513 VanDerWaalsContact C-N 3.31Å; I511-T513 PolarHBondContact O-N 3.37Å; T513-A516 PolarHBondContact O-N 2.75Å; T513-N517 PolarHBondContact O-N 3.19Å; T513-N517 PolarHBondContact O-ND2 2.82Å
514	L	93.4	Very high	94.3	Very high	104 Å²	104	100.8 Å²	100.8	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-65.7	-39.7	174.6	-72.8	170.7	0	0	0	112.2	R510 I511 N517 N518	R510-L514 HydrophobicContact CG-CD1 4.3Å; R510-L514 VanDerWaalsContact O-CG 3.28Å; R510-L514 WeakPolarHBondContact O-CG 3.23Å; R510-L514 PolarHBondContact O-N 3.38Å; R510-L514 VanDerWaalsContact O-N 3.13Å; I511-L514 PolarHBondContact O-N 2.89Å; I511-L514 VanDerWaalsContact O-N 3.08Å; L514-N517 PolarHBondContact O-N 3.46Å; L514-N518 WeakPolarHBondContact O-CB 3.4Å; L514-N518 PolarHBondContact O-N 3.23Å
515	E	95.1	Very high	93.8	Very high	93 Å²	93	100.4 Å²	100.4	44%	0.435	50%	0.497	S	S	.	.	H	α-helix	trans	-65.4	-41.6	173.7	-72.1	-175.8	-169.6	0	0	112.6	I511 N517 N518 R519	I511-E515 HydrophobicContact CG2-CG 4.26Å; I511-E515 WeakPolarHBondContact O-CG 3.49Å; I511-E515 PolarHBondContact O-N 2.89Å; E515-N517 VanDerWaalsContact C-N 3.29Å; E515-N517 PolarHBondContact O-N 3.36Å; E515-N518 PolarHBondContact O-N 2.96Å; E515-R519 WeakPolarHBondContact O-CG 3.38Å; E515-R519 PolarHBondContact O-N 3.16Å; E515-R519 IonicContact OE2-NH1 3.35Å; E515-R519 PolarHBondContact OE2-NH1 2.9Å; E515-R519 VanDerWaalsContact OE2-NH1 3.1Å; E515-R519 IonicContact OE2-NH2 3.19Å
516	A	94.4	Very high	93.6	Very high	38 Å²	38	102.8 Å²	102.8	31%	0.314	50%	0.501	S	S	.	.	H	α-helix	trans	-61.5	-39.3	175.8	0	0	0	0	0	111.6	G512 T513 R520	G512-A516 WeakPolarHBondContact O-CB 3.42Å; G512-A516 PolarHBondContact O-N 3.06Å; T513-A516 PolarHBondContact O-N 2.75Å; A516-R520 WeakPolarHBondContact O-CG 3.23Å; A516-R520 PolarHBondContact O-N 3.43Å
517	N	94.8	Very high	93.3	Very high	75 Å²	75	100.6 Å²	100.6	40%	0.401	50%	0.5	S	S	.	.	H	α-helix	trans	-68.5	-40.3	173.3	-70.4	-21.4	0	0	0	112.1	T513 L514 E515 R519 R520 Y521	T513-N517 PolarHBondContact O-N 3.19Å; T513-N517 PolarHBondContact O-ND2 2.82Å; L514-N517 PolarHBondContact O-N 3.46Å; E515-N517 VanDerWaalsContact C-N 3.29Å; E515-N517 PolarHBondContact O-N 3.36Å; N517-R519 PolarHBondContact O-N 2.97Å; N517-R520 WeakPolarHBondContact O-CB 3.38Å; N517-R520 PolarHBondContact O-N 3.46Å; N517-Y521 HydrophobicContact CB-CE2 4.32Å; N517-Y521 WeakPolarHBondContact O-CD2 3.22Å; N517-Y521 PolarHBondContact O-N 2.66Å
518	N	92.7	Very high	92.8	Very high	83 Å²	83	100.4 Å²	100.4	44%	0.444	50%	0.499	S	S	.	.	H	α-helix	trans	-61.5	-44.4	176.3	-169.8	72	0	0	0	111.8	L514 E515 R520 Y521 E522	L514-N518 WeakPolarHBondContact O-CB 3.4Å; L514-N518 PolarHBondContact O-N 3.23Å; E515-N518 PolarHBondContact O-N 2.96Å; N518-R520 VanDerWaalsContact C-N 3.27Å; N518-R520 PolarHBondContact O-N 3.48Å; N518-Y521 PolarHBondContact O-N 2.83Å; N518-E522 PolarHBondContact ND2-OE1 2.88Å; N518-E522 PolarHBondContact ND2-OE2 3.22Å; N518-E522 WeakPolarHBondContact O-CB 3.2Å; N518-E522 WeakPolarHBondContact O-CG 3.43Å; N518-E522 PolarHBondContact O-N 3.35Å
519	R	94.7	Very high	92.3	Very high	137 Å²	137	102.2 Å²	102.2	52%	0.517	50%	0.5	S	S	.	.	H	α-helix	trans	-58.9	-35.7	174.4	-72.5	-176.4	-72.5	-97.3	1.5	112.7	E515 N517 S523	E515-R519 WeakPolarHBondContact O-CG 3.38Å; E515-R519 PolarHBondContact O-N 3.16Å; E515-R519 IonicContact OE2-NH1 3.35Å; E515-R519 PolarHBondContact OE2-NH1 2.9Å; E515-R519 VanDerWaalsContact OE2-NH1 3.1Å; E515-R519 IonicContact OE2-NH2 3.19Å; N517-R519 PolarHBondContact O-N 2.97Å; R519-S523 PolarHBondContact O-N 2.8Å; R519-S523 VanDerWaalsContact O-N 3.14Å
520	R	92.5	Very high	91.9	Very high	180 Å²	180	100.3 Å²	100.3	68%	0.679	49%	0.487	S	S	*	.	H	α-helix	trans	-64.7	-52.2	173	-71.4	177	178.8	-144.4	-0.8	111.4	A516 N517 N518 E522 S523 E524	A516-R520 WeakPolarHBondContact O-CG 3.23Å; A516-R520 PolarHBondContact O-N 3.43Å; N517-R520 WeakPolarHBondContact O-CB 3.38Å; N517-R520 PolarHBondContact O-N 3.46Å; N518-R520 VanDerWaalsContact C-N 3.27Å; N518-R520 PolarHBondContact O-N 3.48Å; R520-E522 VanDerWaalsContact C-N 3.29Å; R520-E522 PolarHBondContact O-N 3.12Å; R520-S523 PolarHBondContact O-N 3.3Å; R520-S523 VanDerWaalsContact O-N 3.14Å; R520-S523 PolarHBondContact O-OG 2.94Å; R520-E524 PolarHBondContact O-N 2.9Å
521	Y	90.1	Very high	91.3	Very high	145 Å²	145	96.4 Å²	96.4	57%	0.569	48%	0.476	S	S	*	.	H	α-helix	trans	-61.3	-36.4	178	-64.6	-53.7	0	0	0	112.7	N517 N518 E524 T525	N517-Y521 HydrophobicContact CB-CE2 4.32Å; N517-Y521 WeakPolarHBondContact O-CD2 3.22Å; N517-Y521 PolarHBondContact O-N 2.66Å; N518-Y521 PolarHBondContact O-N 2.83Å; Y521-E524 PolarHBondContact O-N 3.34Å; Y521-T525 WeakPolarHBondContact O-CG2 3.36Å; Y521-T525 PolarHBondContact O-N 3.38Å; Y521-T525 PolarHBondContact O-OG1 3.5Å
522	E	90.8	Very high	90.7	Very high	104 Å²	104	94.6 Å²	94.6	49%	0.486	47%	0.47	S	S	.	.	H	α-helix	trans	-60.5	-46.4	174	-75.5	168	163.7	0	0	111.1	N518 R520 E524 T525 H526	N518-E522 PolarHBondContact ND2-OE1 2.88Å; N518-E522 PolarHBondContact ND2-OE2 3.22Å; N518-E522 WeakPolarHBondContact O-CB 3.2Å; N518-E522 WeakPolarHBondContact O-CG 3.43Å; N518-E522 PolarHBondContact O-N 3.35Å; R520-E522 VanDerWaalsContact C-N 3.29Å; R520-E522 PolarHBondContact O-N 3.12Å; E522-E524 PolarHBondContact O-N 3.37Å; E522-T525 PolarHBondContact O-N 3.35Å; E522-T525 PolarHBondContact O-OG1 3.16Å; E522-H526 PolarHBondContact O-N 3.43Å
523	S	92.6	Very high	90	Very high	68 Å²	68	95.9 Å²	95.9	48%	0.476	47%	0.469	S	S	.	.	H	α-helix	trans	-63.1	-38.6	175	71.7	0	0	0	0	113.5	R519 R520 H526 L527	R519-S523 PolarHBondContact O-N 2.8Å; R519-S523 VanDerWaalsContact O-N 3.14Å; R520-S523 PolarHBondContact O-N 3.3Å; R520-S523 VanDerWaalsContact O-N 3.14Å; R520-S523 PolarHBondContact O-OG 2.94Å; S523-H526 WeakPolarHBondContact O-CB 3.45Å; S523-H526 PolarHBondContact O-N 2.83Å; S523-L527 PolarHBondContact O-N 2.92Å
524	E	89.8	Confident	89.4	Confident	104 Å²	104	96.8 Å²	96.8	49%	0.486	47%	0.466	S	S	.	.	H	α-helix	trans	-64	-43.1	175.2	-172	-174.8	171.1	0	0	111.3	R520 Y521 E522 H526 L527 L528	R520-E524 PolarHBondContact O-N 2.9Å; Y521-E524 PolarHBondContact O-N 3.34Å; E522-E524 PolarHBondContact O-N 3.37Å; E524-H526 VanDerWaalsContact C-N 3.27Å; E524-H526 PolarHBondContact O-N 2.83Å; E524-L527 PolarHBondContact O-N 3.24Å; E524-L528 HydrophobicContact CG-CD1 4.29Å; E524-L528 WeakPolarHBondContact O-CB 3.48Å; E524-L528 WeakPolarHBondContact O-CG 3.37Å; E524-L528 PolarHBondContact O-N 3.25Å
525	T	86.7	Confident	88.6	Confident	79 Å²	79	94.1 Å²	94.1	49%	0.485	45%	0.452	S	S	.	.	H	α-helix	trans	-70.3	-20.1	175.4	63.4	0	0	0	0	114.1	Y521 E522 R529	Y521-T525 WeakPolarHBondContact O-CG2 3.36Å; Y521-T525 PolarHBondContact O-N 3.38Å; Y521-T525 PolarHBondContact O-OG1 3.5Å; E522-T525 PolarHBondContact O-N 3.35Å; E522-T525 PolarHBondContact O-OG1 3.16Å; T525-R529 PolarHBondContact O-N 3.31Å
526	H	90.5	Very high	88	Confident	115 Å²	115	94.7 Å²	94.7	53%	0.532	45%	0.454	S	S	.	.	H	α-helix	trans	-71.7	-53.5	169.2	-162.8	-61	0	0	0	110.1	E522 S523 E524 L528 R529 D530	E522-H526 PolarHBondContact O-N 3.43Å; S523-H526 WeakPolarHBondContact O-CB 3.45Å; S523-H526 PolarHBondContact O-N 2.83Å; E524-H526 VanDerWaalsContact C-N 3.27Å; E524-H526 PolarHBondContact O-N 2.83Å; H526-L528 VanDerWaalsContact C-N 3.31Å; H526-L528 PolarHBondContact O-N 3.1Å; H526-R529 CarbonylContact O-C 3.57Å; H526-R529 WeakPolarHBondContact O-CA 3.35Å; H526-R529 WeakPolarHBondContact O-CB 3.44Å; H526-R529 PolarHBondContact O-N 2.87Å; H526-D530 IonicContact CE1-OD1 3.1Å; H526-D530 PolarHBondContact CE1-OD1 2.9Å; H526-D530 IonicContact CE1-OD2 3.7Å; H526-D530 PolarHBondContact CE1-OD2 3.35Å; H526-D530 IonicContact CG-OD2 3.98Å; H526-D530 IonicContact ND1-OD1 3.96Å; H526-D530 PolarHBondContact ND1-OD1 3.48Å; H526-D530 IonicContact ND1-OD2 2.68Å; H526-D530 PolarHBondContact ND1-OD2 3.23Å; H526-D530 PolarHBondContact O-N 3.15Å
527	L	90.3	Very high	87.3	Confident	107 Å²	107	100.1 Å²	100.1	56%	0.56	47%	0.467	S	S	*	.	H	α-helix	trans	-56.5	-44.1	177.9	-69.5	168.5	0	0	0	112	S523 E524 R529 D530 H531	S523-L527 PolarHBondContact O-N 2.92Å; E524-L527 PolarHBondContact O-N 3.24Å; L527-R529 VanDerWaalsContact C-N 3.27Å; L527-R529 PolarHBondContact O-N 3.32Å; L527-D530 PolarHBondContact O-N 3.42Å; L527-H531 PolarHBondContact O-CD2 2.88Å; L527-H531 VanDerWaalsContact O-CD2 3.28Å; L527-H531 PolarHBondContact O-N 3.36Å
528	L	85.8	Confident	86.6	Confident	100 Å²	100	102.4 Å²	102.4	52%	0.524	47%	0.47	S	S	.	.	H	α-helix	trans	-62.2	-33.5	175.3	-73	170.8	0	0	0	112.6	E524 H526 C532	E524-L528 HydrophobicContact CG-CD1 4.29Å; E524-L528 WeakPolarHBondContact O-CB 3.48Å; E524-L528 WeakPolarHBondContact O-CG 3.37Å; E524-L528 PolarHBondContact O-N 3.25Å; H526-L528 VanDerWaalsContact C-N 3.31Å; H526-L528 PolarHBondContact O-N 3.1Å; L528-C532 PolarHBondContact O-N 3.12Å; L528-C532 PolarHBondContact O-SG 3.11Å
529	R	85	Confident	85.9	Confident	156 Å²	156	100.4 Å²	100.4	59%	0.589	46%	0.458	S	S	*	.	H	α-helix	trans	-70.5	-47.1	172.9	-168.8	-179.9	-52.9	169.4	12.4	111.2	T525 H526 L527 H531 C532 D533	T525-R529 PolarHBondContact O-N 3.31Å; H526-R529 CarbonylContact O-C 3.57Å; H526-R529 WeakPolarHBondContact O-CA 3.35Å; H526-R529 WeakPolarHBondContact O-CB 3.44Å; H526-R529 PolarHBondContact O-N 2.87Å; L527-R529 VanDerWaalsContact C-N 3.27Å; L527-R529 PolarHBondContact O-N 3.32Å; R529-H531 PolarHBondContact O-N 2.84Å; R529-C532 CarbonylContact O-C 3.57Å; R529-C532 WeakPolarHBondContact O-CA 3.42Å; R529-C532 WeakPolarHBondContact O-CB 3.49Å; R529-C532 PolarHBondContact O-N 3.25Å; R529-D533 PolarHBondContact O-N 3.11Å
530	D	87.6	Confident	85.3	Confident	50 Å²	50	98.6 Å²	98.6	27%	0.267	46%	0.458	S	S	.	.	H	α-helix	trans	-57.4	-34.9	177.2	-58.9	-43.9	0	0	0	111.8	H526 L527 K534	H526-D530 IonicContact CE1-OD1 3.1Å; H526-D530 PolarHBondContact CE1-OD1 2.9Å; H526-D530 IonicContact CE1-OD2 3.7Å; H526-D530 PolarHBondContact CE1-OD2 3.35Å; H526-D530 IonicContact CG-OD2 3.98Å; H526-D530 IonicContact ND1-OD1 3.96Å; H526-D530 PolarHBondContact ND1-OD1 3.48Å; H526-D530 IonicContact ND1-OD2 2.68Å; H526-D530 PolarHBondContact ND1-OD2 3.23Å; H526-D530 PolarHBondContact O-N 3.15Å; L527-D530 PolarHBondContact O-N 3.42Å; D530-K534 WeakPolarHBondContact O-CB 3.31Å; D530-K534 VanDerWaalsContact O-CD 3.25Å; D530-K534 WeakPolarHBondContact O-CD 3.44Å; D530-K534 WeakPolarHBondContact O-CG 3.49Å; D530-K534 PolarHBondContact O-N 3.1Å; D530-K534 VanDerWaalsContact O-N 3.12Å
531	H	84.4	Confident	84.7	Confident	90 Å²	90	94.4 Å²	94.4	42%	0.417	45%	0.446	S	S	.	.	H	α-helix	trans	-71.2	-39.5	172.3	-85.2	-104.7	0	0	0	113.2	L527 R529 K534 L535	L527-H531 PolarHBondContact O-CD2 2.88Å; L527-H531 VanDerWaalsContact O-CD2 3.28Å; L527-H531 PolarHBondContact O-N 3.36Å; R529-H531 PolarHBondContact O-N 2.84Å; H531-K534 PolarHBondContact O-N 3Å; H531-L535 WeakPolarHBondContact O-CB 3.45Å; H531-L535 WeakPolarHBondContact O-CG 3.5Å; H531-L535 PolarHBondContact O-N 2.94Å
532	C	82.1	Confident	84.1	Confident	42 Å²	42	88.7 Å²	88.7	28%	0.284	43%	0.427	S	S	.	.	H	α-helix	trans	-64	-44	173.3	-67.3	0	0	0	0	112	L528 R529 K534 L535 E536	L528-C532 PolarHBondContact O-N 3.12Å; L528-C532 PolarHBondContact O-SG 3.11Å; R529-C532 CarbonylContact O-C 3.57Å; R529-C532 WeakPolarHBondContact O-CA 3.42Å; R529-C532 WeakPolarHBondContact O-CB 3.49Å; R529-C532 PolarHBondContact O-N 3.25Å; C532-K534 VanDerWaalsContact C-N 3.32Å; C532-K534 PolarHBondContact O-N 2.84Å; C532-L535 WeakPolarHBondContact O-CB 3.46Å; C532-L535 PolarHBondContact O-N 3.17Å; C532-L535 VanDerWaalsContact O-N 3.16Å; C532-E536 PolarHBondContact O-N 3.17Å
533	D	81.8	Confident	83.5	Confident	61 Å²	61	87.6 Å²	87.6	33%	0.326	42%	0.422	S	S	.	.	H	α-helix	trans	-66.4	-32.9	179.5	-71.9	26.5	0	0	0	111.9	R529 R537	R529-D533 PolarHBondContact O-N 3.11Å; D533-R537 VanDerWaalsContact O-CG 3.29Å; D533-R537 WeakPolarHBondContact O-CG 3.34Å; D533-R537 PolarHBondContact O-N 2.94Å; D533-R537 PolarHBondContact O-NE 3.37Å
534	K	82.3	Confident	82.8	Confident	102 Å²	102	89 Å²	89	44%	0.443	42%	0.421	S	S	.	.	H	α-helix	trans	-69.1	-40.4	170.8	-73.9	164	-168	170.5	0	111.9	D530 H531 C532 R538	D530-K534 WeakPolarHBondContact O-CB 3.31Å; D530-K534 VanDerWaalsContact O-CD 3.25Å; D530-K534 WeakPolarHBondContact O-CD 3.44Å; D530-K534 WeakPolarHBondContact O-CG 3.49Å; D530-K534 PolarHBondContact O-N 3.1Å; D530-K534 VanDerWaalsContact O-N 3.12Å; H531-K534 PolarHBondContact O-N 3Å; C532-K534 VanDerWaalsContact C-N 3.32Å; C532-K534 PolarHBondContact O-N 2.84Å; K534-R538 PolarHBondContact O-N 3.47Å; K534-R538 VanDerWaalsContact O-N 3.14Å
535	L	77.5	Confident	82.1	Confident	48 Å²	48	88.6 Å²	88.6	25%	0.251	42%	0.415	S	S	.	.	H	α-helix	trans	-64.6	-45	175.1	-83.8	168.4	0	0	0	111.9	H531 C532 R537 R538 I539 Y574	H531-L535 WeakPolarHBondContact O-CB 3.45Å; H531-L535 WeakPolarHBondContact O-CG 3.5Å; H531-L535 PolarHBondContact O-N 2.94Å; C532-L535 WeakPolarHBondContact O-CB 3.46Å; C532-L535 PolarHBondContact O-N 3.17Å; C532-L535 VanDerWaalsContact O-N 3.16Å; L535-R537 PolarHBondContact O-N 2.97Å; L535-R538 PolarHBondContact O-N 2.91Å; L535-I539 WeakPolarHBondContact O-CB 3.41Å; L535-I539 VanDerWaalsContact O-CG1 3.28Å; L535-I539 WeakPolarHBondContact O-CG1 3.19Å; L535-I539 PolarHBondContact O-N 3.07Å; L535-Y574 HydrophobicContact CD1-CD1 3.72Å; L535-Y574 HydrophobicContact CD1-CE1 3.88Å; L535-Y574 HydrophobicContact CD1-CG 4.35Å; L535-Y574 HydrophobicContact CD2-CD1 3.77Å; L535-Y574 HydrophobicContact CD2-CD2 3.74Å; L535-Y574 HydrophobicContact CD2-CE1 3.81Å; L535-Y574 HydrophobicContact CD2-CE2 3.79Å; L535-Y574 HydrophobicContact CD2-CG 3.72Å; L535-Y574 HydrophobicContact CG-CD1 3.9Å; L535-Y574 HydrophobicContact CG-CE1 3.67Å; L535-Y574 HydrophobicContact CG-CE2 4.46Å; L535-Y574 HydrophobicContact CG-CG 4.36Å
536	E	80.7	Confident	81.4	Confident	104 Å²	104	86.9 Å²	86.9	49%	0.486	41%	0.409	S	S	.	.	H	α-helix	trans	-61.6	-42.9	179.5	-172.7	164.2	-158.8	0	0	111.3	C532 I539 L540	C532-E536 PolarHBondContact O-N 3.17Å; E536-I539 PolarHBondContact O-N 3.34Å; E536-L540 HydrophobicContact CG-CD1 4.32Å; E536-L540 VanDerWaalsContact O-CG 3.31Å; E536-L540 WeakPolarHBondContact O-CG 3.41Å; E536-L540 PolarHBondContact O-N 3.46Å
537	R	81.6	Confident	80.7	Confident	153 Å²	153	86 Å²	86	58%	0.577	41%	0.408	S	S	*	.	H	α-helix	trans	-59	-49.7	172.9	-70.3	171.7	-136.9	-169.9	1.1	112.3	D533 L535 I539 L540 E541	D533-R537 VanDerWaalsContact O-CG 3.29Å; D533-R537 WeakPolarHBondContact O-CG 3.34Å; D533-R537 PolarHBondContact O-N 2.94Å; D533-R537 PolarHBondContact O-NE 3.37Å; L535-R537 PolarHBondContact O-N 2.97Å; R537-I539 VanDerWaalsContact C-N 3.33Å; R537-I539 PolarHBondContact O-N 3.18Å; R537-L540 WeakPolarHBondContact O-CB 3.43Å; R537-L540 PolarHBondContact O-N 2.94Å; R537-L540 VanDerWaalsContact O-N 3.14Å; R537-E541 WeakPolarHBondContact O-CG 3.41Å; R537-E541 PolarHBondContact O-N 3.33Å
538	R	78.4	Confident	79.9	Confident	123 Å²	123	86.2 Å²	86.2	46%	0.464	40%	0.401	S	S	.	.	H	α-helix	trans	-60.9	-40	177.5	-77.3	-173.8	168.8	-141.4	-6.5	112.6	K534 L535 L540 E541 C542	K534-R538 PolarHBondContact O-N 3.47Å; K534-R538 VanDerWaalsContact O-N 3.14Å; L535-R538 PolarHBondContact O-N 2.91Å; R538-L540 VanDerWaalsContact C-N 3.34Å; R538-L540 PolarHBondContact O-N 3.31Å; R538-E541 PolarHBondContact O-N 2.98Å; R538-C542 WeakPolarHBondContact O-CB 3.42Å; R538-C542 PolarHBondContact O-N 3.02Å; R538-C542 PolarHBondContact O-SG 2.96Å
539	I	79.4	Confident	79	Confident	41 Å²	41	87.5 Å²	87.5	21%	0.21	40%	0.4	C	S	.	.	H	α-helix	trans	-63.2	-41	175.9	-70.6	164.7	0	0	0	110.8	P315 L535 E536 R537 C542 Q543	P315-I539 HydrophobicContact CB-CD1 4.33Å; P315-I539 HydrophobicContact CG-CD1 4.01Å; P315-I539 HydrophobicContact CG-CG1 4.34Å; P315-I539 HydrophobicContact CG-CG2 3.91Å; L535-I539 WeakPolarHBondContact O-CB 3.41Å; L535-I539 VanDerWaalsContact O-CG1 3.28Å; L535-I539 WeakPolarHBondContact O-CG1 3.19Å; L535-I539 PolarHBondContact O-N 3.07Å; E536-I539 PolarHBondContact O-N 3.34Å; R537-I539 VanDerWaalsContact C-N 3.33Å; R537-I539 PolarHBondContact O-N 3.18Å; I539-C542 PolarHBondContact O-N 3.49Å; I539-Q543 WeakPolarHBondContact O-CB 3.44Å; I539-Q543 VanDerWaalsContact O-CG 3.29Å; I539-Q543 WeakPolarHBondContact O-CG 3.46Å; I539-Q543 PolarHBondContact O-N 2.99Å
540	L	82	Confident	78.3	Confident	98 Å²	98	84.3 Å²	84.3	51%	0.513	39%	0.394	S	S	.	.	H	α-helix	trans	-66.3	-43.1	175.8	-69.9	168	0	0	0	112.1	E536 R537 R538 C542 Q543 E544	E536-L540 HydrophobicContact CG-CD1 4.32Å; E536-L540 VanDerWaalsContact O-CG 3.31Å; E536-L540 WeakPolarHBondContact O-CG 3.41Å; E536-L540 PolarHBondContact O-N 3.46Å; R537-L540 WeakPolarHBondContact O-CB 3.43Å; R537-L540 PolarHBondContact O-N 2.94Å; R537-L540 VanDerWaalsContact O-N 3.14Å; R538-L540 VanDerWaalsContact C-N 3.34Å; R538-L540 PolarHBondContact O-N 3.31Å; L540-C542 VanDerWaalsContact C-N 3.34Å; L540-C542 PolarHBondContact O-N 3.48Å; L540-Q543 PolarHBondContact O-N 3.12Å; L540-E544 PolarHBondContact O-N 3.47Å
541	E	80	Confident	77.6	Confident	92 Å²	92	88.3 Å²	88.3	43%	0.43	41%	0.412	S	S	.	.	H	α-helix	trans	-57.9	-44.7	173	-71	167.6	-139.8	0	0	111.5	R537 R538 E544 R545	R537-E541 WeakPolarHBondContact O-CG 3.41Å; R537-E541 PolarHBondContact O-N 3.33Å; R538-E541 PolarHBondContact O-N 2.98Å; E541-E544 PolarHBondContact O-N 3.4Å; E541-R545 WeakPolarHBondContact O-CG 3.26Å; E541-R545 PolarHBondContact O-N 3.39Å; E541-R545 IonicContact OE2-NH2 2.91Å
542	C	76.5	Confident	76.6	Confident	25 Å²	25	87.1 Å²	87.1	17%	0.169	42%	0.423	C	S	.	.	H	α-helix	trans	-64.5	-40	177.4	-63.9	0	0	0	0	112	R538 I539 L540 A546 I567	R538-C542 WeakPolarHBondContact O-CB 3.42Å; R538-C542 PolarHBondContact O-N 3.02Å; R538-C542 PolarHBondContact O-SG 2.96Å; I539-C542 PolarHBondContact O-N 3.49Å; L540-C542 VanDerWaalsContact C-N 3.34Å; L540-C542 PolarHBondContact O-N 3.48Å; C542-A546 WeakPolarHBondContact O-CB 3.5Å; C542-A546 PolarHBondContact O-N 2.92Å; C542-I567 HydrophobicContact CB-CD1 4.25Å; C542-I567 HydrophobicContact CB-CG1 4.14Å
543	Q	77.5	Confident	75.4	Confident	81 Å²	81	90.7 Å²	90.7	38%	0.379	44%	0.436	S	S	.	.	H	α-helix	trans	-64.7	-39.5	174.1	-74.8	174	9.6	0	0	111.8	I539 L540 A546 L547	I539-Q543 WeakPolarHBondContact O-CB 3.44Å; I539-Q543 VanDerWaalsContact O-CG 3.29Å; I539-Q543 WeakPolarHBondContact O-CG 3.46Å; I539-Q543 PolarHBondContact O-N 2.99Å; L540-Q543 PolarHBondContact O-N 3.12Å; Q543-A546 PolarHBondContact O-N 3.49Å; Q543-L547 WeakPolarHBondContact O-CB 3.46Å; Q543-L547 VanDerWaalsContact O-CG 3.32Å; Q543-L547 WeakPolarHBondContact O-CG 3.45Å; Q543-L547 PolarHBondContact O-N 3.17Å
544	E	78.6	Confident	73.9	Confident	98 Å²	98	93.5 Å²	93.5	46%	0.458	46%	0.46	S	S	.	.	H	α-helix	trans	-66.6	-44.9	177.2	-154.8	-157.4	148.9	0	0	111.6	L540 E541 A546 L547 R548	L540-E544 PolarHBondContact O-N 3.47Å; E541-E544 PolarHBondContact O-N 3.4Å; E544-A546 VanDerWaalsContact C-N 3.32Å; E544-A546 PolarHBondContact O-N 2.94Å; E544-L547 PolarHBondContact O-N 3.32Å; E544-L547 VanDerWaalsContact O-N 3.16Å; E544-R548 WeakPolarHBondContact O-CG 3.29Å; E544-R548 PolarHBondContact O-N 3.03Å; E544-R548 IonicContact OE1-CZ 3.67Å; E544-R548 IonicContact OE1-NE 3.61Å; E544-R548 PolarHBondContact OE1-NE 3.05Å; E544-R548 IonicContact OE1-NH2 3.18Å; E544-R548 PolarHBondContact OE1-NH2 3.16Å; E544-R548 IonicContact OE2-NH2 2.66Å
545	R	75	Confident	72.2	Confident	95 Å²	95	94.6 Å²	94.6	36%	0.358	47%	0.465	S	S	.	.	H	α-helix	trans	-56.5	-45.6	173.7	-67.6	177	-159.5	-167.2	10.8	111.2	E541 L547 R548 Y549 E566	E541-R545 WeakPolarHBondContact O-CG 3.26Å; E541-R545 PolarHBondContact O-N 3.39Å; E541-R545 IonicContact OE2-NH2 2.91Å; R545-L547 PolarHBondContact O-N 3.44Å; R545-R548 PolarHBondContact O-N 3.03Å; R545-Y549 PolarHBondContact O-N 2.83Å; R545-E566 IonicContact CZ-OE1 3.81Å; R545-E566 IonicContact CZ-OE2 3.93Å; R545-E566 IonicContact NH1-OE1 2.99Å; R545-E566 PolarHBondContact NH1-OE1 3.33Å; R545-E566 IonicContact NH1-OE2 2.67Å; R545-E566 PolarHBondContact NH1-OE2 2.89Å; R545-E566 IonicContact NH2-OE1 3.97Å
546	A	72.7	Confident	71.1	Confident	43 Å²	43	101.3 Å²	101.3	36%	0.355	49%	0.492	S	S	.	.	H	α-helix	trans	-64.6	-36.1	176.8	0	0	0	0	0	113.3	C542 Q543 E544 L550	C542-A546 WeakPolarHBondContact O-CB 3.5Å; C542-A546 PolarHBondContact O-N 2.92Å; Q543-A546 PolarHBondContact O-N 3.49Å; E544-A546 VanDerWaalsContact C-N 3.32Å; E544-A546 PolarHBondContact O-N 2.94Å; A546-L550 WeakPolarHBondContact O-CG 3.21Å; A546-L550 PolarHBondContact O-N 2.91Å
547	L	75.9	Confident	69.4	Low	96 Å²	96	102.1 Å²	102.1	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-69.5	-41.3	174.4	-74.6	170.7	0	0	0	112.3	Q543 E544 R545 Y549 L550 Q551	Q543-L547 WeakPolarHBondContact O-CB 3.46Å; Q543-L547 VanDerWaalsContact O-CG 3.32Å; Q543-L547 WeakPolarHBondContact O-CG 3.45Å; Q543-L547 PolarHBondContact O-N 3.17Å; E544-L547 PolarHBondContact O-N 3.32Å; E544-L547 VanDerWaalsContact O-N 3.16Å; R545-L547 PolarHBondContact O-N 3.44Å; L547-Y549 VanDerWaalsContact C-N 3.3Å; L547-Y549 PolarHBondContact O-N 3.45Å; L547-L550 PolarHBondContact O-N 3.08Å; L547-Q551 WeakPolarHBondContact O-CB 3.25Å; L547-Q551 VanDerWaalsContact O-CG 3.26Å; L547-Q551 WeakPolarHBondContact O-CG 3.45Å; L547-Q551 PolarHBondContact O-N 3.27Å
548	R	73.5	Confident	68.2	Low	112 Å²	112	100.4 Å²	100.4	42%	0.423	51%	0.508	S	S	.	.	H	α-helix	trans	-60.5	-40.3	174.4	-68.4	178.6	-170.6	-172.3	6.5	111.5	E544 R545 Q551	E544-R548 WeakPolarHBondContact O-CG 3.29Å; E544-R548 PolarHBondContact O-N 3.03Å; E544-R548 IonicContact OE1-CZ 3.67Å; E544-R548 IonicContact OE1-NE 3.61Å; E544-R548 PolarHBondContact OE1-NE 3.05Å; E544-R548 IonicContact OE1-NH2 3.18Å; E544-R548 PolarHBondContact OE1-NH2 3.16Å; E544-R548 IonicContact OE2-NH2 2.66Å; R545-R548 PolarHBondContact O-N 3.03Å; R548-Q551 PolarHBondContact O-N 2.95Å
549	Y	65.5	Low	67.4	Low	127 Å²	127	97.8 Å²	97.8	50%	0.498	51%	0.506	S	S	.	.	H	α-helix	trans	-60.9	-50.2	172.7	178	-95.4	0	0	0	112	R545 L547 Q551 G552 T560	R545-Y549 PolarHBondContact O-N 2.83Å; L547-Y549 VanDerWaalsContact C-N 3.3Å; L547-Y549 PolarHBondContact O-N 3.45Å; Y549-Q551 PolarHBondContact O-N 3.27Å; Y549-G552 PolarHBondContact O-N 3.35Å; Y549-G552 VanDerWaalsContact O-N 3.12Å; Y549-T560 HydrophobicContact CD2-CG2 4.35Å; Y549-T560 HydrophobicContact CE1-CG2 4.37Å; Y549-T560 HydrophobicContact CE2-CG2 3.44Å; Y549-T560 VanDerWaalsContact CE2-CG2 3.44Å; Y549-T560 VanDerWaalsContact CZ-CG2 3.46Å; Y549-T560 WeakPolarHBondContact OH-CG2 3.33Å
550	L	70.4	Confident	66.5	Low	89 Å²	89	99.1 Å²	99.1	47%	0.466	52%	0.516	S	S	.	.	H	α-helix	trans	-64.6	-22.8	177.7	-73.2	171.2	0	0	0	114	L307 I311 A546 L547 G552	L307-L550 HydrophobicContact CD1-CD2 4.25Å; I311-L550 HydrophobicContact CD1-CD1 4.49Å; A546-L550 WeakPolarHBondContact O-CG 3.21Å; A546-L550 PolarHBondContact O-N 2.91Å; L547-L550 PolarHBondContact O-N 3.08Å; L550-G552 PolarHBondContact O-N 3.48Å
551	Q	73.1	Confident	65.6	Low	135 Å²	135	100.8 Å²	100.8	63%	0.631	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	3.8	175.9	-74.5	174.6	2.8	0	0	113.8	L547 R548 Y549 Q553	L547-Q551 WeakPolarHBondContact O-CB 3.25Å; L547-Q551 VanDerWaalsContact O-CG 3.26Å; L547-Q551 WeakPolarHBondContact O-CG 3.45Å; L547-Q551 PolarHBondContact O-N 3.27Å; R548-Q551 PolarHBondContact O-N 2.95Å; Y549-Q551 PolarHBondContact O-N 3.27Å; Q551-Q553 VanDerWaalsContact C-N 3.29Å; Q551-Q553 PolarHBondContact O-N 3.45Å
552	G	64.4	Low	64.9	Low	64 Å²	64	101.5 Å²	101.5	66%	0.66	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	18.6	171	0	0	0	0	0	114.9	Y549 L550 S554	Y549-G552 PolarHBondContact O-N 3.35Å; Y549-G552 VanDerWaalsContact O-N 3.12Å; L550-G552 PolarHBondContact O-N 3.48Å; G552-S554 PolarHBondContact O-N 2.92Å
553	Q	56.6	Low	64.3	Low	118 Å²	118	102.2 Å²	102.2	55%	0.551	53%	0.526	S	S	*	.			trans	-66.9	122.2	169.5	-64.9	-172.1	4.3	0	0	108.8	Q551 F555	Q551-Q553 VanDerWaalsContact C-N 3.29Å; Q551-Q553 PolarHBondContact O-N 3.45Å; Q553-F555 PolarHBondContact O-N 3.44Å
554	S	49.5	Very low	63.8	Low	120 Å²	120	103.2 Å²	103.2	84%	0.839	53%	0.534	S	S	*	.			trans	-73	86.5	-169.7	44.6	0	0	0	0	112.7	G552 K556	G552-S554 PolarHBondContact O-N 2.92Å; S554-K556 PolarHBondContact O-N 2.93Å
555	F	47	Very low	63.3	Low	125 Å²	125	102.5 Å²	102.5	55%	0.548	53%	0.532	S	S	.	.			trans	-61.2	128.3	169.8	-112.1	-102.2	0	0	0	110.7	Q553 S557	Q553-F555 PolarHBondContact O-N 3.44Å; F555-S557 PolarHBondContact O-N 3.33Å
556	K	54.3	Low	62.9	Low	188 Å²	188	102.7 Å²	102.7	82%	0.817	54%	0.537	S	S	*	.			trans	-87	105.6	173.3	-70.7	-178.3	179.1	178.4	0	109	S554 E558	S554-K556 PolarHBondContact O-N 2.93Å; K556-E558 PolarHBondContact O-N 2.87Å
557	S	45.4	Very low	62.4	Low	121 Å²	121	102.6 Å²	102.6	85%	0.846	53%	0.531	S	S	*	.	S	Bend	trans	51.7	43.7	157.6	62.7	0	0	0	0	116.9	F555	F555-S557 PolarHBondContact O-N 3.33Å
558	E	55.6	Low	62	Low	118 Å²	118	102.7 Å²	102.7	55%	0.551	53%	0.531	S	S	*	.			trans	-107.9	134.1	142.7	-75	177.3	150.2	0	0	106.1	K556	K556-E558 PolarHBondContact O-N 2.87Å
559	T	62	Low	61.7	Low	68 Å²	68	102 Å²	102	42%	0.417	53%	0.533	S	S	.	.			trans	-73.5	152.3	-177.9	61.8	0	0	0	0	110.8	E561 E562 I563	T559-E561 PolarHBondContact O-N 3.38Å; T559-E562 WeakPolarHBondContact CB-OE2 3.45Å; T559-E562 WeakPolarHBondContact CG2-OE2 3.42Å; T559-E562 PolarHBondContact N-OE2 3.32Å; T559-E562 PolarHBondContact O-N 3.2Å; T559-E562 VanDerWaalsContact OG1-CD 3.3Å; T559-E562 VanDerWaalsContact OG1-CG 3.29Å; T559-E562 WeakPolarHBondContact OG1-CG 3.48Å; T559-E562 PolarHBondContact OG1-N 3.11Å; T559-E562 PolarHBondContact OG1-OE2 2.69Å; T559-I563 PolarHBondContact O-N 2.95Å
560	T	60.1	Low	61.5	Low	68 Å²	68	97.1 Å²	97.1	42%	0.417	52%	0.517	S	S	.	.	H	α-helix	trans	-56.9	-30	168.3	41.7	0	0	0	0	112	Y549 L564	Y549-T560 HydrophobicContact CD2-CG2 4.35Å; Y549-T560 HydrophobicContact CE1-CG2 4.37Å; Y549-T560 HydrophobicContact CE2-CG2 3.44Å; Y549-T560 VanDerWaalsContact CE2-CG2 3.44Å; Y549-T560 VanDerWaalsContact CZ-CG2 3.46Å; Y549-T560 WeakPolarHBondContact OH-CG2 3.33Å; T560-L564 WeakPolarHBondContact O-CB 3.32Å; T560-L564 WeakPolarHBondContact O-CD1 3.42Å; T560-L564 WeakPolarHBondContact O-CG 3.4Å; T560-L564 PolarHBondContact O-N 3.43Å
561	E	63.6	Low	60.8	Low	133 Å²	133	96.7 Å²	96.7	62%	0.621	52%	0.521	S	S	*	.	H	α-helix	trans	-66.5	-45.1	176.5	-170.3	166	-169	0	0	112.1	T559 I563 L564 L565	T559-E561 PolarHBondContact O-N 3.38Å; E561-I563 PolarHBondContact O-N 3.15Å; E561-L564 PolarHBondContact O-N 3.33Å; E561-L565 HydrophobicContact CG-CD1 3.97Å; E561-L565 HydrophobicContact CG-CG 4.43Å; E561-L565 VanDerWaalsContact O-CB 3.31Å; E561-L565 WeakPolarHBondContact O-CB 3.47Å; E561-L565 WeakPolarHBondContact O-CG 3.39Å; E561-L565 PolarHBondContact O-N 3.06Å
562	E	66.6	Low	60.2	Low	107 Å²	107	97.6 Å²	97.6	50%	0.5	52%	0.518	S	S	.	.	H	α-helix	trans	-61	-44.4	176.2	-76.3	156.5	129.9	0	0	112.4	T559 L565 E566	T559-E562 WeakPolarHBondContact CB-OE2 3.45Å; T559-E562 WeakPolarHBondContact CG2-OE2 3.42Å; T559-E562 PolarHBondContact N-OE2 3.32Å; T559-E562 PolarHBondContact O-N 3.2Å; T559-E562 VanDerWaalsContact OG1-CD 3.3Å; T559-E562 VanDerWaalsContact OG1-CG 3.29Å; T559-E562 WeakPolarHBondContact OG1-CG 3.48Å; T559-E562 PolarHBondContact OG1-N 3.11Å; T559-E562 PolarHBondContact OG1-OE2 2.69Å; E562-L565 PolarHBondContact O-N 2.88Å; E562-E566 PolarHBondContact O-N 3.42Å
563	I	63.8	Low	59.8	Low	41 Å²	41	99.5 Å²	99.5	21%	0.21	52%	0.517	C	S	.	.	H	α-helix	trans	-65.3	-42.1	176.7	-60.9	174.1	0	0	0	110.8	T559 E561 L565 E566 I567	T559-I563 PolarHBondContact O-N 2.95Å; E561-I563 PolarHBondContact O-N 3.15Å; I563-L565 VanDerWaalsContact C-N 3.34Å; I563-E566 PolarHBondContact O-N 3.5Å; I563-I567 HydrophobicContact CG2-CD1 4Å; I563-I567 WeakPolarHBondContact O-CD1 3.5Å; I563-I567 WeakPolarHBondContact O-CG1 3.2Å; I563-I567 PolarHBondContact O-N 3.41Å; I563-I567 VanDerWaalsContact O-N 3.07Å
564	L	65.7	Low	59.3	Low	102 Å²	102	98.1 Å²	98.1	53%	0.534	51%	0.507	S	S	.	.	H	α-helix	trans	-66.9	-34.8	176.2	-75.1	168.6	0	0	0	112.2	T560 E561 I567 L568	T560-L564 WeakPolarHBondContact O-CB 3.32Å; T560-L564 WeakPolarHBondContact O-CD1 3.42Å; T560-L564 WeakPolarHBondContact O-CG 3.4Å; T560-L564 PolarHBondContact O-N 3.43Å; E561-L564 PolarHBondContact O-N 3.33Å; L564-I567 PolarHBondContact O-N 3.09Å; L564-L568 WeakPolarHBondContact O-CB 3.27Å; L564-L568 VanDerWaalsContact O-CG 3.23Å; L564-L568 WeakPolarHBondContact O-CG 3.25Å; L564-L568 PolarHBondContact O-N 3.41Å
565	L	69.3	Low	59.1	Low	83 Å²	83	104.5 Å²	104.5	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-68.6	-42.1	174.6	-74.9	169.1	0	0	0	111.5	E561 E562 I563 I567 L568 E569	E561-L565 HydrophobicContact CG-CD1 3.97Å; E561-L565 HydrophobicContact CG-CG 4.43Å; E561-L565 VanDerWaalsContact O-CB 3.31Å; E561-L565 WeakPolarHBondContact O-CB 3.47Å; E561-L565 WeakPolarHBondContact O-CG 3.39Å; E561-L565 PolarHBondContact O-N 3.06Å; E562-L565 PolarHBondContact O-N 2.88Å; I563-L565 VanDerWaalsContact C-N 3.34Å; L565-I567 VanDerWaalsContact C-N 3.32Å; L565-I567 PolarHBondContact O-N 3.26Å; L565-L568 PolarHBondContact O-N 3.14Å; L565-E569 VanDerWaalsContact O-CB 3.26Å; L565-E569 WeakPolarHBondContact O-CB 3.5Å; L565-E569 PolarHBondContact O-N 2.81Å
566	E	66.4	Low	59.7	Low	98 Å²	98	103.5 Å²	103.5	46%	0.458	52%	0.518	S	S	.	.	H	α-helix	trans	-61.9	-40	174.2	-165.8	-161.7	166.1	0	0	111.5	R545 E562 I563 S570	R545-E566 IonicContact CZ-OE1 3.81Å; R545-E566 IonicContact CZ-OE2 3.93Å; R545-E566 IonicContact NH1-OE1 2.99Å; R545-E566 PolarHBondContact NH1-OE1 3.33Å; R545-E566 IonicContact NH1-OE2 2.67Å; R545-E566 PolarHBondContact NH1-OE2 2.89Å; R545-E566 IonicContact NH2-OE1 3.97Å; E562-E566 PolarHBondContact O-N 3.42Å; I563-E566 PolarHBondContact O-N 3.5Å; E566-S570 VanDerWaalsContact O-CB 3.26Å; E566-S570 WeakPolarHBondContact O-CB 3.12Å; E566-S570 PolarHBondContact O-N 3.32Å; E566-S570 PolarHBondContact O-OG 3.35Å
567	I	62.3	Low	60	Low	42 Å²	42	99.1 Å²	99.1	22%	0.215	50%	0.503	C	S	.	.	H	α-helix	trans	-64.5	-45.7	174.2	-66.6	168	0	0	0	110.7	C542 I563 L564 L565 S570 C571	C542-I567 HydrophobicContact CB-CD1 4.25Å; C542-I567 HydrophobicContact CB-CG1 4.14Å; I563-I567 HydrophobicContact CG2-CD1 4Å; I563-I567 WeakPolarHBondContact O-CD1 3.5Å; I563-I567 WeakPolarHBondContact O-CG1 3.2Å; I563-I567 PolarHBondContact O-N 3.41Å; I563-I567 VanDerWaalsContact O-N 3.07Å; L564-I567 PolarHBondContact O-N 3.09Å; L565-I567 VanDerWaalsContact C-N 3.32Å; L565-I567 PolarHBondContact O-N 3.26Å; I567-S570 PolarHBondContact O-OG 3.06Å; I567-S570 VanDerWaalsContact O-OG 3.1Å; I567-C571 PolarHBondContact O-N 2.88Å; I567-C571 PolarHBondContact O-SG 2.06Å; I567-C571 VanDerWaalsContact O-SG 3.41Å
568	L	65.9	Low	60.8	Low	97 Å²	97	97.8 Å²	97.8	51%	0.508	48%	0.484	S	S	.	.	H	α-helix	trans	-67.4	-38.5	178.8	-75.1	168.6	0	0	0	112.6	L564 L565 C571 R572	L564-L568 WeakPolarHBondContact O-CB 3.27Å; L564-L568 VanDerWaalsContact O-CG 3.23Å; L564-L568 WeakPolarHBondContact O-CG 3.25Å; L564-L568 PolarHBondContact O-N 3.41Å; L565-L568 PolarHBondContact O-N 3.14Å; L568-C571 PolarHBondContact O-N 2.97Å; L568-R572 VanDerWaalsContact O-CG 3.31Å; L568-R572 WeakPolarHBondContact O-CG 3.19Å; L568-R572 PolarHBondContact O-N 3.09Å
569	E	68.3	Low	61.1	Low	99 Å²	99	96.6 Å²	96.6	46%	0.463	48%	0.48	S	S	.	.	H	α-helix	trans	-70.3	-42.4	178.5	-158	66	-169.9	0	0	111	L565 C571 R572 V573	L565-E569 VanDerWaalsContact O-CB 3.26Å; L565-E569 WeakPolarHBondContact O-CB 3.5Å; L565-E569 PolarHBondContact O-N 2.81Å; E569-C571 PolarHBondContact O-N 3.27Å; E569-R572 PolarHBondContact O-N 2.8Å; E569-R572 VanDerWaalsContact O-N 3.08Å; E569-R572 WeakPolarHBondContact OE2-CD 3.18Å; E569-R572 IonicContact OE2-CZ 3.66Å; E569-R572 IonicContact OE2-NE 3.82Å; E569-R572 IonicContact OE2-NH1 2.73Å; E569-R572 PolarHBondContact OE2-NH1 3.18Å; E569-V573 WeakPolarHBondContact O-CG2 3.16Å; E569-V573 PolarHBondContact O-N 3.06Å; E569-V573 VanDerWaalsContact O-N 3.11Å
570	S	60.6	Low	61	Low	24 Å²	24	98.4 Å²	98.4	17%	0.168	48%	0.483	C	S	.	.	H	α-helix	trans	-68	-18.3	173	62	0	0	0	0	113.9	E566 I567 Y574	E566-S570 VanDerWaalsContact O-CB 3.26Å; E566-S570 WeakPolarHBondContact O-CB 3.12Å; E566-S570 PolarHBondContact O-N 3.32Å; E566-S570 PolarHBondContact O-OG 3.35Å; I567-S570 PolarHBondContact O-OG 3.06Å; I567-S570 VanDerWaalsContact O-OG 3.1Å; S570-Y574 WeakPolarHBondContact O-CD2 3.32Å
571	C	57.1	Low	61.1	Low	80 Å²	80	100.5 Å²	100.5	54%	0.541	49%	0.488	S	S	.	.	H	α-helix	trans	-82.5	-37.4	163.8	-73.7	0	0	0	0	113.7	I567 L568 E569 V573 Y574	I567-C571 PolarHBondContact O-N 2.88Å; I567-C571 PolarHBondContact O-SG 2.06Å; I567-C571 VanDerWaalsContact O-SG 3.41Å; L568-C571 PolarHBondContact O-N 2.97Å; E569-C571 PolarHBondContact O-N 3.27Å; C571-V573 VanDerWaalsContact C-N 3.31Å; C571-V573 PolarHBondContact O-N 3.37Å; C571-Y574 PolarHBondContact O-N 3.38Å; C571-Y574 VanDerWaalsContact O-N 3.16Å
572	R	60.1	Low	60.9	Low	154 Å²	154	98.1 Å²	98.1	58%	0.581	48%	0.478	S	S	*	.	H	α-helix	trans	-61.7	-35.6	178.9	-81.1	165.3	171.2	173.9	-0.4	112.9	L568 E569 Y574 K575	L568-R572 VanDerWaalsContact O-CG 3.31Å; L568-R572 WeakPolarHBondContact O-CG 3.19Å; L568-R572 PolarHBondContact O-N 3.09Å; E569-R572 PolarHBondContact O-N 2.8Å; E569-R572 VanDerWaalsContact O-N 3.08Å; E569-R572 WeakPolarHBondContact OE2-CD 3.18Å; E569-R572 IonicContact OE2-CZ 3.66Å; E569-R572 IonicContact OE2-NE 3.82Å; E569-R572 IonicContact OE2-NH1 2.73Å; E569-R572 PolarHBondContact OE2-NH1 3.18Å; R572-Y574 PolarHBondContact O-N 2.83Å; R572-K575 PolarHBondContact O-N 3.06Å; R572-K575 VanDerWaalsContact O-N 3.16Å
573	V	54.5	Low	60.5	Low	104 Å²	104	97.5 Å²	97.5	63%	0.63	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-8.7	176.5	171.4	0	0	0	0	113.5	E569 C571	E569-V573 WeakPolarHBondContact O-CG2 3.16Å; E569-V573 PolarHBondContact O-N 3.06Å; E569-V573 VanDerWaalsContact O-N 3.11Å; C571-V573 VanDerWaalsContact C-N 3.31Å; C571-V573 PolarHBondContact O-N 3.37Å
574	Y	47.5	Very low	60.2	Low	88 Å²	88	102.2 Å²	102.2	35%	0.345	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	21.6	178.4	-69.5	-95.7	0	0	0	113.6	L535 S570 C571 R572	L535-Y574 HydrophobicContact CD1-CD1 3.72Å; L535-Y574 HydrophobicContact CD1-CE1 3.88Å; L535-Y574 HydrophobicContact CD1-CG 4.35Å; L535-Y574 HydrophobicContact CD2-CD1 3.77Å; L535-Y574 HydrophobicContact CD2-CD2 3.74Å; L535-Y574 HydrophobicContact CD2-CE1 3.81Å; L535-Y574 HydrophobicContact CD2-CE2 3.79Å; L535-Y574 HydrophobicContact CD2-CG 3.72Å; L535-Y574 HydrophobicContact CG-CD1 3.9Å; L535-Y574 HydrophobicContact CG-CE1 3.67Å; L535-Y574 HydrophobicContact CG-CE2 4.46Å; L535-Y574 HydrophobicContact CG-CG 4.36Å; S570-Y574 WeakPolarHBondContact O-CD2 3.32Å; C571-Y574 PolarHBondContact O-N 3.38Å; C571-Y574 VanDerWaalsContact O-N 3.16Å; R572-Y574 PolarHBondContact O-N 2.83Å
575	K	44.5	Very low	59.7	Low	255 Å²	255	102.2 Å²	102.2	100%	1.109	50%	0.496	S	S	*	.			trans	-95.7	0	167.8	-126.3	-164.5	179	-160.6	0	111.2	R572	R572-K575 PolarHBondContact O-N 3.06Å; R572-K575 VanDerWaalsContact O-N 3.16Å

Retrieved 575 of 575 residues in 259.7 ms (Link to these results)

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