A0A077ZIA6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIA6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 227 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	36.4	Very low	37.4	Very low	243 Å²	243	139.9 Å²	139.9	100%	1.197	85%	0.853	S	S	*	*				0	109.2	0	-65.1	178	97.7	0	0	108
2	L	42	Very low	37.4	Very low	186 Å²	186	142 Å²	142	97%	0.974	85%	0.854	S	S	*	*			trans	-170.6	118.5	159.9	-99.4	158.9	0	0	0	106.1
3	K	35.6	Very low	37.5	Very low	210 Å²	210	148.1 Å²	148.1	91%	0.913	85%	0.852	S	S	*	*			trans	-73.9	131.6	-170.8	-87.5	169.9	168.7	172.7	0	111	G5	K3-G5 PolarHBondContact O-N 3.49Å
4	A	38	Very low	37.4	Very low	104 Å²	104	144.2 Å²	144.2	86%	0.86	84%	0.839	S	S	*	*			trans	-74.6	115.2	166.2	0	0	0	0	0	109.5
5	G	38.1	Very low	37.2	Very low	66 Å²	66	151.1 Å²	151.1	68%	0.68	85%	0.845	S	S	*	*			trans	-93.8	110.1	173.5	0	0	0	0	0	110.9	K3	K3-G5 PolarHBondContact O-N 3.49Å
6	T	34.2	Very low	37	Very low	143 Å²	143	147 Å²	147	88%	0.877	83%	0.829	S	S	*	*			trans	-13.6	119.7	153.8	41.6	0	0	0	0	116.8
7	L	38.2	Very low	37.3	Very low	162 Å²	162	147.4 Å²	147.4	85%	0.848	84%	0.835	S	S	*	*			trans	-111.2	143.5	156.7	-76.9	175.7	0	0	0	110.2
8	P	38.2	Very low	37.3	Very low	117 Å²	117	145.8 Å²	145.8	76%	0.76	82%	0.824	S	S	*	*			trans	-74.5	128	-165.9	29.4	-33.3	0	0	0	112.1	G10	P8-G10 PolarHBondContact O-N 3.23Å; P8-G10 VanDerWaalsContact O-N 3.13Å
9	T	37.6	Very low	37.1	Very low	152 Å²	152	140.7 Å²	140.7	93%	0.933	81%	0.807	S	S	*	*	S	Bend	trans	-60	102.4	165.6	45.3	0	0	0	0	110.1
10	G	35.2	Very low	37.3	Very low	75 Å²	75	138.8 Å²	138.8	77%	0.773	80%	0.8	S	S	*	*			trans	-171.2	2.3	178.9	0	0	0	0	0	117.9	P8	P8-G10 PolarHBondContact O-N 3.23Å; P8-G10 VanDerWaalsContact O-N 3.13Å
11	S	37.8	Very low	37.2	Very low	81 Å²	81	137.8 Å²	137.8	57%	0.566	79%	0.786	S	S	*	*			trans	-108.2	108.4	176.5	64.3	0	0	0	0	110.2	W13	S11-W13 VanDerWaalsContact CB-CD1 3.46Å; S11-W13 PolarHBondContact O-N 3.25Å; S11-W13 PolarHBondContact OG-NE1 3.02Å
12	L	38.2	Very low	37.4	Very low	165 Å²	165	130.2 Å²	130.2	86%	0.864	76%	0.757	S	S	*	*			trans	-56.3	83.4	160.9	-87.1	112.4	0	0	0	109.2	S14	L12-S14 PolarHBondContact O-N 3Å; L12-S14 VanDerWaalsContact O-N 3.15Å
13	W	37.7	Very low	37.6	Very low	221 Å²	221	124.4 Å²	124.4	84%	0.837	73%	0.729	S	S	*	*			trans	-83.8	80.1	163.7	-76.2	31.3	0	0	0	105.8	S11 R15	S11-W13 VanDerWaalsContact CB-CD1 3.46Å; S11-W13 PolarHBondContact O-N 3.25Å; S11-W13 PolarHBondContact OG-NE1 3.02Å; W13-R15 VanDerWaalsContact C-N 3.29Å; W13-R15 PolarHBondContact O-N 3.09Å
14	S	36.7	Very low	38.1	Very low	94 Å²	94	115.1 Å²	115.1	66%	0.657	69%	0.689	S	S	*	*			trans	-58	102.4	162.1	-63.9	0	0	0	0	106.7	L12 S16	L12-S14 PolarHBondContact O-N 3Å; L12-S14 VanDerWaalsContact O-N 3.15Å; S14-S16 PolarHBondContact O-N 2.87Å
15	R	34.5	Very low	38.6	Very low	248 Å²	248	119.3 Å²	119.3	94%	0.936	68%	0.683	S	S	*	*			trans	-50.1	85.2	160.7	-80.2	170.3	149.6	-171.6	-6.5	107.9	W13	W13-R15 VanDerWaalsContact C-N 3.29Å; W13-R15 PolarHBondContact O-N 3.09Å
16	S	34.4	Very low	39.2	Very low	85 Å²	85	126.3 Å²	126.3	59%	0.594	69%	0.689	S	S	*	*			trans	-69.5	149.5	157	-80.4	0	0	0	0	107.5	S14 D18	S14-S16 PolarHBondContact O-N 2.87Å; S16-D18 PolarHBondContact O-N 3.05Å; S16-D18 VanDerWaalsContact O-N 3.12Å
17	V	42.3	Very low	40.1	Very low	153 Å²	153	120.7 Å²	120.7	93%	0.927	65%	0.653	S	S	*	*	S	Bend	trans	-67	-8.7	-178.2	177.9	0	0	0	0	111.8
18	D	37.3	Very low	41.1	Very low	120 Å²	120	116 Å²	116	64%	0.642	63%	0.632	S	S	*	*	S	Bend	trans	-83.9	128.4	165.3	-58.5	-53.4	0	0	0	109.4	S16	S16-D18 PolarHBondContact O-N 3.05Å; S16-D18 VanDerWaalsContact O-N 3.12Å
19	G	33.1	Very low	41.9	Very low	48 Å²	48	114.8 Å²	114.8	50%	0.495	62%	0.617	S	S	.	*			trans	-57.8	-160	175.3	0	0	0	0	0	113.5	F21	G19-F21 PolarHBondContact O-N 2.65Å
20	P	39.9	Very low	43	Very low	103 Å²	103	115.2 Å²	115.2	67%	0.669	61%	0.609	S	S	*	*	S	Bend	trans	-71	39.6	-171.8	34.1	-37.4	0	0	0	114.2	C22	P20-C22 PolarHBondContact O-N 3.48Å
21	F	36.1	Very low	44.2	Very low	117 Å²	117	116 Å²	116	51%	0.513	59%	0.592	S	S	.	*			trans	-69.2	75.9	166.8	-69.2	-76.6	0	0	0	109	G19 T23	G19-F21 PolarHBondContact O-N 2.65Å; F21-T23 VanDerWaalsContact C-N 3.34Å; F21-T23 PolarHBondContact O-N 2.74Å
22	C	39.6	Very low	45.2	Very low	85 Å²	85	113 Å²	113	57%	0.574	57%	0.569	S	S	*	*			trans	-60.1	105.9	160	-82.4	0	0	0	0	107.3	P20 M24	P20-C22 PolarHBondContact O-N 3.48Å; C22-M24 PolarHBondContact O-N 2.8Å
23	T	47.1	Very low	46.1	Very low	63 Å²	63	111 Å²	111	39%	0.387	56%	0.555	S	S	.	*			trans	-63.7	126.3	-171.8	53.2	0	0	0	0	110.1	F21 R25 R26	F21-T23 VanDerWaalsContact C-N 3.34Å; F21-T23 PolarHBondContact O-N 2.74Å; T23-R25 PolarHBondContact O-N 3.32Å; T23-R26 PolarHBondContact O-N 3.43Å
24	M	46.4	Very low	47.3	Very low	15 Å²	15	102.2 Å²	102.2	7%	0.074	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-42.1	-22.3	155.7	-83.4	-87.6	-69.9	0	0	112.8	C22 R26 L27 K32 F36 L69 Y92	C22-M24 PolarHBondContact O-N 2.8Å; M24-R26 PolarHBondContact O-N 2.93Å; M24-R26 VanDerWaalsContact O-N 3.08Å; M24-L27 PolarHBondContact O-N 2.91Å; M24-L27 HydrophobicContact SD-CD1 3.67Å; M24-K32 WeakPolarHBondContact O-CE 3.28Å; M24-K32 PolarHBondContact O-NZ 3.47Å; M24-K32 VanDerWaalsContact O-NZ 3.08Å; M24-F36 HydrophobicContact CE-CZ 4.46Å; M24-L69 HydrophobicContact CE-CD1 3.97Å; M24-L69 HydrophobicContact CE-CD2 4.03Å; M24-L69 HydrophobicContact CE-CG 4.44Å; M24-L69 HydrophobicContact CG-CB 4Å; M24-L69 HydrophobicContact SD-CB 4.2Å; M24-L69 HydrophobicContact SD-CD1 4.46Å; M24-L69 HydrophobicContact SD-CD2 3.68Å; M24-L69 HydrophobicContact SD-CG 4.3Å; M24-Y92 HydrophobicContact CE-CE1 3.89Å
25	R	48.4	Very low	48.4	Very low	193 Å²	193	98.9 Å²	98.9	73%	0.728	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-52.9	-22.5	169.9	-65.2	-175.7	169.5	175.4	-3.3	114.9	T23	T23-R25 PolarHBondContact O-N 3.32Å
26	R	50	Low	49.5	Very low	213 Å²	213	87.7 Å²	87.7	80%	0.804	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-89.1	-12.4	-179.7	-71.9	-171.3	179.3	-169.5	0.4	114.9	T23 M24	T23-R26 PolarHBondContact O-N 3.43Å; M24-R26 PolarHBondContact O-N 2.93Å; M24-R26 VanDerWaalsContact O-N 3.08Å
27	L	54.5	Low	50.8	Low	25 Å²	25	85.4 Å²	85.4	13%	0.131	45%	0.453	C	S	.	.	S	Bend	trans	-76	135.2	175.4	-66.8	172.3	0	0	0	110	M24 E31 K32	M24-L27 PolarHBondContact O-N 2.91Å; M24-L27 HydrophobicContact SD-CD1 3.67Å; L27-E31 WeakPolarHBondContact CD2-OE2 3.4Å; L27-K32 HydrophobicContact CB-CG 3.98Å; L27-K32 WeakPolarHBondContact O-CE 3.36Å; L27-K32 PolarHBondContact O-NZ 2.87Å
28	P	58.1	Low	51.4	Low	63 Å²	63	81.3 Å²	81.3	41%	0.409	42%	0.422	S	S	.	.			trans	-58.7	146.4	170.7	26.3	-32.7	0	0	0	110	E30 E31 K32	P28-E30 PolarHBondContact O-N 3.23Å; P28-E31 WeakPolarHBondContact CD-OE2 3.47Å; P28-E31 HydrophobicContact CG-CB 4Å; P28-E31 HydrophobicContact CG-CG 3.69Å; P28-E31 WeakPolarHBondContact CG-OE1 3.5Å; P28-E31 PolarHBondContact O-N 3.46Å; P28-K32 PolarHBondContact O-N 3.35Å
29	M	55.6	Low	52.3	Low	91 Å²	91	76.8 Å²	76.8	45%	0.448	40%	0.398	S	S	.	.	H	α-helix	trans	-54.5	-36.2	-177.8	-78.8	-71.2	-75.2	0	0	112.4	E31 K32 E33 V97	M29-E31 VanDerWaalsContact C-N 3.34Å; M29-E31 PolarHBondContact O-N 3.02Å; M29-K32 WeakPolarHBondContact O-CB 3.47Å; M29-K32 PolarHBondContact O-N 3.29Å; M29-K32 HydrophobicContact SD-CD 4.24Å; M29-E33 WeakPolarHBondContact O-CB 2.96Å; M29-E33 WeakPolarHBondContact O-CG 3.41Å; M29-E33 PolarHBondContact O-N 2.9Å; M29-V97 HydrophobicContact CE-CG1 3.64Å; M29-V97 HydrophobicContact SD-CG1 3.87Å
30	E	60.7	Low	53.1	Low	161 Å²	161	77.2 Å²	77.2	75%	0.752	39%	0.391	S	S	*	.	H	α-helix	trans	-61.4	-39.2	178.2	-62.8	172.1	-175.6	0	0	112.6	P28 A34	P28-E30 PolarHBondContact O-N 3.23Å; E30-A34 WeakPolarHBondContact O-CB 3.4Å; E30-A34 PolarHBondContact O-N 3.13Å
31	E	60.1	Low	53.3	Low	92 Å²	92	74.6 Å²	74.6	43%	0.43	38%	0.375	S	S	.	.	H	α-helix	trans	-73.7	-36	177.3	-73	173.9	-164.7	0	0	111.4	L27 P28 M29 L35	L27-E31 WeakPolarHBondContact CD2-OE2 3.4Å; P28-E31 WeakPolarHBondContact CD-OE2 3.47Å; P28-E31 HydrophobicContact CG-CB 4Å; P28-E31 HydrophobicContact CG-CG 3.69Å; P28-E31 WeakPolarHBondContact CG-OE1 3.5Å; P28-E31 PolarHBondContact O-N 3.46Å; M29-E31 VanDerWaalsContact C-N 3.34Å; M29-E31 PolarHBondContact O-N 3.02Å; E31-L35 WeakPolarHBondContact O-CB 3.48Å; E31-L35 WeakPolarHBondContact O-CD1 3.43Å; E31-L35 VanDerWaalsContact O-CG 3.24Å; E31-L35 WeakPolarHBondContact O-CG 3.5Å; E31-L35 PolarHBondContact O-N 2.84Å
32	K	59.9	Low	53.7	Low	18 Å²	18	75.3 Å²	75.3	8%	0.078	39%	0.391	C	S	.	.	H	α-helix	trans	-62.6	-52.1	172.8	-66.5	175	-179.2	165.2	0	110.8	M24 L27 P28 M29 A34 L35 F36	M24-K32 WeakPolarHBondContact O-CE 3.28Å; M24-K32 PolarHBondContact O-NZ 3.47Å; M24-K32 VanDerWaalsContact O-NZ 3.08Å; L27-K32 HydrophobicContact CB-CG 3.98Å; L27-K32 WeakPolarHBondContact O-CE 3.36Å; L27-K32 PolarHBondContact O-NZ 2.87Å; P28-K32 PolarHBondContact O-N 3.35Å; M29-K32 WeakPolarHBondContact O-CB 3.47Å; M29-K32 PolarHBondContact O-N 3.29Å; M29-K32 HydrophobicContact SD-CD 4.24Å; K32-A34 VanDerWaalsContact C-N 3.32Å; K32-A34 PolarHBondContact O-N 3.29Å; K32-L35 WeakPolarHBondContact O-CB 3.21Å; K32-L35 PolarHBondContact O-N 2.75Å; K32-F36 HydrophobicContact CB-CD2 4.35Å; K32-F36 HydrophobicContact CB-CE2 4.24Å; K32-F36 WeakPolarHBondContact O-CD2 3.46Å; K32-F36 PolarHBondContact O-N 3.2Å
33	E	56.8	Low	54	Low	123 Å²	123	74.7 Å²	74.7	58%	0.575	39%	0.388	S	S	*	.	H	α-helix	trans	-63.7	-37	179.6	-73.7	179.6	-174.6	0	0	112	M29 F36 G37	M29-E33 WeakPolarHBondContact O-CB 2.96Å; M29-E33 WeakPolarHBondContact O-CG 3.41Å; M29-E33 PolarHBondContact O-N 2.9Å; E33-F36 PolarHBondContact O-N 2.81Å; E33-G37 WeakPolarHBondContact O-CA 3.45Å; E33-G37 PolarHBondContact O-N 2.91Å
34	A	62.3	Low	54	Low	37 Å²	37	75.9 Å²	75.9	31%	0.306	40%	0.396	S	S	.	.	H	α-helix	trans	-65	-39.5	173.9	0	0	0	0	0	112.2	E30 K32 K38 Y58	E30-A34 WeakPolarHBondContact O-CB 3.4Å; E30-A34 PolarHBondContact O-N 3.13Å; K32-A34 VanDerWaalsContact C-N 3.32Å; K32-A34 PolarHBondContact O-N 3.29Å; A34-K38 WeakPolarHBondContact O-CB 3.17Å; A34-K38 WeakPolarHBondContact O-CG 3.36Å; A34-K38 PolarHBondContact O-N 3.32Å; A34-K38 VanDerWaalsContact O-N 3.15Å; A34-Y58 HydrophobicContact CB-CE1 4.36Å
35	L	59.8	Low	54.2	Low	24 Å²	24	76.9 Å²	76.9	13%	0.126	40%	0.403	C	S	.	.	H	α-helix	trans	-64.4	-50.1	173.3	-74.5	166	0	0	0	110.6	E31 K32 G37 K38 L39 Y58 L60	E31-L35 WeakPolarHBondContact O-CB 3.48Å; E31-L35 WeakPolarHBondContact O-CD1 3.43Å; E31-L35 VanDerWaalsContact O-CG 3.24Å; E31-L35 WeakPolarHBondContact O-CG 3.5Å; E31-L35 PolarHBondContact O-N 2.84Å; K32-L35 WeakPolarHBondContact O-CB 3.21Å; K32-L35 PolarHBondContact O-N 2.75Å; L35-G37 PolarHBondContact O-N 2.88Å; L35-K38 PolarHBondContact O-N 3.14Å; L35-L39 WeakPolarHBondContact O-CG 3.48Å; L35-L39 PolarHBondContact O-N 3.32Å; L35-Y58 HydrophobicContact CD2-CD2 4Å; L35-Y58 HydrophobicContact CD2-CE2 4.47Å; L35-Y58 HydrophobicContact CD2-CG 4.04Å; L35-L60 HydrophobicContact CD1-CD1 4.03Å; L35-L60 HydrophobicContact CD2-CD1 3.62Å; L35-L60 HydrophobicContact CG-CD1 4.47Å
36	F	58.4	Low	54.5	Low	13 Å²	13	74.1 Å²	74.1	6%	0.057	40%	0.402	C	S	.	.	H	α-helix	trans	-62.2	-43.8	178.7	-73.5	-66.4	0	0	0	112.2	M24 K32 E33 K38 L39 T40 L89 Y92 K93 V97	M24-F36 HydrophobicContact CE-CZ 4.46Å; K32-F36 HydrophobicContact CB-CD2 4.35Å; K32-F36 HydrophobicContact CB-CE2 4.24Å; K32-F36 WeakPolarHBondContact O-CD2 3.46Å; K32-F36 PolarHBondContact O-N 3.2Å; E33-F36 PolarHBondContact O-N 2.81Å; F36-K38 VanDerWaalsContact C-N 3.29Å; F36-K38 PolarHBondContact O-N 3.08Å; F36-L39 PolarHBondContact O-N 3.03Å; F36-L39 VanDerWaalsContact O-N 3.14Å; F36-T40 WeakPolarHBondContact O-CB 2.93Å; F36-T40 WeakPolarHBondContact O-CG2 3.18Å; F36-T40 PolarHBondContact O-N 3.15Å; F36-T40 PolarHBondContact O-OG1 2.75Å; F36-L89 HydrophobicContact CD1-CD2 4.09Å; F36-L89 HydrophobicContact CE1-CB 4.44Å; F36-L89 HydrophobicContact CE1-CD2 3.68Å; F36-Y92 HydrophobicContact CZ-CD1 4.07Å; F36-Y92 HydrophobicContact CZ-CE1 4.47Å; F36-K93 HydrophobicContact CD1-CD 4.36Å; F36-K93 HydrophobicContact CD1-CG 4.21Å; F36-K93 HydrophobicContact CD2-CG 4.25Å; F36-K93 HydrophobicContact CE1-CG 3.88Å; F36-K93 HydrophobicContact CE2-CG 4Å; F36-K93 HydrophobicContact CG-CD 4.38Å; F36-K93 HydrophobicContact CG-CG 4.39Å; F36-K93 HydrophobicContact CZ-CG 3.81Å; F36-V97 HydrophobicContact CE2-CG2 4.5Å
37	G	60	Low	54.8	Low	37 Å²	37	65.8 Å²	65.8	38%	0.381	38%	0.376	S	S	.	.	H	α-helix	trans	-58.6	-40	178.6	0	0	0	0	0	112.6	E33 L35 T40 S41	E33-G37 WeakPolarHBondContact O-CA 3.45Å; E33-G37 PolarHBondContact O-N 2.91Å; L35-G37 PolarHBondContact O-N 2.88Å; G37-T40 WeakPolarHBondContact CA-OG1 3.48Å; G37-T40 PolarHBondContact O-OG1 3.46Å; G37-S41 PolarHBondContact O-N 3.41Å; G37-S41 VanDerWaalsContact O-N 3.08Å; G37-S41 PolarHBondContact O-OG 2.85Å
38	K	56.1	Low	55.1	Low	67 Å²	67	69.3 Å²	69.3	29%	0.291	39%	0.391	S	S	.	.	H	α-helix	trans	-75.6	-29.7	175.9	-76.8	-173	171.6	-178.7	0	114.1	A34 L35 F36 S41 L54 Y58	A34-K38 WeakPolarHBondContact O-CB 3.17Å; A34-K38 WeakPolarHBondContact O-CG 3.36Å; A34-K38 PolarHBondContact O-N 3.32Å; A34-K38 VanDerWaalsContact O-N 3.15Å; L35-K38 PolarHBondContact O-N 3.14Å; F36-K38 VanDerWaalsContact C-N 3.29Å; F36-K38 PolarHBondContact O-N 3.08Å; K38-S41 WeakPolarHBondContact CA-OG 3.27Å; K38-S41 PolarHBondContact O-OG 3.34Å; K38-L54 HydrophobicContact CD-CD2 3.89Å; K38-Y58 HydrophobicContact CD-CE2 3.65Å; K38-Y58 WeakPolarHBondContact CD-OH 3.42Å; K38-Y58 WeakPolarHBondContact CE-OH 3.06Å; K38-Y58 VanDerWaalsContact NZ-CE2 3.34Å; K38-Y58 PolarHBondContact NZ-OH 3.32Å
39	L	55	Low	55.3	Low	25 Å²	25	72.2 Å²	72.2	13%	0.131	40%	0.403	C	S	.	.	H	α-helix	trans	-74.8	-28.2	173.5	-65.4	168.8	0	0	0	111.7	L35 F36 F51 Y77 L89	L35-L39 WeakPolarHBondContact O-CG 3.48Å; L35-L39 PolarHBondContact O-N 3.32Å; F36-L39 PolarHBondContact O-N 3.03Å; F36-L39 VanDerWaalsContact O-N 3.14Å; L39-F51 HydrophobicContact CD2-CD2 4.28Å; L39-F51 HydrophobicContact CD2-CE2 4.18Å; L39-Y77 WeakPolarHBondContact CB-OH 3.27Å; L39-Y77 HydrophobicContact CD2-CE1 4.4Å; L39-Y77 HydrophobicContact CD2-CE2 4.22Å; L39-Y77 WeakPolarHBondContact CD2-OH 3.17Å; L39-L89 HydrophobicContact CB-CD1 4.39Å
40	T	50.3	Low	55.5	Low	56 Å²	56	71.8 Å²	71.8	34%	0.344	40%	0.4	S	S	.	.	H	α-helix	trans	-89.8	-12.3	177.8	54.8	0	0	0	0	114.3	F36 G37 L86	F36-T40 WeakPolarHBondContact O-CB 2.93Å; F36-T40 WeakPolarHBondContact O-CG2 3.18Å; F36-T40 PolarHBondContact O-N 3.15Å; F36-T40 PolarHBondContact O-OG1 2.75Å; G37-T40 WeakPolarHBondContact CA-OG1 3.48Å; G37-T40 PolarHBondContact O-OG1 3.46Å; T40-L86 HydrophobicContact CG2-CD1 4.42Å; T40-L86 HydrophobicContact CG2-CG 4.21Å
41	S	45.3	Very low	55.5	Low	48 Å²	48	64.5 Å²	64.5	34%	0.336	37%	0.366	S	S	.	.	S	Bend	trans	-72.1	132.1	174	40.1	0	0	0	0	110.2	G37 K38 S43	G37-S41 PolarHBondContact O-N 3.41Å; G37-S41 VanDerWaalsContact O-N 3.08Å; G37-S41 PolarHBondContact O-OG 2.85Å; K38-S41 WeakPolarHBondContact CA-OG 3.27Å; K38-S41 PolarHBondContact O-OG 3.34Å; S41-S43 PolarHBondContact O-N 2.86Å
42	P	44.3	Very low	55.5	Low	132 Å²	132	62.9 Å²	62.9	86%	0.857	36%	0.36	S	S	*	.			trans	-70.6	21.3	-176	30	-36.3	0	0	0	114.3	T44	P42-T44 PolarHBondContact O-N 2.98Å
43	S	44.5	Very low	55.7	Low	73 Å²	73	64.8 Å²	64.8	51%	0.51	38%	0.379	S	S	.	.	S	Bend	trans	-75.8	82.6	164.5	59.7	0	0	0	0	107.8	S41 V45	S41-S43 PolarHBondContact O-N 2.86Å; S43-V45 VanDerWaalsContact C-N 3.34Å; S43-V45 PolarHBondContact O-N 3.45Å
44	T	47.7	Very low	55.8	Low	88 Å²	88	60.5 Å²	60.5	54%	0.54	36%	0.36	S	S	.	.			trans	7.3	75.2	150.2	52.4	0	0	0	0	114.3	P42 D46	P42-T44 PolarHBondContact O-N 2.98Å; T44-D46 WeakPolarHBondContact CB-OD1 3.38Å; T44-D46 WeakPolarHBondContact CB-OD2 3.41Å; T44-D46 PolarHBondContact O-N 3.19Å
45	V	51.5	Low	55.7	Low	36 Å²	36	59.9 Å²	59.9	22%	0.218	35%	0.35	C	S	.	.			trans	-77.1	68.5	162.7	-173.5	0	0	0	0	105.3	S43 S47 E50 F51 L54	S43-V45 VanDerWaalsContact C-N 3.34Å; S43-V45 PolarHBondContact O-N 3.45Å; V45-S47 PolarHBondContact O-N 2.89Å; V45-E50 WeakPolarHBondContact CA-OE2 3.31Å; V45-E50 HydrophobicContact CG1-CB 3.8Å; V45-F51 HydrophobicContact CG1-CB 3.89Å; V45-L54 HydrophobicContact CG2-CD1 4.09Å
46	D	53.9	Low	55.7	Low	135 Å²	135	64.8 Å²	64.8	72%	0.722	37%	0.374	S	S	*	.			trans	-75.1	-15.8	-172.4	-75.2	-12.7	0	0	0	110.9	T44	T44-D46 WeakPolarHBondContact CB-OD1 3.38Å; T44-D46 WeakPolarHBondContact CB-OD2 3.41Å; T44-D46 PolarHBondContact O-N 3.19Å
47	S	56.5	Low	55.6	Low	37 Å²	37	70.3 Å²	70.3	26%	0.259	40%	0.4	S	S	.	.	S	Bend	trans	-126.7	144.3	-173.6	68.7	0	0	0	0	112.3	V45 D49 E50 F51	V45-S47 PolarHBondContact O-N 2.89Å; S47-D49 PolarHBondContact O-N 2.82Å; S47-E50 PolarHBondContact O-N 3.18Å; S47-E50 VanDerWaalsContact OG-CG 3.32Å; S47-E50 WeakPolarHBondContact OG-CG 3.15Å; S47-E50 PolarHBondContact OG-N 3.41Å; S47-E50 PolarHBondContact OG-OE1 3.17Å; S47-F51 PolarHBondContact O-N 3.21Å
48	K	60.8	Low	55.2	Low	99 Å²	99	72.1 Å²	72.1	43%	0.43	40%	0.396	S	S	.	.	H	α-helix	trans	-53.5	-32.6	169.2	-177.7	159.5	-178.5	164.3	0	112.2	F51 D52 F78	K48-F51 PolarHBondContact O-N 2.95Å; K48-D52 WeakPolarHBondContact O-CB 3.37Å; K48-D52 PolarHBondContact O-N 3.37Å; K48-F78 HydrophobicContact CB-CE1 3.53Å; K48-F78 HydrophobicContact CB-CZ 3.42Å; K48-F78 VanDerWaalsContact CB-CZ 3.42Å; K48-F78 HydrophobicContact CD-CE1 4.2Å; K48-F78 HydrophobicContact CD-CE2 4.15Å; K48-F78 HydrophobicContact CD-CZ 3.68Å; K48-F78 HydrophobicContact CG-CE1 4.09Å; K48-F78 HydrophobicContact CG-CE2 4.29Å; K48-F78 HydrophobicContact CG-CZ 3.49Å; K48-F78 VanDerWaalsContact CG-CZ 3.49Å
49	D	61.6	Low	54.9	Low	124 Å²	124	71.4 Å²	71.4	66%	0.663	41%	0.408	S	S	*	.	H	α-helix	trans	-67.9	-36.3	-177.5	-58.6	-36.4	0	0	0	111.8	S47 D52 A53	S47-D49 PolarHBondContact O-N 2.82Å; D49-D52 PolarHBondContact O-N 2.79Å; D49-A53 VanDerWaalsContact O-CB 3.23Å; D49-A53 WeakPolarHBondContact O-CB 3.38Å; D49-A53 PolarHBondContact O-N 3.29Å
50	E	60.1	Low	54.9	Low	82 Å²	82	70.7 Å²	70.7	38%	0.383	40%	0.404	S	S	.	.	H	α-helix	trans	-70.4	-37.5	174.6	-75.5	167.9	-122.9	0	0	112.3	V45 S47 A53 L54	V45-E50 WeakPolarHBondContact CA-OE2 3.31Å; V45-E50 HydrophobicContact CG1-CB 3.8Å; S47-E50 PolarHBondContact O-N 3.18Å; S47-E50 VanDerWaalsContact OG-CG 3.32Å; S47-E50 WeakPolarHBondContact OG-CG 3.15Å; S47-E50 PolarHBondContact OG-N 3.41Å; S47-E50 PolarHBondContact OG-OE1 3.17Å; E50-A53 PolarHBondContact O-N 3.05Å; E50-L54 WeakPolarHBondContact O-CB 3.09Å; E50-L54 WeakPolarHBondContact O-CG 3.37Å; E50-L54 PolarHBondContact O-N 3.42Å
51	F	60.1	Low	54.9	Low	9 Å²	9	69.6 Å²	69.6	4%	0.039	40%	0.398	C	S	.	.	H	α-helix	trans	-66.3	-42.3	173.4	179.6	-114.5	0	0	0	111.7	L39 V45 S47 K48 A53 L54 K55 L73	L39-F51 HydrophobicContact CD2-CD2 4.28Å; L39-F51 HydrophobicContact CD2-CE2 4.18Å; V45-F51 HydrophobicContact CG1-CB 3.89Å; S47-F51 PolarHBondContact O-N 3.21Å; K48-F51 PolarHBondContact O-N 2.95Å; F51-A53 VanDerWaalsContact C-N 3.34Å; F51-L54 WeakPolarHBondContact O-CB 3.42Å; F51-L54 PolarHBondContact O-N 3.3Å; F51-K55 HydrophobicContact CE1-CD 4.28Å; F51-K55 WeakPolarHBondContact O-CG 3.25Å; F51-K55 PolarHBondContact O-N 2.76Å; F51-L73 HydrophobicContact CE1-CB 4.27Å; F51-L73 HydrophobicContact CE2-CB 4.48Å; F51-L73 HydrophobicContact CE2-CD1 3.85Å; F51-L73 HydrophobicContact CZ-CB 3.67Å; F51-L73 HydrophobicContact CZ-CD1 3.5Å; F51-L73 VanDerWaalsContact CZ-CD1 3.5Å; F51-L73 HydrophobicContact CZ-CG 4.09Å
52	D	61.4	Low	55.2	Low	58 Å²	58	73.4 Å²	73.4	31%	0.31	41%	0.414	S	S	.	.	H	α-helix	trans	-68.1	-34	174.4	-74.4	-24.2	0	0	0	111.3	K48 D49 K55 M56	K48-D52 WeakPolarHBondContact O-CB 3.37Å; K48-D52 PolarHBondContact O-N 3.37Å; D49-D52 PolarHBondContact O-N 2.79Å; D52-K55 WeakPolarHBondContact O-CB 3.31Å; D52-K55 PolarHBondContact O-N 3.49Å; D52-K55 IonicContact OD1-NZ 2.9Å; D52-M56 VanDerWaalsContact O-CG 3.24Å; D52-M56 WeakPolarHBondContact O-CG 3.18Å; D52-M56 PolarHBondContact O-N 2.78Å
53	A	63.6	Low	55.3	Low	58 Å²	58	73.4 Å²	73.4	48%	0.479	40%	0.403	S	S	.	.	H	α-helix	trans	-65	-40.4	171.7	0	0	0	0	0	112.1	D49 E50 F51 M56 Q57	D49-A53 VanDerWaalsContact O-CB 3.23Å; D49-A53 WeakPolarHBondContact O-CB 3.38Å; D49-A53 PolarHBondContact O-N 3.29Å; E50-A53 PolarHBondContact O-N 3.05Å; F51-A53 VanDerWaalsContact C-N 3.34Å; A53-M56 PolarHBondContact O-N 2.93Å; A53-Q57 WeakPolarHBondContact O-CB 2.79Å; A53-Q57 PolarHBondContact O-N 3.3Å
54	L	58.6	Low	55.6	Low	33 Å²	33	70.5 Å²	70.5	17%	0.173	38%	0.381	C	S	.	.	H	α-helix	trans	-62.2	-43.2	171.8	-82.9	160.4	0	0	0	111.3	K38 V45 E50 F51 M56 Q57 Y58	K38-L54 HydrophobicContact CD-CD2 3.89Å; V45-L54 HydrophobicContact CG2-CD1 4.09Å; E50-L54 WeakPolarHBondContact O-CB 3.09Å; E50-L54 WeakPolarHBondContact O-CG 3.37Å; E50-L54 PolarHBondContact O-N 3.42Å; F51-L54 WeakPolarHBondContact O-CB 3.42Å; F51-L54 PolarHBondContact O-N 3.3Å; L54-M56 VanDerWaalsContact C-N 3.3Å; L54-M56 PolarHBondContact O-N 3.01Å; L54-Q57 PolarHBondContact O-N 3.4Å; L54-Y58 HydrophobicContact CD2-CE2 4.23Å; L54-Y58 WeakPolarHBondContact O-CD2 3.15Å; L54-Y58 PolarHBondContact O-N 2.83Å; L54-Y58 VanDerWaalsContact O-N 3.16Å
55	K	59.9	Low	55.7	Low	23 Å²	23	71.8 Å²	71.8	10%	0.1	38%	0.38	C	S	.	.	H	α-helix	trans	-57.8	-44	172.9	-73.2	-179.8	-176.8	173.1	0	111.7	F51 D52 Y58 G59 L60 D70	F51-K55 HydrophobicContact CE1-CD 4.28Å; F51-K55 WeakPolarHBondContact O-CG 3.25Å; F51-K55 PolarHBondContact O-N 2.76Å; D52-K55 WeakPolarHBondContact O-CB 3.31Å; D52-K55 PolarHBondContact O-N 3.49Å; D52-K55 IonicContact OD1-NZ 2.9Å; K55-Y58 PolarHBondContact O-N 2.8Å; K55-G59 PolarHBondContact O-N 3.21Å; K55-L60 HydrophobicContact CB-CB 4.18Å; K55-L60 HydrophobicContact CG-CB 4.49Å; K55-L60 VanDerWaalsContact O-CB 3.31Å; K55-L60 WeakPolarHBondContact O-CB 3.37Å; K55-L60 PolarHBondContact O-N 2.88Å; K55-D70 IonicContact NZ-OD1 3.76Å; K55-D70 PolarHBondContact NZ-OD1 3.09Å
56	M	59.3	Low	55.6	Low	128 Å²	128	76.8 Å²	76.8	63%	0.631	40%	0.4	S	S	*	.	H	α-helix	trans	-65.7	-40.2	178.3	-69.2	-66.1	-71.8	0	0	111.9	D52 A53 L54 Y58 G59 P61	D52-M56 VanDerWaalsContact O-CG 3.24Å; D52-M56 WeakPolarHBondContact O-CG 3.18Å; D52-M56 PolarHBondContact O-N 2.78Å; A53-M56 PolarHBondContact O-N 2.93Å; L54-M56 VanDerWaalsContact C-N 3.3Å; L54-M56 PolarHBondContact O-N 3.01Å; M56-Y58 VanDerWaalsContact C-N 3.3Å; M56-Y58 PolarHBondContact O-N 3.08Å; M56-G59 PolarHBondContact O-N 3.17Å; M56-P61 HydrophobicContact SD-CB 3.67Å; M56-P61 HydrophobicContact SD-CG 3.71Å
57	Q	57.4	Low	55.4	Low	129 Å²	129	70.6 Å²	70.6	60%	0.603	37%	0.367	S	S	*	.	H	α-helix	trans	-61.8	-37.1	179.4	-174.2	178.1	40.4	0	0	112.6	A53 L54	A53-Q57 WeakPolarHBondContact O-CB 2.79Å; A53-Q57 PolarHBondContact O-N 3.3Å; L54-Q57 PolarHBondContact O-N 3.4Å
58	Y	50.8	Low	55.3	Low	75 Å²	75	70.8 Å²	70.8	29%	0.294	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	12.4	-176.8	-79	-80.6	0	0	0	114.1	A34 L35 K38 L54 K55 M56 L60	A34-Y58 HydrophobicContact CB-CE1 4.36Å; L35-Y58 HydrophobicContact CD2-CD2 4Å; L35-Y58 HydrophobicContact CD2-CE2 4.47Å; L35-Y58 HydrophobicContact CD2-CG 4.04Å; K38-Y58 HydrophobicContact CD-CE2 3.65Å; K38-Y58 WeakPolarHBondContact CD-OH 3.42Å; K38-Y58 WeakPolarHBondContact CE-OH 3.06Å; K38-Y58 VanDerWaalsContact NZ-CE2 3.34Å; K38-Y58 PolarHBondContact NZ-OH 3.32Å; L54-Y58 HydrophobicContact CD2-CE2 4.23Å; L54-Y58 WeakPolarHBondContact O-CD2 3.15Å; L54-Y58 PolarHBondContact O-N 2.83Å; L54-Y58 VanDerWaalsContact O-N 3.16Å; K55-Y58 PolarHBondContact O-N 2.8Å; M56-Y58 VanDerWaalsContact C-N 3.3Å; M56-Y58 PolarHBondContact O-N 3.08Å; Y58-L60 PolarHBondContact O-N 3.08Å
59	G	50.6	Low	55	Low	52 Å²	52	66.5 Å²	66.5	54%	0.536	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	19.5	-179.9	0	0	0	0	0	113.5	K55 M56 P61	K55-G59 PolarHBondContact O-N 3.21Å; M56-G59 PolarHBondContact O-N 3.17Å; G59-P61 VanDerWaalsContact O-CD 3.28Å; G59-P61 WeakPolarHBondContact O-CD 3.41Å
60	L	54.1	Low	54.9	Low	10 Å²	10	62 Å²	62	5%	0.052	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.1	-178	-67.8	165.4	0	0	0	116.9	L35 K55 Y58 N62 L64	L35-L60 HydrophobicContact CD1-CD1 4.03Å; L35-L60 HydrophobicContact CD2-CD1 3.62Å; L35-L60 HydrophobicContact CG-CD1 4.47Å; K55-L60 HydrophobicContact CB-CB 4.18Å; K55-L60 HydrophobicContact CG-CB 4.49Å; K55-L60 VanDerWaalsContact O-CB 3.31Å; K55-L60 WeakPolarHBondContact O-CB 3.37Å; K55-L60 PolarHBondContact O-N 2.88Å; Y58-L60 PolarHBondContact O-N 3.08Å; L60-N62 PolarHBondContact O-N 2.98Å; L60-L64 HydrophobicContact CB-CD1 3.77Å; L60-L64 HydrophobicContact CB-CG 4.29Å; L60-L64 HydrophobicContact CD1-CD1 3.65Å; L60-L64 HydrophobicContact CD2-CD1 3.44Å; L60-L64 VanDerWaalsContact CD2-CD1 3.44Å; L60-L64 HydrophobicContact CD2-CG 3.72Å; L60-L64 HydrophobicContact CG-CD1 3.8Å; L60-L64 HydrophobicContact CG-CG 4.46Å; L60-L64 PolarHBondContact O-N 2.81Å
61	P	51.2	Low	54.9	Low	33 Å²	33	61 Å²	61	21%	0.214	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.2	-168.2	30.7	-34.9	0	0	0	113.3	M56 G59 K65	M56-P61 HydrophobicContact SD-CB 3.67Å; M56-P61 HydrophobicContact SD-CG 3.71Å; G59-P61 VanDerWaalsContact O-CD 3.28Å; G59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-K65 WeakPolarHBondContact O-CD 3.43Å; P61-K65 WeakPolarHBondContact O-CE 3.48Å; P61-K65 VanDerWaalsContact O-CG 3.27Å; P61-K65 WeakPolarHBondContact O-CG 3.19Å; P61-K65 PolarHBondContact O-NZ 2.86Å
62	N	50.4	Low	54.9	Low	128 Å²	128	62.4 Å²	62.4	68%	0.684	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-23.9	179.2	-66.8	-23.2	0	0	0	113.6	L60	L60-N62 PolarHBondContact O-N 2.98Å
63	E	48	Very low	54.9	Low	132 Å²	132	59.8 Å²	59.8	62%	0.617	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-26.3	-177.9	-60.4	-163	167.3	0	0	113.3
64	L	50.5	Low	54.8	Low	11 Å²	11	59.8 Å²	59.8	6%	0.058	32%	0.316	C	S	.	.	S	Bend	trans	-89.2	-19	176.6	-82.5	177.1	0	0	0	113.7	L60 H66 S67 L69 D70	L60-L64 HydrophobicContact CB-CD1 3.77Å; L60-L64 HydrophobicContact CB-CG 4.29Å; L60-L64 HydrophobicContact CD1-CD1 3.65Å; L60-L64 HydrophobicContact CD2-CD1 3.44Å; L60-L64 VanDerWaalsContact CD2-CD1 3.44Å; L60-L64 HydrophobicContact CD2-CG 3.72Å; L60-L64 HydrophobicContact CG-CD1 3.8Å; L60-L64 HydrophobicContact CG-CG 4.46Å; L60-L64 PolarHBondContact O-N 2.81Å; L64-H66 PolarHBondContact O-N 3.42Å; L64-S67 WeakPolarHBondContact CD2-OG 3.35Å; L64-S67 WeakPolarHBondContact O-CB 3.24Å; L64-S67 PolarHBondContact O-N 3.3Å; L64-S67 PolarHBondContact O-OG 3.42Å; L64-L69 HydrophobicContact CD1-CD2 4.26Å; L64-L69 HydrophobicContact CD2-CB 3.93Å; L64-L69 HydrophobicContact CD2-CD2 3.84Å; L64-L69 HydrophobicContact CD2-CG 4.46Å; L64-D70 HydrophobicContact CB-CB 4.41Å; L64-D70 WeakPolarHBondContact O-CB 3.47Å
65	K	48.7	Very low	54.9	Low	116 Å²	116	61 Å²	61	50%	0.504	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	112.6	172.8	-73.1	178.9	-177.7	143.8	0	107.3	P61	P61-K65 WeakPolarHBondContact O-CD 3.43Å; P61-K65 WeakPolarHBondContact O-CE 3.48Å; P61-K65 VanDerWaalsContact O-CG 3.27Å; P61-K65 WeakPolarHBondContact O-CG 3.19Å; P61-K65 PolarHBondContact O-NZ 2.86Å
66	H	49	Very low	54.8	Low	141 Å²	141	62.4 Å²	62.4	65%	0.653	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	8.5	-173.9	-41.7	-64.9	0	0	0	117.2	L64	L64-H66 PolarHBondContact O-N 3.42Å
67	S	51.1	Low	54.7	Low	4 Å²	4	58 Å²	58	3%	0.028	31%	0.311	C	S	.	.			trans	-78.9	155.1	171.7	70.5	0	0	0	0	112	L64 L69 D70 A71	L64-S67 WeakPolarHBondContact CD2-OG 3.35Å; L64-S67 WeakPolarHBondContact O-CB 3.24Å; L64-S67 PolarHBondContact O-N 3.3Å; L64-S67 PolarHBondContact O-OG 3.42Å; S67-L69 PolarHBondContact O-N 3.46Å; S67-D70 PolarHBondContact O-N 2.88Å; S67-D70 WeakPolarHBondContact OG-CB 3.48Å; S67-D70 PolarHBondContact OG-N 2.75Å; S67-A71 PolarHBondContact O-N 3Å; S67-A71 VanDerWaalsContact O-N 3.1Å
68	S	54.1	Low	54.4	Low	41 Å²	41	56.2 Å²	56.2	29%	0.287	30%	0.301	S	S	.	.	H	α-helix	trans	-61.5	-27.8	172.5	55.6	0	0	0	0	112.5	F72	S68-F72 WeakPolarHBondContact O-CB 3.45Å; S68-F72 PolarHBondContact O-N 3.44Å
69	L	55.1	Low	54.4	Low	10 Å²	10	59 Å²	59	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-71.8	-40.9	175.4	-168.3	83.6	0	0	0	111.4	M24 L64 S67 A71 F72 L73 Y92	M24-L69 HydrophobicContact CE-CD1 3.97Å; M24-L69 HydrophobicContact CE-CD2 4.03Å; M24-L69 HydrophobicContact CE-CG 4.44Å; M24-L69 HydrophobicContact CG-CB 4Å; M24-L69 HydrophobicContact SD-CB 4.2Å; M24-L69 HydrophobicContact SD-CD1 4.46Å; M24-L69 HydrophobicContact SD-CD2 3.68Å; M24-L69 HydrophobicContact SD-CG 4.3Å; L64-L69 HydrophobicContact CD1-CD2 4.26Å; L64-L69 HydrophobicContact CD2-CB 3.93Å; L64-L69 HydrophobicContact CD2-CD2 3.84Å; L64-L69 HydrophobicContact CD2-CG 4.46Å; S67-L69 PolarHBondContact O-N 3.46Å; L69-A71 VanDerWaalsContact C-N 3.33Å; L69-A71 PolarHBondContact O-N 2.79Å; L69-F72 PolarHBondContact O-N 2.89Å; L69-L73 HydrophobicContact CD1-CD1 4.29Å; L69-L73 HydrophobicContact CD1-CG 4.48Å; L69-L73 HydrophobicContact CD2-CD1 3.7Å; L69-L73 HydrophobicContact CG-CD1 3.59Å; L69-L73 HydrophobicContact CG-CG 4.08Å; L69-L73 VanDerWaalsContact O-CB 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 2.91Å; L69-Y92 HydrophobicContact CD1-CD1 4.25Å; L69-Y92 HydrophobicContact CD1-CE1 3.74Å; L69-Y92 HydrophobicContact CD1-CE2 4.25Å
70	D	59.6	Low	54.3	Low	29 Å²	29	57.5 Å²	57.5	16%	0.155	30%	0.304	C	S	.	.	H	α-helix	trans	-67.4	-35.8	175.8	-173.5	62.7	0	0	0	111.7	K55 L64 S67 N74	K55-D70 IonicContact NZ-OD1 3.76Å; K55-D70 PolarHBondContact NZ-OD1 3.09Å; L64-D70 HydrophobicContact CB-CB 4.41Å; L64-D70 WeakPolarHBondContact O-CB 3.47Å; S67-D70 PolarHBondContact O-N 2.88Å; S67-D70 WeakPolarHBondContact OG-CB 3.48Å; S67-D70 PolarHBondContact OG-N 2.75Å; D70-N74 VanDerWaalsContact CG-ND2 3.29Å; D70-N74 WeakPolarHBondContact O-CB 3.06Å; D70-N74 VanDerWaalsContact O-CG 3.22Å; D70-N74 PolarHBondContact O-N 3.34Å; D70-N74 PolarHBondContact O-ND2 2.99Å; D70-N74 PolarHBondContact OD1-ND2 3.18Å; D70-N74 VanDerWaalsContact OD1-ND2 3.17Å; D70-N74 PolarHBondContact OD2-ND2 3.18Å
71	A	60.1	Low	53.8	Low	60 Å²	60	63.2 Å²	63.2	50%	0.496	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-45.5	171.4	0	0	0	0	0	111.9	S67 L69 S75	S67-A71 PolarHBondContact O-N 3Å; S67-A71 VanDerWaalsContact O-N 3.1Å; L69-A71 VanDerWaalsContact C-N 3.33Å; L69-A71 PolarHBondContact O-N 2.79Å; A71-S75 VanDerWaalsContact O-CB 3.23Å; A71-S75 WeakPolarHBondContact O-CB 3.48Å; A71-S75 PolarHBondContact O-N 2.85Å; A71-S75 PolarHBondContact O-OG 3.32Å; A71-S75 VanDerWaalsContact O-OG 3.04Å
72	F	60.2	Low	53.6	Low	39 Å²	39	63.9 Å²	63.9	17%	0.171	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-52.9	178.2	174.6	-102.6	0	0	0	111.5	S68 L69 S75 Q76 E88 L89	S68-F72 WeakPolarHBondContact O-CB 3.45Å; S68-F72 PolarHBondContact O-N 3.44Å; L69-F72 PolarHBondContact O-N 2.89Å; F72-S75 PolarHBondContact O-N 3.37Å; F72-S75 VanDerWaalsContact O-N 3.16Å; F72-S75 PolarHBondContact O-OG 2.86Å; F72-Q76 HydrophobicContact CD2-CG 4.35Å; F72-Q76 HydrophobicContact CE2-CG 4.17Å; F72-Q76 WeakPolarHBondContact O-CB 3.19Å; F72-Q76 PolarHBondContact O-N 2.93Å; F72-E88 HydrophobicContact CE2-CB 4.04Å; F72-E88 HydrophobicContact CZ-CB 3.61Å; F72-L89 HydrophobicContact CE1-CD2 3.96Å; F72-L89 HydrophobicContact CE1-CG 4.37Å
73	L	60.5	Low	53.3	Low	4 Å²	4	62.5 Å²	62.5	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-47.5	178.2	-63.4	171.7	0	0	0	110.4	F51 L69 S75 Q76 Y77 L89	F51-L73 HydrophobicContact CE1-CB 4.27Å; F51-L73 HydrophobicContact CE2-CB 4.48Å; F51-L73 HydrophobicContact CE2-CD1 3.85Å; F51-L73 HydrophobicContact CZ-CB 3.67Å; F51-L73 HydrophobicContact CZ-CD1 3.5Å; F51-L73 VanDerWaalsContact CZ-CD1 3.5Å; F51-L73 HydrophobicContact CZ-CG 4.09Å; L69-L73 HydrophobicContact CD1-CD1 4.29Å; L69-L73 HydrophobicContact CD1-CG 4.48Å; L69-L73 HydrophobicContact CD2-CD1 3.7Å; L69-L73 HydrophobicContact CG-CD1 3.59Å; L69-L73 HydrophobicContact CG-CG 4.08Å; L69-L73 VanDerWaalsContact O-CB 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 2.91Å; L73-S75 PolarHBondContact O-N 3.39Å; L73-Q76 PolarHBondContact O-N 3.33Å; L73-Y77 HydrophobicContact CB-CD2 4.28Å; L73-Y77 HydrophobicContact CD2-CD2 3.39Å; L73-Y77 HydrophobicContact CD2-CE2 3.44Å; L73-Y77 VanDerWaalsContact CD2-CE2 3.44Å; L73-Y77 HydrophobicContact CG-CD2 4.42Å; L73-Y77 WeakPolarHBondContact O-CB 3.19Å; L73-Y77 PolarHBondContact O-N 2.93Å; L73-L89 HydrophobicContact CD2-CD2 4.26Å
74	N	61.9	Low	53.4	Low	58 Å²	58	58.7 Å²	58.7	31%	0.31	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-29.1	176.9	-75.6	-46.6	0	0	0	113.7	D70	D70-N74 VanDerWaalsContact CG-ND2 3.29Å; D70-N74 WeakPolarHBondContact O-CB 3.06Å; D70-N74 VanDerWaalsContact O-CG 3.22Å; D70-N74 PolarHBondContact O-N 3.34Å; D70-N74 PolarHBondContact O-ND2 2.99Å; D70-N74 PolarHBondContact OD1-ND2 3.18Å; D70-N74 VanDerWaalsContact OD1-ND2 3.17Å; D70-N74 PolarHBondContact OD2-ND2 3.18Å
75	S	61.6	Low	53.3	Low	58 Å²	58	58.7 Å²	58.7	41%	0.406	33%	0.331	S	S	.	.	H	α-helix	trans	-79.2	-33	178.9	68.1	0	0	0	0	113.5	A71 F72 L73 N79	A71-S75 VanDerWaalsContact O-CB 3.23Å; A71-S75 WeakPolarHBondContact O-CB 3.48Å; A71-S75 PolarHBondContact O-N 2.85Å; A71-S75 PolarHBondContact O-OG 3.32Å; A71-S75 VanDerWaalsContact O-OG 3.04Å; F72-S75 PolarHBondContact O-N 3.37Å; F72-S75 VanDerWaalsContact O-N 3.16Å; F72-S75 PolarHBondContact O-OG 2.86Å; L73-S75 PolarHBondContact O-N 3.39Å; S75-N79 PolarHBondContact O-ND2 3.29Å
76	Q	57.8	Low	53.4	Low	52 Å²	52	56.6 Å²	56.6	24%	0.243	33%	0.325	C	S	.	.	H	α-helix	trans	-109.7	-38.4	-171	-62.6	-72.2	29.7	0	0	113.2	F72 L73 F78 N79 A80 L85 E88	F72-Q76 HydrophobicContact CD2-CG 4.35Å; F72-Q76 HydrophobicContact CE2-CG 4.17Å; F72-Q76 WeakPolarHBondContact O-CB 3.19Å; F72-Q76 PolarHBondContact O-N 2.93Å; L73-Q76 PolarHBondContact O-N 3.33Å; Q76-F78 PolarHBondContact O-N 3.36Å; Q76-N79 PolarHBondContact O-N 3.45Å; Q76-N79 VanDerWaalsContact O-N 3.09Å; Q76-A80 VanDerWaalsContact O-CB 3.25Å; Q76-A80 WeakPolarHBondContact O-CB 3.47Å; Q76-A80 PolarHBondContact O-N 3.24Å; Q76-L85 VanDerWaalsContact C-CD2 3.47Å; Q76-L85 HydrophobicContact CB-CD2 3.66Å; Q76-E88 WeakPolarHBondContact CG-OE2 3.31Å; Q76-E88 PolarHBondContact NE2-OE1 3.15Å; Q76-E88 PolarHBondContact NE2-OE2 3.5Å
77	Y	55.3	Low	53.6	Low	35 Å²	35	56.5 Å²	56.5	14%	0.137	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.9	-176.8	-112.6	-101.1	0	0	0	113.6	L39 L73 L85	L39-Y77 WeakPolarHBondContact CB-OH 3.27Å; L39-Y77 HydrophobicContact CD2-CE1 4.4Å; L39-Y77 HydrophobicContact CD2-CE2 4.22Å; L39-Y77 WeakPolarHBondContact CD2-OH 3.17Å; L73-Y77 HydrophobicContact CB-CD2 4.28Å; L73-Y77 HydrophobicContact CD2-CD2 3.39Å; L73-Y77 HydrophobicContact CD2-CE2 3.44Å; L73-Y77 VanDerWaalsContact CD2-CE2 3.44Å; L73-Y77 HydrophobicContact CG-CD2 4.42Å; L73-Y77 WeakPolarHBondContact O-CB 3.19Å; L73-Y77 PolarHBondContact O-N 2.93Å; Y77-L85 HydrophobicContact CD1-CD1 4.15Å; Y77-L85 HydrophobicContact CD2-CD1 4Å; Y77-L85 HydrophobicContact CD2-CD2 3.83Å; Y77-L85 HydrophobicContact CD2-CG 4.5Å; Y77-L85 HydrophobicContact CE1-CD1 4.32Å; Y77-L85 HydrophobicContact CE2-CD1 4.18Å; Y77-L85 HydrophobicContact CE2-CD2 4.3Å; Y77-L85 HydrophobicContact CG-CD1 3.97Å; Y77-L85 HydrophobicContact CG-CD2 4.36Å
78	F	52	Low	53.8	Low	92 Å²	92	58.9 Å²	58.9	40%	0.404	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-4.1	-178.6	-65.6	-72.3	0	0	0	114.5	K48 Q76	K48-F78 HydrophobicContact CB-CE1 3.53Å; K48-F78 HydrophobicContact CB-CZ 3.42Å; K48-F78 VanDerWaalsContact CB-CZ 3.42Å; K48-F78 HydrophobicContact CD-CE1 4.2Å; K48-F78 HydrophobicContact CD-CE2 4.15Å; K48-F78 HydrophobicContact CD-CZ 3.68Å; K48-F78 HydrophobicContact CG-CE1 4.09Å; K48-F78 HydrophobicContact CG-CE2 4.29Å; K48-F78 HydrophobicContact CG-CZ 3.49Å; K48-F78 VanDerWaalsContact CG-CZ 3.49Å; Q76-F78 PolarHBondContact O-N 3.36Å
79	N	51.5	Low	54	Low	135 Å²	135	57 Å²	57	72%	0.722	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-12	-177.4	-67.2	-42.1	0	0	0	113.6	S75 Q76	S75-N79 PolarHBondContact O-ND2 3.29Å; Q76-N79 PolarHBondContact O-N 3.45Å; Q76-N79 VanDerWaalsContact O-N 3.09Å
80	A	48.1	Very low	54.1	Low	20 Å²	20	59.9 Å²	59.9	17%	0.165	34%	0.338	C	S	.	.	S	Bend	trans	-112	130.2	-172.3	0	0	0	0	0	110.7	Q76 G82 L85	Q76-A80 VanDerWaalsContact O-CB 3.25Å; Q76-A80 WeakPolarHBondContact O-CB 3.47Å; Q76-A80 PolarHBondContact O-N 3.24Å; A80-G82 PolarHBondContact O-N 3.16Å; A80-L85 HydrophobicContact CB-CD2 4.18Å; A80-L85 HydrophobicContact CB-CG 4.07Å
81	D	43.7	Very low	54.1	Low	130 Å²	130	61.5 Å²	61.5	70%	0.695	35%	0.349	S	S	*	.			trans	-52.9	130.5	167.8	-70.7	-42.2	0	0	0	107.7	P83 T84	D81-P83 HydrophobicContact CB-CG 4.24Å; D81-P83 VanDerWaalsContact O-CD 3.25Å; D81-P83 WeakPolarHBondContact O-CD 3.32Å; D81-T84 WeakPolarHBondContact O-CB 3.45Å; D81-T84 PolarHBondContact O-N 3.39Å; D81-T84 PolarHBondContact O-OG1 3.24Å
82	G	47.4	Very low	54.1	Low	47 Å²	47	59.3 Å²	59.3	49%	0.485	33%	0.327	S	S	.	.	H	α-helix	trans	-34.4	-41.1	-176.9	0	0	0	0	0	117.5	A80 T84 L85	A80-G82 PolarHBondContact O-N 3.16Å; G82-T84 VanDerWaalsContact C-N 3.33Å; G82-T84 PolarHBondContact O-N 3.18Å; G82-L85 PolarHBondContact O-N 3.34Å
83	P	43.2	Very low	54	Low	98 Å²	98	59.9 Å²	59.9	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-60.9	-35.5	175	21.7	-35.2	0	0	0	114.7	D81 L85 L86 E87	D81-P83 HydrophobicContact CB-CG 4.24Å; D81-P83 VanDerWaalsContact O-CD 3.25Å; D81-P83 WeakPolarHBondContact O-CD 3.32Å; P83-L85 VanDerWaalsContact C-N 3.28Å; P83-L85 PolarHBondContact O-N 3.39Å; P83-L86 PolarHBondContact O-N 2.71Å; P83-E87 PolarHBondContact O-N 3.44Å
84	T	49.1	Very low	53.9	Low	53 Å²	53	65 Å²	65	33%	0.325	36%	0.357	S	S	.	.	H	α-helix	trans	-67.9	-31.5	-180	-21	0	0	0	0	111.5	D81 G82 L86 E87 E88	D81-T84 WeakPolarHBondContact O-CB 3.45Å; D81-T84 PolarHBondContact O-N 3.39Å; D81-T84 PolarHBondContact O-OG1 3.24Å; G82-T84 VanDerWaalsContact C-N 3.33Å; G82-T84 PolarHBondContact O-N 3.18Å; T84-L86 VanDerWaalsContact C-N 3.34Å; T84-E87 PolarHBondContact O-N 3.19Å; T84-E88 WeakPolarHBondContact O-CG 3.46Å; T84-E88 PolarHBondContact O-N 2.85Å
85	L	49.8	Very low	53.7	Low	11 Å²	11	71 Å²	71	6%	0.058	38%	0.376	C	S	.	.	H	α-helix	trans	-65.9	-38.9	176.1	-72.3	169.7	0	0	0	111.8	Q76 Y77 A80 G82 P83 E88 L89	Q76-L85 VanDerWaalsContact C-CD2 3.47Å; Q76-L85 HydrophobicContact CB-CD2 3.66Å; Y77-L85 HydrophobicContact CD1-CD1 4.15Å; Y77-L85 HydrophobicContact CD2-CD1 4Å; Y77-L85 HydrophobicContact CD2-CD2 3.83Å; Y77-L85 HydrophobicContact CD2-CG 4.5Å; Y77-L85 HydrophobicContact CE1-CD1 4.32Å; Y77-L85 HydrophobicContact CE2-CD1 4.18Å; Y77-L85 HydrophobicContact CE2-CD2 4.3Å; Y77-L85 HydrophobicContact CG-CD1 3.97Å; Y77-L85 HydrophobicContact CG-CD2 4.36Å; A80-L85 HydrophobicContact CB-CD2 4.18Å; A80-L85 HydrophobicContact CB-CG 4.07Å; G82-L85 PolarHBondContact O-N 3.34Å; P83-L85 VanDerWaalsContact C-N 3.28Å; P83-L85 PolarHBondContact O-N 3.39Å; L85-E88 PolarHBondContact O-N 2.84Å; L85-L89 WeakPolarHBondContact O-CB 3.23Å; L85-L89 WeakPolarHBondContact O-CD1 3.46Å; L85-L89 WeakPolarHBondContact O-CG 3.46Å; L85-L89 PolarHBondContact O-N 2.86Å
86	L	50	Low	53.2	Low	72 Å²	72	72.9 Å²	72.9	38%	0.377	38%	0.377	S	S	.	.	H	α-helix	trans	-63.7	-46.7	176.9	-103.3	72.6	0	0	0	111.2	T40 P83 T84 E88 L89 D90	T40-L86 HydrophobicContact CG2-CD1 4.42Å; T40-L86 HydrophobicContact CG2-CG 4.21Å; P83-L86 PolarHBondContact O-N 2.71Å; T84-L86 VanDerWaalsContact C-N 3.34Å; L86-E88 PolarHBondContact O-N 3.39Å; L86-L89 PolarHBondContact O-N 3.17Å; L86-D90 WeakPolarHBondContact O-CB 3.45Å; L86-D90 PolarHBondContact O-N 3.28Å
87	E	53.3	Low	53	Low	138 Å²	138	71.4 Å²	71.4	65%	0.645	37%	0.371	S	S	*	.	H	α-helix	trans	-62.3	-43.5	178.3	-68.6	-173.8	169.7	0	0	111.7	P83 T84 D90 V91	P83-E87 PolarHBondContact O-N 3.44Å; T84-E87 PolarHBondContact O-N 3.19Å; E87-D90 PolarHBondContact O-N 3.46Å; E87-V91 VanDerWaalsContact O-CG2 3.27Å; E87-V91 WeakPolarHBondContact O-CG2 3.23Å; E87-V91 PolarHBondContact O-N 3.16Å
88	E	55.2	Low	52.8	Low	55 Å²	55	76 Å²	76	26%	0.257	40%	0.398	S	S	.	.	H	α-helix	trans	-73.1	-29.4	178.7	-66.1	-169.6	169.1	0	0	113	F72 Q76 T84 L85 L86 Y92	F72-E88 HydrophobicContact CE2-CB 4.04Å; F72-E88 HydrophobicContact CZ-CB 3.61Å; Q76-E88 WeakPolarHBondContact CG-OE2 3.31Å; Q76-E88 PolarHBondContact NE2-OE1 3.15Å; Q76-E88 PolarHBondContact NE2-OE2 3.5Å; T84-E88 WeakPolarHBondContact O-CG 3.46Å; T84-E88 PolarHBondContact O-N 2.85Å; L85-E88 PolarHBondContact O-N 2.84Å; L86-E88 PolarHBondContact O-N 3.39Å; E88-Y92 WeakPolarHBondContact O-CB 3.15Å; E88-Y92 PolarHBondContact O-N 2.93Å
89	L	58.2	Low	52.5	Low	0 Å²	0	78.4 Å²	78.4	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-68.2	-38.8	171.2	-78.3	166.7	0	0	0	111.3	F36 L39 F72 L73 L85 L86 Y92 K93	F36-L89 HydrophobicContact CD1-CD2 4.09Å; F36-L89 HydrophobicContact CE1-CB 4.44Å; F36-L89 HydrophobicContact CE1-CD2 3.68Å; L39-L89 HydrophobicContact CB-CD1 4.39Å; F72-L89 HydrophobicContact CE1-CD2 3.96Å; F72-L89 HydrophobicContact CE1-CG 4.37Å; L73-L89 HydrophobicContact CD2-CD2 4.26Å; L85-L89 WeakPolarHBondContact O-CB 3.23Å; L85-L89 WeakPolarHBondContact O-CD1 3.46Å; L85-L89 WeakPolarHBondContact O-CG 3.46Å; L85-L89 PolarHBondContact O-N 2.86Å; L86-L89 PolarHBondContact O-N 3.17Å; L89-Y92 CarbonylContact O-C 3.56Å; L89-Y92 WeakPolarHBondContact O-CB 2.99Å; L89-Y92 PolarHBondContact O-N 3.31Å; L89-K93 WeakPolarHBondContact O-CG 3.4Å; L89-K93 PolarHBondContact O-N 2.96Å
90	D	56.7	Low	52.1	Low	72 Å²	72	75.4 Å²	75.4	39%	0.385	42%	0.416	S	S	.	.	H	α-helix	trans	-68.8	-40.6	175	-74.6	-17.4	0	0	0	110.7	L86 E87 Y92 K93 D94	L86-D90 WeakPolarHBondContact O-CB 3.45Å; L86-D90 PolarHBondContact O-N 3.28Å; E87-D90 PolarHBondContact O-N 3.46Å; D90-Y92 PolarHBondContact O-N 2.95Å; D90-K93 WeakPolarHBondContact O-CB 3.41Å; D90-K93 PolarHBondContact O-N 3.28Å; D90-K93 VanDerWaalsContact O-N 3.13Å; D90-K93 IonicContact OD1-NZ 2.74Å; D90-K93 PolarHBondContact OD1-NZ 3.04Å; D90-D94 WeakPolarHBondContact O-CB 3.44Å; D90-D94 VanDerWaalsContact O-CG 3.28Å; D90-D94 PolarHBondContact O-N 2.8Å
91	V	61.4	Low	51.6	Low	63 Å²	63	78.1 Å²	78.1	38%	0.382	44%	0.438	S	S	.	.	H	α-helix	trans	-61.4	-33.1	169.8	172.6	0	0	0	0	111.8	E87 R95	E87-V91 VanDerWaalsContact O-CG2 3.27Å; E87-V91 WeakPolarHBondContact O-CG2 3.23Å; E87-V91 PolarHBondContact O-N 3.16Å; V91-R95 VanDerWaalsContact O-CB 3.31Å; V91-R95 WeakPolarHBondContact O-CB 3.44Å; V91-R95 WeakPolarHBondContact O-CD 3.39Å; V91-R95 WeakPolarHBondContact O-CG 3.37Å; V91-R95 PolarHBondContact O-N 2.88Å
92	Y	58.4	Low	51.3	Low	13 Å²	13	77 Å²	77	5%	0.051	45%	0.447	C	S	.	.	H	α-helix	trans	-71.5	-41.5	173.8	-173.1	-82.5	0	0	0	111.5	M24 F36 L69 E88 L89 D90 R95 F96	M24-Y92 HydrophobicContact CE-CE1 3.89Å; F36-Y92 HydrophobicContact CZ-CD1 4.07Å; F36-Y92 HydrophobicContact CZ-CE1 4.47Å; L69-Y92 HydrophobicContact CD1-CD1 4.25Å; L69-Y92 HydrophobicContact CD1-CE1 3.74Å; L69-Y92 HydrophobicContact CD1-CE2 4.25Å; E88-Y92 WeakPolarHBondContact O-CB 3.15Å; E88-Y92 PolarHBondContact O-N 2.93Å; L89-Y92 CarbonylContact O-C 3.56Å; L89-Y92 WeakPolarHBondContact O-CB 2.99Å; L89-Y92 PolarHBondContact O-N 3.31Å; D90-Y92 PolarHBondContact O-N 2.95Å; Y92-R95 PolarHBondContact O-N 2.78Å; Y92-F96 HydrophobicContact CD1-CB 4.26Å; Y92-F96 AromaticContact CD1-CD2 3.92Å; Y92-F96 HydrophobicContact CD1-CD2 3.92Å; Y92-F96 HydrophobicContact CD1-CG 4.44Å; Y92-F96 AromaticContact CD2-CD2 3.38Å; Y92-F96 HydrophobicContact CD2-CD2 3.38Å; Y92-F96 AromaticContact CD2-CE2 3.48Å; Y92-F96 HydrophobicContact CD2-CE2 3.48Å; Y92-F96 VanDerWaalsContact CD2-CE2 3.48Å; Y92-F96 HydrophobicContact CD2-CG 4.41Å; Y92-F96 HydrophobicContact CE1-CB 3.88Å; Y92-F96 AromaticContact CE1-CD2 3.87Å; Y92-F96 HydrophobicContact CE1-CD2 3.87Å; Y92-F96 HydrophobicContact CE1-CG 4.06Å; Y92-F96 AromaticContact CE2-CD2 3.34Å; Y92-F96 HydrophobicContact CE2-CD2 3.34Å; Y92-F96 AromaticContact CE2-CE2 3.4Å; Y92-F96 HydrophobicContact CE2-CE2 3.4Å; Y92-F96 VanDerWaalsContact CE2-CE2 3.4Å; Y92-F96 HydrophobicContact CE2-CG 4.04Å; Y92-F96 HydrophobicContact CE2-CZ 4.14Å; Y92-F96 AromaticContact CG-CD2 3.68Å; Y92-F96 HydrophobicContact CG-CD2 3.68Å; Y92-F96 HydrophobicContact CG-CE2 4.21Å; Y92-F96 AromaticContact CZ-CD2 3.59Å; Y92-F96 AromaticContact CZ-CG 3.85Å; Y92-F96 WeakPolarHBondContact O-CB 3.43Å; Y92-F96 VanDerWaalsContact O-CD2 3.31Å; Y92-F96 WeakPolarHBondContact O-CD2 3.24Å; Y92-F96 PolarHBondContact O-N 3.1Å
93	K	58.3	Low	50.9	Low	52 Å²	52	80.8 Å²	80.8	23%	0.226	46%	0.46	C	S	.	.	H	α-helix	trans	-58.5	-54.1	172.8	-72.5	174.5	-165.8	156.1	0	110	F36 L89 D90 R95 F96 V97	F36-K93 HydrophobicContact CD1-CD 4.36Å; F36-K93 HydrophobicContact CD1-CG 4.21Å; F36-K93 HydrophobicContact CD2-CG 4.25Å; F36-K93 HydrophobicContact CE1-CG 3.88Å; F36-K93 HydrophobicContact CE2-CG 4Å; F36-K93 HydrophobicContact CG-CD 4.38Å; F36-K93 HydrophobicContact CG-CG 4.39Å; F36-K93 HydrophobicContact CZ-CG 3.81Å; L89-K93 WeakPolarHBondContact O-CG 3.4Å; L89-K93 PolarHBondContact O-N 2.96Å; D90-K93 WeakPolarHBondContact O-CB 3.41Å; D90-K93 PolarHBondContact O-N 3.28Å; D90-K93 VanDerWaalsContact O-N 3.13Å; D90-K93 IonicContact OD1-NZ 2.74Å; D90-K93 PolarHBondContact OD1-NZ 3.04Å; K93-R95 PolarHBondContact O-N 3.5Å; K93-F96 PolarHBondContact O-N 3.2Å; K93-V97 HydrophobicContact CB-CG2 4.44Å; K93-V97 CarbonylContact O-C 3.44Å; K93-V97 VanDerWaalsContact O-CA 3.28Å; K93-V97 WeakPolarHBondContact O-CA 2.98Å; K93-V97 WeakPolarHBondContact O-CB 3.28Å; K93-V97 PolarHBondContact O-N 2.9Å
94	D	59.7	Low	50.7	Low	110 Å²	110	83.7 Å²	83.7	59%	0.588	47%	0.465	S	S	*	.	H	α-helix	trans	-57.5	-27.4	-179.1	-68.5	-1.2	0	0	0	113.3	D90	D90-D94 WeakPolarHBondContact O-CB 3.44Å; D90-D94 VanDerWaalsContact O-CG 3.28Å; D90-D94 PolarHBondContact O-N 2.8Å
95	R	56.3	Low	50.1	Low	186 Å²	186	85.8 Å²	85.8	70%	0.702	48%	0.48	S	S	*	.	H	α-helix	trans	-94.8	-25.5	-177.9	-72.7	177.6	-175	-169.6	6.4	115	V91 Y92 K93	V91-R95 VanDerWaalsContact O-CB 3.31Å; V91-R95 WeakPolarHBondContact O-CB 3.44Å; V91-R95 WeakPolarHBondContact O-CD 3.39Å; V91-R95 WeakPolarHBondContact O-CG 3.37Å; V91-R95 PolarHBondContact O-N 2.88Å; Y92-R95 PolarHBondContact O-N 2.78Å; K93-R95 PolarHBondContact O-N 3.5Å
96	F	51.8	Low	49.6	Very low	97 Å²	97	92.3 Å²	92.3	43%	0.425	51%	0.514	S	S	.	.	H	α-helix	trans	-125.4	-16.9	-171.3	-66.9	-79.8	0	0	0	114.1	Y92 K93	Y92-F96 HydrophobicContact CD1-CB 4.26Å; Y92-F96 AromaticContact CD1-CD2 3.92Å; Y92-F96 HydrophobicContact CD1-CD2 3.92Å; Y92-F96 HydrophobicContact CD1-CG 4.44Å; Y92-F96 AromaticContact CD2-CD2 3.38Å; Y92-F96 HydrophobicContact CD2-CD2 3.38Å; Y92-F96 AromaticContact CD2-CE2 3.48Å; Y92-F96 HydrophobicContact CD2-CE2 3.48Å; Y92-F96 VanDerWaalsContact CD2-CE2 3.48Å; Y92-F96 HydrophobicContact CD2-CG 4.41Å; Y92-F96 HydrophobicContact CE1-CB 3.88Å; Y92-F96 AromaticContact CE1-CD2 3.87Å; Y92-F96 HydrophobicContact CE1-CD2 3.87Å; Y92-F96 HydrophobicContact CE1-CG 4.06Å; Y92-F96 AromaticContact CE2-CD2 3.34Å; Y92-F96 HydrophobicContact CE2-CD2 3.34Å; Y92-F96 AromaticContact CE2-CE2 3.4Å; Y92-F96 HydrophobicContact CE2-CE2 3.4Å; Y92-F96 VanDerWaalsContact CE2-CE2 3.4Å; Y92-F96 HydrophobicContact CE2-CG 4.04Å; Y92-F96 HydrophobicContact CE2-CZ 4.14Å; Y92-F96 AromaticContact CG-CD2 3.68Å; Y92-F96 HydrophobicContact CG-CD2 3.68Å; Y92-F96 HydrophobicContact CG-CE2 4.21Å; Y92-F96 AromaticContact CZ-CD2 3.59Å; Y92-F96 AromaticContact CZ-CG 3.85Å; Y92-F96 WeakPolarHBondContact O-CB 3.43Å; Y92-F96 VanDerWaalsContact O-CD2 3.31Å; Y92-F96 WeakPolarHBondContact O-CD2 3.24Å; Y92-F96 PolarHBondContact O-N 3.1Å; K93-F96 PolarHBondContact O-N 3.2Å
97	V	53.9	Low	49	Very low	21 Å²	21	100.1 Å²	100.1	13%	0.127	54%	0.539	C	S	.	.	S	Bend	trans	-104.8	92.3	168.3	-175.9	0	0	0	0	104.4	M29 F36 K93 D99	M29-V97 HydrophobicContact CE-CG1 3.64Å; M29-V97 HydrophobicContact SD-CG1 3.87Å; F36-V97 HydrophobicContact CE2-CG2 4.5Å; K93-V97 HydrophobicContact CB-CG2 4.44Å; K93-V97 CarbonylContact O-C 3.44Å; K93-V97 VanDerWaalsContact O-CA 3.28Å; K93-V97 WeakPolarHBondContact O-CA 2.98Å; K93-V97 WeakPolarHBondContact O-CB 3.28Å; K93-V97 PolarHBondContact O-N 2.9Å; V97-D99 PolarHBondContact O-N 3Å
98	D	49.8	Very low	48.5	Very low	132 Å²	132	100.6 Å²	100.6	71%	0.706	54%	0.541	S	S	*	.			trans	-54.5	110.5	176.7	-68.3	-56	0	0	0	108.8	G100	D98-G100 PolarHBondContact O-N 3.2Å
99	D	47.6	Very low	47.8	Very low	142 Å²	142	106.4 Å²	106.4	76%	0.759	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	24.4	163.7	-76.4	-27.9	0	0	0	112	V97	V97-D99 PolarHBondContact O-N 3Å
100	G	41.8	Very low	46.9	Very low	72 Å²	72	118.4 Å²	118.4	74%	0.742	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	8.8	-160.8	0	0	0	0	0	115.6	D98	D98-G100 PolarHBondContact O-N 3.2Å
101	A	38.9	Very low	46.5	Very low	76 Å²	76	120.7 Å²	120.7	63%	0.628	62%	0.623	S	S	*	*	S	Bend	trans	-126.5	106.8	165.6	0	0	0	0	0	108.9	V103	A101-V103 VanDerWaalsContact C-N 3.26Å; A101-V103 PolarHBondContact O-N 2.82Å
102	A	35.5	Very low	45.8	Very low	107 Å²	107	124.9 Å²	124.9	88%	0.884	64%	0.643	S	S	*	*			trans	-48.3	91.3	163.6	0	0	0	0	0	110.4	E104	A102-E104 PolarHBondContact O-N 3.28Å
103	V	40.6	Very low	45	Very low	126 Å²	126	133.5 Å²	133.5	76%	0.764	69%	0.689	S	S	*	*			trans	-91.3	92.2	159.7	-176.7	0	0	0	0	104.2	A101	A101-V103 VanDerWaalsContact C-N 3.26Å; A101-V103 PolarHBondContact O-N 2.82Å
104	E	38.2	Very low	44.3	Very low	159 Å²	159	133.7 Å²	133.7	74%	0.743	71%	0.706	S	S	*	*			trans	-32.6	135.4	156.8	-82.6	-82.5	143.3	0	0	109.2	A102 L106	A102-E104 PolarHBondContact O-N 3.28Å; E104-L106 PolarHBondContact O-N 2.88Å
105	P	36.8	Very low	43.7	Very low	98 Å²	98	137.1 Å²	137.1	64%	0.636	72%	0.719	S	S	*	*			trans	-56.2	114.7	175.4	25.3	-31.2	0	0	0	106.6	R107	P105-R107 PolarHBondContact O-N 2.85Å
106	L	40	Very low	43.4	Very low	148 Å²	148	134.8 Å²	134.8	78%	0.775	72%	0.72	S	S	*	*			trans	-66.9	70.8	172	-168.1	80.9	0	0	0	108	E104 E108	E104-L106 PolarHBondContact O-N 2.88Å; L106-E108 HydrophobicContact CD1-CB 4.36Å; L106-E108 HydrophobicContact CG-CB 4.28Å; L106-E108 PolarHBondContact O-N 2.93Å
107	R	36	Very low	43	Very low	235 Å²	235	137.4 Å²	137.4	89%	0.887	73%	0.733	S	S	*	*			trans	-74.8	73.5	159.7	-88.1	-175.7	162	174.4	-3	106.3	P105	P105-R107 PolarHBondContact O-N 2.85Å
108	E	43.8	Very low	42.8	Very low	148 Å²	148	144.5 Å²	144.5	69%	0.692	76%	0.763	S	S	*	*			trans	-123.4	93.2	170.3	-111.7	175.8	172.8	0	0	111.2	L106 R110	L106-E108 HydrophobicContact CD1-CB 4.36Å; L106-E108 HydrophobicContact CG-CB 4.28Å; L106-E108 PolarHBondContact O-N 2.93Å; E108-R110 PolarHBondContact O-N 3.15Å
109	K	40	Very low	42.7	Very low	178 Å²	178	142.2 Å²	142.2	77%	0.774	76%	0.762	S	S	*	*			trans	39.6	83.2	137.2	-68.8	176.1	176.7	171.3	0	116	N111	K109-N111 PolarHBondContact O-N 2.74Å
110	R	38.7	Very low	42.9	Very low	251 Å²	251	147 Å²	147	95%	0.947	77%	0.77	S	S	*	*			trans	-74	75.9	149.6	-74.9	-176.2	178	161.5	0.4	109.5	E108	E108-R110 PolarHBondContact O-N 3.15Å
111	N	49.5	Very low	42.9	Very low	121 Å²	121	153.3 Å²	153.3	65%	0.647	78%	0.776	S	S	*	*			trans	-124.8	99.5	170.3	-64.3	26.4	0	0	0	109.1	K109	K109-N111 PolarHBondContact O-N 2.74Å
112	N	46.9	Very low	43.2	Very low	151 Å²	151	161.9 Å²	161.9	81%	0.807	79%	0.792	S	S	*	*			trans	63.4	86.4	145.4	-55.1	-27.8	0	0	0	117.7	G114	N112-G114 PolarHBondContact O-N 3.27Å; N112-G114 VanDerWaalsContact O-N 3.09Å
113	L	41.2	Very low	43.5	Very low	194 Å²	194	160.2 Å²	160.2	100%	1.016	79%	0.786	S	S	*	*			trans	-56.9	102.5	143.2	-92.9	123.9	0	0	0	108.5
114	G	42.7	Very low	43.5	Very low	56 Å²	56	166.1 Å²	166.1	58%	0.577	80%	0.795	S	S	*	*			trans	-160.4	82.2	-175.8	0	0	0	0	0	112.2	N112	N112-G114 PolarHBondContact O-N 3.27Å; N112-G114 VanDerWaalsContact O-N 3.09Å
115	Q	48.8	Very low	44.2	Very low	182 Å²	182	164 Å²	164	85%	0.85	79%	0.794	S	S	*	*			trans	73.1	141.1	140	-58	-179.7	-20.2	0	0	120.6
116	N	48.1	Very low	44.6	Very low	136 Å²	136	164.6 Å²	164.6	73%	0.727	80%	0.798	S	S	*	*			trans	92.3	79.1	155.6	-63.5	-32.8	0	0	0	119.4
117	E	44.5	Very low	44.8	Very low	152 Å²	152	167.5 Å²	167.5	71%	0.71	81%	0.805	S	S	*	*				34.2	134.4	102.6	-131.5	-162.8	151.2	0	0	119.4
118	K	49.3	Very low	45.2	Very low	171 Å²	171	160.6 Å²	160.6	74%	0.743	80%	0.798	S	S	*	*			trans	85.4	105.3	157.9	-54.2	176.5	-171.7	169.4	0	116.7
119	A	48.6	Very low	45.3	Very low	84 Å²	84	163.2 Å²	163.2	69%	0.694	81%	0.807	S	S	*	*				152.7	132.2	84.5	0	0	0	0	0	113.1
120	R	50.8	Low	45.1	Very low	243 Å²	243	164.5 Å²	164.5	92%	0.917	81%	0.813	S	S	*	*			trans	82.6	91.2	142.5	-69.5	170.8	171.8	-156.2	-3.6	119.3
121	K	43.1	Very low	45.3	Very low	203 Å²	203	161 Å²	161	88%	0.883	81%	0.807	S	S	*	*			trans	-51.9	140.3	144.7	-77.4	175.8	172.4	175.7	0	112
122	R	45.3	Very low	44.7	Very low	256 Å²	256	164.7 Å²	164.7	97%	0.966	82%	0.821	S	S	*	*			trans	150.7	124.8	151.4	-85.9	166.3	-168	-142.8	5.5	105.2
123	G	40.8	Very low	44.2	Very low	73 Å²	73	161 Å²	161	75%	0.753	82%	0.818	S	S	*	*			cis	161.8	121.6	6	0	0	0	0	0	105.6
124	R	41.5	Very low	44.1	Very low	249 Å²	249	160.9 Å²	160.9	94%	0.94	81%	0.812	S	S	*	*			trans	57.5	128.8	157.2	-138	171.8	-172.2	-165.1	1.1	121.1
125	P	52.7	Low	43.8	Very low	114 Å²	114	163 Å²	163	74%	0.74	82%	0.819	S	S	*	*			trans	-94.4	-160.2	177.3	44.3	-37.6	0	0	0	110.1
126	P	45.4	Very low	43.6	Very low	111 Å²	111	159.4 Å²	159.4	72%	0.721	82%	0.819	S	S	*	*			cis	-136.1	174.8	-6.1	39.3	-20.9	0	0	0	114.4
127	K	42.9	Very low	43.6	Very low	209 Å²	209	162 Å²	162	91%	0.909	82%	0.824	S	S	*	*			trans	170.4	152.5	141.3	-97.5	174.4	-174.9	-175.7	0	113.2
128	A	44	Very low	43.6	Very low	91 Å²	91	160.8 Å²	160.8	75%	0.752	83%	0.829	S	S	*	*			trans	84.7	105.4	166.5	0	0	0	0	0	116.3
129	K	46.5	Very low	43.6	Very low	203 Å²	203	160.1 Å²	160.1	88%	0.883	83%	0.833	S	S	*	*				66.1	104.3	86.8	-71.3	-169.5	178.4	-174.9	0	111.4
130	K	36.5	Very low	43.6	Very low	204 Å²	204	165.8 Å²	165.8	89%	0.887	84%	0.842	S	S	*	*				82.1	143.9	90	-128.4	-172.6	-174	-169.3	0	111.6
131	E	43.2	Very low	43.6	Very low	178 Å²	178	165.8 Å²	165.8	83%	0.832	84%	0.842	S	S	*	*			trans	97.6	100.9	-179.5	-59.5	176.9	-174.6	0	0	113.1
132	E	36.8	Very low	43.4	Very low	199 Å²	199	159.9 Å²	159.9	93%	0.93	84%	0.838	S	S	*	*				72.1	131.3	86.2	-79.3	-169.4	-180	0	0	113.3
133	G	35.6	Very low	43.3	Very low	72 Å²	72	159.6 Å²	159.6	74%	0.742	84%	0.837	S	S	*	*			trans	124.5	89.7	175.2	0	0	0	0	0	111.8
134	E	38.9	Very low	43.6	Very low	192 Å²	192	161.8 Å²	161.8	90%	0.897	84%	0.838	S	S	*	*				103.7	138.5	77.1	-172.1	172.5	-178.3	0	0	110.9
135	S	36.7	Very low	43.8	Very low	102 Å²	102	154.5 Å²	154.5	71%	0.713	83%	0.831	S	S	*	*			trans	-61.9	148.1	-163	52.7	0	0	0	0	117.3
136	A	44.1	Very low	43.5	Very low	105 Å²	105	159.2 Å²	159.2	87%	0.868	84%	0.84	S	S	*	*			trans	-141.1	135.8	149.1	0	0	0	0	0	111.7
137	K	48.7	Very low	43.3	Very low	191 Å²	191	157.9 Å²	157.9	83%	0.83	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-73.1	158.4	-158.7	-67.6	156.5	177.3	168.3	0	115.3
138	P	45.3	Very low	43.4	Very low	126 Å²	126	157 Å²	157	82%	0.818	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-79.9	136.7	175.2	32.8	-31.8	0	0	0	111.9	K140	P138-K140 PolarHBondContact O-N 2.79Å
139	I	48.6	Very low	43.3	Very low	158 Å²	158	161.4 Å²	161.4	81%	0.81	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-78.3	117.4	178.3	-65.4	171.2	0	0	0	110	R141	I139-R141 HydrophobicContact CG2-CG 4.47Å
140	K	48.6	Very low	43.1	Very low	203 Å²	203	161.3 Å²	161.3	88%	0.883	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-83.4	126.4	164.1	-74.4	178.7	176.5	174.8	0	110.4	P138	P138-K140 PolarHBondContact O-N 2.79Å
141	R	49.4	Very low	43.4	Very low	243 Å²	243	160.7 Å²	160.7	92%	0.917	85%	0.847	S	S	*	*			trans	-152.4	137	153.1	-65.3	-171.6	178.4	-173.4	-0.9	105.2	I139	I139-R141 HydrophobicContact CG2-CG 4.47Å
142	G	39.2	Very low	43.2	Very low	78 Å²	78	155.8 Å²	155.8	80%	0.804	85%	0.845	S	S	*	*			cis	-179.5	154.8	4.3	0	0	0	0	0	106.1
143	R	44.6	Very low	43.5	Very low	250 Å²	250	155 Å²	155	94%	0.943	84%	0.841	S	S	*	*			trans	-67.2	169.9	-168.2	-114.5	-173.8	158.3	180	-4.9	115.9
144	P	47.2	Very low	43.6	Very low	120 Å²	120	156.8 Å²	156.8	78%	0.779	84%	0.842	S	S	*	*			trans	-99.5	166.4	-166	40.6	-34.7	0	0	0	115
145	A	45.6	Very low	43.8	Very low	95 Å²	95	152.5 Å²	152.5	79%	0.785	84%	0.839	S	S	*	*			trans	-153.1	114.7	162.5	0	0	0	0	0	110.3
146	K	44.9	Very low	44.2	Very low	214 Å²	214	156.9 Å²	156.9	93%	0.93	85%	0.846	S	S	*	*				55.7	104.4	112.9	-93.1	-176.5	177.2	175.5	0	116
147	G	43	Very low	44.6	Very low	83 Å²	83	157.6 Å²	157.6	86%	0.856	84%	0.842	S	S	*	*			trans	-147.7	118	152.8	0	0	0	0	0	108.3
148	K	43.2	Very low	44.4	Very low	189 Å²	189	155 Å²	155	82%	0.822	84%	0.836	S	S	*	*			trans	-94.8	147.2	-178.3	-85.2	-169.9	174.7	-175.7	0	110.1
149	K	42.2	Very low	44.4	Very low	184 Å²	184	158.6 Å²	158.6	80%	0.8	84%	0.838	S	S	*	*			trans	63.7	116.3	147.4	-72.5	-177.5	171.3	-163.8	0	118.3
150	E	43.6	Very low	44.3	Very low	202 Å²	202	161.9 Å²	161.9	94%	0.944	84%	0.84	S	S	*	*				-149.5	147.2	118.9	-114.1	173	-172.4	0	0	109.5
151	E	42.7	Very low	43.7	Very low	190 Å²	190	155.6 Å²	155.6	89%	0.888	83%	0.833	S	S	*	*			trans	-79.9	152.3	-168	-67	166.3	157.5	0	0	111.8
152	G	38.9	Very low	43.2	Very low	76 Å²	76	156 Å²	156	78%	0.784	84%	0.835	S	S	*	*			trans	171	87.5	173.9	0	0	0	0	0	113
153	E	41.6	Very low	43.8	Very low	183 Å²	183	158.2 Å²	158.2	86%	0.855	84%	0.835	S	S	*	*			trans	22.3	106.1	157.9	-82.9	174.5	121.2	0	0	121
154	S	38.5	Very low	43.7	Very low	108 Å²	108	150.5 Å²	150.5	76%	0.755	82%	0.824	S	S	*	*				29.9	104.9	128.2	61.3	0	0	0	0	120.4
155	A	43.2	Very low	43.4	Very low	102 Å²	102	154.3 Å²	154.3	84%	0.843	83%	0.828	S	S	*	*				-154.8	132	126.2	0	0	0	0	0	110.2
156	K	45.8	Very low	43.5	Very low	194 Å²	194	161.3 Å²	161.3	84%	0.843	83%	0.834	S	S	*	*			trans	-56.2	138.1	-166.3	-63.9	157.1	179.2	169.7	0	113.8	I158	K156-I158 PolarHBondContact O-N 3.47Å
157	P	52	Low	43.6	Very low	121 Å²	121	160.6 Å²	160.6	79%	0.786	83%	0.831	S	S	*	*			trans	-78.5	104.8	163.3	30.5	-28.2	0	0	0	109	K159	P157-K159 PolarHBondContact O-N 2.85Å
158	I	43.4	Very low	43.3	Very low	137 Å²	137	165.6 Å²	165.6	70%	0.703	83%	0.83	S	S	*	*			trans	-69.4	98.1	168.1	-65.5	175.8	0	0	0	107.8	K156 R160	K156-I158 PolarHBondContact O-N 3.47Å; I158-R160 HydrophobicContact CG2-CG 3.78Å; I158-R160 PolarHBondContact O-N 2.92Å
159	K	46.4	Very low	43.2	Very low	201 Å²	201	164.9 Å²	164.9	87%	0.874	83%	0.829	S	S	*	*			trans	-69.6	104.4	161.2	-72.3	179.6	177.4	176.2	0	108.6	P157	P157-K159 PolarHBondContact O-N 2.85Å
160	R	46.2	Very low	43.2	Very low	227 Å²	227	164.9 Å²	164.9	86%	0.857	83%	0.832	S	S	*	*			trans	-127.5	100.7	157.3	-72.1	179.4	177.8	-177.1	0.2	105	I158	I158-R160 HydrophobicContact CG2-CG 3.78Å; I158-R160 PolarHBondContact O-N 2.92Å
161	G	37	Very low	43.1	Very low	70 Å²	70	158 Å²	158	72%	0.722	82%	0.815	S	S	*	*				84.4	88.9	61.9	0	0	0	0	0	108.2
162	R	39.3	Very low	43.2	Very low	253 Å²	253	157.8 Å²	157.8	96%	0.955	81%	0.814	S	S	*	*			trans	-42.4	135.8	170.8	-92.1	177.6	168.1	174.4	-3.5	110.9
163	P	51.6	Low	43.3	Very low	124 Å²	124	164.8 Å²	164.8	81%	0.805	82%	0.817	S	S	*	*			trans	-104.6	123	146.6	28.7	-16	0	0	0	109.4
164	A	41.8	Very low	43.6	Very low	87 Å²	87	162.7 Å²	162.7	72%	0.719	81%	0.811	S	S	*	*			trans	-67.4	148	169.8	0	0	0	0	0	111.4
165	K	40.8	Very low	43.8	Very low	200 Å²	200	162.6 Å²	162.6	87%	0.87	81%	0.806	S	S	*	*			trans	19.3	110.3	148.9	-67.3	-179.1	176.2	178.1	0	116.1
166	R	48.5	Very low	43.5	Very low	242 Å²	242	160.3 Å²	160.3	91%	0.913	79%	0.787	S	S	*	*			trans	-163.5	114.7	146.2	-99	141.8	-165.8	-133.8	7.3	112
167	K	46	Very low	43.2	Very low	199 Å²	199	155.6 Å²	155.6	87%	0.865	77%	0.774	S	S	*	*			trans	33.4	107.8	144	-52.2	-165.1	174.6	-171.7	0	117.8
168	K	36.9	Very low	42.9	Very low	189 Å²	189	152.9 Å²	152.9	82%	0.822	76%	0.762	S	S	*	*				54.2	120.4	89.1	-92.5	-164.7	177.6	-169.1	0	115.4
169	E	40.2	Very low	42.8	Very low	173 Å²	173	153.3 Å²	153.3	81%	0.808	76%	0.759	S	S	*	*			trans	83.6	136.4	155	-69.9	169.3	166.4	0	0	118.7
170	E	43.4	Very low	42.8	Very low	184 Å²	184	148.9 Å²	148.9	86%	0.86	74%	0.744	S	S	*	*			trans	105.8	11.8	168	-54.3	-167.2	162.9	0	0	120.9
171	G	40.4	Very low	42.8	Very low	58 Å²	58	141.1 Å²	141.1	60%	0.598	72%	0.724	S	S	*	*			trans	-82	-21.2	177.1	0	0	0	0	0	117.2	R173	G171-R173 PolarHBondContact O-N 3.06Å
172	E	44.7	Very low	43	Very low	185 Å²	185	142.8 Å²	142.8	86%	0.864	72%	0.716	S	S	*	*	H	α-helix	trans	-80.7	-15	-164.4	-73.4	-179.3	151	0	0	115.3
173	R	42.4	Very low	43.3	Very low	223 Å²	223	133.3 Å²	133.3	84%	0.842	69%	0.686	S	S	*	*	H	α-helix	trans	-88.2	-20.8	-176.2	-70.3	-176.5	177.2	179.2	-0.1	114.6	G171	G171-R173 PolarHBondContact O-N 3.06Å
174	L	46.8	Very low	42.9	Very low	140 Å²	140	131.7 Å²	131.7	73%	0.733	67%	0.674	S	S	*	*	H	α-helix	trans	-77.7	-26.6	-177.9	-71.6	170.8	0	0	0	112.9
175	V	43	Very low	43.1	Very low	105 Å²	105	134.8 Å²	134.8	64%	0.636	67%	0.671	S	S	*	*	H	α-helix	trans	-74	-33.8	-178.9	-176.2	0	0	0	0	111.9	V177 A178 F179	V175-V177 PolarHBondContact O-N 3.17Å; V175-A178 PolarHBondContact O-N 3.45Å; V175-F179 PolarHBondContact O-N 3.09Å
176	A	37.4	Very low	43.4	Very low	54 Å²	54	130.8 Å²	130.8	45%	0.446	66%	0.658	S	S	.	*	H	α-helix	trans	-65.4	-38.1	-179.8	0	0	0	0	0	112.8	F179 I180	A176-F179 PolarHBondContact O-N 3.27Å; A176-I180 WeakPolarHBondContact O-CG1 3.22Å; A176-I180 PolarHBondContact O-N 2.64Å
177	V	40.2	Very low	43.1	Very low	95 Å²	95	126.7 Å²	126.7	58%	0.576	65%	0.653	S	S	*	*	H	α-helix	trans	-70.8	-34.6	-178.6	-177	0	0	0	0	111.4	V175 S181	V175-V177 PolarHBondContact O-N 3.17Å; V177-S181 WeakPolarHBondContact O-CB 2.83Å; V177-S181 PolarHBondContact O-N 3.38Å; V177-S181 PolarHBondContact O-OG 3.17Å
178	A	44.1	Very low	42.9	Very low	65 Å²	65	121.5 Å²	121.5	54%	0.537	64%	0.642	S	S	.	*	H	α-helix	trans	-68.7	-36.7	177	0	0	0	0	0	112.6	V175 S181 L182	V175-A178 PolarHBondContact O-N 3.45Å; A178-S181 PolarHBondContact O-N 3.22Å; A178-L182 PolarHBondContact O-N 3.47Å
179	F	42.6	Very low	43	Very low	146 Å²	146	115.8 Å²	115.8	64%	0.64	63%	0.631	S	S	*	*	H	α-helix	trans	-71.4	-38.4	-179.5	-157.8	-95.4	0	0	0	112.8	V175 A176 S181 L182 T183	V175-F179 PolarHBondContact O-N 3.09Å; A176-F179 PolarHBondContact O-N 3.27Å; F179-S181 VanDerWaalsContact C-N 3.31Å; F179-L182 PolarHBondContact O-N 3Å; F179-T183 HydrophobicContact CD1-CG2 4.16Å; F179-T183 HydrophobicContact CE1-CG2 3.99Å; F179-T183 WeakPolarHBondContact O-CG2 3.43Å; F179-T183 PolarHBondContact O-N 3.08Å; F179-T183 VanDerWaalsContact O-N 3.15Å; F179-T183 PolarHBondContact O-OG1 3.12Å
180	I	45.3	Very low	43.1	Very low	108 Å²	108	116.4 Å²	116.4	55%	0.554	63%	0.63	S	S	*	*	H	α-helix	trans	-67	-36.8	174.5	-62.1	167.1	0	0	0	110.2	A176 L182 T183 V184	A176-I180 WeakPolarHBondContact O-CG1 3.22Å; A176-I180 PolarHBondContact O-N 2.64Å; I180-L182 PolarHBondContact O-N 2.75Å; I180-T183 WeakPolarHBondContact CA-OG1 3.38Å; I180-T183 PolarHBondContact O-OG1 2.89Å; I180-T183 VanDerWaalsContact O-OG1 3.09Å; I180-V184 HydrophobicContact CG2-CG2 4.38Å; I180-V184 VanDerWaalsContact O-CG2 3.22Å; I180-V184 WeakPolarHBondContact O-CG2 3.27Å; I180-V184 PolarHBondContact O-N 3.19Å; I180-V184 VanDerWaalsContact O-N 3.17Å
181	S	46.8	Very low	43.3	Very low	63 Å²	63	113.5 Å²	113.5	44%	0.441	63%	0.627	S	S	.	*	H	α-helix	trans	-67.6	-33.6	179.3	-57.6	0	0	0	0	113.4	V177 A178 F179	V177-S181 WeakPolarHBondContact O-CB 2.83Å; V177-S181 PolarHBondContact O-N 3.38Å; V177-S181 PolarHBondContact O-OG 3.17Å; A178-S181 PolarHBondContact O-N 3.22Å; F179-S181 VanDerWaalsContact C-N 3.31Å
182	L	41.9	Very low	43.6	Very low	106 Å²	106	118 Å²	118	56%	0.555	64%	0.636	S	S	*	*	H	α-helix	trans	-79	-40.9	178.9	-171	65.4	0	0	0	111.9	A178 F179 I180 K185 I186	A178-L182 PolarHBondContact O-N 3.47Å; F179-L182 PolarHBondContact O-N 3Å; I180-L182 PolarHBondContact O-N 2.75Å; L182-K185 PolarHBondContact O-N 3.17Å; L182-I186 HydrophobicContact CG-CD1 4.17Å; L182-I186 WeakPolarHBondContact O-CG1 2.99Å; L182-I186 PolarHBondContact O-N 2.77Å
183	T	44.7	Very low	43.7	Very low	53 Å²	53	118.6 Å²	118.6	33%	0.325	64%	0.636	S	S	.	*	H	α-helix	trans	-67.3	-36.5	179.9	47.2	0	0	0	0	112.8	F179 I180 K185 I186 L187	F179-T183 HydrophobicContact CD1-CG2 4.16Å; F179-T183 HydrophobicContact CE1-CG2 3.99Å; F179-T183 WeakPolarHBondContact O-CG2 3.43Å; F179-T183 PolarHBondContact O-N 3.08Å; F179-T183 VanDerWaalsContact O-N 3.15Å; F179-T183 PolarHBondContact O-OG1 3.12Å; I180-T183 WeakPolarHBondContact CA-OG1 3.38Å; I180-T183 PolarHBondContact O-OG1 2.89Å; I180-T183 VanDerWaalsContact O-OG1 3.09Å; T183-K185 VanDerWaalsContact C-N 3.33Å; T183-K185 PolarHBondContact O-N 3.13Å; T183-I186 PolarHBondContact O-N 3.43Å; T183-L187 PolarHBondContact O-N 2.75Å; T183-L187 VanDerWaalsContact O-N 3.08Å
184	V	43.5	Very low	43.9	Very low	91 Å²	91	119.9 Å²	119.9	55%	0.552	64%	0.641	S	S	*	*	H	α-helix	trans	-65.7	-35.1	174.7	173	0	0	0	0	111.9	I180 S188	I180-V184 HydrophobicContact CG2-CG2 4.38Å; I180-V184 VanDerWaalsContact O-CG2 3.22Å; I180-V184 WeakPolarHBondContact O-CG2 3.27Å; I180-V184 PolarHBondContact O-N 3.19Å; I180-V184 VanDerWaalsContact O-N 3.17Å; V184-S188 WeakPolarHBondContact O-CB 3.48Å; V184-S188 PolarHBondContact O-N 3.47Å
185	K	46.4	Very low	43.2	Very low	152 Å²	152	116.2 Å²	116.2	66%	0.661	64%	0.637	S	S	*	*	H	α-helix	trans	-68.5	-39.8	176.7	-74.8	179.4	179.6	176.6	0	112.2	L182 T183 S188 A189	L182-K185 PolarHBondContact O-N 3.17Å; T183-K185 VanDerWaalsContact C-N 3.33Å; T183-K185 PolarHBondContact O-N 3.13Å; K185-S188 PolarHBondContact O-N 3.25Å; K185-S188 PolarHBondContact O-OG 3.18Å; K185-A189 PolarHBondContact O-N 3.05Å
186	I	45.4	Very low	43.2	Very low	116 Å²	116	123.1 Å²	123.1	60%	0.595	65%	0.651	S	S	*	*	H	α-helix	trans	-68.7	-40	179.3	-63.3	165.1	0	0	0	111.4	L182 T183 S188 A189	L182-I186 HydrophobicContact CG-CD1 4.17Å; L182-I186 WeakPolarHBondContact O-CG1 2.99Å; L182-I186 PolarHBondContact O-N 2.77Å; T183-I186 PolarHBondContact O-N 3.43Å; I186-S188 VanDerWaalsContact C-N 3.34Å; I186-S188 PolarHBondContact O-N 3.44Å; I186-A189 PolarHBondContact O-N 3Å
187	L	43.7	Very low	43.1	Very low	155 Å²	155	126.3 Å²	126.3	81%	0.812	67%	0.671	S	S	*	*	H	α-helix	trans	-73.6	-21.7	178.1	-79.1	159.9	0	0	0	113.8	T183	T183-L187 PolarHBondContact O-N 2.75Å; T183-L187 VanDerWaalsContact O-N 3.08Å
188	S	41.6	Very low	43.4	Very low	90 Å²	90	126.2 Å²	126.2	63%	0.629	68%	0.679	S	S	*	*	H	α-helix	trans	-87.1	-9.6	176.9	85.5	0	0	0	0	114.1	V184 K185 I186 K190	V184-S188 WeakPolarHBondContact O-CB 3.48Å; V184-S188 PolarHBondContact O-N 3.47Å; K185-S188 PolarHBondContact O-N 3.25Å; K185-S188 PolarHBondContact O-OG 3.18Å; I186-S188 VanDerWaalsContact C-N 3.34Å; I186-S188 PolarHBondContact O-N 3.44Å; S188-K190 PolarHBondContact O-N 3.48Å
189	A	38.8	Very low	43.3	Very low	70 Å²	70	133.4 Å²	133.4	58%	0.579	70%	0.699	S	S	*	*	S	Bend	trans	-74.5	100	176.9	0	0	0	0	0	109.7	K185 I186	K185-A189 PolarHBondContact O-N 3.05Å; I186-A189 PolarHBondContact O-N 3Å
190	K	42.8	Very low	43.3	Very low	185 Å²	185	129.9 Å²	129.9	80%	0.804	70%	0.703	S	S	*	*			trans	-41.1	137.7	173.2	-70.1	168.7	178.8	167.2	0	111	S188 I192	S188-K190 PolarHBondContact O-N 3.48Å; K190-I192 PolarHBondContact O-N 2.84Å
191	P	46.8	Very low	43.6	Very low	123 Å²	123	135 Å²	135	80%	0.799	72%	0.721	S	S	*	*			trans	-59.5	115.3	175.4	25	-32.5	0	0	0	109	K193	P191-K193 PolarHBondContact O-N 2.91Å
192	I	46.3	Very low	43.2	Very low	153 Å²	153	141.6 Å²	141.6	79%	0.785	74%	0.742	S	S	*	*			trans	-65.1	104.8	169.5	-64.1	172.7	0	0	0	106	K190 R194	K190-I192 PolarHBondContact O-N 2.84Å; I192-R194 PolarHBondContact O-N 2.98Å
193	K	47.5	Very low	43.6	Very low	198 Å²	198	145.4 Å²	145.4	86%	0.861	76%	0.757	S	S	*	*			trans	-56.7	102.4	165.9	-76.8	-177.1	176.5	179.7	0	107.3	P191 G195	P191-K193 PolarHBondContact O-N 2.91Å; K193-G195 PolarHBondContact O-N 3.45Å
194	R	46	Very low	43.5	Very low	250 Å²	250	152.3 Å²	152.3	94%	0.943	79%	0.786	S	S	*	*			trans	-67.9	82.8	166.2	-75.3	-175.1	173.9	175.2	-2.3	108.5	I192	I192-R194 PolarHBondContact O-N 2.98Å
195	G	31.7	Very low	43.4	Very low	62 Å²	62	151.6 Å²	151.6	64%	0.639	80%	0.797	S	S	*	*			trans	-109.8	106.2	160.2	0	0	0	0	0	107.8	K193	K193-G195 PolarHBondContact O-N 3.45Å
196	R	43.9	Very low	43.3	Very low	250 Å²	250	153 Å²	153	94%	0.943	81%	0.805	S	S	*	*			trans	-163.1	118.7	151.6	-109.7	171.7	-169.3	-164.2	3	110.6
197	S	35.4	Very low	43.3	Very low	122 Å²	122	152.7 Å²	152.7	85%	0.853	81%	0.814	S	S	*	*			trans	-55.4	133.6	171.6	45.1	0	0	0	0	114.6
198	A	46.2	Very low	43.5	Very low	92 Å²	92	149.2 Å²	149.2	76%	0.76	81%	0.807	S	S	*	*			trans	-141.6	101.3	157.3	0	0	0	0	0	105.8
199	K	42.4	Very low	44.1	Very low	217 Å²	217	153.9 Å²	153.9	94%	0.943	82%	0.816	S	S	*	*				59.9	104.7	77.2	-148.4	178.9	-172	-178.7	0	112.7
200	G	42.8	Very low	44.3	Very low	71 Å²	71	156.6 Å²	156.6	73%	0.732	83%	0.828	S	S	*	*			trans	103.3	122	175.5	0	0	0	0	0	111.2
201	K	51.9	Low	44.6	Very low	216 Å²	216	155.7 Å²	155.7	94%	0.939	83%	0.83	S	S	*	*			cis	-143.6	158.1	38.3	-70	-174.7	173.1	-176.9	0	112.2
202	K	38.5	Very low	44.9	Very low	202 Å²	202	157.4 Å²	157.4	88%	0.878	83%	0.825	S	S	*	*			trans	-105.7	119.3	-178.8	-173.7	-171.6	-172.9	-170.7	0	106.1
203	E	49.2	Very low	44.8	Very low	186 Å²	186	161.1 Å²	161.1	87%	0.869	83%	0.83	S	S	*	*			trans	-162.1	92.2	165.3	-105.3	170.8	-165.4	0	0	104.5
204	E	42.3	Very low	44.5	Very low	197 Å²	197	155.5 Å²	155.5	92%	0.921	83%	0.827	S	S	*	*				54.1	108.9	103.8	-73.4	-164.9	176.1	0	0	113.4
205	G	42.8	Very low	44.9	Very low	76 Å²	76	154.9 Å²	154.9	78%	0.784	83%	0.825	S	S	*	*			trans	168.4	70.3	177.8	0	0	0	0	0	113.9
206	E	42.4	Very low	46.2	Very low	181 Å²	181	157.8 Å²	157.8	85%	0.846	83%	0.833	S	S	*	*			trans	66.3	101.2	133.4	-152.9	171.2	172.9	0	0	120.6
207	S	47.3	Very low	46.6	Very low	110 Å²	110	150.5 Å²	150.5	77%	0.769	83%	0.826	S	S	*	*			trans	54.4	140.7	136.8	92.8	0	0	0	0	119.3
208	A	47.1	Very low	47.3	Very low	82 Å²	82	155 Å²	155	68%	0.678	83%	0.83	S	S	*	*			cis	-168.3	159.3	20.9	0	0	0	0	0	109.7
209	K	54	Low	47.6	Very low	188 Å²	188	153.8 Å²	153.8	82%	0.817	83%	0.826	S	S	*	*			trans	89.7	101.4	159.1	-56.2	178.3	-176.3	175.8	0	118.7
210	P	43.3	Very low	48.2	Very low	128 Å²	128	153.5 Å²	153.5	83%	0.831	83%	0.825	S	S	*	*			trans	-97.7	120.4	154.6	33.3	-21.2	0	0	0	109.8
211	I	49.7	Very low	48.5	Very low	165 Å²	165	158.4 Å²	158.4	85%	0.846	83%	0.826	S	S	*	*			trans	-112.6	122.8	165.6	-62.5	-179.7	0	0	0	109.9
212	K	52.5	Low	48.6	Very low	160 Å²	160	155.3 Å²	155.3	70%	0.696	82%	0.815	S	S	*	*			trans	-59	144.9	-170.2	-77.1	167.9	179.6	171.4	0	116.2
213	R	43.9	Very low	49	Very low	231 Å²	231	154.1 Å²	154.1	87%	0.872	81%	0.813	S	S	*	*				70.4	122.2	127.4	-66.5	171.8	-177.3	-173.9	-3.4	119.3
214	G	42.3	Very low	48.8	Very low	79 Å²	79	148.2 Å²	148.2	81%	0.814	80%	0.802	S	S	*	*			trans	-178.3	86.4	155.3	0	0	0	0	0	111.8
215	R	53.9	Low	49	Very low	238 Å²	238	148.7 Å²	148.7	90%	0.898	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-96	121.2	175.5	-173.3	-173	-165.4	-168.4	5.1	107.8
216	P	57.8	Low	49.3	Very low	123 Å²	123	148.5 Å²	148.5	80%	0.799	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-83.5	119.1	166	29.9	-26.7	0	0	0	109
217	A	53.9	Low	49.4	Very low	96 Å²	96	152.1 Å²	152.1	79%	0.793	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-80.7	137.9	174.6	0	0	0	0	0	110.7
218	K	49	Very low	49.5	Very low	216 Å²	216	154.3 Å²	154.3	94%	0.939	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.4	134.6	166.9	-80.1	-179.7	171.6	177.8	0	110.1
219	G	53.2	Low	49.7	Very low	67 Å²	67	158.1 Å²	158.1	69%	0.691	84%	0.837	S	S	*	*			trans	-179.1	113	158.2	0	0	0	0	0	105.8
220	K	54.6	Low	49.4	Very low	211 Å²	211	156.4 Å²	156.4	92%	0.917	84%	0.838	S	S	*	*				37.9	129.1	66.2	-67.6	-157.3	-179.6	-170.5	0	110.9
221	K	49.7	Very low	49.8	Very low	174 Å²	174	158.1 Å²	158.1	76%	0.757	84%	0.838	S	S	*	*			cis	178.6	164	-10.9	-153.2	-172.5	-179.4	-159.4	0	101.6
222	E	52.7	Low	49.8	Very low	151 Å²	151	157.6 Å²	157.6	71%	0.706	84%	0.838	S	S	*	*			trans	72.9	145.5	168	-69.3	158.2	-163.3	0	0	114.6
223	E	47.8	Very low	49.6	Very low	178 Å²	178	157.5 Å²	157.5	83%	0.832	85%	0.847	S	S	*	*			cis	178.9	155.5	-17	-114.3	173.7	-167.7	0	0	102.8
224	G	44.3	Very low	50	Low	62 Å²	62	152.2 Å²	152.2	64%	0.639	85%	0.846	S	S	*	*			trans	86.1	107.2	163.1	0	0	0	0	0	114.5
225	E	47.2	Very low	50.6	Low	206 Å²	206	157.8 Å²	157.8	96%	0.963	85%	0.848	S	S	*	*				88.6	126	82.2	-87.1	-172.4	160	0	0	112
226	G	49.3	Very low	50.3	Low	72 Å²	72	151.2 Å²	151.2	74%	0.742	84%	0.844	S	S	*	*			trans	129	94.6	147	0	0	0	0	0	116.3
227	L	44.5	Very low	49.7	Very low	258 Å²	258	153.7 Å²	153.7	100%	1.351	85%	0.848	S	S	*	*			trans	76.1	0	150.8	-65.9	159.2	0	0	0	118.7

Retrieved 227 of 227 residues in 154.4 ms (Link to these results)

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