A0A077Z5S8_TRITR Loading...

Putative serine

AlphaFold DB , UniProt , Accession A0A077Z5S8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 174 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	37.6	Very low	47.1	Very low	246 Å²	246	178.8 Å²	178.8	100%	1.212	87%	0.866	S	S	*	*				0	122.3	0	-81.8	176.3	137.8	0	0	109.4
2	S	40	Very low	48.3	Very low	119 Å²	119	172.3 Å²	172.3	83%	0.832	83%	0.833	S	S	*	*			trans	41.3	91.7	157.8	-55.6	0	0	0	0	122.4
3	N	45.6	Very low	49.7	Very low	140 Å²	140	165 Å²	165	75%	0.749	81%	0.806	S	S	*	*				38.7	86.1	125.9	-120.9	-2.6	0	0	0	119.2	R5	N3-R5 PolarHBondContact O-N 3.13Å
4	M	44.6	Very low	51.6	Low	202 Å²	202	159.7 Å²	159.7	100%	0.995	79%	0.794	S	S	*	*			trans	-73.9	51.6	159.8	-73	-164.6	-92	0	0	111.9	G6	M4-G6 PolarHBondContact O-N 3Å
5	R	47.6	Very low	53.2	Low	222 Å²	222	156.9 Å²	156.9	84%	0.838	78%	0.777	S	S	*	*			trans	-93.8	90.1	-179.1	-125.9	179.2	-171.8	-159.9	3.5	110.8	N3	N3-R5 PolarHBondContact O-N 3.13Å
6	G	45.1	Very low	54.1	Low	64 Å²	64	153.8 Å²	153.8	66%	0.66	76%	0.76	S	S	*	*			trans	72.7	67.1	146.8	0	0	0	0	0	117.3	M4 R8	M4-G6 PolarHBondContact O-N 3Å; G6-R8 PolarHBondContact O-N 2.94Å
7	R	47.1	Very low	54.8	Low	241 Å²	241	149.1 Å²	149.1	91%	0.909	74%	0.738	S	S	*	*			trans	-67.7	87.5	149.4	-103.2	-176.3	178.4	175	0.3	107.5	E9	R7-E9 PolarHBondContact O-N 3.15Å
8	R	47.4	Very low	55.8	Low	238 Å²	238	151.7 Å²	151.7	90%	0.898	74%	0.738	S	S	*	*			trans	-67.5	92.7	157.9	-78.7	-177.3	175.7	-178	-1.6	106	G6 K10	G6-R8 PolarHBondContact O-N 2.94Å; R8-K10 PolarHBondContact O-N 3.37Å; R8-K10 VanDerWaalsContact O-N 3.11Å
9	E	51.2	Low	56.3	Low	163 Å²	163	152.7 Å²	152.7	76%	0.762	73%	0.733	S	S	*	*			trans	-57.8	115	160.8	-75.6	-178.6	166.2	0	0	106.6	R7 V11	R7-E9 PolarHBondContact O-N 3.15Å; E9-V11 VanDerWaalsContact C-N 3.34Å; E9-V11 PolarHBondContact O-N 2.95Å
10	K	54.7	Low	56.5	Low	198 Å²	198	151.7 Å²	151.7	86%	0.861	72%	0.721	S	S	*	*			trans	-63.3	103.6	167.7	-78.7	-176.5	175.2	-175.6	0	106	R8 E12	R8-K10 PolarHBondContact O-N 3.37Å; R8-K10 VanDerWaalsContact O-N 3.11Å; K10-E12 VanDerWaalsContact C-N 3.29Å; K10-E12 PolarHBondContact O-N 3.03Å
11	V	57.6	Low	56.7	Low	134 Å²	134	148 Å²	148	81%	0.812	71%	0.706	S	S	*	*			trans	-65.7	96.5	165.6	-177.9	0	0	0	0	105.7	E9 T13	E9-V11 VanDerWaalsContact C-N 3.34Å; E9-V11 PolarHBondContact O-N 2.95Å; V11-T13 PolarHBondContact O-N 3.26Å
12	E	61.1	Low	58	Low	100 Å²	100	138 Å²	138	47%	0.467	66%	0.66	S	S	.	*			trans	-55.8	130	173.2	-88.8	-175.1	165.2	0	0	108.3	K10 L17 R20	K10-E12 VanDerWaalsContact C-N 3.29Å; K10-E12 PolarHBondContact O-N 3.03Å; E12-L17 HydrophobicContact CB-CD1 4.34Å; E12-R20 IonicContact OE1-NH1 3.78Å
13	T	66.9	Low	59.1	Low	78 Å²	78	137.4 Å²	137.4	48%	0.479	65%	0.654	S	S	.	*			trans	-72.8	147.4	179.6	55.8	0	0	0	0	110.4	V11 E15 E16 L17	V11-T13 PolarHBondContact O-N 3.26Å; T13-E15 PolarHBondContact O-N 2.74Å; T13-E16 PolarHBondContact N-OE2 3.03Å; T13-E16 VanDerWaalsContact N-OE2 3.12Å; T13-E16 PolarHBondContact O-N 3.17Å; T13-E16 WeakPolarHBondContact OG1-CG 3.38Å; T13-E16 PolarHBondContact OG1-OE2 3.07Å; T13-L17 PolarHBondContact O-N 2.93Å; T13-L17 VanDerWaalsContact O-N 3.16Å
14	S	75.6	Confident	59.3	Low	91 Å²	91	136.2 Å²	136.2	64%	0.636	65%	0.646	S	S	*	*	H	α-helix	trans	-52.5	-29.9	177.1	-173.6	0	0	0	0	112.6	R18	S14-R18 PolarHBondContact O-N 2.92Å
15	E	75.3	Confident	59.5	Low	118 Å²	118	129.3 Å²	129.3	55%	0.551	61%	0.611	S	S	*	*	H	α-helix	trans	-74.5	-38.2	178	-159.4	171.2	151.5	0	0	113.4	T13 L17 R18 R19	T13-E15 PolarHBondContact O-N 2.74Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-R18 PolarHBondContact O-N 2.99Å; E15-R19 WeakPolarHBondContact O-CG 3.37Å; E15-R19 PolarHBondContact O-N 3.39Å; E15-R19 IonicContact OE1-NE 3.84Å; E15-R19 IonicContact OE1-NH2 3.36Å; E15-R19 PolarHBondContact OE1-NH2 3.02Å
16	E	67.8	Low	59.8	Low	107 Å²	107	125.7 Å²	125.7	50%	0.5	60%	0.598	S	S	.	*	H	α-helix	trans	-62.7	-41	171.6	-80.1	169.9	134.2	0	0	111.6	T13 R19 R20	T13-E16 PolarHBondContact N-OE2 3.03Å; T13-E16 VanDerWaalsContact N-OE2 3.12Å; T13-E16 PolarHBondContact O-N 3.17Å; T13-E16 WeakPolarHBondContact OG1-CG 3.38Å; T13-E16 PolarHBondContact OG1-OE2 3.07Å; E16-R19 PolarHBondContact O-N 2.86Å; E16-R20 WeakPolarHBondContact O-CB 3.45Å; E16-R20 PolarHBondContact O-N 2.78Å
17	L	66	Low	60.1	Low	74 Å²	74	128.9 Å²	128.9	39%	0.387	60%	0.595	S	S	.	*	H	α-helix	trans	-62	-40.9	173.4	-97.4	148.4	0	0	0	112.1	E12 T13 E15 N21	E12-L17 HydrophobicContact CB-CD1 4.34Å; T13-L17 PolarHBondContact O-N 2.93Å; T13-L17 VanDerWaalsContact O-N 3.16Å; E15-L17 VanDerWaalsContact C-N 3.33Å; L17-N21 WeakPolarHBondContact O-CB 3.26Å; L17-N21 PolarHBondContact O-N 3.38Å; L17-N21 VanDerWaalsContact O-N 3.15Å; L17-N21 PolarHBondContact O-ND2 3.46Å
18	R	73.2	Confident	59.7	Low	196 Å²	196	124.5 Å²	124.5	74%	0.74	58%	0.579	S	S	*	*	H	α-helix	trans	-64.2	-44.6	173.9	-83.7	-179.2	166.4	177	-2.6	112.3	S14 E15 N21 S22	S14-R18 PolarHBondContact O-N 2.92Å; E15-R18 PolarHBondContact O-N 2.99Å; R18-N21 PolarHBondContact O-N 2.92Å; R18-S22 PolarHBondContact O-N 2.97Å; R18-S22 VanDerWaalsContact O-N 3.08Å
19	R	65.2	Low	59.4	Low	171 Å²	171	118 Å²	118	65%	0.645	56%	0.557	S	S	*	*	H	α-helix	trans	-61.6	-46.6	178	-72.6	-179.4	-172.2	-161.2	4	111.8	E15 E16 N21 S22	E15-R19 WeakPolarHBondContact O-CG 3.37Å; E15-R19 PolarHBondContact O-N 3.39Å; E15-R19 IonicContact OE1-NE 3.84Å; E15-R19 IonicContact OE1-NH2 3.36Å; E15-R19 PolarHBondContact OE1-NH2 3.02Å; E16-R19 PolarHBondContact O-N 2.86Å; R19-N21 VanDerWaalsContact C-N 3.26Å; R19-N21 PolarHBondContact O-N 2.95Å; R19-S22 WeakPolarHBondContact O-CB 3.13Å; R19-S22 PolarHBondContact O-N 3.49Å; R19-S22 PolarHBondContact O-OG 3.18Å; R19-S22 VanDerWaalsContact O-OG 3.05Å
20	R	60.5	Low	58.9	Low	131 Å²	131	121.1 Å²	121.1	49%	0.494	56%	0.562	S	S	.	*	H	α-helix	trans	-64.6	-28	179.6	-174.3	179	160.7	170.7	4.4	113.4	E12 E16 K29	E12-R20 IonicContact OE1-NH1 3.78Å; E16-R20 WeakPolarHBondContact O-CB 3.45Å; E16-R20 PolarHBondContact O-N 2.78Å; R20-K29 VanDerWaalsContact NE-NZ 3.15Å
21	N	61.6	Low	58.1	Low	75 Å²	75	114.1 Å²	114.1	40%	0.401	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	2.9	-179.9	-75.9	-31.9	0	0	0	114.1	L17 R18 R19 R26	L17-N21 WeakPolarHBondContact O-CB 3.26Å; L17-N21 PolarHBondContact O-N 3.38Å; L17-N21 VanDerWaalsContact O-N 3.15Å; L17-N21 PolarHBondContact O-ND2 3.46Å; R18-N21 PolarHBondContact O-N 2.92Å; R19-N21 VanDerWaalsContact C-N 3.26Å; R19-N21 PolarHBondContact O-N 2.95Å; N21-R26 PolarHBondContact O-NE 3.41Å; N21-R26 PolarHBondContact O-NH2 3.36Å
22	S	63.2	Low	56.8	Low	35 Å²	35	113.1 Å²	113.1	25%	0.245	53%	0.528	C	S	.	.	S	Bend	trans	-58.5	149.1	176.9	72.5	0	0	0	0	110.6	R18 R19 I24 E25 R26	R18-S22 PolarHBondContact O-N 2.97Å; R18-S22 VanDerWaalsContact O-N 3.08Å; R19-S22 WeakPolarHBondContact O-CB 3.13Å; R19-S22 PolarHBondContact O-N 3.49Å; R19-S22 PolarHBondContact O-OG 3.18Å; R19-S22 VanDerWaalsContact O-OG 3.05Å; S22-I24 PolarHBondContact O-N 3.24Å; S22-E25 PolarHBondContact O-N 3.46Å; S22-E25 PolarHBondContact OG-N 2.91Å; S22-R26 PolarHBondContact O-N 3.44Å
23	P	63.2	Low	55.6	Low	107 Å²	107	110.7 Å²	110.7	70%	0.695	53%	0.529	S	S	*	.	H	α-helix	trans	-52.4	-39	179	-27	34.7	0	0	0	112.6	E25 R26 E27	P23-E25 PolarHBondContact O-N 2.78Å; P23-R26 PolarHBondContact O-N 2.94Å; P23-E27 VanDerWaalsContact O-CB 3.3Å; P23-E27 WeakPolarHBondContact O-CB 3.38Å; P23-E27 PolarHBondContact O-N 2.91Å
24	I	50.8	Low	53.9	Low	116 Å²	116	113 Å²	113	60%	0.595	55%	0.547	S	S	*	.	H	α-helix	trans	-62.4	-42.9	177.9	-60.2	170.5	0	0	0	110.9	S22 E27 R28	S22-I24 PolarHBondContact O-N 3.24Å; I24-E27 PolarHBondContact O-N 3.43Å; I24-R28 PolarHBondContact O-N 3.36Å
25	E	49.3	Very low	51.8	Low	56 Å²	56	110.8 Å²	110.8	26%	0.262	53%	0.526	S	S	.	.	H	α-helix	trans	-79.4	-28.1	-178.2	-119.4	50.9	-172.1	0	0	113	S22 P23 R28 K29	S22-E25 PolarHBondContact O-N 3.46Å; S22-E25 PolarHBondContact OG-N 2.91Å; P23-E25 PolarHBondContact O-N 2.78Å; E25-R28 VanDerWaalsContact OE1-CD 3.31Å; E25-R28 WeakPolarHBondContact OE1-CD 3.34Å; E25-R28 IonicContact OE1-CZ 2.64Å; E25-R28 IonicContact OE1-NE 3.61Å; E25-R28 IonicContact OE1-NH1 3.51Å; E25-R28 PolarHBondContact OE1-NH1 2.96Å; E25-R28 WeakPolarHBondContact OE2-CD 3.3Å; E25-R28 IonicContact OE2-NH1 3.22Å; E25-K29 WeakPolarHBondContact O-CB 3.4Å; E25-K29 WeakPolarHBondContact O-CG 3.27Å; E25-K29 PolarHBondContact O-N 3.41Å
26	R	53.6	Low	49.9	Very low	147 Å²	147	107.5 Å²	107.5	56%	0.555	52%	0.516	S	S	*	.	H	α-helix	trans	-66.8	-39.6	167	-68.3	-176.1	-162.3	-173.1	0.9	111.4	N21 S22 P23 K29 R30	N21-R26 PolarHBondContact O-NE 3.41Å; N21-R26 PolarHBondContact O-NH2 3.36Å; S22-R26 PolarHBondContact O-N 3.44Å; P23-R26 PolarHBondContact O-N 2.94Å; R26-K29 PolarHBondContact O-N 3.18Å; R26-R30 WeakPolarHBondContact O-CB 3.35Å; R26-R30 WeakPolarHBondContact O-CG 3.44Å; R26-R30 PolarHBondContact O-N 2.85Å
27	E	50	Low	48.4	Very low	130 Å²	130	108.9 Å²	108.9	61%	0.607	52%	0.522	S	S	*	.	H	α-helix	trans	-67.4	-42.8	175.8	-165.6	168	-165.8	0	0	110.8	P23 I24 K29 R30 S31	P23-E27 VanDerWaalsContact O-CB 3.3Å; P23-E27 WeakPolarHBondContact O-CB 3.38Å; P23-E27 PolarHBondContact O-N 2.91Å; I24-E27 PolarHBondContact O-N 3.43Å; E27-K29 VanDerWaalsContact C-N 3.35Å; E27-K29 PolarHBondContact O-N 3.16Å; E27-R30 PolarHBondContact O-N 2.68Å; E27-S31 VanDerWaalsContact O-CB 3.29Å; E27-S31 WeakPolarHBondContact O-CB 3.49Å; E27-S31 PolarHBondContact O-N 2.79Å; E27-S31 PolarHBondContact O-OG 2.98Å
28	R	39.6	Very low	46.9	Very low	149 Å²	149	106.7 Å²	106.7	56%	0.562	51%	0.511	S	S	*	.	H	α-helix	trans	-57.4	-42.7	168.8	-90.3	177.6	158.7	177.1	0	112.7	I24 E25 S31 L32	I24-R28 PolarHBondContact O-N 3.36Å; E25-R28 VanDerWaalsContact OE1-CD 3.31Å; E25-R28 WeakPolarHBondContact OE1-CD 3.34Å; E25-R28 IonicContact OE1-CZ 2.64Å; E25-R28 IonicContact OE1-NE 3.61Å; E25-R28 IonicContact OE1-NH1 3.51Å; E25-R28 PolarHBondContact OE1-NH1 2.96Å; E25-R28 WeakPolarHBondContact OE2-CD 3.3Å; E25-R28 IonicContact OE2-NH1 3.22Å; R28-S31 CarbonylContact O-C 3.47Å; R28-S31 PolarHBondContact O-N 3.06Å; R28-S31 PolarHBondContact O-OG 2.94Å; R28-S31 VanDerWaalsContact O-OG 3.1Å; R28-L32 VanDerWaalsContact O-CB 3.3Å; R28-L32 WeakPolarHBondContact O-CB 3.33Å; R28-L32 WeakPolarHBondContact O-CD1 3.43Å; R28-L32 WeakPolarHBondContact O-CG 3.29Å; R28-L32 PolarHBondContact O-N 3.23Å
29	K	41.6	Very low	45.3	Very low	102 Å²	102	99.8 Å²	99.8	44%	0.443	49%	0.485	S	S	.	.	H	α-helix	trans	-70.7	-37	177.5	-78.3	-179.7	-179.7	177	0	113.3	R20 E25 R26 E27 S31 L32	R20-K29 VanDerWaalsContact NE-NZ 3.15Å; E25-K29 WeakPolarHBondContact O-CB 3.4Å; E25-K29 WeakPolarHBondContact O-CG 3.27Å; E25-K29 PolarHBondContact O-N 3.41Å; R26-K29 PolarHBondContact O-N 3.18Å; E27-K29 VanDerWaalsContact C-N 3.35Å; E27-K29 PolarHBondContact O-N 3.16Å; K29-S31 VanDerWaalsContact C-N 3.32Å; K29-L32 HydrophobicContact CG-CD1 4.42Å; K29-L32 PolarHBondContact O-N 3.13Å
30	R	40	Very low	44.1	Very low	228 Å²	228	93.2 Å²	93.2	86%	0.86	46%	0.463	S	S	*	.	H	α-helix	trans	-66.7	-35.2	171.1	-80.3	-177.3	174.4	-175.5	-1.6	111.4	R26 E27 L32	R26-R30 WeakPolarHBondContact O-CB 3.35Å; R26-R30 WeakPolarHBondContact O-CG 3.44Å; R26-R30 PolarHBondContact O-N 2.85Å; E27-R30 PolarHBondContact O-N 2.68Å; R30-L32 VanDerWaalsContact C-N 3.34Å
31	S	38.4	Very low	43.3	Very low	52 Å²	52	87.7 Å²	87.7	36%	0.364	45%	0.446	S	S	.	.	H	α-helix	trans	-82.2	-10.7	175.2	87.7	0	0	0	0	113.6	E27 R28 K29 G33 F35	E27-S31 VanDerWaalsContact O-CB 3.29Å; E27-S31 WeakPolarHBondContact O-CB 3.49Å; E27-S31 PolarHBondContact O-N 2.79Å; E27-S31 PolarHBondContact O-OG 2.98Å; R28-S31 CarbonylContact O-C 3.47Å; R28-S31 PolarHBondContact O-N 3.06Å; R28-S31 PolarHBondContact O-OG 2.94Å; R28-S31 VanDerWaalsContact O-OG 3.1Å; K29-S31 VanDerWaalsContact C-N 3.32Å; S31-G33 PolarHBondContact O-N 2.97Å; S31-F35 WeakPolarHBondContact O-CE2 3.23Å
32	L	30.3	Very low	42.4	Very low	113 Å²	113	86.3 Å²	86.3	59%	0.592	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	15.3	168.6	-84.8	162.8	0	0	0	111.7	R28 K29 R30 C34	R28-L32 VanDerWaalsContact O-CB 3.3Å; R28-L32 WeakPolarHBondContact O-CB 3.33Å; R28-L32 WeakPolarHBondContact O-CD1 3.43Å; R28-L32 WeakPolarHBondContact O-CG 3.29Å; R28-L32 PolarHBondContact O-N 3.23Å; K29-L32 HydrophobicContact CG-CD1 4.42Å; K29-L32 PolarHBondContact O-N 3.13Å; R30-L32 VanDerWaalsContact C-N 3.34Å; L32-C34 PolarHBondContact O-N 3.35Å
33	G	34.8	Very low	41.6	Very low	48 Å²	48	85 Å²	85	50%	0.495	43%	0.43	S	S	.	.	S	Bend	trans	-48.1	112.8	148.6	0	0	0	0	0	106.5	S31 F35	S31-G33 PolarHBondContact O-N 2.97Å; G33-F35 VanDerWaalsContact C-N 3.32Å; G33-F35 WeakPolarHBondContact O-CD2 3.38Å; G33-F35 PolarHBondContact O-N 2.89Å
34	C	31.7	Very low	40.8	Very low	128 Å²	128	84.9 Å²	84.9	87%	0.865	42%	0.42	S	S	*	.			trans	-53.9	93.7	-167.8	-62.3	0	0	0	0	110.4	L32 S36	L32-C34 PolarHBondContact O-N 3.35Å; C34-S36 PolarHBondContact O-N 3.27Å
35	F	31	Very low	40.6	Very low	44 Å²	44	80.6 Å²	80.6	19%	0.193	40%	0.398	C	S	.	.			trans	-65	120.2	158.8	-68.7	-79.6	0	0	0	105.2	S31 G33 H37 Y39 Y78 I81	S31-F35 WeakPolarHBondContact O-CE2 3.23Å; G33-F35 VanDerWaalsContact C-N 3.32Å; G33-F35 WeakPolarHBondContact O-CD2 3.38Å; G33-F35 PolarHBondContact O-N 2.89Å; F35-H37 PolarHBondContact O-N 2.96Å; F35-Y39 HydrophobicContact CB-CD2 4.04Å; F35-Y39 AromaticContact CD1-CD2 3.85Å; F35-Y39 HydrophobicContact CD1-CD2 3.85Å; F35-Y39 AromaticContact CD1-CG 3.94Å; F35-Y39 HydrophobicContact CD1-CG 3.94Å; F35-Y39 HydrophobicContact CG-CD2 4.46Å; F35-Y78 AromaticContact CE1-CD2 3.99Å; F35-Y78 HydrophobicContact CE1-CD2 3.99Å; F35-Y78 HydrophobicContact CZ-CD2 4.11Å; F35-I81 HydrophobicContact CD1-CD1 4.1Å; F35-I81 HydrophobicContact CE1-CD1 3.49Å; F35-I81 VanDerWaalsContact CE1-CD1 3.49Å; F35-I81 HydrophobicContact CZ-CD1 3.99Å
36	S	35.7	Very low	40.4	Very low	48 Å²	48	78.7 Å²	78.7	34%	0.336	39%	0.389	S	S	.	.			trans	-56.4	141.3	162.8	54.9	0	0	0	0	107.1	C34 D38 Y39	C34-S36 PolarHBondContact O-N 3.27Å; S36-D38 VanDerWaalsContact CB-OD2 3.27Å; S36-D38 WeakPolarHBondContact CB-OD2 3.25Å; S36-D38 PolarHBondContact O-N 3.26Å; S36-D38 WeakPolarHBondContact OG-CB 3.44Å; S36-D38 PolarHBondContact OG-OD2 2.85Å; S36-Y39 WeakPolarHBondContact O-CD2 3.45Å; S36-Y39 PolarHBondContact O-N 3.3Å; S36-Y39 WeakPolarHBondContact OG-CE2 3.41Å
37	H	35.9	Very low	40	Very low	136 Å²	136	74.3 Å²	74.3	63%	0.63	37%	0.372	S	S	*	.	H	α-helix	trans	-43.2	-28.8	-179.5	-68.8	-75.9	0	0	0	113.6	F35 Y39 D40 A41	F35-H37 PolarHBondContact O-N 2.96Å; H37-Y39 VanDerWaalsContact C-N 3.3Å; H37-Y39 PolarHBondContact O-N 2.87Å; H37-D40 PolarHBondContact O-N 3.11Å; H37-A41 PolarHBondContact O-N 3Å
38	D	35.9	Very low	39.8	Very low	29 Å²	29	69.7 Å²	69.7	16%	0.155	35%	0.354	C	S	.	.	H	α-helix	trans	-34.5	-50.4	165.3	-47.7	-5.3	0	0	0	114.8	S36 A41 L42 M141 M149	S36-D38 VanDerWaalsContact CB-OD2 3.27Å; S36-D38 WeakPolarHBondContact CB-OD2 3.25Å; S36-D38 PolarHBondContact O-N 3.26Å; S36-D38 WeakPolarHBondContact OG-CB 3.44Å; S36-D38 PolarHBondContact OG-OD2 2.85Å; D38-A41 PolarHBondContact O-N 3.13Å; D38-L42 VanDerWaalsContact O-CG 3.25Å; D38-L42 WeakPolarHBondContact O-CG 3.4Å; D38-L42 PolarHBondContact O-N 3.17Å; D38-L42 VanDerWaalsContact O-N 3.08Å; D38-M141 WeakPolarHBondContact OD1-CE 3.47Å; D38-M149 HydrophobicContact CB-CE 3.3Å; D38-M149 WeakPolarHBondContact OD1-CE 3.37Å
39	Y	38.6	Very low	40.1	Very low	50 Å²	50	68.4 Å²	68.4	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-76.5	-35.5	-171.2	-64.1	-76.2	0	0	0	113.2	F35 S36 H37 A41 L42 A43 I81 V85	F35-Y39 HydrophobicContact CB-CD2 4.04Å; F35-Y39 AromaticContact CD1-CD2 3.85Å; F35-Y39 HydrophobicContact CD1-CD2 3.85Å; F35-Y39 AromaticContact CD1-CG 3.94Å; F35-Y39 HydrophobicContact CD1-CG 3.94Å; F35-Y39 HydrophobicContact CG-CD2 4.46Å; S36-Y39 WeakPolarHBondContact O-CD2 3.45Å; S36-Y39 PolarHBondContact O-N 3.3Å; S36-Y39 WeakPolarHBondContact OG-CE2 3.41Å; H37-Y39 VanDerWaalsContact C-N 3.3Å; H37-Y39 PolarHBondContact O-N 2.87Å; Y39-A41 VanDerWaalsContact C-N 3.32Å; Y39-L42 HydrophobicContact CD1-CD1 4.37Å; Y39-L42 PolarHBondContact O-N 3.48Å; Y39-A43 WeakPolarHBondContact O-CB 3.35Å; Y39-A43 PolarHBondContact O-N 3.35Å; Y39-A43 VanDerWaalsContact O-N 3.09Å; Y39-I81 HydrophobicContact CD1-CG2 3.45Å; Y39-I81 VanDerWaalsContact CD1-CG2 3.45Å; Y39-I81 HydrophobicContact CE1-CG2 3.87Å; Y39-I81 HydrophobicContact CG-CG2 4.28Å; Y39-V85 HydrophobicContact CE1-CG2 4.19Å
40	D	41.3	Very low	40.2	Very low	33 Å²	33	66.3 Å²	66.3	18%	0.176	37%	0.367	C	S	.	.	H	α-helix	trans	-66	-38.9	174.4	-81.2	-31.6	0	0	0	110.4	H37 A43 Q44 R75	H37-D40 PolarHBondContact O-N 3.11Å; D40-A43 PolarHBondContact O-N 3.18Å; D40-Q44 WeakPolarHBondContact O-CB 3.49Å; D40-Q44 VanDerWaalsContact O-CG 3.28Å; D40-Q44 WeakPolarHBondContact O-CG 3.43Å; D40-Q44 PolarHBondContact O-N 3.32Å; D40-R75 IonicContact OD1-CZ 3.39Å; D40-R75 IonicContact OD1-NE 3.59Å; D40-R75 PolarHBondContact OD1-NE 3.33Å; D40-R75 IonicContact OD1-NH2 3.53Å; D40-R75 IonicContact OD2-CZ 2.71Å; D40-R75 VanDerWaalsContact OD2-CZ 3.22Å; D40-R75 IonicContact OD2-NE 3.26Å; D40-R75 IonicContact OD2-NH1 3.24Å; D40-R75 IonicContact OD2-NH2 2.82Å; D40-R75 PolarHBondContact OD2-NH2 3.21Å
41	A	43.8	Very low	40.5	Very low	16 Å²	16	55.5 Å²	55.5	13%	0.132	33%	0.326	C	S	.	.	H	α-helix	trans	-65.6	-42.9	177.1	0	0	0	0	0	112.2	H37 D38 Y39 A43 Q44 L45	H37-A41 PolarHBondContact O-N 3Å; D38-A41 PolarHBondContact O-N 3.13Å; Y39-A41 VanDerWaalsContact C-N 3.32Å; A41-A43 PolarHBondContact O-N 2.85Å; A41-Q44 PolarHBondContact O-N 2.92Å; A41-L45 PolarHBondContact O-N 3.23Å; A41-L45 VanDerWaalsContact O-N 3.1Å
42	L	42.2	Very low	40.8	Very low	46 Å²	46	55 Å²	55	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-57.3	-49.8	174.2	-69.5	174.1	0	0	0	111.1	D38 Y39 L45 F46 F129	D38-L42 VanDerWaalsContact O-CG 3.25Å; D38-L42 WeakPolarHBondContact O-CG 3.4Å; D38-L42 PolarHBondContact O-N 3.17Å; D38-L42 VanDerWaalsContact O-N 3.08Å; Y39-L42 HydrophobicContact CD1-CD1 4.37Å; Y39-L42 PolarHBondContact O-N 3.48Å; L42-L45 PolarHBondContact O-N 2.72Å; L42-F46 WeakPolarHBondContact O-CD2 3.34Å; L42-F46 PolarHBondContact O-N 3.41Å; L42-F46 VanDerWaalsContact O-N 3.17Å; L42-F129 HydrophobicContact CD2-CE1 4.35Å; L42-F129 HydrophobicContact CD2-CE2 3.39Å; L42-F129 HydrophobicContact CD2-CZ 3.2Å
43	A	46	Very low	41.5	Very low	8 Å²	8	50.7 Å²	50.7	7%	0.066	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-45.1	-179.3	0	0	0	0	0	112.1	Y39 D40 A41 L45 F46 W47 P76	Y39-A43 WeakPolarHBondContact O-CB 3.35Å; Y39-A43 PolarHBondContact O-N 3.35Å; Y39-A43 VanDerWaalsContact O-N 3.09Å; D40-A43 PolarHBondContact O-N 3.18Å; A41-A43 PolarHBondContact O-N 2.85Å; A43-L45 VanDerWaalsContact C-N 3.25Å; A43-L45 PolarHBondContact O-N 2.98Å; A43-F46 PolarHBondContact O-N 3.31Å; A43-W47 HydrophobicContact CB-CE3 3.93Å; A43-W47 HydrophobicContact CB-CZ3 3.76Å; A43-W47 WeakPolarHBondContact O-CB 3.48Å; A43-W47 PolarHBondContact O-N 3.48Å; A43-W47 VanDerWaalsContact O-N 3.13Å; A43-P76 HydrophobicContact CB-CG 4.07Å
44	Q	47.1	Very low	42.1	Very low	104 Å²	104	56.1 Å²	56.1	49%	0.486	31%	0.305	S	S	.	.	H	α-helix	trans	-55.9	-39.9	176.4	-82	178.3	11.9	0	0	112.5	D40 A41 S48 Y70	D40-Q44 WeakPolarHBondContact O-CB 3.49Å; D40-Q44 VanDerWaalsContact O-CG 3.28Å; D40-Q44 WeakPolarHBondContact O-CG 3.43Å; D40-Q44 PolarHBondContact O-N 3.32Å; A41-Q44 PolarHBondContact O-N 2.92Å; Q44-S48 PolarHBondContact O-N 3.36Å; Q44-Y70 HydrophobicContact CG-CE1 3.9Å; Q44-Y70 HydrophobicContact CG-CE2 4.49Å; Q44-Y70 WeakPolarHBondContact CG-OH 3.29Å; Q44-Y70 PolarHBondContact NE2-OH 3.14Å
45	L	46.4	Very low	42.7	Very low	26 Å²	26	52.5 Å²	52.5	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-77.7	-42.6	-176.4	-164.7	79.7	0	0	0	113.1	A41 L42 A43 W47 S48 F125 F129	A41-L45 PolarHBondContact O-N 3.23Å; A41-L45 VanDerWaalsContact O-N 3.1Å; L42-L45 PolarHBondContact O-N 2.72Å; A43-L45 VanDerWaalsContact C-N 3.25Å; A43-L45 PolarHBondContact O-N 2.98Å; L45-W47 PolarHBondContact O-N 3.34Å; L45-S48 VanDerWaalsContact O-CB 3.25Å; L45-S48 WeakPolarHBondContact O-CB 3.29Å; L45-S48 PolarHBondContact O-N 3.42Å; L45-F125 HydrophobicContact CD1-CE2 4Å; L45-F125 HydrophobicContact CD1-CZ 4.39Å; L45-F125 HydrophobicContact CD2-CE1 3.99Å; L45-F125 HydrophobicContact CD2-CE2 3.71Å; L45-F125 HydrophobicContact CD2-CZ 3.36Å; L45-F125 HydrophobicContact CG-CE2 3.75Å; L45-F125 HydrophobicContact CG-CZ 3.63Å; L45-F129 HydrophobicContact CB-CD2 4.24Å; L45-F129 HydrophobicContact CB-CE2 4.42Å; L45-F129 HydrophobicContact CD2-CB 3.3Å; L45-F129 HydrophobicContact CD2-CD2 3.05Å; L45-F129 HydrophobicContact CD2-CE2 3.83Å; L45-F129 HydrophobicContact CD2-CG 3.43Å; L45-F129 VanDerWaalsContact CD2-CG 3.43Å; L45-F129 HydrophobicContact CG-CD2 4.22Å
46	F	43.7	Very low	43.3	Very low	16 Å²	16	51.4 Å²	51.4	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-25.3	175.2	-73.7	-62.1	0	0	0	112.4	L42 A43 M56 R57 L60 F62 F129	L42-F46 WeakPolarHBondContact O-CD2 3.34Å; L42-F46 PolarHBondContact O-N 3.41Å; L42-F46 VanDerWaalsContact O-N 3.17Å; A43-F46 PolarHBondContact O-N 3.31Å; F46-M56 HydrophobicContact CE1-CE 3.68Å; F46-M56 HydrophobicContact CZ-CE 4.28Å; F46-R57 VanDerWaalsContact O-CD 3.27Å; F46-R57 WeakPolarHBondContact O-CD 3.39Å; F46-R57 VanDerWaalsContact O-CG 3.29Å; F46-R57 WeakPolarHBondContact O-CG 3.18Å; F46-L60 HydrophobicContact CD1-CD1 3.33Å; F46-L60 HydrophobicContact CD2-CD1 3.87Å; F46-L60 HydrophobicContact CE1-CD1 3.23Å; F46-L60 HydrophobicContact CE2-CD1 3.77Å; F46-L60 HydrophobicContact CG-CD1 3.68Å; F46-L60 HydrophobicContact CZ-CD1 3.46Å; F46-L60 VanDerWaalsContact CZ-CD1 3.46Å; F46-F62 HydrophobicContact CB-CD2 3.66Å; F46-F62 HydrophobicContact CB-CE2 3.3Å; F46-F62 HydrophobicContact CB-CG 4.45Å; F46-F62 HydrophobicContact CB-CZ 3.81Å; F46-F62 AromaticContact CD2-CE2 3.95Å; F46-F62 HydrophobicContact CD2-CE2 3.95Å; F46-F62 HydrophobicContact CD2-CZ 4.38Å; F46-F62 HydrophobicContact CG-CD2 4.28Å; F46-F62 AromaticContact CG-CE2 3.69Å; F46-F62 HydrophobicContact CG-CE2 3.69Å; F46-F62 HydrophobicContact CG-CZ 4.38Å; F46-F129 HydrophobicContact CE2-CZ 4.08Å; F46-F129 HydrophobicContact CZ-CZ 4.12Å
47	W	45.6	Very low	43.9	Very low	54 Å²	54	51.5 Å²	51.5	21%	0.205	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-9.9	170.1	-78	-46.8	0	0	0	115.1	A43 L45 F62 Y70 P76	A43-W47 HydrophobicContact CB-CE3 3.93Å; A43-W47 HydrophobicContact CB-CZ3 3.76Å; A43-W47 WeakPolarHBondContact O-CB 3.48Å; A43-W47 PolarHBondContact O-N 3.48Å; A43-W47 VanDerWaalsContact O-N 3.13Å; L45-W47 PolarHBondContact O-N 3.34Å; W47-F62 AromaticContact CD1-CD1 3.85Å; W47-F62 HydrophobicContact CD2-CD1 4.08Å; W47-F62 HydrophobicContact CD2-CE1 4.07Å; W47-F62 AromaticContact CE2-CD1 3.41Å; W47-F62 VanDerWaalsContact CE2-CD1 3.41Å; W47-F62 AromaticContact CE2-CE1 3.66Å; W47-F62 HydrophobicContact CG-CD1 4.36Å; W47-F62 HydrophobicContact CH2-CE1 4.32Å; W47-F62 AromaticContact CZ2-CD1 3.78Å; W47-F62 HydrophobicContact CZ2-CD1 3.78Å; W47-F62 AromaticContact CZ2-CE1 3.8Å; W47-F62 HydrophobicContact CZ2-CE1 3.8Å; W47-F62 AromaticContact NE1-CD1 3.23Å; W47-F62 AromaticContact NE1-CE1 3.96Å; W47-F62 AromaticContact NE1-CG 3.99Å; W47-Y70 HydrophobicContact CB-CD2 3.96Å; W47-Y70 HydrophobicContact CB-CG 4.27Å; W47-Y70 AromaticContact CD2-CD2 3.63Å; W47-Y70 HydrophobicContact CD2-CD2 3.63Å; W47-Y70 HydrophobicContact CD2-CE2 4.04Å; W47-Y70 AromaticContact CE3-CD2 3.19Å; W47-Y70 HydrophobicContact CE3-CD2 3.19Å; W47-Y70 AromaticContact CE3-CE2 3.12Å; W47-Y70 HydrophobicContact CE3-CE2 3.12Å; W47-Y70 HydrophobicContact CE3-CG 4.44Å; W47-Y70 HydrophobicContact CG-CD2 4Å; W47-Y70 AromaticContact CZ3-CD2 3.75Å; W47-Y70 HydrophobicContact CZ3-CD2 3.75Å; W47-Y70 AromaticContact CZ3-CE2 3.46Å; W47-Y70 HydrophobicContact CZ3-CE2 3.46Å; W47-Y70 VanDerWaalsContact CZ3-CE2 3.46Å; W47-P76 HydrophobicContact CH2-CB 4.07Å; W47-P76 HydrophobicContact CH2-CG 3.59Å; W47-P76 HydrophobicContact CZ3-CG 3.83Å
48	S	45.5	Very low	44.5	Very low	34 Å²	34	48.9 Å²	48.9	24%	0.238	25%	0.254	C	S	.	.	S	Bend	trans	-64.1	136.8	178.5	-179.5	0	0	0	0	110.3	Q44 L45 A50 C51	Q44-S48 PolarHBondContact O-N 3.36Å; L45-S48 VanDerWaalsContact O-CB 3.25Å; L45-S48 WeakPolarHBondContact O-CB 3.29Å; L45-S48 PolarHBondContact O-N 3.42Å; S48-A50 PolarHBondContact O-N 2.67Å; S48-A50 WeakPolarHBondContact OG-CB 3.03Å; S48-A50 PolarHBondContact OG-N 3.15Å; S48-C51 WeakPolarHBondContact O-CB 3.18Å; S48-C51 PolarHBondContact O-N 2.71Å
49	P	46.5	Very low	44.8	Very low	121 Å²	121	51.9 Å²	51.9	79%	0.786	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.2	168.7	-22.4	31.9	0	0	0	112.8	C51	P49-C51 VanDerWaalsContact C-N 3.27Å; P49-C51 PolarHBondContact O-N 2.82Å
50	A	44.6	Very low	44.9	Very low	59 Å²	59	51 Å²	51	49%	0.488	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.2	176.5	0	0	0	0	0	113.7	S48 P52	S48-A50 PolarHBondContact O-N 2.67Å; S48-A50 WeakPolarHBondContact OG-CB 3.03Å; S48-A50 PolarHBondContact OG-N 3.15Å; A50-P52 WeakPolarHBondContact O-CD 3.27Å; A50-P52 VanDerWaalsContact O-N 3.16Å
51	C	45.4	Very low	44.9	Very low	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.288	C	S	.	.			trans	-68.4	106.7	174.5	-173.3	0	0	0	0	109.5	S48 P49 N53 R57 F125	S48-C51 WeakPolarHBondContact O-CB 3.18Å; S48-C51 PolarHBondContact O-N 2.71Å; P49-C51 VanDerWaalsContact C-N 3.27Å; P49-C51 PolarHBondContact O-N 2.82Å; C51-N53 VanDerWaalsContact C-N 3.3Å; C51-N53 PolarHBondContact O-N 3.49Å; C51-R57 PolarHBondContact O-NH2 2.8Å; C51-F125 VanDerWaalsContact CA-CE2 3.42Å; C51-F125 HydrophobicContact CB-CE2 3.88Å; C51-F125 HydrophobicContact CB-CZ 3.75Å
52	P	44.6	Very low	44.9	Very low	42 Å²	42	52.6 Å²	52.6	27%	0.273	29%	0.286	S	S	.	.			trans	-72.6	-27.7	-169.4	28.5	-31.9	0	0	0	111.9	A50 R54 F125	A50-P52 WeakPolarHBondContact O-CD 3.27Å; A50-P52 VanDerWaalsContact O-N 3.16Å; P52-R54 PolarHBondContact O-N 3.12Å; P52-F125 HydrophobicContact CG-CB 4.46Å; P52-F125 HydrophobicContact CG-CG 4.41Å
53	N	45.6	Very low	44.8	Very low	22 Å²	22	53.7 Å²	53.7	12%	0.118	30%	0.297	C	S	.	.			trans	-93	104.5	-168.4	-166.6	-37.7	0	0	0	111.2	C51 L55 M56 R57	C51-N53 VanDerWaalsContact C-N 3.3Å; C51-N53 PolarHBondContact O-N 3.49Å; N53-L55 VanDerWaalsContact C-N 3.28Å; N53-L55 PolarHBondContact O-N 3.34Å; N53-L55 WeakPolarHBondContact OD1-CA 3.44Å; N53-L55 VanDerWaalsContact OD1-CB 3.3Å; N53-L55 WeakPolarHBondContact OD1-CB 3.27Å; N53-L55 PolarHBondContact OD1-N 3.14Å; N53-M56 HydrophobicContact CB-CB 3.85Å; N53-M56 HydrophobicContact CB-CG 3.7Å; N53-M56 HydrophobicContact CB-SD 3.79Å; N53-M56 PolarHBondContact O-N 2.86Å; N53-M56 PolarHBondContact OD1-N 2.7Å; N53-R57 PolarHBondContact O-N 3.49Å
54	R	47.7	Very low	44.6	Very low	162 Å²	162	59.7 Å²	59.7	61%	0.611	33%	0.328	S	S	*	.	H	α-helix	trans	-59.7	-38	173.8	177.2	-179.9	167.8	-177.1	-4.2	112.1	P52 R57 E58	P52-R54 PolarHBondContact O-N 3.12Å; R54-R57 WeakPolarHBondContact O-CB 3.33Å; R54-R57 PolarHBondContact O-N 2.88Å; R54-E58 HydrophobicContact CG-CG 4.44Å; R54-E58 IonicContact CZ-OE1 2.79Å; R54-E58 VanDerWaalsContact CZ-OE1 3.29Å; R54-E58 IonicContact NE-OE1 2.74Å; R54-E58 PolarHBondContact NE-OE1 2.84Å; R54-E58 IonicContact NH2-OE1 3.78Å; R54-E58 PolarHBondContact NH2-OE1 3.35Å; R54-E58 WeakPolarHBondContact O-CG 3.38Å; R54-E58 PolarHBondContact O-N 3.24Å
55	L	43.9	Very low	44.2	Very low	52 Å²	52	56.1 Å²	56.1	27%	0.272	32%	0.319	S	S	.	.	H	α-helix	trans	-70.1	-39	-179.7	-169.9	122.7	0	0	0	111.6	N53 R57 E58 E59 F164 A167	N53-L55 VanDerWaalsContact C-N 3.28Å; N53-L55 PolarHBondContact O-N 3.34Å; N53-L55 WeakPolarHBondContact OD1-CA 3.44Å; N53-L55 VanDerWaalsContact OD1-CB 3.3Å; N53-L55 WeakPolarHBondContact OD1-CB 3.27Å; N53-L55 PolarHBondContact OD1-N 3.14Å; L55-R57 PolarHBondContact O-N 3.48Å; L55-E58 PolarHBondContact O-N 3.24Å; L55-E59 HydrophobicContact CD2-CG 4.15Å; L55-E59 HydrophobicContact CG-CG 4.17Å; L55-E59 VanDerWaalsContact O-CB 3.27Å; L55-E59 WeakPolarHBondContact O-CB 3.38Å; L55-E59 WeakPolarHBondContact O-CG 3.39Å; L55-E59 PolarHBondContact O-N 2.9Å; L55-F164 HydrophobicContact CD2-CD1 3.89Å; L55-F164 HydrophobicContact CD2-CE1 3.96Å; L55-A167 HydrophobicContact CD1-CB 4.08Å; L55-A167 HydrophobicContact CD2-CB 4.09Å
56	M	44.2	Very low	43.8	Very low	22 Å²	22	60.9 Å²	60.9	11%	0.108	35%	0.351	C	S	.	.	H	α-helix	trans	-54.9	-43.5	168.7	-78.8	-176.1	91.5	0	0	110.8	F46 N53 L60 L157 F164	F46-M56 HydrophobicContact CE1-CE 3.68Å; F46-M56 HydrophobicContact CZ-CE 4.28Å; N53-M56 HydrophobicContact CB-CB 3.85Å; N53-M56 HydrophobicContact CB-CG 3.7Å; N53-M56 HydrophobicContact CB-SD 3.79Å; N53-M56 PolarHBondContact O-N 2.86Å; N53-M56 PolarHBondContact OD1-N 2.7Å; M56-L60 VanDerWaalsContact O-CB 3.27Å; M56-L60 WeakPolarHBondContact O-CB 3.49Å; M56-L60 WeakPolarHBondContact O-CD1 3.23Å; M56-L60 WeakPolarHBondContact O-CG 3.19Å; M56-L60 PolarHBondContact O-N 2.81Å; M56-L157 HydrophobicContact CE-CD2 3.83Å; M56-F164 HydrophobicContact CB-CE1 4.36Å; M56-F164 HydrophobicContact CB-CZ 4.49Å; M56-F164 HydrophobicContact CE-CZ 4.24Å; M56-F164 HydrophobicContact CG-CD1 4.26Å; M56-F164 HydrophobicContact CG-CE1 3.33Å; M56-F164 HydrophobicContact CG-CE2 4.26Å; M56-F164 HydrophobicContact CG-CZ 3.35Å; M56-F164 HydrophobicContact SD-CZ 4.28Å
57	R	47.9	Very low	43.4	Very low	49 Å²	49	70 Å²	70	19%	0.185	39%	0.387	C	S	.	.	H	α-helix	trans	-62.7	-54.8	177.3	-72.6	-176.4	-83	-172.5	-5.2	111.2	F46 C51 N53 R54 L55 E59 L60 G61 F62	F46-R57 VanDerWaalsContact O-CD 3.27Å; F46-R57 WeakPolarHBondContact O-CD 3.39Å; F46-R57 VanDerWaalsContact O-CG 3.29Å; F46-R57 WeakPolarHBondContact O-CG 3.18Å; C51-R57 PolarHBondContact O-NH2 2.8Å; N53-R57 PolarHBondContact O-N 3.49Å; R54-R57 WeakPolarHBondContact O-CB 3.33Å; R54-R57 PolarHBondContact O-N 2.88Å; L55-R57 PolarHBondContact O-N 3.48Å; R57-E59 PolarHBondContact O-N 3.34Å; R57-L60 PolarHBondContact O-N 3.1Å; R57-G61 PolarHBondContact O-N 3.47Å; R57-F62 CarbonylContact C-O 3.49Å; R57-F62 HydrophobicContact CB-CB 3.97Å; R57-F62 WeakPolarHBondContact CB-O 3.37Å; R57-F62 HydrophobicContact CG-CB 4.48Å; R57-F62 CarbonylContact O-C 3.51Å; R57-F62 VanDerWaalsContact O-CA 3.23Å; R57-F62 WeakPolarHBondContact O-CA 3.49Å; R57-F62 WeakPolarHBondContact O-CB 3.27Å; R57-F62 WeakPolarHBondContact O-CD2 3.49Å; R57-F62 PolarHBondContact O-N 3.43Å
58	E	47.8	Very low	42.9	Very low	82 Å²	82	70.5 Å²	70.5	38%	0.383	39%	0.393	S	S	.	.	H	α-helix	trans	-61.4	-45	-178	-70.8	174	173.4	0	0	113.4	R54 L55 L60 G61	R54-E58 HydrophobicContact CG-CG 4.44Å; R54-E58 IonicContact CZ-OE1 2.79Å; R54-E58 VanDerWaalsContact CZ-OE1 3.29Å; R54-E58 IonicContact NE-OE1 2.74Å; R54-E58 PolarHBondContact NE-OE1 2.84Å; R54-E58 IonicContact NH2-OE1 3.78Å; R54-E58 PolarHBondContact NH2-OE1 3.35Å; R54-E58 WeakPolarHBondContact O-CG 3.38Å; R54-E58 PolarHBondContact O-N 3.24Å; L55-E58 PolarHBondContact O-N 3.24Å; E58-L60 VanDerWaalsContact C-N 3.31Å; E58-L60 PolarHBondContact O-N 3.39Å; E58-G61 PolarHBondContact O-N 2.89Å
59	E	41.6	Very low	42.3	Very low	91 Å²	91	74.1 Å²	74.1	43%	0.425	41%	0.41	S	S	.	.	H	α-helix	trans	-67	-30	179.3	-77.3	-79.2	167.3	0	0	112.9	L55 R57 G61 R163	L55-E59 HydrophobicContact CD2-CG 4.15Å; L55-E59 HydrophobicContact CG-CG 4.17Å; L55-E59 VanDerWaalsContact O-CB 3.27Å; L55-E59 WeakPolarHBondContact O-CB 3.38Å; L55-E59 WeakPolarHBondContact O-CG 3.39Å; L55-E59 PolarHBondContact O-N 2.9Å; R57-E59 PolarHBondContact O-N 3.34Å; E59-G61 PolarHBondContact O-N 3.5Å; E59-R163 IonicContact OE1-CZ 3.29Å; E59-R163 IonicContact OE1-NH1 3.39Å; E59-R163 IonicContact OE1-NH2 2.93Å; E59-R163 PolarHBondContact OE1-NH2 2.95Å; E59-R163 IonicContact OE2-CZ 3.99Å; E59-R163 IonicContact OE2-NH1 3.62Å; E59-R163 PolarHBondContact OE2-NH1 3.41Å; E59-R163 IonicContact OE2-NH2 3.95Å; E59-R163 PolarHBondContact OE2-NH2 3.3Å
60	L	41.9	Very low	41.9	Very low	33 Å²	33	73.8 Å²	73.8	17%	0.173	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	5.3	172.7	-61.5	169.1	0	0	0	112.5	F46 M56 R57 E58 F62 L84	F46-L60 HydrophobicContact CD1-CD1 3.33Å; F46-L60 HydrophobicContact CD2-CD1 3.87Å; F46-L60 HydrophobicContact CE1-CD1 3.23Å; F46-L60 HydrophobicContact CE2-CD1 3.77Å; F46-L60 HydrophobicContact CG-CD1 3.68Å; F46-L60 HydrophobicContact CZ-CD1 3.46Å; F46-L60 VanDerWaalsContact CZ-CD1 3.46Å; M56-L60 VanDerWaalsContact O-CB 3.27Å; M56-L60 WeakPolarHBondContact O-CB 3.49Å; M56-L60 WeakPolarHBondContact O-CD1 3.23Å; M56-L60 WeakPolarHBondContact O-CG 3.19Å; M56-L60 PolarHBondContact O-N 2.81Å; R57-L60 PolarHBondContact O-N 3.1Å; E58-L60 VanDerWaalsContact C-N 3.31Å; E58-L60 PolarHBondContact O-N 3.39Å; L60-F62 HydrophobicContact CB-CD2 3.41Å; L60-F62 VanDerWaalsContact CB-CD2 3.41Å; L60-F62 HydrophobicContact CB-CE2 3.33Å; L60-F62 HydrophobicContact CB-CZ 4.45Å; L60-F62 HydrophobicContact CD1-CD2 4.25Å; L60-F62 HydrophobicContact CD1-CE2 3.89Å; L60-F62 HydrophobicContact CG-CD2 4.47Å; L60-F62 HydrophobicContact CG-CE2 4.24Å; L60-L84 HydrophobicContact CB-CD2 3.9Å; L60-L84 HydrophobicContact CD2-CD2 3.56Å; L60-L84 HydrophobicContact CG-CD2 4.33Å
61	G	41.9	Very low	41.6	Very low	64 Å²	64	78.1 Å²	78.1	66%	0.66	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	9.4	-180	0	0	0	0	0	114.9	R57 E58 E59 S63	R57-G61 PolarHBondContact O-N 3.47Å; E58-G61 PolarHBondContact O-N 2.89Å; E59-G61 PolarHBondContact O-N 3.5Å; G61-S63 PolarHBondContact O-N 3.09Å
62	F	43.3	Very low	41.3	Very low	18 Å²	18	81.5 Å²	81.5	8%	0.079	43%	0.431	C	S	.	.			trans	-92.9	67.6	176.5	-47.7	-69.6	0	0	0	111	F46 W47 R57 L60 L84	F46-F62 HydrophobicContact CB-CD2 3.66Å; F46-F62 HydrophobicContact CB-CE2 3.3Å; F46-F62 HydrophobicContact CB-CG 4.45Å; F46-F62 HydrophobicContact CB-CZ 3.81Å; F46-F62 AromaticContact CD2-CE2 3.95Å; F46-F62 HydrophobicContact CD2-CE2 3.95Å; F46-F62 HydrophobicContact CD2-CZ 4.38Å; F46-F62 HydrophobicContact CG-CD2 4.28Å; F46-F62 AromaticContact CG-CE2 3.69Å; F46-F62 HydrophobicContact CG-CE2 3.69Å; F46-F62 HydrophobicContact CG-CZ 4.38Å; W47-F62 AromaticContact CD1-CD1 3.85Å; W47-F62 HydrophobicContact CD2-CD1 4.08Å; W47-F62 HydrophobicContact CD2-CE1 4.07Å; W47-F62 AromaticContact CE2-CD1 3.41Å; W47-F62 VanDerWaalsContact CE2-CD1 3.41Å; W47-F62 AromaticContact CE2-CE1 3.66Å; W47-F62 HydrophobicContact CG-CD1 4.36Å; W47-F62 HydrophobicContact CH2-CE1 4.32Å; W47-F62 AromaticContact CZ2-CD1 3.78Å; W47-F62 HydrophobicContact CZ2-CD1 3.78Å; W47-F62 AromaticContact CZ2-CE1 3.8Å; W47-F62 HydrophobicContact CZ2-CE1 3.8Å; W47-F62 AromaticContact NE1-CD1 3.23Å; W47-F62 AromaticContact NE1-CE1 3.96Å; W47-F62 AromaticContact NE1-CG 3.99Å; R57-F62 CarbonylContact C-O 3.49Å; R57-F62 HydrophobicContact CB-CB 3.97Å; R57-F62 WeakPolarHBondContact CB-O 3.37Å; R57-F62 HydrophobicContact CG-CB 4.48Å; R57-F62 CarbonylContact O-C 3.51Å; R57-F62 VanDerWaalsContact O-CA 3.23Å; R57-F62 WeakPolarHBondContact O-CA 3.49Å; R57-F62 WeakPolarHBondContact O-CB 3.27Å; R57-F62 WeakPolarHBondContact O-CD2 3.49Å; R57-F62 PolarHBondContact O-N 3.43Å; L60-F62 HydrophobicContact CB-CD2 3.41Å; L60-F62 VanDerWaalsContact CB-CD2 3.41Å; L60-F62 HydrophobicContact CB-CE2 3.33Å; L60-F62 HydrophobicContact CB-CZ 4.45Å; L60-F62 HydrophobicContact CD1-CD2 4.25Å; L60-F62 HydrophobicContact CD1-CE2 3.89Å; L60-F62 HydrophobicContact CG-CD2 4.47Å; L60-F62 HydrophobicContact CG-CE2 4.24Å; F62-L84 HydrophobicContact CZ-CD1 4.42Å
63	S	40.6	Very low	40.9	Very low	69 Å²	69	90.5 Å²	90.5	48%	0.483	46%	0.461	S	S	.	.			trans	-78.9	143.4	172.4	76.7	0	0	0	0	111	G61 G65 N68	G61-S63 PolarHBondContact O-N 3.09Å; S63-G65 PolarHBondContact O-N 2.82Å; S63-N68 PolarHBondContact O-ND2 2.69Å
64	L	40.7	Very low	40.5	Very low	134 Å²	134	98.4 Å²	98.4	70%	0.702	49%	0.49	S	S	*	.			trans	-72.1	51.7	174.7	-70	166.2	0	0	0	112.1
65	G	39	Very low	40	Very low	29 Å²	29	97.3 Å²	97.3	30%	0.299	49%	0.486	S	S	.	.			trans	-61.5	157.9	171.2	0	0	0	0	0	111.7	S63 Y67 N68	S63-G65 PolarHBondContact O-N 2.82Å; G65-Y67 PolarHBondContact O-N 2.76Å; G65-N68 WeakPolarHBondContact O-CB 3.44Å; G65-N68 PolarHBondContact O-N 3.25Å
66	P	38.4	Very low	39.8	Very low	125 Å²	125	95.9 Å²	95.9	81%	0.812	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.1	-172.4	23.2	-33.4	0	0	0	114.9
67	Y	35.2	Very low	39.6	Very low	209 Å²	209	97 Å²	97	82%	0.82	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	8.5	178.8	-61.9	-75.2	0	0	0	113.8	G65 N69	G65-Y67 PolarHBondContact O-N 2.76Å; Y67-N69 VanDerWaalsContact C-N 3.35Å; Y67-N69 PolarHBondContact O-N 3.24Å; Y67-N69 VanDerWaalsContact O-N 3.16Å
68	N	35.3	Very low	39.1	Very low	64 Å²	64	101.3 Å²	101.3	34%	0.342	51%	0.507	S	S	.	.			trans	-94.7	53.8	-167.8	-133.8	5.9	0	0	0	114.2	S63 G65	S63-N68 PolarHBondContact O-ND2 2.69Å; G65-N68 WeakPolarHBondContact O-CB 3.44Å; G65-N68 PolarHBondContact O-N 3.25Å
69	N	32.8	Very low	38.7	Very low	110 Å²	110	102.7 Å²	102.7	59%	0.588	52%	0.517	S	S	*	.			trans	-87	112.1	164.3	-75.3	-30.5	0	0	0	107.7	Y67 L71 S72	Y67-N69 VanDerWaalsContact C-N 3.35Å; Y67-N69 PolarHBondContact O-N 3.24Å; Y67-N69 VanDerWaalsContact O-N 3.16Å; N69-L71 HydrophobicContact CB-CB 4.31Å; N69-L71 PolarHBondContact O-N 3.21Å; N69-S72 PolarHBondContact O-N 2.8Å; N69-S72 PolarHBondContact O-OG 3.26Å
70	Y	38.1	Very low	38.6	Very low	113 Å²	113	102.9 Å²	102.9	44%	0.443	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-17.7	169.3	-170.3	-106.4	0	0	0	112.5	Q44 W47 S72	Q44-Y70 HydrophobicContact CG-CE1 3.9Å; Q44-Y70 HydrophobicContact CG-CE2 4.49Å; Q44-Y70 WeakPolarHBondContact CG-OH 3.29Å; Q44-Y70 PolarHBondContact NE2-OH 3.14Å; W47-Y70 HydrophobicContact CB-CD2 3.96Å; W47-Y70 HydrophobicContact CB-CG 4.27Å; W47-Y70 AromaticContact CD2-CD2 3.63Å; W47-Y70 HydrophobicContact CD2-CD2 3.63Å; W47-Y70 HydrophobicContact CD2-CE2 4.04Å; W47-Y70 AromaticContact CE3-CD2 3.19Å; W47-Y70 HydrophobicContact CE3-CD2 3.19Å; W47-Y70 AromaticContact CE3-CE2 3.12Å; W47-Y70 HydrophobicContact CE3-CE2 3.12Å; W47-Y70 HydrophobicContact CE3-CG 4.44Å; W47-Y70 HydrophobicContact CG-CD2 4Å; W47-Y70 AromaticContact CZ3-CD2 3.75Å; W47-Y70 HydrophobicContact CZ3-CD2 3.75Å; W47-Y70 AromaticContact CZ3-CE2 3.46Å; W47-Y70 HydrophobicContact CZ3-CE2 3.46Å; W47-Y70 VanDerWaalsContact CZ3-CE2 3.46Å; Y70-S72 VanDerWaalsContact C-N 3.29Å; Y70-S72 PolarHBondContact O-N 3.26Å
71	L	37.8	Very low	38.4	Very low	150 Å²	150	102.2 Å²	102.2	79%	0.785	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.3	168.6	-67.7	166.1	0	0	0	113.8	N69 Y73	N69-L71 HydrophobicContact CB-CB 4.31Å; N69-L71 PolarHBondContact O-N 3.21Å; L71-Y73 WeakPolarHBondContact O-CD2 3.32Å; L71-Y73 PolarHBondContact O-N 3.44Å
72	S	38.8	Very low	38	Very low	71 Å²	71	100.6 Å²	100.6	50%	0.497	49%	0.49	S	S	.	.	S	Bend	trans	-90.9	70.6	176.1	64.6	0	0	0	0	111.6	N69 Y70 R74	N69-S72 PolarHBondContact O-N 2.8Å; N69-S72 PolarHBondContact O-OG 3.26Å; Y70-S72 VanDerWaalsContact C-N 3.29Å; Y70-S72 PolarHBondContact O-N 3.26Å; S72-R74 VanDerWaalsContact C-N 3.26Å; S72-R74 PolarHBondContact O-N 3.37Å
73	Y	36.6	Very low	37.8	Very low	231 Å²	231	107.4 Å²	107.4	91%	0.906	52%	0.519	S	S	*	.			trans	26.6	14.1	149.8	-68.8	-74	0	0	0	124	L71	L71-Y73 WeakPolarHBondContact O-CD2 3.32Å; L71-Y73 PolarHBondContact O-N 3.44Å
74	R	37	Very low	37.6	Very low	189 Å²	189	107 Å²	107	71%	0.713	51%	0.511	S	S	*	.			trans	-97.7	99.9	171.8	-161.5	178.1	-176.9	-158.2	0.8	110.1	S72	S72-R74 VanDerWaalsContact C-N 3.26Å; S72-R74 PolarHBondContact O-N 3.37Å
75	R	37.1	Very low	37.3	Very low	139 Å²	139	102.1 Å²	102.1	53%	0.525	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-52.8	136.4	162.6	-82.9	-175.9	169.9	-174.5	-2.8	109.3	D40	D40-R75 IonicContact OD1-CZ 3.39Å; D40-R75 IonicContact OD1-NE 3.59Å; D40-R75 PolarHBondContact OD1-NE 3.33Å; D40-R75 IonicContact OD1-NH2 3.53Å; D40-R75 IonicContact OD2-CZ 2.71Å; D40-R75 VanDerWaalsContact OD2-CZ 3.22Å; D40-R75 IonicContact OD2-NE 3.26Å; D40-R75 IonicContact OD2-NH1 3.24Å; D40-R75 IonicContact OD2-NH2 2.82Å; D40-R75 PolarHBondContact OD2-NH2 3.21Å
76	P	40.7	Very low	36.8	Very low	21 Å²	21	106.7 Å²	106.7	14%	0.136	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-62.6	142.2	174	20.6	-20.3	0	0	0	109.3	A43 W47 E80 I81	A43-P76 HydrophobicContact CB-CG 4.07Å; W47-P76 HydrophobicContact CH2-CB 4.07Å; W47-P76 HydrophobicContact CH2-CG 3.59Å; W47-P76 HydrophobicContact CZ3-CG 3.83Å; P76-E80 HydrophobicContact CB-CB 4.44Å; P76-I81 HydrophobicContact CB-CD1 4.47Å; P76-I81 HydrophobicContact CB-CG1 4.26Å; P76-I81 HydrophobicContact CG-CD1 4.19Å; P76-I81 HydrophobicContact CG-CG1 4.24Å
77	S	39.2	Very low	36.4	Very low	45 Å²	45	104.5 Å²	104.5	32%	0.315	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-69.6	156.4	-177.5	66.2	0	0	0	0	111.3	N79 E80 I81	S77-N79 PolarHBondContact O-N 3.25Å; S77-N79 VanDerWaalsContact O-N 3.09Å; S77-E80 WeakPolarHBondContact CB-OE2 3.42Å; S77-E80 PolarHBondContact N-OE2 2.91Å; S77-E80 PolarHBondContact O-N 3.31Å; S77-E80 WeakPolarHBondContact OG-CG 3.37Å; S77-E80 PolarHBondContact OG-N 2.94Å; S77-E80 PolarHBondContact OG-OE2 3.47Å; S77-I81 PolarHBondContact O-N 3.02Å
78	Y	36.9	Very low	36.3	Very low	141 Å²	141	96.8 Å²	96.8	55%	0.553	46%	0.464	S	S	*	.	H	α-helix	trans	-49.4	-38.3	174.4	178.1	-102.4	0	0	0	112.2	F35 I81 N82	F35-Y78 AromaticContact CE1-CD2 3.99Å; F35-Y78 HydrophobicContact CE1-CD2 3.99Å; F35-Y78 HydrophobicContact CZ-CD2 4.11Å; Y78-I81 PolarHBondContact O-N 3.21Å; Y78-N82 WeakPolarHBondContact CE1-ND2 3.38Å; Y78-N82 VanDerWaalsContact O-CB 3.27Å; Y78-N82 WeakPolarHBondContact O-CB 3.29Å; Y78-N82 PolarHBondContact O-N 3.43Å; Y78-N82 PolarHBondContact OH-ND2 2.85Å
79	N	40.1	Very low	35.9	Very low	111 Å²	111	98.9 Å²	98.9	59%	0.594	48%	0.484	S	S	*	.	H	α-helix	trans	-71	-35.6	-179.8	-72.6	-15.8	0	0	0	113.5	S77 K83	S77-N79 PolarHBondContact O-N 3.25Å; S77-N79 VanDerWaalsContact O-N 3.09Å; N79-K83 WeakPolarHBondContact O-CB 3.36Å; N79-K83 VanDerWaalsContact O-CG 3.26Å; N79-K83 WeakPolarHBondContact O-CG 2.93Å; N79-K83 PolarHBondContact O-N 3.5Å
80	E	39.8	Very low	35.8	Very low	95 Å²	95	98.7 Å²	98.7	44%	0.444	49%	0.486	S	S	.	.	H	α-helix	trans	-67	-43.7	174.5	-71.5	160.7	136.7	0	0	109.8	P76 S77 K83 L84	P76-E80 HydrophobicContact CB-CB 4.44Å; S77-E80 WeakPolarHBondContact CB-OE2 3.42Å; S77-E80 PolarHBondContact N-OE2 2.91Å; S77-E80 PolarHBondContact O-N 3.31Å; S77-E80 WeakPolarHBondContact OG-CG 3.37Å; S77-E80 PolarHBondContact OG-N 2.94Å; S77-E80 PolarHBondContact OG-OE2 3.47Å; E80-K83 PolarHBondContact O-N 2.92Å; E80-L84 WeakPolarHBondContact O-CG 3.13Å; E80-L84 PolarHBondContact O-N 2.71Å
81	I	36.9	Very low	35.4	Very low	19 Å²	19	101.6 Å²	101.6	10%	0.097	50%	0.503	C	S	.	.	H	α-helix	trans	-66.2	-42.8	175.3	-63.9	164.9	0	0	0	111.3	F35 Y39 P76 S77 Y78 K83 L84 V85	F35-I81 HydrophobicContact CD1-CD1 4.1Å; F35-I81 HydrophobicContact CE1-CD1 3.49Å; F35-I81 VanDerWaalsContact CE1-CD1 3.49Å; F35-I81 HydrophobicContact CZ-CD1 3.99Å; Y39-I81 HydrophobicContact CD1-CG2 3.45Å; Y39-I81 VanDerWaalsContact CD1-CG2 3.45Å; Y39-I81 HydrophobicContact CE1-CG2 3.87Å; Y39-I81 HydrophobicContact CG-CG2 4.28Å; P76-I81 HydrophobicContact CB-CD1 4.47Å; P76-I81 HydrophobicContact CB-CG1 4.26Å; P76-I81 HydrophobicContact CG-CD1 4.19Å; P76-I81 HydrophobicContact CG-CG1 4.24Å; S77-I81 PolarHBondContact O-N 3.02Å; Y78-I81 PolarHBondContact O-N 3.21Å; I81-K83 VanDerWaalsContact C-N 3.32Å; I81-K83 PolarHBondContact O-N 3.29Å; I81-L84 WeakPolarHBondContact O-CA 3.28Å; I81-L84 VanDerWaalsContact O-CB 3.24Å; I81-L84 WeakPolarHBondContact O-CB 3.35Å; I81-L84 PolarHBondContact O-N 3.3Å; I81-L84 VanDerWaalsContact O-N 3.08Å; I81-V85 HydrophobicContact CG2-CG2 4.45Å; I81-V85 WeakPolarHBondContact O-CG2 3.3Å; I81-V85 PolarHBondContact O-N 3.19Å; I81-V85 VanDerWaalsContact O-N 3.15Å
82	N	34.4	Very low	35.1	Very low	29 Å²	29	97.5 Å²	97.5	16%	0.155	48%	0.482	C	S	.	.	H	α-helix	trans	-69.6	-27.8	179.1	-115.5	-1.3	0	0	0	112.7	Y78 L84 V85 N86	Y78-N82 WeakPolarHBondContact CE1-ND2 3.38Å; Y78-N82 VanDerWaalsContact O-CB 3.27Å; Y78-N82 WeakPolarHBondContact O-CB 3.29Å; Y78-N82 PolarHBondContact O-N 3.43Å; Y78-N82 PolarHBondContact OH-ND2 2.85Å; N82-L84 PolarHBondContact O-N 2.92Å; N82-V85 PolarHBondContact O-N 3.16Å; N82-V85 VanDerWaalsContact O-N 3.15Å; N82-N86 VanDerWaalsContact O-CB 3.28Å; N82-N86 WeakPolarHBondContact O-CB 3.07Å; N82-N86 PolarHBondContact O-N 2.8Å
83	K	38.1	Very low	34.8	Very low	161 Å²	161	101.7 Å²	101.7	70%	0.7	50%	0.498	S	S	*	.	H	α-helix	trans	-63	-34.6	170.1	-79.7	174.2	-179.1	-176.9	0	111.3	N79 E80 I81 V85	N79-K83 WeakPolarHBondContact O-CB 3.36Å; N79-K83 VanDerWaalsContact O-CG 3.26Å; N79-K83 WeakPolarHBondContact O-CG 2.93Å; N79-K83 PolarHBondContact O-N 3.5Å; E80-K83 PolarHBondContact O-N 2.92Å; I81-K83 VanDerWaalsContact C-N 3.32Å; I81-K83 PolarHBondContact O-N 3.29Å; K83-V85 VanDerWaalsContact C-N 3.32Å
84	L	35.9	Very low	34.9	Very low	60 Å²	60	93.2 Å²	93.2	31%	0.314	47%	0.468	S	S	.	.	H	α-helix	trans	-67.8	-33.7	172.8	-58.2	174.9	0	0	0	112	L60 F62 E80 I81 N82	L60-L84 HydrophobicContact CB-CD2 3.9Å; L60-L84 HydrophobicContact CD2-CD2 3.56Å; L60-L84 HydrophobicContact CG-CD2 4.33Å; F62-L84 HydrophobicContact CZ-CD1 4.42Å; E80-L84 WeakPolarHBondContact O-CG 3.13Å; E80-L84 PolarHBondContact O-N 2.71Å; I81-L84 WeakPolarHBondContact O-CA 3.28Å; I81-L84 VanDerWaalsContact O-CB 3.24Å; I81-L84 WeakPolarHBondContact O-CB 3.35Å; I81-L84 PolarHBondContact O-N 3.3Å; I81-L84 VanDerWaalsContact O-N 3.08Å; N82-L84 PolarHBondContact O-N 2.92Å
85	V	34.4	Very low	34.8	Very low	33 Å²	33	87 Å²	87	20%	0.2	45%	0.454	C	S	.	.	H	α-helix	trans	-93.6	-41.4	-171.6	178.2	0	0	0	0	113.8	Y39 I81 N82 K83 V87 T88	Y39-V85 HydrophobicContact CE1-CG2 4.19Å; I81-V85 HydrophobicContact CG2-CG2 4.45Å; I81-V85 WeakPolarHBondContact O-CG2 3.3Å; I81-V85 PolarHBondContact O-N 3.19Å; I81-V85 VanDerWaalsContact O-N 3.15Å; N82-V85 PolarHBondContact O-N 3.16Å; N82-V85 VanDerWaalsContact O-N 3.15Å; K83-V85 VanDerWaalsContact C-N 3.32Å; V85-V87 PolarHBondContact O-N 3.28Å; V85-T88 WeakPolarHBondContact O-CB 3.43Å; V85-T88 WeakPolarHBondContact O-CG2 3.47Å; V85-T88 PolarHBondContact O-N 3.37Å; V85-T88 PolarHBondContact O-OG1 2.86Å
86	N	29.5	Very low	35	Very low	124 Å²	124	82.7 Å²	82.7	66%	0.663	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-6.9	-173.4	-83.2	-23	0	0	0	114.6	N82 T88	N82-N86 VanDerWaalsContact O-CB 3.28Å; N82-N86 WeakPolarHBondContact O-CB 3.07Å; N82-N86 PolarHBondContact O-N 2.8Å; N86-T88 PolarHBondContact O-N 3.06Å
87	V	29.3	Very low	35	Very low	80 Å²	80	91 Å²	91	49%	0.485	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.2	168.7	177.4	0	0	0	0	110.4	V85 R159	V85-V87 PolarHBondContact O-N 3.28Å; V87-R159 PolarHBondContact O-NH1 2.94Å
88	T	33.5	Very low	35.1	Very low	47 Å²	47	98.6 Å²	98.6	29%	0.288	50%	0.5	S	S	.	.			trans	-111.1	110.8	-162.8	74.9	0	0	0	0	114.8	V85 N86 Y155	V85-T88 WeakPolarHBondContact O-CB 3.43Å; V85-T88 WeakPolarHBondContact O-CG2 3.47Å; V85-T88 PolarHBondContact O-N 3.37Å; V85-T88 PolarHBondContact O-OG1 2.86Å; N86-T88 PolarHBondContact O-N 3.06Å; T88-Y155 VanDerWaalsContact CB-CE1 3.4Å; T88-Y155 HydrophobicContact CG2-CD1 3.74Å; T88-Y155 HydrophobicContact CG2-CE1 3.41Å; T88-Y155 VanDerWaalsContact CG2-CE1 3.41Å
89	S	26.5	Very low	35.6	Very low	108 Å²	108	93.4 Å²	93.4	76%	0.755	48%	0.481	S	S	*	.			trans	-148.7	89.2	165.8	63.9	0	0	0	0	111.3
90	V	31.7	Very low	35.8	Very low	106 Å²	106	90.7 Å²	90.7	64%	0.642	47%	0.474	S	S	*	.			trans	-143.4	134.4	158	-179.6	0	0	0	0	109	I92 Y155	V90-I92 PolarHBondContact O-N 3.22Å; V90-Y155 HydrophobicContact CB-CD2 4.48Å; V90-Y155 HydrophobicContact CB-CE2 3.93Å; V90-Y155 HydrophobicContact CG2-CE2 4.01Å
91	H	28.3	Very low	36.4	Very low	174 Å²	174	89.3 Å²	89.3	81%	0.806	49%	0.485	S	S	*	.			trans	-71	110.3	178.2	-64.2	-76.9	0	0	0	111.5	N93	H91-N93 PolarHBondContact O-N 3.37Å
92	I	33.4	Very low	37.1	Very low	64 Å²	64	94.3 Å²	94.3	33%	0.328	50%	0.502	S	S	.	.			trans	-79.9	111.7	155	-64.8	169.7	0	0	0	105.8	V90 L94 Q151 V154	V90-I92 PolarHBondContact O-N 3.22Å; I92-L94 HydrophobicContact CG2-CD1 3.87Å; I92-L94 HydrophobicContact CG2-CG 3.81Å; I92-L94 PolarHBondContact O-N 3.37Å; I92-Q151 HydrophobicContact CB-CG 4.18Å; I92-Q151 HydrophobicContact CD1-CB 4.12Å; I92-Q151 HydrophobicContact CD1-CG 4.3Å; I92-Q151 HydrophobicContact CG2-CG 4.17Å; I92-Q151 PolarHBondContact O-NE2 3.32Å; I92-V154 HydrophobicContact CD1-CG1 4.43Å
93	N	32.1	Very low	38	Very low	158 Å²	158	93.7 Å²	93.7	85%	0.845	50%	0.498	S	S	*	.			trans	-72.1	73.3	174.8	-81.9	-17.8	0	0	0	110.6	H91	H91-N93 PolarHBondContact O-N 3.37Å
94	L	37.5	Very low	38.9	Very low	53 Å²	53	91.8 Å²	91.8	28%	0.277	49%	0.491	S	S	.	.			trans	-101.7	126.5	160.1	-63	163.7	0	0	0	107.7	I92 P96 L106 L147 Q151	I92-L94 HydrophobicContact CG2-CD1 3.87Å; I92-L94 HydrophobicContact CG2-CG 3.81Å; I92-L94 PolarHBondContact O-N 3.37Å; L94-P96 WeakPolarHBondContact O-CD 3.34Å; L94-L106 HydrophobicContact CD1-CD1 3.57Å; L94-L106 HydrophobicContact CD1-CD2 4.5Å; L94-L147 HydrophobicContact CB-CD1 4Å; L94-L147 HydrophobicContact CB-CD2 4.1Å; L94-L147 HydrophobicContact CB-CG 4.47Å; L94-L147 HydrophobicContact CD1-CD1 3.59Å; L94-L147 HydrophobicContact CG-CD1 4.4Å; L94-Q151 HydrophobicContact CD1-CG 3.89Å
95	S	36.5	Very low	40	Very low	59 Å²	59	92.7 Å²	92.7	41%	0.413	49%	0.494	S	S	.	.			trans	-68.6	115.9	174.7	174.7	0	0	0	0	108.9	K97 R98 E99	S95-K97 PolarHBondContact O-N 2.93Å; S95-K97 VanDerWaalsContact O-N 3.12Å; S95-R98 PolarHBondContact O-N 2.86Å; S95-R98 VanDerWaalsContact O-N 3.11Å; S95-E99 PolarHBondContact O-N 3.48Å
96	P	40.5	Very low	41.1	Very low	49 Å²	49	91.9 Å²	91.9	32%	0.318	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22	-177.7	-16.9	28.5	0	0	0	113.9	L94 F144 L147	L94-P96 WeakPolarHBondContact O-CD 3.34Å; P96-F144 HydrophobicContact CB-CD2 3.16Å; P96-F144 HydrophobicContact CB-CE2 3.54Å; P96-F144 HydrophobicContact CB-CG 4.2Å; P96-F144 HydrophobicContact CG-CD2 3.66Å; P96-F144 HydrophobicContact CG-CE2 3.42Å; P96-F144 VanDerWaalsContact CG-CE2 3.42Å; P96-L147 HydrophobicContact CB-CD2 4.15Å
97	K	41.6	Very low	42.4	Very low	196 Å²	196	86.1 Å²	86.1	85%	0.852	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-28.9	177.5	-70.4	-174.2	177	-178.4	0	113.2	S95	S95-K97 PolarHBondContact O-N 2.93Å; S95-K97 VanDerWaalsContact O-N 3.12Å
98	R	41.4	Very low	43.8	Very low	204 Å²	204	86.1 Å²	86.1	77%	0.77	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-32.8	-177.8	-75.8	-169.6	175.6	-169.8	-0.6	113.2	S95 A100	S95-R98 PolarHBondContact O-N 2.86Å; S95-R98 VanDerWaalsContact O-N 3.11Å; R98-A100 VanDerWaalsContact C-N 3.32Å
99	E	46	Very low	44.8	Very low	32 Å²	32	87.4 Å²	87.4	15%	0.15	46%	0.458	C	S	.	.	S	Bend	trans	-93.8	6	-173.2	-59.7	-56.2	141.8	0	0	113	S95 G101 R102 L147	S95-E99 PolarHBondContact O-N 3.48Å; E99-G101 PolarHBondContact O-N 2.93Å; E99-R102 PolarHBondContact O-N 3.25Å; E99-R102 IonicContact OE1-NH1 3.29Å; E99-R102 PolarHBondContact OE1-NH1 3.09Å; E99-R102 VanDerWaalsContact OE2-CB 3.28Å; E99-R102 WeakPolarHBondContact OE2-CB 3.43Å; E99-R102 WeakPolarHBondContact OE2-CD 3.28Å; E99-R102 IonicContact OE2-NH1 3.76Å; E99-L147 HydrophobicContact CB-CD1 4.15Å; E99-L147 HydrophobicContact CB-CD2 4.11Å; E99-L147 HydrophobicContact CG-CD1 4.49Å
100	A	44.9	Very low	46	Very low	54 Å²	54	82.7 Å²	82.7	45%	0.446	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	71.5	-176.5	0	0	0	0	0	112.6	R98 P143	R98-A100 VanDerWaalsContact C-N 3.32Å; A100-P143 HydrophobicContact CB-CB 3.46Å; A100-P143 VanDerWaalsContact CB-CB 3.46Å; A100-P143 HydrophobicContact CB-CG 3.89Å
101	G	51.7	Low	47.2	Very low	66 Å²	66	78.3 Å²	78.3	68%	0.68	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	140.9	-14.8	-172.9	0	0	0	0	0	113.1	E99 Y103	E99-G101 PolarHBondContact O-N 2.93Å; G101-Y103 VanDerWaalsContact C-N 3.3Å; G101-Y103 PolarHBondContact O-N 2.99Å
102	R	52.7	Low	48.5	Very low	123 Å²	123	74.6 Å²	74.6	46%	0.464	38%	0.383	S	S	.	.			trans	-95.9	23.8	179.2	-59.9	-174.2	78.5	-151.5	6.8	112.4	E99 H104 Q105 L106	E99-R102 PolarHBondContact O-N 3.25Å; E99-R102 IonicContact OE1-NH1 3.29Å; E99-R102 PolarHBondContact OE1-NH1 3.09Å; E99-R102 VanDerWaalsContact OE2-CB 3.28Å; E99-R102 WeakPolarHBondContact OE2-CB 3.43Å; E99-R102 WeakPolarHBondContact OE2-CD 3.28Å; E99-R102 IonicContact OE2-NH1 3.76Å; R102-H104 VanDerWaalsContact C-N 3.27Å; R102-H104 PolarHBondContact O-N 3.46Å; R102-Q105 HydrophobicContact CB-CB 4.14Å; R102-Q105 CarbonylContact O-C 3.58Å; R102-Q105 WeakPolarHBondContact O-CA 3.47Å; R102-Q105 WeakPolarHBondContact O-CB 3.41Å; R102-Q105 PolarHBondContact O-N 3.27Å; R102-L106 PolarHBondContact O-N 2.64Å
103	Y	51.9	Low	49.2	Very low	17 Å²	17	75.2 Å²	75.2	7%	0.067	39%	0.385	C	S	.	.	H	α-helix	trans	-55.4	-42.1	-175.8	-178	-105.7	0	0	0	113.1	G101 Q105 L106 I107 M130 A134 R146 A150	G101-Y103 VanDerWaalsContact C-N 3.3Å; G101-Y103 PolarHBondContact O-N 2.99Å; Y103-Q105 VanDerWaalsContact C-N 3.35Å; Y103-L106 WeakPolarHBondContact O-CB 3.33Å; Y103-L106 PolarHBondContact O-N 3.48Å; Y103-I107 HydrophobicContact CD1-CD1 3.72Å; Y103-I107 HydrophobicContact CD1-CG1 4.45Å; Y103-I107 HydrophobicContact CE1-CD1 3.16Å; Y103-I107 HydrophobicContact CE1-CG1 4Å; Y103-I107 WeakPolarHBondContact O-CG1 3.35Å; Y103-I107 PolarHBondContact O-N 3.08Å; Y103-M130 VanDerWaalsContact OH-C 3.29Å; Y103-M130 PolarHBondContact OH-O 3.45Å; Y103-A134 HydrophobicContact CD1-CB 4.06Å; Y103-A134 HydrophobicContact CE1-CB 3.21Å; Y103-A134 HydrophobicContact CE2-CB 4.45Å; Y103-A134 VanDerWaalsContact CZ-CB 3.47Å; Y103-A134 WeakPolarHBondContact OH-CB 3.28Å; Y103-R146 HydrophobicContact CD2-CB 3.52Å; Y103-R146 HydrophobicContact CE2-CB 3.72Å; Y103-R146 VanDerWaalsContact CE2-O 3.28Å; Y103-R146 WeakPolarHBondContact CE2-O 3.22Å; Y103-R146 HydrophobicContact CG-CB 4.14Å; Y103-A150 HydrophobicContact CE2-CB 3.86Å
104	H	56.9	Low	50	Low	120 Å²	120	68 Å²	68	56%	0.556	35%	0.346	S	S	*	.	H	α-helix	trans	-65.1	-40.3	175.7	-72	57.1	0	0	0	111.4	R102 L106 I107 H108	R102-H104 VanDerWaalsContact C-N 3.27Å; R102-H104 PolarHBondContact O-N 3.46Å; H104-L106 VanDerWaalsContact C-N 3.32Å; H104-L106 PolarHBondContact O-N 3.29Å; H104-I107 PolarHBondContact O-N 3.08Å; H104-H108 PolarHBondContact O-CD2 2.74Å; H104-H108 PolarHBondContact O-N 3.44Å
105	Q	58.8	Low	50.8	Low	80 Å²	80	70.4 Å²	70.4	37%	0.374	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-41.4	175.1	-171	63.8	51.5	0	0	111.2	R102 Y103 I107 H108 D109	R102-Q105 HydrophobicContact CB-CB 4.14Å; R102-Q105 CarbonylContact O-C 3.58Å; R102-Q105 WeakPolarHBondContact O-CA 3.47Å; R102-Q105 WeakPolarHBondContact O-CB 3.41Å; R102-Q105 PolarHBondContact O-N 3.27Å; Y103-Q105 VanDerWaalsContact C-N 3.35Å; Q105-I107 PolarHBondContact O-N 3.41Å; Q105-H108 CarbonylContact O-C 3.58Å; Q105-H108 PolarHBondContact O-N 3.44Å; Q105-D109 PolarHBondContact NE2-OD1 3.25Å; Q105-D109 WeakPolarHBondContact O-CB 3.22Å; Q105-D109 PolarHBondContact O-N 3.33Å
106	L	57.7	Low	51.5	Low	16 Å²	16	72.3 Å²	72.3	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-62.5	-43.4	176.4	179.5	70.7	0	0	0	111.8	L94 R102 Y103 H104 H108 D109 V110 L147 A150	L94-L106 HydrophobicContact CD1-CD1 3.57Å; L94-L106 HydrophobicContact CD1-CD2 4.5Å; R102-L106 PolarHBondContact O-N 2.64Å; Y103-L106 WeakPolarHBondContact O-CB 3.33Å; Y103-L106 PolarHBondContact O-N 3.48Å; H104-L106 VanDerWaalsContact C-N 3.32Å; H104-L106 PolarHBondContact O-N 3.29Å; L106-H108 VanDerWaalsContact C-N 3.33Å; L106-D109 PolarHBondContact O-N 3.15Å; L106-V110 HydrophobicContact CD1-CG2 4.48Å; L106-V110 WeakPolarHBondContact O-CB 3.35Å; L106-V110 WeakPolarHBondContact O-CG2 3.34Å; L106-V110 PolarHBondContact O-N 3.15Å; L106-L147 HydrophobicContact CD1-CD1 4.48Å; L106-L147 HydrophobicContact CD2-CD1 3.36Å; L106-A150 HydrophobicContact CD2-CB 3.43Å; L106-A150 VanDerWaalsContact CD2-CB 3.43Å; L106-A150 HydrophobicContact CG-CB 4.32Å
107	I	57.3	Low	51.6	Low	3 Å²	3	76.4 Å²	76.4	2%	0.015	38%	0.381	C	S	.	.	H	α-helix	trans	-56.8	-51	172.7	-66.8	169.5	0	0	0	109.4	Y103 H104 Q105 D109 V110 I111 E127 M130 E131	Y103-I107 HydrophobicContact CD1-CD1 3.72Å; Y103-I107 HydrophobicContact CD1-CG1 4.45Å; Y103-I107 HydrophobicContact CE1-CD1 3.16Å; Y103-I107 HydrophobicContact CE1-CG1 4Å; Y103-I107 WeakPolarHBondContact O-CG1 3.35Å; Y103-I107 PolarHBondContact O-N 3.08Å; H104-I107 PolarHBondContact O-N 3.08Å; Q105-I107 PolarHBondContact O-N 3.41Å; I107-D109 PolarHBondContact O-N 2.6Å; I107-V110 WeakPolarHBondContact O-CB 3.24Å; I107-V110 PolarHBondContact O-N 2.79Å; I107-I111 HydrophobicContact CG2-CG1 4.11Å; I107-I111 WeakPolarHBondContact O-CB 3.4Å; I107-I111 VanDerWaalsContact O-CG1 3.22Å; I107-I111 WeakPolarHBondContact O-CG1 3.42Å; I107-I111 PolarHBondContact O-N 3.1Å; I107-E127 HydrophobicContact CG2-CB 4.45Å; I107-E127 HydrophobicContact CG2-CG 3.99Å; I107-M130 HydrophobicContact CB-CE 4.28Å; I107-M130 HydrophobicContact CB-SD 4.3Å; I107-M130 HydrophobicContact CD1-CB 3.7Å; I107-M130 HydrophobicContact CG1-CB 3.61Å; I107-M130 HydrophobicContact CG1-CE 3.64Å; I107-M130 HydrophobicContact CG1-CG 4.38Å; I107-M130 HydrophobicContact CG1-SD 3.98Å; I107-M130 HydrophobicContact CG2-CB 4.26Å; I107-M130 HydrophobicContact CG2-SD 4.06Å; I107-E131 HydrophobicContact CD1-CG 4.14Å
108	H	58.8	Low	51.8	Low	80 Å²	80	68.5 Å²	68.5	37%	0.37	35%	0.346	S	S	.	.	H	α-helix	trans	-61.4	-42.2	179.5	-75.5	-55.1	0	0	0	113.1	H104 Q105 L106 V110 I111 N112 E127	H104-H108 PolarHBondContact O-CD2 2.74Å; H104-H108 PolarHBondContact O-N 3.44Å; Q105-H108 CarbonylContact O-C 3.58Å; Q105-H108 PolarHBondContact O-N 3.44Å; L106-H108 VanDerWaalsContact C-N 3.33Å; H108-V110 VanDerWaalsContact C-N 3.3Å; H108-V110 PolarHBondContact O-N 3.05Å; H108-I111 PolarHBondContact O-N 3.02Å; H108-N112 VanDerWaalsContact O-CB 3.28Å; H108-N112 WeakPolarHBondContact O-CB 3.47Å; H108-N112 PolarHBondContact O-N 3.45Å; H108-N112 PolarHBondContact O-ND2 3.33Å; H108-E127 IonicContact CE1-OE1 3.46Å; H108-E127 PolarHBondContact CE1-OE1 2.82Å; H108-E127 VanDerWaalsContact CE1-OE1 3.26Å; H108-E127 IonicContact ND1-OE1 3.81Å
109	D	54.2	Low	52.2	Low	74 Å²	74	64.1 Å²	64.1	40%	0.396	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-40.3	178.1	-68.1	-13.4	0	0	0	110.8	Q105 L106 I107 M113	Q105-D109 PolarHBondContact NE2-OD1 3.25Å; Q105-D109 WeakPolarHBondContact O-CB 3.22Å; Q105-D109 PolarHBondContact O-N 3.33Å; L106-D109 PolarHBondContact O-N 3.15Å; I107-D109 PolarHBondContact O-N 2.6Å; D109-M113 VanDerWaalsContact O-CB 3.24Å; D109-M113 WeakPolarHBondContact O-CB 3.2Å; D109-M113 PolarHBondContact O-N 2.76Å
110	V	53.2	Low	52.9	Low	8 Å²	8	70.8 Å²	70.8	5%	0.048	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-50.2	173.4	163.5	0	0	0	0	110.9	L106 I107 H108 N112 M113 L114 L126 M130 V154	L106-V110 HydrophobicContact CD1-CG2 4.48Å; L106-V110 WeakPolarHBondContact O-CB 3.35Å; L106-V110 WeakPolarHBondContact O-CG2 3.34Å; L106-V110 PolarHBondContact O-N 3.15Å; I107-V110 WeakPolarHBondContact O-CB 3.24Å; I107-V110 PolarHBondContact O-N 2.79Å; H108-V110 VanDerWaalsContact C-N 3.3Å; H108-V110 PolarHBondContact O-N 3.05Å; V110-N112 VanDerWaalsContact C-N 3.35Å; V110-N112 PolarHBondContact O-N 3.41Å; V110-M113 PolarHBondContact O-N 3.3Å; V110-L114 HydrophobicContact CG1-CD1 3.92Å; V110-L114 WeakPolarHBondContact O-CB 3.44Å; V110-L114 VanDerWaalsContact O-CG 3.22Å; V110-L114 WeakPolarHBondContact O-CG 3.34Å; V110-L114 PolarHBondContact O-N 3.09Å; V110-L126 HydrophobicContact CG1-CD2 4.39Å; V110-M130 HydrophobicContact CB-CE 4.45Å; V110-M130 HydrophobicContact CB-SD 4.42Å; V110-M130 HydrophobicContact CG1-CE 4.46Å; V110-M130 HydrophobicContact CG1-SD 4Å; V110-M130 HydrophobicContact CG2-CE 4.35Å; V110-V154 HydrophobicContact CB-CG2 3.97Å; V110-V154 HydrophobicContact CG1-CG2 3.48Å; V110-V154 VanDerWaalsContact CG1-CG2 3.48Å; V110-V154 HydrophobicContact CG2-CB 4.46Å; V110-V154 HydrophobicContact CG2-CG1 4.42Å; V110-V154 HydrophobicContact CG2-CG2 3.23Å
111	I	56.5	Low	53.2	Low	14 Å²	14	76.9 Å²	76.9	7%	0.072	38%	0.375	C	S	.	.	H	α-helix	trans	-61	-45.1	-179.9	-68.6	-67.5	0	0	0	110.6	I107 H108 M113 L114 L115 L123 L126 E127	I107-I111 HydrophobicContact CG2-CG1 4.11Å; I107-I111 WeakPolarHBondContact O-CB 3.4Å; I107-I111 VanDerWaalsContact O-CG1 3.22Å; I107-I111 WeakPolarHBondContact O-CG1 3.42Å; I107-I111 PolarHBondContact O-N 3.1Å; H108-I111 PolarHBondContact O-N 3.02Å; I111-M113 PolarHBondContact O-N 3.45Å; I111-L114 CarbonylContact O-C 3.38Å; I111-L114 PolarHBondContact O-N 3.42Å; I111-L114 VanDerWaalsContact O-N 3.14Å; I111-L115 PolarHBondContact O-N 2.91Å; I111-L123 HydrophobicContact CD1-CB 4.25Å; I111-L123 HydrophobicContact CD1-CD2 4.18Å; I111-L123 VanDerWaalsContact CD1-O 3.27Å; I111-L123 WeakPolarHBondContact CD1-O 3.34Å; I111-L123 HydrophobicContact CG2-CB 4.29Å; I111-L123 HydrophobicContact CG2-CD2 4.49Å; I111-L126 HydrophobicContact CD1-CB 3.92Å; I111-L126 HydrophobicContact CD1-CD2 3.87Å; I111-L126 HydrophobicContact CD1-CG 3.8Å; I111-E127 HydrophobicContact CD1-CB 3.95Å; I111-E127 HydrophobicContact CG1-CB 4.15Å
112	N	54.1	Low	53	Low	97 Å²	97	76.4 Å²	76.4	52%	0.519	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-42	177.6	-74.7	-27.2	0	0	0	112.2	H108 V110 L114 L115	H108-N112 VanDerWaalsContact O-CB 3.28Å; H108-N112 WeakPolarHBondContact O-CB 3.47Å; H108-N112 PolarHBondContact O-N 3.45Å; H108-N112 PolarHBondContact O-ND2 3.33Å; V110-N112 VanDerWaalsContact C-N 3.35Å; V110-N112 PolarHBondContact O-N 3.41Å; N112-L114 PolarHBondContact O-N 2.97Å; N112-L115 WeakPolarHBondContact O-CB 3.5Å; N112-L115 PolarHBondContact O-N 2.81Å
113	M	49.4	Very low	53	Low	77 Å²	77	70.8 Å²	70.8	38%	0.379	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-31.6	175.3	178	-173.1	59.8	0	0	112.1	D109 V110 I111 V154 K158	D109-M113 VanDerWaalsContact O-CB 3.24Å; D109-M113 WeakPolarHBondContact O-CB 3.2Å; D109-M113 PolarHBondContact O-N 2.76Å; V110-M113 PolarHBondContact O-N 3.3Å; I111-M113 PolarHBondContact O-N 3.45Å; M113-V154 HydrophobicContact CE-CG1 4.16Å; M113-K158 VanDerWaalsContact SD-CE 3.56Å; M113-K158 PolarHBondContact SD-NZ 3.42Å
114	L	48	Very low	53.3	Low	5 Å²	5	72.8 Å²	72.8	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-89.2	-14.5	-179.9	-65.3	-179.9	0	0	0	113.4	V110 I111 N112 P116 Y117 Y118 L123 L126 L157	V110-L114 HydrophobicContact CG1-CD1 3.92Å; V110-L114 WeakPolarHBondContact O-CB 3.44Å; V110-L114 VanDerWaalsContact O-CG 3.22Å; V110-L114 WeakPolarHBondContact O-CG 3.34Å; V110-L114 PolarHBondContact O-N 3.09Å; I111-L114 CarbonylContact O-C 3.38Å; I111-L114 PolarHBondContact O-N 3.42Å; I111-L114 VanDerWaalsContact O-N 3.14Å; N112-L114 PolarHBondContact O-N 2.97Å; L114-P116 VanDerWaalsContact C-N 3.34Å; L114-Y117 PolarHBondContact O-N 3.34Å; L114-Y118 HydrophobicContact CB-CD2 3.9Å; L114-Y118 HydrophobicContact CB-CE2 4.35Å; L114-Y118 HydrophobicContact CD1-CE2 4.41Å; L114-Y118 HydrophobicContact CD2-CD2 4.32Å; L114-Y118 HydrophobicContact CD2-CE2 3.95Å; L114-Y118 HydrophobicContact CG-CD2 4.48Å; L114-Y118 HydrophobicContact CG-CE2 4.45Å; L114-Y118 PolarHBondContact O-N 3.05Å; L114-L123 HydrophobicContact CB-CD2 3.63Å; L114-L126 HydrophobicContact CD1-CD2 3.39Å; L114-L157 HydrophobicContact CD1-CD1 4.05Å
115	L	54.9	Low	53.1	Low	104 Å²	104	68.2 Å²	68.2	55%	0.545	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-42.1	-179.1	-165	82	0	0	0	114.6	I111 N112 Y117 L123	I111-L115 PolarHBondContact O-N 2.91Å; N112-L115 WeakPolarHBondContact O-CB 3.5Å; N112-L115 PolarHBondContact O-N 2.81Å; L115-Y117 PolarHBondContact O-N 3.24Å; L115-Y117 VanDerWaalsContact O-N 3.13Å; L115-L123 HydrophobicContact CB-CD1 4.3Å; L115-L123 HydrophobicContact CD1-CD1 3.63Å; L115-L123 HydrophobicContact CG-CD1 4.39Å
116	P	50	Low	53	Low	100 Å²	100	65 Å²	65	65%	0.649	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.9	179.9	-21.1	34.7	0	0	0	114.4	L114	L114-P116 VanDerWaalsContact C-N 3.34Å
117	Y	44.2	Very low	53.2	Low	135 Å²	135	66.5 Å²	66.5	53%	0.529	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-16.2	-163.3	-54.6	-71.1	0	0	0	115.1	L114 L115 F161	L114-Y117 PolarHBondContact O-N 3.34Å; L115-Y117 PolarHBondContact O-N 3.24Å; L115-Y117 VanDerWaalsContact O-N 3.13Å; Y117-F161 HydrophobicContact CD1-CE1 4.27Å; Y117-F161 HydrophobicContact CD1-CE2 4.31Å; Y117-F161 AromaticContact CD1-CZ 3.44Å; Y117-F161 HydrophobicContact CD1-CZ 3.44Å; Y117-F161 VanDerWaalsContact CD1-CZ 3.44Å; Y117-F161 HydrophobicContact CD2-CE2 4.27Å; Y117-F161 HydrophobicContact CD2-CZ 4.04Å; Y117-F161 HydrophobicContact CE1-CZ 4.14Å; Y117-F161 HydrophobicContact CG-CE1 4.47Å; Y117-F161 AromaticContact CG-CE2 3.76Å; Y117-F161 HydrophobicContact CG-CE2 3.76Å; Y117-F161 AromaticContact CG-CZ 3.35Å; Y117-F161 HydrophobicContact CG-CZ 3.35Å
118	Y	44.7	Very low	53.3	Low	30 Å²	30	72.3 Å²	72.3	12%	0.118	34%	0.344	C	S	.	.	S	Bend	trans	-122.5	149.6	-177	-76.6	-87.1	0	0	0	110.1	L114 E122 L123 F161	L114-Y118 HydrophobicContact CB-CD2 3.9Å; L114-Y118 HydrophobicContact CB-CE2 4.35Å; L114-Y118 HydrophobicContact CD1-CE2 4.41Å; L114-Y118 HydrophobicContact CD2-CD2 4.32Å; L114-Y118 HydrophobicContact CD2-CE2 3.95Å; L114-Y118 HydrophobicContact CG-CD2 4.48Å; L114-Y118 HydrophobicContact CG-CE2 4.45Å; L114-Y118 PolarHBondContact O-N 3.05Å; Y118-E122 HydrophobicContact CD1-CB 4.11Å; Y118-E122 WeakPolarHBondContact CD1-OE2 3.48Å; Y118-L123 HydrophobicContact CG-CD2 4.39Å; Y118-F161 HydrophobicContact CD2-CE2 4.21Å; Y118-F161 AromaticContact CE2-CD2 3.59Å; Y118-F161 HydrophobicContact CE2-CD2 3.59Å; Y118-F161 AromaticContact CE2-CE2 3.54Å; Y118-F161 HydrophobicContact CE2-CE2 3.54Å; Y118-F161 AromaticContact CZ-CD2 3.84Å
119	M	49.8	Very low	53.1	Low	111 Å²	111	69.1 Å²	69.1	55%	0.547	33%	0.329	S	S	.	.			trans	-66.4	146.3	172.3	-64.9	-163.6	-179	0	0	109.7	R121 E122 L123 E172	M119-R121 PolarHBondContact O-N 3.26Å; M119-E122 HydrophobicContact CB-CG 4.36Å; M119-E122 PolarHBondContact N-OE2 3.32Å; M119-E122 WeakPolarHBondContact O-CB 3.25Å; M119-E122 PolarHBondContact O-N 3.32Å; M119-L123 PolarHBondContact O-N 2.87Å; M119-E172 WeakPolarHBondContact CE-OE1 3.44Å
120	K	61.9	Low	53.1	Low	172 Å²	172	65.6 Å²	65.6	75%	0.748	31%	0.31	S	S	*	.	H	α-helix	trans	-47.7	-37.4	178.3	-172.6	177.3	-178.7	178.6	0	112.9	L123 V124	K120-L123 PolarHBondContact O-N 3.41Å; K120-V124 VanDerWaalsContact O-CG2 3.29Å; K120-V124 WeakPolarHBondContact O-CG2 3.48Å; K120-V124 PolarHBondContact O-N 3.18Å
121	R	50.3	Low	53.4	Low	183 Å²	183	69.4 Å²	69.4	69%	0.691	33%	0.327	S	S	*	.	H	α-helix	trans	-64.5	-38.8	177.5	-174.9	179.2	176.1	-173.6	-0.6	113.3	M119 F125	M119-R121 PolarHBondContact O-N 3.26Å; R121-F125 PolarHBondContact O-N 3.08Å
122	E	47.8	Very low	53.2	Low	55 Å²	55	72.1 Å²	72.1	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-70.9	-35.8	178.9	-61.5	176.3	123.1	0	0	111	Y118 M119 F125 L126	Y118-E122 HydrophobicContact CD1-CB 4.11Å; Y118-E122 WeakPolarHBondContact CD1-OE2 3.48Å; M119-E122 HydrophobicContact CB-CG 4.36Å; M119-E122 PolarHBondContact N-OE2 3.32Å; M119-E122 WeakPolarHBondContact O-CB 3.25Å; M119-E122 PolarHBondContact O-N 3.32Å; E122-F125 WeakPolarHBondContact O-CB 3.28Å; E122-F125 PolarHBondContact O-N 3.43Å; E122-L126 WeakPolarHBondContact O-CB 3.24Å; E122-L126 PolarHBondContact O-N 3.32Å
123	L	52.2	Low	53	Low	5 Å²	5	67.7 Å²	67.7	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-68.8	-43.3	174.5	-64.9	169.4	0	0	0	112	I111 L114 L115 Y118 M119 K120 F125 L126 E127	I111-L123 HydrophobicContact CD1-CB 4.25Å; I111-L123 HydrophobicContact CD1-CD2 4.18Å; I111-L123 VanDerWaalsContact CD1-O 3.27Å; I111-L123 WeakPolarHBondContact CD1-O 3.34Å; I111-L123 HydrophobicContact CG2-CB 4.29Å; I111-L123 HydrophobicContact CG2-CD2 4.49Å; L114-L123 HydrophobicContact CB-CD2 3.63Å; L115-L123 HydrophobicContact CB-CD1 4.3Å; L115-L123 HydrophobicContact CD1-CD1 3.63Å; L115-L123 HydrophobicContact CG-CD1 4.39Å; Y118-L123 HydrophobicContact CG-CD2 4.39Å; M119-L123 PolarHBondContact O-N 2.87Å; K120-L123 PolarHBondContact O-N 3.41Å; L123-F125 PolarHBondContact O-N 2.95Å; L123-L126 WeakPolarHBondContact O-CB 3.27Å; L123-L126 PolarHBondContact O-N 3.49Å; L123-L126 VanDerWaalsContact O-N 3.12Å; L123-E127 WeakPolarHBondContact O-CB 3.31Å; L123-E127 PolarHBondContact O-N 3.01Å
124	V	59.5	Low	52.9	Low	59 Å²	59	64.1 Å²	64.1	36%	0.358	30%	0.304	S	S	.	.	H	α-helix	trans	-60.1	-37.7	172.8	170.1	0	0	0	0	111.2	K120 K128	K120-V124 VanDerWaalsContact O-CG2 3.29Å; K120-V124 WeakPolarHBondContact O-CG2 3.48Å; K120-V124 PolarHBondContact O-N 3.18Å; V124-K128 WeakPolarHBondContact O-CB 3.26Å; V124-K128 WeakPolarHBondContact O-CG 3.42Å; V124-K128 PolarHBondContact O-N 2.95Å; V124-K128 VanDerWaalsContact O-N 3.15Å
125	F	52.6	Low	52.8	Low	25 Å²	25	64.6 Å²	64.6	11%	0.11	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-44.8	173.8	173.6	-95.9	0	0	0	111.7	L45 C51 P52 R121 E122 L123 K128 F129	L45-F125 HydrophobicContact CD1-CE2 4Å; L45-F125 HydrophobicContact CD1-CZ 4.39Å; L45-F125 HydrophobicContact CD2-CE1 3.99Å; L45-F125 HydrophobicContact CD2-CE2 3.71Å; L45-F125 HydrophobicContact CD2-CZ 3.36Å; L45-F125 HydrophobicContact CG-CE2 3.75Å; L45-F125 HydrophobicContact CG-CZ 3.63Å; C51-F125 VanDerWaalsContact CA-CE2 3.42Å; C51-F125 HydrophobicContact CB-CE2 3.88Å; C51-F125 HydrophobicContact CB-CZ 3.75Å; P52-F125 HydrophobicContact CG-CB 4.46Å; P52-F125 HydrophobicContact CG-CG 4.41Å; R121-F125 PolarHBondContact O-N 3.08Å; E122-F125 WeakPolarHBondContact O-CB 3.28Å; E122-F125 PolarHBondContact O-N 3.43Å; L123-F125 PolarHBondContact O-N 2.95Å; F125-K128 PolarHBondContact O-N 3.23Å; F125-F129 VanDerWaalsContact O-CB 3.29Å; F125-F129 WeakPolarHBondContact O-CB 3.46Å; F125-F129 PolarHBondContact O-N 3.28Å
126	L	56.5	Low	52.6	Low	11 Å²	11	63.7 Å²	63.7	6%	0.058	31%	0.31	C	S	.	.	H	α-helix	trans	-64.5	-40.5	178	176.5	54.8	0	0	0	112.9	V110 I111 L114 E122 L123 F129 M130 I153 L157	V110-L126 HydrophobicContact CG1-CD2 4.39Å; I111-L126 HydrophobicContact CD1-CB 3.92Å; I111-L126 HydrophobicContact CD1-CD2 3.87Å; I111-L126 HydrophobicContact CD1-CG 3.8Å; L114-L126 HydrophobicContact CD1-CD2 3.39Å; E122-L126 WeakPolarHBondContact O-CB 3.24Å; E122-L126 PolarHBondContact O-N 3.32Å; L123-L126 WeakPolarHBondContact O-CB 3.27Å; L123-L126 PolarHBondContact O-N 3.49Å; L123-L126 VanDerWaalsContact O-N 3.12Å; L126-F129 HydrophobicContact CD1-CD1 3.83Å; L126-F129 VanDerWaalsContact O-CB 3.32Å; L126-F129 WeakPolarHBondContact O-CB 3.3Å; L126-F129 PolarHBondContact O-N 3.49Å; L126-M130 HydrophobicContact CD1-CG 4.08Å; L126-M130 HydrophobicContact CD1-SD 4.26Å; L126-M130 HydrophobicContact CG-SD 4.4Å; L126-M130 WeakPolarHBondContact O-CG 3.35Å; L126-M130 PolarHBondContact O-N 2.88Å; L126-I153 HydrophobicContact CD1-CG2 3.6Å; L126-L157 HydrophobicContact CD1-CD1 3.35Å; L126-L157 HydrophobicContact CD2-CD1 3.22Å; L126-L157 HydrophobicContact CG-CD1 3.89Å
127	E	60.6	Low	52.4	Low	48 Å²	48	68.5 Å²	68.5	22%	0.224	32%	0.324	C	S	.	.	H	α-helix	trans	-60.2	-53.7	176.3	-176.3	171.3	-141.5	0	0	109.8	I107 H108 I111 L123 F129 M130 E131	I107-E127 HydrophobicContact CG2-CB 4.45Å; I107-E127 HydrophobicContact CG2-CG 3.99Å; H108-E127 IonicContact CE1-OE1 3.46Å; H108-E127 PolarHBondContact CE1-OE1 2.82Å; H108-E127 VanDerWaalsContact CE1-OE1 3.26Å; H108-E127 IonicContact ND1-OE1 3.81Å; I111-E127 HydrophobicContact CD1-CB 3.95Å; I111-E127 HydrophobicContact CG1-CB 4.15Å; L123-E127 WeakPolarHBondContact O-CB 3.31Å; L123-E127 PolarHBondContact O-N 3.01Å; E127-F129 PolarHBondContact O-N 3.28Å; E127-M130 PolarHBondContact O-N 3.41Å; E127-M130 VanDerWaalsContact O-N 3.16Å; E127-E131 WeakPolarHBondContact O-CG 3.47Å; E127-E131 PolarHBondContact O-N 2.87Å
128	K	60.1	Low	52.2	Low	126 Å²	126	66.9 Å²	66.9	55%	0.548	33%	0.333	S	S	.	.	H	α-helix	trans	-57.8	-36.5	174.2	-73.9	-177.7	177.1	-173.7	0	112.9	V124 F125 T132	V124-K128 WeakPolarHBondContact O-CB 3.26Å; V124-K128 WeakPolarHBondContact O-CG 3.42Å; V124-K128 PolarHBondContact O-N 2.95Å; V124-K128 VanDerWaalsContact O-N 3.15Å; F125-K128 PolarHBondContact O-N 3.23Å; K128-T132 VanDerWaalsContact O-CB 3.29Å; K128-T132 WeakPolarHBondContact O-CB 3.29Å; K128-T132 PolarHBondContact O-N 3Å; K128-T132 PolarHBondContact O-OG1 2.93Å
129	F	54.1	Low	52.1	Low	13 Å²	13	67 Å²	67	6%	0.057	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-50.3	176.6	171.9	-135.2	0	0	0	111.8	L42 L45 F46 F125 L126 E127 T132 A133 I153	L42-F129 HydrophobicContact CD2-CE1 4.35Å; L42-F129 HydrophobicContact CD2-CE2 3.39Å; L42-F129 HydrophobicContact CD2-CZ 3.2Å; L45-F129 HydrophobicContact CB-CD2 4.24Å; L45-F129 HydrophobicContact CB-CE2 4.42Å; L45-F129 HydrophobicContact CD2-CB 3.3Å; L45-F129 HydrophobicContact CD2-CD2 3.05Å; L45-F129 HydrophobicContact CD2-CE2 3.83Å; L45-F129 HydrophobicContact CD2-CG 3.43Å; L45-F129 VanDerWaalsContact CD2-CG 3.43Å; L45-F129 HydrophobicContact CG-CD2 4.22Å; F46-F129 HydrophobicContact CE2-CZ 4.08Å; F46-F129 HydrophobicContact CZ-CZ 4.12Å; F125-F129 VanDerWaalsContact O-CB 3.29Å; F125-F129 WeakPolarHBondContact O-CB 3.46Å; F125-F129 PolarHBondContact O-N 3.28Å; L126-F129 HydrophobicContact CD1-CD1 3.83Å; L126-F129 VanDerWaalsContact O-CB 3.32Å; L126-F129 WeakPolarHBondContact O-CB 3.3Å; L126-F129 PolarHBondContact O-N 3.49Å; E127-F129 PolarHBondContact O-N 3.28Å; F129-T132 PolarHBondContact O-N 3.02Å; F129-A133 WeakPolarHBondContact O-CB 3.42Å; F129-A133 PolarHBondContact O-N 2.95Å; F129-I153 HydrophobicContact CD1-CB 4.49Å; F129-I153 HydrophobicContact CD1-CD1 3.85Å; F129-I153 HydrophobicContact CD1-CG1 4.15Å; F129-I153 HydrophobicContact CD1-CG2 3.61Å; F129-I153 HydrophobicContact CE1-CB 3.95Å; F129-I153 HydrophobicContact CE1-CD1 3.54Å; F129-I153 HydrophobicContact CE1-CG1 3.42Å; F129-I153 VanDerWaalsContact CE1-CG1 3.42Å; F129-I153 HydrophobicContact CE1-CG2 3.39Å; F129-I153 HydrophobicContact CE2-CD1 4.49Å; F129-I153 HydrophobicContact CG-CD1 4.47Å; F129-I153 HydrophobicContact CZ-CD1 3.95Å; F129-I153 HydrophobicContact CZ-CG1 3.88Å
130	M	55.3	Low	51.8	Low	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-46.9	178.5	-66.2	178.6	75.6	0	0	109.7	Y103 I107 V110 L126 E127 T132 A133 A134 A150 I153 V154	Y103-M130 VanDerWaalsContact OH-C 3.29Å; Y103-M130 PolarHBondContact OH-O 3.45Å; I107-M130 HydrophobicContact CB-CE 4.28Å; I107-M130 HydrophobicContact CB-SD 4.3Å; I107-M130 HydrophobicContact CD1-CB 3.7Å; I107-M130 HydrophobicContact CG1-CB 3.61Å; I107-M130 HydrophobicContact CG1-CE 3.64Å; I107-M130 HydrophobicContact CG1-CG 4.38Å; I107-M130 HydrophobicContact CG1-SD 3.98Å; I107-M130 HydrophobicContact CG2-CB 4.26Å; I107-M130 HydrophobicContact CG2-SD 4.06Å; V110-M130 HydrophobicContact CB-CE 4.45Å; V110-M130 HydrophobicContact CB-SD 4.42Å; V110-M130 HydrophobicContact CG1-CE 4.46Å; V110-M130 HydrophobicContact CG1-SD 4Å; V110-M130 HydrophobicContact CG2-CE 4.35Å; L126-M130 HydrophobicContact CD1-CG 4.08Å; L126-M130 HydrophobicContact CD1-SD 4.26Å; L126-M130 HydrophobicContact CG-SD 4.4Å; L126-M130 WeakPolarHBondContact O-CG 3.35Å; L126-M130 PolarHBondContact O-N 2.88Å; E127-M130 PolarHBondContact O-N 3.41Å; E127-M130 VanDerWaalsContact O-N 3.16Å; M130-T132 VanDerWaalsContact C-N 3.31Å; M130-T132 PolarHBondContact O-N 2.87Å; M130-A133 PolarHBondContact O-N 2.87Å; M130-A134 PolarHBondContact O-N 2.76Å; M130-A150 HydrophobicContact CE-CB 3.37Å; M130-I153 HydrophobicContact CG-CD1 4.1Å; M130-I153 HydrophobicContact CG-CG2 3.95Å; M130-I153 HydrophobicContact SD-CG2 4.48Å; M130-V154 HydrophobicContact CE-CG2 4.38Å
131	E	58.5	Low	51	Low	88 Å²	88	64.4 Å²	64.4	41%	0.411	32%	0.322	S	S	.	.	H	α-helix	trans	-53.1	-45.5	174.4	-70.6	175.8	163.8	0	0	113	I107 E127 A134	I107-E131 HydrophobicContact CD1-CG 4.14Å; E127-E131 WeakPolarHBondContact O-CG 3.47Å; E127-E131 PolarHBondContact O-N 2.87Å; E131-A134 WeakPolarHBondContact O-CB 3.42Å; E131-A134 PolarHBondContact O-N 2.8Å
132	T	53.2	Low	50.8	Low	71 Å²	71	59 Å²	59	44%	0.436	31%	0.31	S	S	.	.	H	α-helix	trans	-70.6	-40.9	179.2	-55.6	0	0	0	0	111.9	K128 F129 M130 A134 G135	K128-T132 VanDerWaalsContact O-CB 3.29Å; K128-T132 WeakPolarHBondContact O-CB 3.29Å; K128-T132 PolarHBondContact O-N 3Å; K128-T132 PolarHBondContact O-OG1 2.93Å; F129-T132 PolarHBondContact O-N 3.02Å; M130-T132 VanDerWaalsContact C-N 3.31Å; M130-T132 PolarHBondContact O-N 2.87Å; T132-A134 PolarHBondContact O-N 3.5Å; T132-G135 WeakPolarHBondContact O-CA 3.14Å; T132-G135 PolarHBondContact O-N 3.24Å
133	A	48.3	Very low	50.7	Low	3 Å²	3	58.9 Å²	58.9	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-63.3	-35.8	178.9	0	0	0	0	0	110.4	F129 M130 G135 M149 I153	F129-A133 WeakPolarHBondContact O-CB 3.42Å; F129-A133 PolarHBondContact O-N 2.95Å; M130-A133 PolarHBondContact O-N 2.87Å; A133-G135 PolarHBondContact O-N 2.92Å; A133-M149 HydrophobicContact CB-CE 4.32Å; A133-M149 HydrophobicContact CB-CG 4.13Å; A133-M149 HydrophobicContact CB-SD 3.34Å; A133-M149 WeakPolarHBondContact CB-SD 3.39Å; A133-M149 WeakPolarHBondContact O-CE 3.47Å; A133-I153 HydrophobicContact CB-CD1 3.81Å
134	A	48.6	Very low	50.2	Low	2 Å²	2	64.4 Å²	64.4	2%	0.017	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-5.2	170.8	0	0	0	0	0	114.5	Y103 M130 E131 T132 M141 R146	Y103-A134 HydrophobicContact CD1-CB 4.06Å; Y103-A134 HydrophobicContact CE1-CB 3.21Å; Y103-A134 HydrophobicContact CE2-CB 4.45Å; Y103-A134 VanDerWaalsContact CZ-CB 3.47Å; Y103-A134 WeakPolarHBondContact OH-CB 3.28Å; M130-A134 PolarHBondContact O-N 2.76Å; E131-A134 WeakPolarHBondContact O-CB 3.42Å; E131-A134 PolarHBondContact O-N 2.8Å; T132-A134 PolarHBondContact O-N 3.5Å; A134-M141 VanDerWaalsContact O-SD 3.41Å; A134-R146 VanDerWaalsContact O-CZ 3.31Å; A134-R146 PolarHBondContact O-NH1 3.19Å; A134-R146 PolarHBondContact O-NH2 3.4Å
135	G	46.6	Very low	49.5	Very low	16 Å²	16	65.8 Å²	65.8	17%	0.165	34%	0.34	C	S	.	.			trans	80.1	159.5	-178.7	0	0	0	0	0	112.2	T132 A133	T132-G135 WeakPolarHBondContact O-CA 3.14Å; T132-G135 PolarHBondContact O-N 3.24Å; A133-G135 PolarHBondContact O-N 2.92Å
136	P	49.3	Very low	49.3	Very low	84 Å²	84	67 Å²	67	55%	0.545	34%	0.344	S	S	.	.			trans	-55.2	155.4	166.4	19.8	-26.4	0	0	0	109.9	S138 V139	P136-S138 PolarHBondContact O-N 3.41Å; P136-V139 HydrophobicContact CG-CG2 3.79Å; P136-V139 PolarHBondContact O-N 3.11Å
137	Q	47	Very low	48.7	Very low	202 Å²	202	66.7 Å²	66.7	94%	0.944	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-22	179.7	-71.5	-178.3	-8.6	0	0	113.4	V139	Q137-V139 VanDerWaalsContact C-N 3.34Å
138	S	39.7	Very low	48.2	Very low	101 Å²	101	65.6 Å²	65.6	71%	0.706	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.6	174.5	58.4	0	0	0	0	115	P136	P136-S138 PolarHBondContact O-N 3.41Å
139	V	42.7	Very low	47.7	Very low	31 Å²	31	60.1 Å²	60.1	19%	0.188	32%	0.318	C	S	.	.	S	Bend	trans	-86.9	114.7	180	179.3	0	0	0	0	109.5	P136 Q137 M141 R146	P136-V139 HydrophobicContact CG-CG2 3.79Å; P136-V139 PolarHBondContact O-N 3.11Å; Q137-V139 VanDerWaalsContact C-N 3.34Å; V139-M141 HydrophobicContact CG1-CG 3.86Å; V139-M141 PolarHBondContact O-N 3.03Å; V139-R146 PolarHBondContact O-NH2 3.38Å
140	K	42.4	Very low	47.6	Very low	210 Å²	210	59.5 Å²	59.5	91%	0.913	32%	0.315	S	S	*	.			trans	-77.1	71.9	173.8	-66.3	-173.5	-179.7	-177.9	0	110.7
141	M	45.9	Very low	47.3	Very low	19 Å²	19	61.2 Å²	61.2	9%	0.094	32%	0.324	C	S	.	.			trans	-77.2	132.7	160.9	-67.7	-179.4	82.4	0	0	109.1	D38 A134 V139 E145 R146 M149	D38-M141 WeakPolarHBondContact OD1-CE 3.47Å; A134-M141 VanDerWaalsContact O-SD 3.41Å; V139-M141 HydrophobicContact CG1-CG 3.86Å; V139-M141 PolarHBondContact O-N 3.03Å; M141-E145 WeakPolarHBondContact CA-OE2 3.09Å; M141-E145 HydrophobicContact CB-CB 4.36Å; M141-E145 HydrophobicContact CE-CB 3.59Å; M141-R146 HydrophobicContact CB-CG 3.63Å; M141-R146 HydrophobicContact CE-CG 4.33Å; M141-R146 HydrophobicContact CG-CG 4.47Å; M141-R146 HydrophobicContact SD-CG 4.06Å; M141-M149 HydrophobicContact CE-CE 3.47Å; M141-M149 VanDerWaalsContact CE-CE 3.47Å; M141-M149 HydrophobicContact CE-SD 4.16Å; M141-M149 HydrophobicContact SD-CE 4.14Å
142	T	45.9	Very low	46.9	Very low	71 Å²	71	63.3 Å²	63.3	44%	0.436	33%	0.328	S	S	.	.			trans	-58.8	148.1	163.4	66.1	0	0	0	0	108.7	F144 E145 R146	T142-F144 PolarHBondContact O-N 2.88Å; T142-F144 VanDerWaalsContact O-N 3.09Å; T142-E145 WeakPolarHBondContact CB-OE2 3.45Å; T142-E145 PolarHBondContact N-OE2 3.27Å; T142-E145 PolarHBondContact O-N 3.23Å; T142-E145 VanDerWaalsContact OG1-CD 3.26Å; T142-E145 VanDerWaalsContact OG1-CG 3.26Å; T142-E145 WeakPolarHBondContact OG1-CG 3.08Å; T142-E145 PolarHBondContact OG1-N 2.65Å; T142-E145 PolarHBondContact OG1-OE2 2.71Å; T142-R146 PolarHBondContact O-N 2.93Å
143	P	46.4	Very low	47.1	Very low	52 Å²	52	60.3 Å²	60.3	34%	0.338	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-23.6	176.1	-25.8	35.1	0	0	0	113.9	A100 L147	A100-P143 HydrophobicContact CB-CB 3.46Å; A100-P143 VanDerWaalsContact CB-CB 3.46Å; A100-P143 HydrophobicContact CB-CG 3.89Å; P143-L147 VanDerWaalsContact O-CB 3.31Å; P143-L147 WeakPolarHBondContact O-CB 3.09Å; P143-L147 PolarHBondContact O-N 2.74Å
144	F	41.7	Very low	47.1	Very low	120 Å²	120	60.6 Å²	60.6	53%	0.526	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-48.6	171.6	-178.8	-78.1	0	0	0	111.8	P96 T142 R146 L147 A148	P96-F144 HydrophobicContact CB-CD2 3.16Å; P96-F144 HydrophobicContact CB-CE2 3.54Å; P96-F144 HydrophobicContact CB-CG 4.2Å; P96-F144 HydrophobicContact CG-CD2 3.66Å; P96-F144 HydrophobicContact CG-CE2 3.42Å; P96-F144 VanDerWaalsContact CG-CE2 3.42Å; T142-F144 PolarHBondContact O-N 2.88Å; T142-F144 VanDerWaalsContact O-N 3.09Å; F144-R146 VanDerWaalsContact C-N 3.31Å; F144-R146 PolarHBondContact O-N 2.62Å; F144-L147 PolarHBondContact O-N 3.36Å; F144-A148 HydrophobicContact CE1-CB 4.37Å; F144-A148 WeakPolarHBondContact O-CB 3.27Å; F144-A148 PolarHBondContact O-N 2.83Å
145	E	44.6	Very low	47.2	Very low	88 Å²	88	62.3 Å²	62.3	41%	0.411	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-40.2	-179.6	-68.5	158.9	142.8	0	0	110.5	M141 T142 A148 M149	M141-E145 WeakPolarHBondContact CA-OE2 3.09Å; M141-E145 HydrophobicContact CB-CB 4.36Å; M141-E145 HydrophobicContact CE-CB 3.59Å; T142-E145 WeakPolarHBondContact CB-OE2 3.45Å; T142-E145 PolarHBondContact N-OE2 3.27Å; T142-E145 PolarHBondContact O-N 3.23Å; T142-E145 VanDerWaalsContact OG1-CD 3.26Å; T142-E145 VanDerWaalsContact OG1-CG 3.26Å; T142-E145 WeakPolarHBondContact OG1-CG 3.08Å; T142-E145 PolarHBondContact OG1-N 2.65Å; T142-E145 PolarHBondContact OG1-OE2 2.71Å; E145-A148 PolarHBondContact O-N 3.46Å; E145-M149 VanDerWaalsContact O-CB 3.27Å; E145-M149 WeakPolarHBondContact O-CB 3.35Å; E145-M149 PolarHBondContact O-N 2.94Å
146	R	47.4	Very low	47.3	Very low	51 Å²	51	63.5 Å²	63.5	19%	0.192	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-46.7	174.7	-63	-177.8	-175.9	-105.6	-5.7	111.5	Y103 A134 V139 M141 T142 F144 M149 A150	Y103-R146 HydrophobicContact CD2-CB 3.52Å; Y103-R146 HydrophobicContact CE2-CB 3.72Å; Y103-R146 VanDerWaalsContact CE2-O 3.28Å; Y103-R146 WeakPolarHBondContact CE2-O 3.22Å; Y103-R146 HydrophobicContact CG-CB 4.14Å; A134-R146 VanDerWaalsContact O-CZ 3.31Å; A134-R146 PolarHBondContact O-NH1 3.19Å; A134-R146 PolarHBondContact O-NH2 3.4Å; V139-R146 PolarHBondContact O-NH2 3.38Å; M141-R146 HydrophobicContact CB-CG 3.63Å; M141-R146 HydrophobicContact CE-CG 4.33Å; M141-R146 HydrophobicContact CG-CG 4.47Å; M141-R146 HydrophobicContact SD-CG 4.06Å; T142-R146 PolarHBondContact O-N 2.93Å; F144-R146 VanDerWaalsContact C-N 3.31Å; F144-R146 PolarHBondContact O-N 2.62Å; R146-M149 PolarHBondContact O-N 3.06Å; R146-A150 PolarHBondContact O-N 3.3Å
147	L	45.2	Very low	47.3	Very low	5 Å²	5	60.1 Å²	60.1	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-50	176.8	176.9	66.1	0	0	0	111.9	L94 P96 E99 L106 P143 F144 M149 A150 Q151	L94-L147 HydrophobicContact CB-CD1 4Å; L94-L147 HydrophobicContact CB-CD2 4.1Å; L94-L147 HydrophobicContact CB-CG 4.47Å; L94-L147 HydrophobicContact CD1-CD1 3.59Å; L94-L147 HydrophobicContact CG-CD1 4.4Å; P96-L147 HydrophobicContact CB-CD2 4.15Å; E99-L147 HydrophobicContact CB-CD1 4.15Å; E99-L147 HydrophobicContact CB-CD2 4.11Å; E99-L147 HydrophobicContact CG-CD1 4.49Å; L106-L147 HydrophobicContact CD1-CD1 4.48Å; L106-L147 HydrophobicContact CD2-CD1 3.36Å; P143-L147 VanDerWaalsContact O-CB 3.31Å; P143-L147 WeakPolarHBondContact O-CB 3.09Å; P143-L147 PolarHBondContact O-N 2.74Å; F144-L147 PolarHBondContact O-N 3.36Å; L147-M149 PolarHBondContact O-N 3.33Å; L147-A150 PolarHBondContact O-N 2.8Å; L147-Q151 HydrophobicContact CD1-CG 4.37Å; L147-Q151 WeakPolarHBondContact O-CB 3.33Å; L147-Q151 VanDerWaalsContact O-CG 3.27Å; L147-Q151 WeakPolarHBondContact O-CG 3.27Å; L147-Q151 PolarHBondContact O-N 3.03Å
148	A	48.8	Very low	47.2	Very low	24 Å²	24	55.6 Å²	55.6	20%	0.198	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-37.5	179.9	0	0	0	0	0	111.6	F144 E145 R152	F144-A148 HydrophobicContact CE1-CB 4.37Å; F144-A148 WeakPolarHBondContact O-CB 3.27Å; F144-A148 PolarHBondContact O-N 2.83Å; E145-A148 PolarHBondContact O-N 3.46Å; A148-R152 VanDerWaalsContact O-CG 3.25Å; A148-R152 WeakPolarHBondContact O-CG 3.36Å; A148-R152 PolarHBondContact O-N 3.37Å
149	M	50.5	Low	47.7	Very low	11 Å²	11	56.6 Å²	56.6	5%	0.054	26%	0.263	C	S	.	.	H	α-helix	trans	-68.9	-48.4	175.2	176.4	-168.2	-83.2	0	0	112.8	D38 A133 M141 E145 R146 L147 Q151 R152 I153	D38-M149 HydrophobicContact CB-CE 3.3Å; D38-M149 WeakPolarHBondContact OD1-CE 3.37Å; A133-M149 HydrophobicContact CB-CE 4.32Å; A133-M149 HydrophobicContact CB-CG 4.13Å; A133-M149 HydrophobicContact CB-SD 3.34Å; A133-M149 WeakPolarHBondContact CB-SD 3.39Å; A133-M149 WeakPolarHBondContact O-CE 3.47Å; M141-M149 HydrophobicContact CE-CE 3.47Å; M141-M149 VanDerWaalsContact CE-CE 3.47Å; M141-M149 HydrophobicContact CE-SD 4.16Å; M141-M149 HydrophobicContact SD-CE 4.14Å; E145-M149 VanDerWaalsContact O-CB 3.27Å; E145-M149 WeakPolarHBondContact O-CB 3.35Å; E145-M149 PolarHBondContact O-N 2.94Å; R146-M149 PolarHBondContact O-N 3.06Å; L147-M149 PolarHBondContact O-N 3.33Å; M149-Q151 VanDerWaalsContact C-N 3.28Å; M149-Q151 PolarHBondContact O-N 2.89Å; M149-R152 WeakPolarHBondContact O-CB 3.41Å; M149-R152 PolarHBondContact O-N 2.82Å; M149-R152 VanDerWaalsContact O-N 3.11Å; M149-I153 HydrophobicContact CG-CD1 4.09Å; M149-I153 WeakPolarHBondContact O-CG1 3.33Å; M149-I153 PolarHBondContact O-N 3.03Å
150	A	51.5	Low	47.7	Very low	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.8	-44.5	174.9	0	0	0	0	0	111.2	Y103 L106 M130 R146 L147 R152 I153 V154	Y103-A150 HydrophobicContact CE2-CB 3.86Å; L106-A150 HydrophobicContact CD2-CB 3.43Å; L106-A150 VanDerWaalsContact CD2-CB 3.43Å; L106-A150 HydrophobicContact CG-CB 4.32Å; M130-A150 HydrophobicContact CE-CB 3.37Å; R146-A150 PolarHBondContact O-N 3.3Å; L147-A150 PolarHBondContact O-N 2.8Å; A150-R152 VanDerWaalsContact C-N 3.33Å; A150-R152 PolarHBondContact O-N 2.93Å; A150-I153 PolarHBondContact O-N 3.16Å; A150-V154 WeakPolarHBondContact O-CB 3.47Å; A150-V154 WeakPolarHBondContact O-CG2 3.39Å; A150-V154 PolarHBondContact O-N 2.97Å
151	Q	49.7	Very low	47.7	Very low	37 Å²	37	48.8 Å²	48.8	17%	0.173	23%	0.229	C	C	.	.	H	α-helix	trans	-57.8	-43.9	174.6	-74.4	177.8	-35.9	0	0	112.4	I92 L94 L147 M149 V154 Y155	I92-Q151 HydrophobicContact CB-CG 4.18Å; I92-Q151 HydrophobicContact CD1-CB 4.12Å; I92-Q151 HydrophobicContact CD1-CG 4.3Å; I92-Q151 HydrophobicContact CG2-CG 4.17Å; I92-Q151 PolarHBondContact O-NE2 3.32Å; L94-Q151 HydrophobicContact CD1-CG 3.89Å; L147-Q151 HydrophobicContact CD1-CG 4.37Å; L147-Q151 WeakPolarHBondContact O-CB 3.33Å; L147-Q151 VanDerWaalsContact O-CG 3.27Å; L147-Q151 WeakPolarHBondContact O-CG 3.27Å; L147-Q151 PolarHBondContact O-N 3.03Å; M149-Q151 VanDerWaalsContact C-N 3.28Å; M149-Q151 PolarHBondContact O-N 2.89Å; Q151-V154 PolarHBondContact O-N 3.27Å; Q151-Y155 WeakPolarHBondContact O-CB 3.34Å; Q151-Y155 PolarHBondContact O-N 3.01Å
152	R	50.5	Low	47.4	Very low	132 Å²	132	51.4 Å²	51.4	50%	0.498	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-43.7	176.5	-76.5	171.6	178.1	-161.5	-1	112	A148 M149 A150 Y155 T156	A148-R152 VanDerWaalsContact O-CG 3.25Å; A148-R152 WeakPolarHBondContact O-CG 3.36Å; A148-R152 PolarHBondContact O-N 3.37Å; M149-R152 WeakPolarHBondContact O-CB 3.41Å; M149-R152 PolarHBondContact O-N 2.82Å; M149-R152 VanDerWaalsContact O-N 3.11Å; A150-R152 VanDerWaalsContact C-N 3.33Å; A150-R152 PolarHBondContact O-N 2.93Å; R152-Y155 PolarHBondContact O-N 3.46Å; R152-T156 PolarHBondContact O-N 3.12Å; R152-T156 PolarHBondContact O-OG1 3Å; R152-T156 VanDerWaalsContact O-OG1 3.09Å
153	I	55.8	Low	47	Very low	8 Å²	8	54.1 Å²	54.1	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-50.9	176.5	-71	170.5	0	0	0	110.8	L126 F129 M130 A133 M149 A150 Y155 T156 L157	L126-I153 HydrophobicContact CD1-CG2 3.6Å; F129-I153 HydrophobicContact CD1-CB 4.49Å; F129-I153 HydrophobicContact CD1-CD1 3.85Å; F129-I153 HydrophobicContact CD1-CG1 4.15Å; F129-I153 HydrophobicContact CD1-CG2 3.61Å; F129-I153 HydrophobicContact CE1-CB 3.95Å; F129-I153 HydrophobicContact CE1-CD1 3.54Å; F129-I153 HydrophobicContact CE1-CG1 3.42Å; F129-I153 VanDerWaalsContact CE1-CG1 3.42Å; F129-I153 HydrophobicContact CE1-CG2 3.39Å; F129-I153 HydrophobicContact CE2-CD1 4.49Å; F129-I153 HydrophobicContact CG-CD1 4.47Å; F129-I153 HydrophobicContact CZ-CD1 3.95Å; F129-I153 HydrophobicContact CZ-CG1 3.88Å; M130-I153 HydrophobicContact CG-CD1 4.1Å; M130-I153 HydrophobicContact CG-CG2 3.95Å; M130-I153 HydrophobicContact SD-CG2 4.48Å; A133-I153 HydrophobicContact CB-CD1 3.81Å; M149-I153 HydrophobicContact CG-CD1 4.09Å; M149-I153 WeakPolarHBondContact O-CG1 3.33Å; M149-I153 PolarHBondContact O-N 3.03Å; A150-I153 PolarHBondContact O-N 3.16Å; I153-Y155 VanDerWaalsContact C-N 3.29Å; I153-Y155 PolarHBondContact O-N 3.45Å; I153-T156 PolarHBondContact O-N 3.36Å; I153-L157 HydrophobicContact CG2-CD1 4.28Å; I153-L157 WeakPolarHBondContact O-CG 3.38Å; I153-L157 PolarHBondContact O-N 3.03Å
154	V	48.4	Very low	46.4	Very low	8 Å²	8	52.5 Å²	52.5	5%	0.048	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-42	178.3	175	0	0	0	0	111.5	I92 V110 M113 M130 A150 Q151 L157 K158	I92-V154 HydrophobicContact CD1-CG1 4.43Å; V110-V154 HydrophobicContact CB-CG2 3.97Å; V110-V154 HydrophobicContact CG1-CG2 3.48Å; V110-V154 VanDerWaalsContact CG1-CG2 3.48Å; V110-V154 HydrophobicContact CG2-CB 4.46Å; V110-V154 HydrophobicContact CG2-CG1 4.42Å; V110-V154 HydrophobicContact CG2-CG2 3.23Å; M113-V154 HydrophobicContact CE-CG1 4.16Å; M130-V154 HydrophobicContact CE-CG2 4.38Å; A150-V154 WeakPolarHBondContact O-CB 3.47Å; A150-V154 WeakPolarHBondContact O-CG2 3.39Å; A150-V154 PolarHBondContact O-N 2.97Å; Q151-V154 PolarHBondContact O-N 3.27Å; V154-L157 PolarHBondContact O-N 3.19Å; V154-K158 HydrophobicContact CG1-CD 4.29Å; V154-K158 HydrophobicContact CG1-CG 4.41Å; V154-K158 WeakPolarHBondContact O-CB 3.18Å; V154-K158 WeakPolarHBondContact O-CG 3.3Å; V154-K158 PolarHBondContact O-N 3.15Å
155	Y	50.9	Low	45.7	Very low	39 Å²	39	50.4 Å²	50.4	15%	0.153	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-47.7	177.4	175.9	-89.6	0	0	0	111.8	T88 V90 Q151 R152 I153 L157 K158 R159	T88-Y155 VanDerWaalsContact CB-CE1 3.4Å; T88-Y155 HydrophobicContact CG2-CD1 3.74Å; T88-Y155 HydrophobicContact CG2-CE1 3.41Å; T88-Y155 VanDerWaalsContact CG2-CE1 3.41Å; V90-Y155 HydrophobicContact CB-CD2 4.48Å; V90-Y155 HydrophobicContact CB-CE2 3.93Å; V90-Y155 HydrophobicContact CG2-CE2 4.01Å; Q151-Y155 WeakPolarHBondContact O-CB 3.34Å; Q151-Y155 PolarHBondContact O-N 3.01Å; R152-Y155 PolarHBondContact O-N 3.46Å; I153-Y155 VanDerWaalsContact C-N 3.29Å; I153-Y155 PolarHBondContact O-N 3.45Å; Y155-L157 PolarHBondContact O-N 2.96Å; Y155-K158 PolarHBondContact O-N 3.02Å; Y155-R159 HydrophobicContact CE1-CB 4.31Å; Y155-R159 WeakPolarHBondContact O-CB 3.08Å; Y155-R159 PolarHBondContact O-N 2.93Å; Y155-R159 PolarHBondContact OH-NH1 3.2Å
156	T	48.8	Very low	45.1	Very low	40 Å²	40	51.8 Å²	51.8	25%	0.245	24%	0.239	C	C	.	.	H	α-helix	trans	-55.8	-40.5	176.7	-63.2	0	0	0	0	111.1	R152 I153 N160	R152-T156 PolarHBondContact O-N 3.12Å; R152-T156 PolarHBondContact O-OG1 3Å; R152-T156 VanDerWaalsContact O-OG1 3.09Å; I153-T156 PolarHBondContact O-N 3.36Å; T156-N160 WeakPolarHBondContact O-CB 3.44Å; T156-N160 PolarHBondContact O-N 3.09Å; T156-N160 PolarHBondContact O-ND2 3.46Å
157	L	49.2	Very low	44.2	Very low	13 Å²	13	50.1 Å²	50.1	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-51.6	175.8	-67.7	172.3	0	0	0	112.3	M56 L114 L126 I153 V154 Y155 R159 N160 F161 F164	M56-L157 HydrophobicContact CE-CD2 3.83Å; L114-L157 HydrophobicContact CD1-CD1 4.05Å; L126-L157 HydrophobicContact CD1-CD1 3.35Å; L126-L157 HydrophobicContact CD2-CD1 3.22Å; L126-L157 HydrophobicContact CG-CD1 3.89Å; I153-L157 HydrophobicContact CG2-CD1 4.28Å; I153-L157 WeakPolarHBondContact O-CG 3.38Å; I153-L157 PolarHBondContact O-N 3.03Å; V154-L157 PolarHBondContact O-N 3.19Å; Y155-L157 PolarHBondContact O-N 2.96Å; L157-R159 VanDerWaalsContact C-N 3.32Å; L157-R159 PolarHBondContact O-N 3.28Å; L157-N160 CarbonylContact O-C 3.52Å; L157-N160 PolarHBondContact O-N 3.41Å; L157-F161 WeakPolarHBondContact O-CA 3.42Å; L157-F161 VanDerWaalsContact O-CB 3.3Å; L157-F161 WeakPolarHBondContact O-CB 3.33Å; L157-F161 PolarHBondContact O-N 2.98Å; L157-F164 HydrophobicContact CD2-CE2 4.47Å
158	K	45.5	Very low	43.2	Very low	107 Å²	107	51.5 Å²	51.5	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-60.2	-35.9	180	-79.8	-168.2	176.4	-174.1	0	113.6	M113 V154 Y155 F161	M113-K158 VanDerWaalsContact SD-CE 3.56Å; M113-K158 PolarHBondContact SD-NZ 3.42Å; V154-K158 HydrophobicContact CG1-CD 4.29Å; V154-K158 HydrophobicContact CG1-CG 4.41Å; V154-K158 WeakPolarHBondContact O-CB 3.18Å; V154-K158 WeakPolarHBondContact O-CG 3.3Å; V154-K158 PolarHBondContact O-N 3.15Å; Y155-K158 PolarHBondContact O-N 3.02Å; K158-F161 WeakPolarHBondContact O-CB 3.36Å
159	R	49.2	Very low	42.1	Very low	123 Å²	123	55.8 Å²	55.8	46%	0.464	27%	0.267	S	S	.	.	H	α-helix	trans	-75	-41.1	179.6	-177.2	177.5	179.5	152.7	-7	112.2	V87 Y155 L157 F161 P162	V87-R159 PolarHBondContact O-NH1 2.94Å; Y155-R159 HydrophobicContact CE1-CB 4.31Å; Y155-R159 WeakPolarHBondContact O-CB 3.08Å; Y155-R159 PolarHBondContact O-N 2.93Å; Y155-R159 PolarHBondContact OH-NH1 3.2Å; L157-R159 VanDerWaalsContact C-N 3.32Å; L157-R159 PolarHBondContact O-N 3.28Å; R159-F161 PolarHBondContact O-N 3.45Å; R159-P162 WeakPolarHBondContact O-CD 3.32Å
160	N	44.4	Very low	41.2	Very low	36 Å²	36	57.9 Å²	57.9	19%	0.193	29%	0.286	C	S	.	.	H	α-helix	trans	-80.2	-6.9	175.9	-68.5	-65.5	0	0	0	112	T156 L157 R163 F164	T156-N160 WeakPolarHBondContact O-CB 3.44Å; T156-N160 PolarHBondContact O-N 3.09Å; T156-N160 PolarHBondContact O-ND2 3.46Å; L157-N160 CarbonylContact O-C 3.52Å; L157-N160 PolarHBondContact O-N 3.41Å; N160-R163 CarbonylContact O-C 3.57Å; N160-R163 WeakPolarHBondContact O-CA 3.28Å; N160-R163 WeakPolarHBondContact O-CB 3.31Å; N160-R163 PolarHBondContact O-N 3.3Å; N160-F164 HydrophobicContact CB-CD2 3.75Å; N160-F164 HydrophobicContact CB-CE1 4.28Å; N160-F164 HydrophobicContact CB-CE2 3.16Å; N160-F164 HydrophobicContact CB-CZ 3.43Å; N160-F164 VanDerWaalsContact CB-CZ 3.43Å; N160-F164 WeakPolarHBondContact O-CD2 3.49Å; N160-F164 WeakPolarHBondContact O-CG 3.41Å; N160-F164 PolarHBondContact O-N 3.46Å
161	F	40.8	Very low	40.1	Very low	40 Å²	40	63.2 Å²	63.2	18%	0.175	31%	0.314	C	S	.	.	H	α-helix	trans	-50.7	-47	-178.5	-173.4	-98.2	0	0	0	114.9	Y117 Y118 L157 K158 R159 R163 F164 M165	Y117-F161 HydrophobicContact CD1-CE1 4.27Å; Y117-F161 HydrophobicContact CD1-CE2 4.31Å; Y117-F161 AromaticContact CD1-CZ 3.44Å; Y117-F161 HydrophobicContact CD1-CZ 3.44Å; Y117-F161 VanDerWaalsContact CD1-CZ 3.44Å; Y117-F161 HydrophobicContact CD2-CE2 4.27Å; Y117-F161 HydrophobicContact CD2-CZ 4.04Å; Y117-F161 HydrophobicContact CE1-CZ 4.14Å; Y117-F161 HydrophobicContact CG-CE1 4.47Å; Y117-F161 AromaticContact CG-CE2 3.76Å; Y117-F161 HydrophobicContact CG-CE2 3.76Å; Y117-F161 AromaticContact CG-CZ 3.35Å; Y117-F161 HydrophobicContact CG-CZ 3.35Å; Y118-F161 HydrophobicContact CD2-CE2 4.21Å; Y118-F161 AromaticContact CE2-CD2 3.59Å; Y118-F161 HydrophobicContact CE2-CD2 3.59Å; Y118-F161 AromaticContact CE2-CE2 3.54Å; Y118-F161 HydrophobicContact CE2-CE2 3.54Å; Y118-F161 AromaticContact CZ-CD2 3.84Å; L157-F161 WeakPolarHBondContact O-CA 3.42Å; L157-F161 VanDerWaalsContact O-CB 3.3Å; L157-F161 WeakPolarHBondContact O-CB 3.33Å; L157-F161 PolarHBondContact O-N 2.98Å; K158-F161 WeakPolarHBondContact O-CB 3.36Å; R159-F161 PolarHBondContact O-N 3.45Å; F161-R163 PolarHBondContact O-N 2.86Å; F161-F164 PolarHBondContact O-N 3.34Å; F161-M165 HydrophobicContact CD1-CG 4.16Å; F161-M165 HydrophobicContact CE1-CG 3.71Å; F161-M165 HydrophobicContact CE1-SD 4.26Å; F161-M165 HydrophobicContact CE2-CG 4.26Å; F161-M165 HydrophobicContact CZ-CG 3.74Å; F161-M165 HydrophobicContact CZ-SD 3.96Å; F161-M165 WeakPolarHBondContact O-CB 3.47Å; F161-M165 WeakPolarHBondContact O-CG 3.36Å; F161-M165 PolarHBondContact O-N 2.93Å
162	P	40.9	Very low	39	Very low	75 Å²	75	68 Å²	68	49%	0.487	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-35.6	175.7	-20.6	34	0	0	0	111.8	R159 I166	R159-P162 WeakPolarHBondContact O-CD 3.32Å; P162-I166 WeakPolarHBondContact O-CD1 3.41Å; P162-I166 WeakPolarHBondContact O-CG1 3.25Å; P162-I166 PolarHBondContact O-N 2.94Å; P162-I166 VanDerWaalsContact O-N 3.11Å
163	R	37.2	Very low	38.2	Very low	127 Å²	127	72.6 Å²	72.6	48%	0.479	35%	0.353	S	S	.	.	H	α-helix	trans	-74.1	-36	179.7	-56.6	178.5	87.6	-155.1	-4.4	111.3	E59 N160 F161 A167	E59-R163 IonicContact OE1-CZ 3.29Å; E59-R163 IonicContact OE1-NH1 3.39Å; E59-R163 IonicContact OE1-NH2 2.93Å; E59-R163 PolarHBondContact OE1-NH2 2.95Å; E59-R163 IonicContact OE2-CZ 3.99Å; E59-R163 IonicContact OE2-NH1 3.62Å; E59-R163 PolarHBondContact OE2-NH1 3.41Å; E59-R163 IonicContact OE2-NH2 3.95Å; E59-R163 PolarHBondContact OE2-NH2 3.3Å; N160-R163 CarbonylContact O-C 3.57Å; N160-R163 WeakPolarHBondContact O-CA 3.28Å; N160-R163 WeakPolarHBondContact O-CB 3.31Å; N160-R163 PolarHBondContact O-N 3.3Å; F161-R163 PolarHBondContact O-N 2.86Å; R163-A167 VanDerWaalsContact O-CB 3.23Å; R163-A167 WeakPolarHBondContact O-CB 3.27Å; R163-A167 PolarHBondContact O-N 2.74Å
164	F	33	Very low	37.2	Very low	19 Å²	19	85.7 Å²	85.7	8%	0.083	40%	0.402	C	S	.	.	H	α-helix	trans	-71.3	-38.8	173.9	-62.5	-43.4	0	0	0	113	L55 M56 L157 N160 F161 A167 G168	L55-F164 HydrophobicContact CD2-CD1 3.89Å; L55-F164 HydrophobicContact CD2-CE1 3.96Å; M56-F164 HydrophobicContact CB-CE1 4.36Å; M56-F164 HydrophobicContact CB-CZ 4.49Å; M56-F164 HydrophobicContact CE-CZ 4.24Å; M56-F164 HydrophobicContact CG-CD1 4.26Å; M56-F164 HydrophobicContact CG-CE1 3.33Å; M56-F164 HydrophobicContact CG-CE2 4.26Å; M56-F164 HydrophobicContact CG-CZ 3.35Å; M56-F164 HydrophobicContact SD-CZ 4.28Å; L157-F164 HydrophobicContact CD2-CE2 4.47Å; N160-F164 HydrophobicContact CB-CD2 3.75Å; N160-F164 HydrophobicContact CB-CE1 4.28Å; N160-F164 HydrophobicContact CB-CE2 3.16Å; N160-F164 HydrophobicContact CB-CZ 3.43Å; N160-F164 VanDerWaalsContact CB-CZ 3.43Å; N160-F164 WeakPolarHBondContact O-CD2 3.49Å; N160-F164 WeakPolarHBondContact O-CG 3.41Å; N160-F164 PolarHBondContact O-N 3.46Å; F161-F164 PolarHBondContact O-N 3.34Å; F164-A167 PolarHBondContact O-N 3.43Å; F164-G168 PolarHBondContact O-N 2.87Å
165	M	26.8	Very low	36.7	Very low	76 Å²	76	89.6 Å²	89.6	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-60.1	-48.3	173	-80.1	-92.6	-70.6	0	0	111.4	F161 A167 G168 Q169	F161-M165 HydrophobicContact CD1-CG 4.16Å; F161-M165 HydrophobicContact CE1-CG 3.71Å; F161-M165 HydrophobicContact CE1-SD 4.26Å; F161-M165 HydrophobicContact CE2-CG 4.26Å; F161-M165 HydrophobicContact CZ-CG 3.74Å; F161-M165 HydrophobicContact CZ-SD 3.96Å; F161-M165 WeakPolarHBondContact O-CB 3.47Å; F161-M165 WeakPolarHBondContact O-CG 3.36Å; F161-M165 PolarHBondContact O-N 2.93Å; M165-A167 VanDerWaalsContact C-N 3.34Å; M165-A167 PolarHBondContact O-N 3.12Å; M165-G168 PolarHBondContact O-N 2.82Å; M165-Q169 WeakPolarHBondContact O-CG 3.44Å; M165-Q169 PolarHBondContact O-N 3.11Å
166	I	31.8	Very low	35.9	Very low	116 Å²	116	92.3 Å²	92.3	60%	0.595	43%	0.434	S	S	*	.	H	α-helix	trans	-63.6	-42	177.5	-66.8	165.3	0	0	0	110.6	P162 A170	P162-I166 WeakPolarHBondContact O-CD1 3.41Å; P162-I166 WeakPolarHBondContact O-CG1 3.25Å; P162-I166 PolarHBondContact O-N 2.94Å; P162-I166 VanDerWaalsContact O-N 3.11Å; I166-A170 WeakPolarHBondContact O-CB 3.5Å; I166-A170 PolarHBondContact O-N 3.01Å
167	A	28.6	Very low	35.2	Very low	17 Å²	17	95.2 Å²	95.2	14%	0.14	45%	0.445	C	S	.	.	H	α-helix	trans	-68.4	-39.3	178.3	0	0	0	0	0	112.8	L55 R163 F164 M165 A170 I171	L55-A167 HydrophobicContact CD1-CB 4.08Å; L55-A167 HydrophobicContact CD2-CB 4.09Å; R163-A167 VanDerWaalsContact O-CB 3.23Å; R163-A167 WeakPolarHBondContact O-CB 3.27Å; R163-A167 PolarHBondContact O-N 2.74Å; F164-A167 PolarHBondContact O-N 3.43Å; M165-A167 VanDerWaalsContact C-N 3.34Å; M165-A167 PolarHBondContact O-N 3.12Å; A167-A170 PolarHBondContact O-N 2.95Å; A167-I171 VanDerWaalsContact O-CG1 3.26Å; A167-I171 WeakPolarHBondContact O-CG1 3.2Å; A167-I171 PolarHBondContact O-N 3.11Å
168	G	24.4	Very low	34.4	Very low	33 Å²	33	100 Å²	100	34%	0.34	47%	0.467	S	S	.	.	H	α-helix	trans	-63.9	-45.3	176.1	0	0	0	0	0	112	F164 M165 A170 I171 E172	F164-G168 PolarHBondContact O-N 2.87Å; M165-G168 PolarHBondContact O-N 2.82Å; G168-A170 VanDerWaalsContact C-N 3.28Å; G168-A170 PolarHBondContact O-N 2.72Å; G168-I171 PolarHBondContact O-N 3.26Å; G168-I171 VanDerWaalsContact O-N 3.15Å; G168-E172 PolarHBondContact O-N 2.92Å
169	Q	27.2	Very low	33.7	Very low	114 Å²	114	99.6 Å²	99.6	53%	0.533	47%	0.467	S	S	.	.	H	α-helix	trans	-62.6	-33.7	173.2	-72.7	-178.5	-12.2	0	0	112.8	M165 R173	M165-Q169 WeakPolarHBondContact O-CG 3.44Å; M165-Q169 PolarHBondContact O-N 3.11Å; Q169-R173 WeakPolarHBondContact O-CG 3.26Å
170	A	30.7	Very low	32.7	Very low	55 Å²	55	98 Å²	98	46%	0.455	47%	0.467	S	S	.	.	H	α-helix	trans	-73	-28.8	175.8	0	0	0	0	0	112.9	I166 A167 G168	I166-A170 WeakPolarHBondContact O-CB 3.5Å; I166-A170 PolarHBondContact O-N 3.01Å; A167-A170 PolarHBondContact O-N 2.95Å; G168-A170 VanDerWaalsContact C-N 3.28Å; G168-A170 PolarHBondContact O-N 2.72Å
171	I	28.6	Very low	31.8	Very low	112 Å²	112	102.4 Å²	102.4	57%	0.574	49%	0.487	S	S	*	.	H	α-helix	trans	-78	-40.4	175.5	-68.6	165.4	0	0	0	110.7	A167 G168 R173 R174	A167-I171 VanDerWaalsContact O-CG1 3.26Å; A167-I171 WeakPolarHBondContact O-CG1 3.2Å; A167-I171 PolarHBondContact O-N 3.11Å; G168-I171 PolarHBondContact O-N 3.26Å; G168-I171 VanDerWaalsContact O-N 3.15Å; I171-R173 PolarHBondContact O-N 3.33Å; I171-R173 VanDerWaalsContact O-N 3.13Å; I171-R174 PolarHBondContact O-N 2.97Å
172	E	26.3	Very low	31.1	Very low	139 Å²	139	107.2 Å²	107.2	65%	0.65	51%	0.511	S	S	*	.	H	α-helix	trans	-63.8	-16.8	176.1	-76.9	-173.9	164.6	0	0	113.8	M119 G168	M119-E172 WeakPolarHBondContact CE-OE1 3.44Å; G168-E172 PolarHBondContact O-N 2.92Å
173	R	34	Very low	30.3	Very low	227 Å²	227	109.9 Å²	109.9	86%	0.857	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.9	173.8	-71.4	-178	-178.7	-170.8	1.3	114.1	Q169 I171	Q169-R173 WeakPolarHBondContact O-CG 3.26Å; I171-R173 PolarHBondContact O-N 3.33Å; I171-R173 VanDerWaalsContact O-N 3.13Å
174	R	35.3	Very low	29.7	Very low	284 Å²	284	108.4 Å²	108.4	100%	1.072	52%	0.516	S	S	*	.			trans	-111.5	0	176.7	-73.1	-173.8	178.6	-168.8	-0	111	I171	I171-R174 PolarHBondContact O-N 2.97Å

Retrieved 174 of 174 residues in 307.6 ms (Link to these results)

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