A0A5K4EZR2_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4EZR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 287 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	33	Very low	28.9	Very low	233 Å²	233	148.8 Å²	148.8	100%	1.148	74%	0.739	S	S	*	*				0	73.6	0	-70.8	-176.5	-179.4	0	0	107.7
2	T	26.1	Very low	28.8	Very low	133 Å²	133	144.5 Å²	144.5	82%	0.816	72%	0.719	S	S	*	*				41	74.2	87.1	43.9	0	0	0	0	114.1
3	A	25.3	Very low	28.8	Very low	96 Å²	96	144.2 Å²	144.2	79%	0.793	71%	0.712	S	S	*	*			trans	-108.6	78.2	157.4	0	0	0	0	0	108.7	Y5	A3-Y5 VanDerWaalsContact C-N 3.29Å; A3-Y5 PolarHBondContact O-N 3.14Å; A3-Y5 VanDerWaalsContact O-N 3.07Å
4	L	25.1	Very low	29	Very low	150 Å²	150	140.8 Å²	140.8	79%	0.785	70%	0.697	S	S	*	*			trans	-67.1	87.3	159.2	-90.3	96.5	0	0	0	107.7
5	Y	25.6	Very low	29.2	Very low	214 Å²	214	133.8 Å²	133.8	84%	0.839	68%	0.675	S	S	*	*			trans	-148.7	110.3	163.5	-89.1	-74.4	0	0	0	112.3	A3	A3-Y5 VanDerWaalsContact C-N 3.29Å; A3-Y5 PolarHBondContact O-N 3.14Å; A3-Y5 VanDerWaalsContact O-N 3.07Å
6	S	30.1	Very low	29.3	Very low	55 Å²	55	136.1 Å²	136.1	39%	0.385	67%	0.673	S	S	.	*			trans	84.5	57.2	144.2	79.4	0	0	0	0	120	R8 L9	S6-R8 PolarHBondContact O-N 3.22Å; S6-L9 PolarHBondContact O-N 2.71Å
7	H	31.1	Very low	29.7	Very low	170 Å²	170	131.5 Å²	131.5	79%	0.787	66%	0.658	S	S	*	*	H	α-helix	trans	-52.5	-18.6	155.5	-94.6	-72.9	0	0	0	113.5
8	R	30.3	Very low	30	Very low	219 Å²	219	129.7 Å²	129.7	83%	0.826	65%	0.65	S	S	*	*	H	α-helix	trans	-74.3	-31	172.4	-103.9	-178.6	172.3	-179.3	-2	114.7	S6 L12	S6-R8 PolarHBondContact O-N 3.22Å; R8-L12 PolarHBondContact O-N 3.23Å
9	L	27.4	Very low	30.3	Very low	93 Å²	93	128.5 Å²	128.5	49%	0.487	65%	0.646	S	S	.	*	H	α-helix	trans	-79.6	-33.2	-177.5	-93.8	158.1	0	0	0	112.2	S6 L12 F13	S6-L9 PolarHBondContact O-N 2.71Å; L9-L12 PolarHBondContact O-N 3.29Å; L9-F13 PolarHBondContact O-N 3.14Å
10	V	33.4	Very low	30.8	Very low	86 Å²	86	126.3 Å²	126.3	52%	0.521	64%	0.639	S	S	.	*	H	α-helix	trans	-67.9	-37.5	177.9	-178.8	0	0	0	0	111.5	F13 L14	V10-F13 PolarHBondContact O-N 3.12Å; V10-L14 HydrophobicContact CG1-CD1 3.97Å; V10-L14 WeakPolarHBondContact O-CB 3.48Å; V10-L14 PolarHBondContact O-N 2.79Å
11	Y	30.1	Very low	31.3	Very low	188 Å²	188	122 Å²	122	74%	0.737	62%	0.623	S	S	*	*	H	α-helix	trans	-66.3	-35.4	171.3	-99.8	-86.4	0	0	0	112.9	G15	Y11-G15 PolarHBondContact O-N 3.28Å
12	L	28.4	Very low	31.6	Very low	97 Å²	97	111.8 Å²	111.8	51%	0.508	57%	0.574	S	S	.	*	H	α-helix	trans	-70.8	-32.7	175.8	-100.9	149.6	0	0	0	112.5	R8 L9 R16	R8-L12 PolarHBondContact O-N 3.23Å; L9-L12 PolarHBondContact O-N 3.29Å; L12-R16 VanDerWaalsContact O-CB 3.3Å; L12-R16 WeakPolarHBondContact O-CB 3.44Å; L12-R16 VanDerWaalsContact O-CG 3.23Å; L12-R16 WeakPolarHBondContact O-CG 3.12Å; L12-R16 PolarHBondContact O-N 3.24Å
13	F	29	Very low	32.4	Very low	141 Å²	141	110 Å²	110	62%	0.618	56%	0.564	S	S	*	*	H	α-helix	trans	-78.5	-37.9	176	-99.9	-86	0	0	0	113.2	L9 V10 R16 S17	L9-F13 PolarHBondContact O-N 3.14Å; V10-F13 PolarHBondContact O-N 3.12Å; F13-R16 PolarHBondContact O-N 3.18Å; F13-S17 WeakPolarHBondContact O-CB 3.49Å; F13-S17 PolarHBondContact O-N 3.31Å; F13-S17 PolarHBondContact O-OG 3.11Å
14	L	31	Very low	33.4	Very low	96 Å²	96	112.3 Å²	112.3	50%	0.503	56%	0.562	S	S	.	*	H	α-helix	trans	-67.3	-40.8	171.5	-82	156.2	0	0	0	111.6	V10 R16 S17 L18	V10-L14 HydrophobicContact CG1-CD1 3.97Å; V10-L14 WeakPolarHBondContact O-CB 3.48Å; V10-L14 PolarHBondContact O-N 2.79Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 PolarHBondContact O-N 2.79Å; L14-S17 PolarHBondContact O-N 2.87Å; L14-S17 PolarHBondContact O-OG 3.22Å; L14-S17 VanDerWaalsContact O-OG 3.11Å; L14-L18 VanDerWaalsContact O-CB 3.31Å; L14-L18 WeakPolarHBondContact O-CB 3.36Å; L14-L18 WeakPolarHBondContact O-CD1 3.49Å; L14-L18 WeakPolarHBondContact O-CG 2.97Å; L14-L18 PolarHBondContact O-N 2.79Å
15	G	32.3	Very low	34.4	Very low	36 Å²	36	109.1 Å²	109.1	37%	0.371	55%	0.545	S	S	.	.	H	α-helix	trans	-64.5	-34.5	173.7	0	0	0	0	0	113.1	Y11 N19	Y11-G15 PolarHBondContact O-N 3.28Å; G15-N19 PolarHBondContact O-N 3.23Å
16	R	30.4	Very low	35.3	Very low	170 Å²	170	108.4 Å²	108.4	64%	0.642	54%	0.541	S	S	*	.	H	α-helix	trans	-74	-37.2	173.7	-79.3	178.2	174.7	-174.2	-1.4	112.7	L12 F13 L14 N19 T20	L12-R16 VanDerWaalsContact O-CB 3.3Å; L12-R16 WeakPolarHBondContact O-CB 3.44Å; L12-R16 VanDerWaalsContact O-CG 3.23Å; L12-R16 WeakPolarHBondContact O-CG 3.12Å; L12-R16 PolarHBondContact O-N 3.24Å; F13-R16 PolarHBondContact O-N 3.18Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 PolarHBondContact O-N 2.79Å; R16-N19 PolarHBondContact O-N 3.4Å; R16-T20 PolarHBondContact O-N 2.79Å; R16-T20 PolarHBondContact O-OG1 3.04Å
17	S	36	Very low	35.9	Very low	59 Å²	59	108 Å²	108	41%	0.413	54%	0.536	S	S	.	.	H	α-helix	trans	-72.6	-33	177.3	76	0	0	0	0	113.1	F13 L14 T20 A21	F13-S17 WeakPolarHBondContact O-CB 3.49Å; F13-S17 PolarHBondContact O-N 3.31Å; F13-S17 PolarHBondContact O-OG 3.11Å; L14-S17 PolarHBondContact O-N 2.87Å; L14-S17 PolarHBondContact O-OG 3.22Å; L14-S17 VanDerWaalsContact O-OG 3.11Å; S17-T20 VanDerWaalsContact CA-OG1 3.31Å; S17-T20 WeakPolarHBondContact CA-OG1 3.39Å; S17-T20 PolarHBondContact O-N 2.72Å; S17-T20 PolarHBondContact O-OG1 3.09Å; S17-A21 WeakPolarHBondContact O-CB 3.24Å; S17-A21 PolarHBondContact O-N 2.92Å
18	L	35.3	Very low	37	Very low	98 Å²	98	105.8 Å²	105.8	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-68.3	-34.9	173.4	-81	156.9	0	0	0	112	L14 A21 S22	L14-L18 VanDerWaalsContact O-CB 3.31Å; L14-L18 WeakPolarHBondContact O-CB 3.36Å; L14-L18 WeakPolarHBondContact O-CD1 3.49Å; L14-L18 WeakPolarHBondContact O-CG 2.97Å; L14-L18 PolarHBondContact O-N 2.79Å; L18-A21 PolarHBondContact O-N 3.08Å; L18-S22 WeakPolarHBondContact O-CB 3.32Å; L18-S22 PolarHBondContact O-N 2.9Å
19	N	35.2	Very low	37.9	Very low	108 Å²	108	97.7 Å²	97.7	58%	0.578	50%	0.499	S	S	*	.	H	α-helix	trans	-67.8	-40	172.3	-93	-14.1	0	0	0	112	G15 R16 S22 T23	G15-N19 PolarHBondContact O-N 3.23Å; R16-N19 PolarHBondContact O-N 3.4Å; N19-S22 PolarHBondContact O-N 3.01Å; N19-S22 PolarHBondContact O-OG 3.35Å; N19-T23 PolarHBondContact O-N 2.83Å
20	T	40.5	Very low	39.2	Very low	84 Å²	84	96.5 Å²	96.5	52%	0.515	50%	0.496	S	S	.	.	H	α-helix	trans	-69.3	-33.5	171.7	16.7	0	0	0	0	113.3	R16 S17 S22 T23 L24	R16-T20 PolarHBondContact O-N 2.79Å; R16-T20 PolarHBondContact O-OG1 3.04Å; S17-T20 VanDerWaalsContact CA-OG1 3.31Å; S17-T20 WeakPolarHBondContact CA-OG1 3.39Å; S17-T20 PolarHBondContact O-N 2.72Å; S17-T20 PolarHBondContact O-OG1 3.09Å; T20-S22 VanDerWaalsContact C-N 3.3Å; T20-S22 PolarHBondContact O-N 2.91Å; T20-T23 PolarHBondContact O-N 3.09Å; T20-T23 PolarHBondContact O-OG1 3.29Å; T20-L24 WeakPolarHBondContact O-CG 3.1Å; T20-L24 PolarHBondContact O-N 3Å
21	A	41.5	Very low	40.3	Very low	37 Å²	37	98.4 Å²	98.4	31%	0.306	50%	0.503	S	S	.	.	H	α-helix	trans	-66.4	-35.6	173	0	0	0	0	0	111.3	S17 L18 T23 L24 I25	S17-A21 WeakPolarHBondContact O-CB 3.24Å; S17-A21 PolarHBondContact O-N 2.92Å; L18-A21 PolarHBondContact O-N 3.08Å; A21-T23 VanDerWaalsContact C-N 3.29Å; A21-T23 PolarHBondContact O-N 2.88Å; A21-L24 PolarHBondContact O-N 3.46Å; A21-I25 VanDerWaalsContact O-CG1 3.32Å; A21-I25 WeakPolarHBondContact O-CG1 3.35Å; A21-I25 PolarHBondContact O-N 2.92Å
22	S	40	Very low	41.2	Very low	17 Å²	17	97.4 Å²	97.4	12%	0.119	50%	0.503	C	S	.	.	H	α-helix	trans	-68.5	-23.3	178.9	82.3	0	0	0	0	114.6	L18 N19 T20 R34	L18-S22 WeakPolarHBondContact O-CB 3.32Å; L18-S22 PolarHBondContact O-N 2.9Å; N19-S22 PolarHBondContact O-N 3.01Å; N19-S22 PolarHBondContact O-OG 3.35Å; T20-S22 VanDerWaalsContact C-N 3.3Å; T20-S22 PolarHBondContact O-N 2.91Å; S22-R34 VanDerWaalsContact CB-NH2 3.26Å
23	T	42.9	Very low	42.2	Very low	97 Å²	97	98 Å²	98	60%	0.595	50%	0.502	S	S	*	.	H	α-helix	trans	-80.6	-25.7	174	57.4	0	0	0	0	112.1	N19 T20 A21	N19-T23 PolarHBondContact O-N 2.83Å; T20-T23 PolarHBondContact O-N 3.09Å; T20-T23 PolarHBondContact O-OG1 3.29Å; A21-T23 VanDerWaalsContact C-N 3.29Å; A21-T23 PolarHBondContact O-N 2.88Å
24	L	45	Very low	43.2	Very low	144 Å²	144	95.1 Å²	95.1	75%	0.754	49%	0.487	S	S	*	.	H	α-helix	trans	-83.7	-34.8	177.7	-67.2	167.6	0	0	0	112.4	T20 A21 R26	T20-L24 WeakPolarHBondContact O-CG 3.1Å; T20-L24 PolarHBondContact O-N 3Å; A21-L24 PolarHBondContact O-N 3.46Å; L24-R26 PolarHBondContact O-N 3.14Å
25	I	47.2	Very low	44.1	Very low	83 Å²	83	94 Å²	94	43%	0.426	50%	0.499	S	S	.	.	S	Bend	trans	-79.9	110.4	179.8	-61.6	164.9	0	0	0	109.6	A21 P27 L29	A21-I25 VanDerWaalsContact O-CG1 3.32Å; A21-I25 WeakPolarHBondContact O-CG1 3.35Å; A21-I25 PolarHBondContact O-N 2.92Å; I25-P27 CarbonylContact O-C 3.52Å; I25-L29 HydrophobicContact CG2-CD1 3.85Å; I25-L29 HydrophobicContact CG2-CG 4.02Å
26	R	44.9	Very low	45.2	Very low	199 Å²	199	97.9 Å²	97.9	75%	0.751	51%	0.51	S	S	*	.	S	Bend	trans	-109.9	127.3	169.8	-63.7	-166.5	-176.8	-161.4	4	109.4	L24	L24-R26 PolarHBondContact O-N 3.14Å
27	P	42.2	Very low	46.4	Very low	45 Å²	45	93.5 Å²	93.5	29%	0.292	50%	0.498	S	S	.	.	S	Bend	cis	-78.9	159.4	2.5	33.5	-37.6	0	0	0	114.6	I25 L29 K197	I25-P27 CarbonylContact O-C 3.52Å; P27-L29 PolarHBondContact O-N 2.92Å; P27-L29 VanDerWaalsContact O-N 3.07Å; P27-K197 HydrophobicContact CB-CD 4.35Å; P27-K197 HydrophobicContact CG-CD 4.4Å; P27-K197 HydrophobicContact CG-CG 4.42Å
28	H	53.5	Low	47.5	Very low	124 Å²	124	98 Å²	98	57%	0.574	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-53.3	117.1	172.8	-173.5	75.9	0	0	0	110.6
29	L	50	Low	48.3	Very low	49 Å²	49	97 Å²	97	26%	0.257	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-83.9	122.3	176.6	-63.3	174.7	0	0	0	109	I25 P27 H33 R34 I37	I25-L29 HydrophobicContact CG2-CD1 3.85Å; I25-L29 HydrophobicContact CG2-CG 4.02Å; P27-L29 PolarHBondContact O-N 2.92Å; P27-L29 VanDerWaalsContact O-N 3.07Å; L29-H33 HydrophobicContact CB-CB 4.48Å; L29-H33 HydrophobicContact CD2-CB 4.37Å; L29-R34 HydrophobicContact CB-CG 4.22Å; L29-R34 PolarHBondContact O-NE 2.91Å; L29-R34 VanDerWaalsContact O-NE 3.11Å; L29-R34 PolarHBondContact O-NH2 3.35Å; L29-R34 VanDerWaalsContact O-NH2 3.15Å; L29-I37 HydrophobicContact CD1-CD1 4.38Å
30	T	55.2	Low	49.2	Very low	69 Å²	69	94.9 Å²	94.9	42%	0.423	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-67.6	157.3	171	68.5	0	0	0	0	110.4	K32 H33 R34	T30-K32 PolarHBondContact O-N 3.24Å; T30-K32 VanDerWaalsContact O-N 3.15Å; T30-H33 WeakPolarHBondContact O-CB 3.18Å; T30-H33 PolarHBondContact O-N 3.14Å; T30-H33 PolarHBondContact OG1-CE1 3.03Å; T30-H33 PolarHBondContact OG1-ND1 3.4Å; T30-R34 PolarHBondContact O-N 3.25Å
31	D	55.6	Low	49.4	Very low	125 Å²	125	94.8 Å²	94.8	67%	0.668	51%	0.509	S	S	*	.	H	α-helix	trans	-57.9	-32.1	179.6	-61.2	-40.2	0	0	0	112.9	H33 R34 G35	D31-H33 VanDerWaalsContact C-N 3.27Å; D31-H33 PolarHBondContact O-N 3.49Å; D31-R34 PolarHBondContact O-N 2.81Å; D31-R34 VanDerWaalsContact O-N 3.12Å; D31-R34 IonicContact OD1-NH1 3.78Å; D31-G35 PolarHBondContact O-N 2.73Å
32	K	49.1	Very low	50	Low	168 Å²	168	96.7 Å²	96.7	73%	0.73	52%	0.517	S	S	*	.	H	α-helix	trans	-57.3	-36.2	171.6	-170	178	-179.7	-179.6	0	113.3	T30 I36	T30-K32 PolarHBondContact O-N 3.24Å; T30-K32 VanDerWaalsContact O-N 3.15Å; K32-I36 WeakPolarHBondContact O-CD1 3.41Å; K32-I36 WeakPolarHBondContact O-CG1 3.45Å
33	H	49.9	Very low	50.3	Low	109 Å²	109	100.3 Å²	100.3	51%	0.505	53%	0.534	S	S	.	.	H	α-helix	trans	-79	-32.9	176.4	-63.9	103.3	0	0	0	111.5	L29 T30 D31 I36 I37	L29-H33 HydrophobicContact CB-CB 4.48Å; L29-H33 HydrophobicContact CD2-CB 4.37Å; T30-H33 WeakPolarHBondContact O-CB 3.18Å; T30-H33 PolarHBondContact O-N 3.14Å; T30-H33 PolarHBondContact OG1-CE1 3.03Å; T30-H33 PolarHBondContact OG1-ND1 3.4Å; D31-H33 VanDerWaalsContact C-N 3.27Å; D31-H33 PolarHBondContact O-N 3.49Å; H33-I36 PolarHBondContact O-N 2.93Å; H33-I37 VanDerWaalsContact O-CG1 3.25Å; H33-I37 WeakPolarHBondContact O-CG1 3.07Å
34	R	49.8	Very low	50.8	Low	80 Å²	80	101.5 Å²	101.5	30%	0.302	53%	0.533	S	S	.	.	H	α-helix	trans	-68.6	-35.6	-179.6	-63.6	179.3	-170.6	-178.2	2.4	112.6	S22 L29 T30 D31 I36	S22-R34 VanDerWaalsContact CB-NH2 3.26Å; L29-R34 HydrophobicContact CB-CG 4.22Å; L29-R34 PolarHBondContact O-NE 2.91Å; L29-R34 VanDerWaalsContact O-NE 3.11Å; L29-R34 PolarHBondContact O-NH2 3.35Å; L29-R34 VanDerWaalsContact O-NH2 3.15Å; T30-R34 PolarHBondContact O-N 3.25Å; D31-R34 PolarHBondContact O-N 2.81Å; D31-R34 VanDerWaalsContact O-N 3.12Å; D31-R34 IonicContact OD1-NH1 3.78Å; R34-I36 PolarHBondContact O-N 3.15Å
35	G	49.6	Very low	51	Low	72 Å²	72	98.2 Å²	98.2	74%	0.742	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-5.2	179.4	0	0	0	0	0	115.6	D31	D31-G35 PolarHBondContact O-N 2.73Å
36	I	55.3	Low	51.4	Low	119 Å²	119	96.6 Å²	96.6	61%	0.61	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-1.6	-171.8	-55.6	172.7	0	0	0	111.9	K32 H33 R34 E38	K32-I36 WeakPolarHBondContact O-CD1 3.41Å; K32-I36 WeakPolarHBondContact O-CG1 3.45Å; H33-I36 PolarHBondContact O-N 2.93Å; R34-I36 PolarHBondContact O-N 3.15Å; I36-E38 PolarHBondContact O-N 3.1Å
37	I	55.5	Low	51.5	Low	77 Å²	77	89.6 Å²	89.6	40%	0.395	50%	0.497	S	S	.	.			trans	-79.5	88	-175.6	-50.7	-177.7	0	0	0	110	L29 H33 S39 C40 L57	L29-I37 HydrophobicContact CD1-CD1 4.38Å; H33-I37 VanDerWaalsContact O-CG1 3.25Å; H33-I37 WeakPolarHBondContact O-CG1 3.07Å; I37-S39 WeakPolarHBondContact CG2-O 3.29Å; I37-C40 HydrophobicContact CG2-CB 4.32Å; I37-L57 WeakPolarHBondContact O-CD1 3.38Å
38	E	59	Low	52.1	Low	153 Å²	153	91.8 Å²	91.8	72%	0.715	51%	0.507	S	S	*	.	S	Bend	trans	-81.5	-23.3	171.9	-65.5	177.7	172.6	0	0	112.1	I36 C56 L57	I36-E38 PolarHBondContact O-N 3.1Å; E38-C56 CarbonylContact O-C 3.57Å; E38-C56 WeakPolarHBondContact O-CA 3.45Å; E38-L57 PolarHBondContact O-N 3.12Å
39	S	51.9	Low	52	Low	78 Å²	78	91.4 Å²	91.4	55%	0.545	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153.6	175.8	58.2	0	0	0	0	111.9	I37 L55	I37-S39 WeakPolarHBondContact CG2-O 3.29Å; S39-L55 CarbonylContact C-O 3.49Å; S39-L55 WeakPolarHBondContact CA-O 3.14Å; S39-L55 WeakPolarHBondContact CB-O 3.24Å
40	C	54.3	Low	52.1	Low	63 Å²	63	89.5 Å²	89.5	43%	0.426	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.1	172.4	71.9	0	0	0	0	111	I37 S54 L55	I37-C40 HydrophobicContact CG2-CB 4.32Å; C40-S54 WeakPolarHBondContact O-CA 3.35Å; C40-L55 PolarHBondContact N-O 3.47Å; C40-L55 PolarHBondContact O-N 3.46Å
41	C	46.2	Very low	52	Low	82 Å²	82	87.3 Å²	87.3	55%	0.554	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.3	171	-178.1	0	0	0	0	107.9	A53	C41-A53 CarbonylContact C-O 3.44Å; C41-A53 WeakPolarHBondContact CA-O 3.37Å
42	T	53.2	Low	52	Low	77 Å²	77	84.2 Å²	84.2	47%	0.472	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138	169.1	-177.5	0	0	0	0	109.1	Y52 A53	T42-Y52 CarbonylContact O-C 3.57Å; T42-Y52 WeakPolarHBondContact O-CA 3.39Å; T42-A53 HydrophobicContact CG2-CB 3.58Å; T42-A53 PolarHBondContact N-O 3.4Å; T42-A53 PolarHBondContact O-N 3.38Å
43	I	46.3	Very low	52.2	Low	94 Å²	94	76.8 Å²	76.8	48%	0.482	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.9	178.8	-57	174.7	0	0	0	106.9	V45 L50 S51	I43-V45 HydrophobicContact CG2-CG2 3.94Å; I43-L50 HydrophobicContact CG2-CD1 4.25Å; I43-S51 WeakPolarHBondContact CA-O 3.2Å
44	E	52.5	Low	52.5	Low	121 Å²	121	73 Å²	73	57%	0.565	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.1	171.4	-177.4	-179.6	-170	0	0	108.8	S51	E44-S51 PolarHBondContact N-O 3.26Å; E44-S51 PolarHBondContact O-N 2.77Å; E44-S51 VanDerWaalsContact O-O 3.14Å
45	V	50.7	Low	53	Low	76 Å²	76	71.6 Å²	71.6	46%	0.461	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	111.4	-177.7	-171.6	0	0	0	0	108.7	I43 L50 L75	I43-V45 HydrophobicContact CG2-CG2 3.94Å; V45-L50 HydrophobicContact CG2-CD1 3.88Å; V45-L75 HydrophobicContact CG1-CD1 4.25Å
46	T	54.1	Low	53.8	Low	49 Å²	49	69.9 Å²	69.9	30%	0.301	39%	0.387	S	S	.	.			trans	-98.4	179.8	170.6	68.3	0	0	0	0	110.3	D48 R49 R269	T46-D48 WeakPolarHBondContact CB-OD1 3.3Å; T46-D48 PolarHBondContact O-N 2.97Å; T46-D48 PolarHBondContact OG1-N 3.48Å; T46-D48 PolarHBondContact OG1-OD1 3.2Å; T46-R49 PolarHBondContact N-O 3.08Å; T46-R49 WeakPolarHBondContact OG1-CA 3.42Å; T46-R49 WeakPolarHBondContact OG1-CB 3.42Å; T46-R49 PolarHBondContact OG1-N 3.49Å; T46-R49 PolarHBondContact OG1-O 3.3Å; T46-R269 PolarHBondContact O-NH1 3.48Å
47	A	47.7	Very low	54.5	Low	51 Å²	51	68.3 Å²	68.3	42%	0.421	38%	0.38	S	S	.	.	S	Bend	trans	-59.3	-38.1	173.9	0	0	0	0	0	111.6
48	D	55.7	Low	55.4	Low	92 Å²	92	66.3 Å²	66.3	49%	0.492	37%	0.37	S	S	.	.	S	Bend	trans	-116.7	-8.2	-165.8	65.7	-36.5	0	0	0	114	T46 L75	T46-D48 WeakPolarHBondContact CB-OD1 3.3Å; T46-D48 PolarHBondContact O-N 2.97Å; T46-D48 PolarHBondContact OG1-N 3.48Å; T46-D48 PolarHBondContact OG1-OD1 3.2Å; D48-L75 CarbonylContact C-O 3.39Å; D48-L75 VanDerWaalsContact CA-O 3.22Å; D48-L75 WeakPolarHBondContact CA-O 3.44Å; D48-L75 CarbonylContact O-C 3.55Å; D48-L75 WeakPolarHBondContact O-CA 3.3Å; D48-L75 PolarHBondContact O-N 3.02Å
49	R	51.1	Low	56	Low	116 Å²	116	64.1 Å²	64.1	44%	0.438	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	149.3	-176.4	-58	-178.2	74.6	146	4.9	112.9	T46 S72 L73 L75	T46-R49 PolarHBondContact N-O 3.08Å; T46-R49 WeakPolarHBondContact OG1-CA 3.42Å; T46-R49 WeakPolarHBondContact OG1-CB 3.42Å; T46-R49 PolarHBondContact OG1-N 3.49Å; T46-R49 PolarHBondContact OG1-O 3.3Å; R49-S72 VanDerWaalsContact CZ-OG 3.31Å; R49-S72 PolarHBondContact NE-OG 3.42Å; R49-S72 VanDerWaalsContact NH2-CB 3.31Å; R49-S72 PolarHBondContact NH2-OG 2.98Å; R49-L73 CarbonylContact C-O 3.56Å; R49-L73 VanDerWaalsContact CA-O 3.31Å; R49-L73 WeakPolarHBondContact CA-O 3.44Å; R49-L75 VanDerWaalsContact O-CD1 3.29Å; R49-L75 WeakPolarHBondContact O-CD1 3.28Å
50	L	50.8	Low	57.4	Low	9 Å²	9	67.9 Å²	67.9	5%	0.047	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.1	164.5	-174.6	98.6	0	0	0	106.4	I43 V45 Y52 S72 L73 L75 I265	I43-L50 HydrophobicContact CG2-CD1 4.25Å; V45-L50 HydrophobicContact CG2-CD1 3.88Å; L50-Y52 HydrophobicContact CD2-CD1 4.28Å; L50-S72 CarbonylContact O-C 3.57Å; L50-S72 VanDerWaalsContact O-CA 3.27Å; L50-S72 WeakPolarHBondContact O-CA 3.45Å; L50-L73 HydrophobicContact CB-CB 4.43Å; L50-L73 HydrophobicContact CD2-CD1 4.18Å; L50-L73 PolarHBondContact N-O 2.9Å; L50-L73 PolarHBondContact O-N 3.33Å; L50-L75 HydrophobicContact CB-CD1 3.79Å; L50-L75 HydrophobicContact CB-CD2 4.07Å; L50-L75 HydrophobicContact CB-CG 3.9Å; L50-I265 HydrophobicContact CD1-CD1 4.44Å; L50-I265 HydrophobicContact CD1-CG2 3.81Å; L50-I265 HydrophobicContact CD2-CD1 4.05Å
51	S	54.1	Low	58.5	Low	23 Å²	23	68.3 Å²	68.3	16%	0.161	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.6	172.9	-60.9	0	0	0	0	108.8	I43 E44 N71 S72	I43-S51 WeakPolarHBondContact CA-O 3.2Å; E44-S51 PolarHBondContact N-O 3.26Å; E44-S51 PolarHBondContact O-N 2.77Å; E44-S51 VanDerWaalsContact O-O 3.14Å; S51-N71 WeakPolarHBondContact CA-O 3.05Å; S51-S72 PolarHBondContact OG-OG 3.3Å
52	Y	55.5	Low	59.6	Low	59 Å²	59	73.5 Å²	73.5	23%	0.231	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.7	171	68.9	-91.2	0	0	0	110.6	T42 L50 W70 N71	T42-Y52 CarbonylContact O-C 3.57Å; T42-Y52 WeakPolarHBondContact O-CA 3.39Å; L50-Y52 HydrophobicContact CD2-CD1 4.28Å; Y52-W70 WeakPolarHBondContact O-CA 3.04Å; Y52-W70 VanDerWaalsContact O-CD1 3.3Å; Y52-N71 HydrophobicContact CD1-CB 4.29Å; Y52-N71 HydrophobicContact CE1-CB 3.52Å; Y52-N71 HydrophobicContact CE2-CB 4.17Å; Y52-N71 VanDerWaalsContact CZ-CB 3.42Å; Y52-N71 PolarHBondContact N-O 3.37Å; Y52-N71 PolarHBondContact O-N 3.45Å; Y52-N71 VanDerWaalsContact O-N 3.07Å; Y52-N71 WeakPolarHBondContact OH-CB 3.27Å
53	A	53.3	Low	60.5	Low	12 Å²	12	77.3 Å²	77.3	10%	0.099	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.1	171.2	0	0	0	0	0	109.4	C41 T42 L67 S69	C41-A53 CarbonylContact C-O 3.44Å; C41-A53 WeakPolarHBondContact CA-O 3.37Å; T42-A53 HydrophobicContact CG2-CB 3.58Å; T42-A53 PolarHBondContact N-O 3.4Å; T42-A53 PolarHBondContact O-N 3.38Å; A53-L67 HydrophobicContact CB-CD1 3.94Å; A53-S69 CarbonylContact C-O 3.59Å; A53-S69 VanDerWaalsContact CA-O 3.29Å; A53-S69 WeakPolarHBondContact CA-O 3.4Å
54	S	55.9	Low	61.6	Low	29 Å²	29	74.3 Å²	74.3	20%	0.203	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130	171.1	179.8	0	0	0	0	108.1	C40 S68 S69	C40-S54 WeakPolarHBondContact O-CA 3.35Å; S54-S68 WeakPolarHBondContact CB-OG 3.09Å; S54-S68 PolarHBondContact O-N 2.96Å; S54-S68 PolarHBondContact O-OG 2.91Å; S54-S68 PolarHBondContact OG-OG 3.19Å; S54-S69 VanDerWaalsContact CB-OG 3.26Å; S54-S69 WeakPolarHBondContact CB-OG 2.99Å; S54-S69 PolarHBondContact N-O 2.85Å; S54-S69 PolarHBondContact O-N 2.97Å
55	L	61.4	Low	62.6	Low	52 Å²	52	72.7 Å²	72.7	27%	0.272	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.3	-176.4	-65.1	161.3	0	0	0	107.2	S39 C40 V65 I66 L67	S39-L55 CarbonylContact C-O 3.49Å; S39-L55 WeakPolarHBondContact CA-O 3.14Å; S39-L55 WeakPolarHBondContact CB-O 3.24Å; C40-L55 PolarHBondContact N-O 3.47Å; C40-L55 PolarHBondContact O-N 3.46Å; L55-V65 HydrophobicContact CB-CG1 3.71Å; L55-V65 HydrophobicContact CD2-CG1 3.75Å; L55-V65 HydrophobicContact CG-CG1 4.25Å; L55-I66 CarbonylContact C-O 3.58Å; L55-I66 WeakPolarHBondContact CA-O 3Å; L55-L67 HydrophobicContact CD2-CB 4.45Å; L55-L67 HydrophobicContact CD2-CD1 3.85Å
56	C	65.2	Low	63.7	Low	35 Å²	35	72.6 Å²	72.6	24%	0.236	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.7	168.9	53.8	0	0	0	0	110.6	E38 V65 I66	E38-C56 CarbonylContact O-C 3.57Å; E38-C56 WeakPolarHBondContact O-CA 3.45Å; C56-V65 CarbonylContact O-C 3.58Å; C56-V65 VanDerWaalsContact O-CA 3.31Å; C56-V65 WeakPolarHBondContact O-CA 3.5Å; C56-V65 WeakPolarHBondContact O-CG1 3.47Å; C56-I66 PolarHBondContact N-O 3.16Å; C56-I66 PolarHBondContact O-N 3.32Å
57	L	69.4	Low	64.9	Low	87 Å²	87	75 Å²	75	46%	0.455	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	136.5	169.6	-69.3	177.8	0	0	0	108.9	I37 E38 P59 V65	I37-L57 WeakPolarHBondContact O-CD1 3.38Å; E38-L57 PolarHBondContact O-N 3.12Å; L57-P59 WeakPolarHBondContact O-CD 3.45Å; L57-V65 HydrophobicContact CD2-CG2 4.34Å
58	D	74.3	Confident	65.9	Low	34 Å²	34	75.8 Å²	75.8	18%	0.182	41%	0.406	C	S	.	.			trans	-67.9	121.2	174.7	-179.2	-16.1	0	0	0	109.2	D60 N61 S64 I66	D58-D60 PolarHBondContact O-N 2.84Å; D58-D60 PolarHBondContact OD1-N 2.72Å; D58-N61 WeakPolarHBondContact CB-O 3.36Å; D58-N61 CarbonylContact O-C 3.38Å; D58-N61 PolarHBondContact O-N 3.1Å; D58-N61 PolarHBondContact OD1-N 3.31Å; D58-S64 WeakPolarHBondContact CB-O 3.08Å; D58-S64 WeakPolarHBondContact CB-OG 3.4Å; D58-S64 VanDerWaalsContact CG-OG 3.23Å; D58-S64 PolarHBondContact N-O 2.84Å; D58-S64 PolarHBondContact OD2-OG 3.31Å; D58-I66 HydrophobicContact CB-CD1 4.04Å; D58-I66 HydrophobicContact CB-CG1 3.98Å
59	P	73.5	Confident	66.3	Low	108 Å²	108	73.7 Å²	73.7	70%	0.701	40%	0.399	S	S	*	.	S	Bend	trans	-65	-27.6	-178.2	26.7	-33.9	0	0	0	112.7	L57	L57-P59 WeakPolarHBondContact O-CD 3.45Å
60	D	79.9	Confident	67.4	Low	156 Å²	156	76.7 Å²	76.7	83%	0.834	41%	0.41	S	S	*	.	S	Bend	trans	-89.3	-24.5	-177.5	-63.8	-37.9	0	0	0	112	D58	D58-D60 PolarHBondContact O-N 2.84Å; D58-D60 PolarHBondContact OD1-N 2.72Å
61	N	78.6	Confident	67.6	Low	73 Å²	73	79 Å²	79	39%	0.39	42%	0.422	S	S	.	.			trans	-138.7	101.3	179.8	173.9	13.4	0	0	0	111.6	D58 N63 S64	D58-N61 WeakPolarHBondContact CB-O 3.36Å; D58-N61 CarbonylContact O-C 3.38Å; D58-N61 PolarHBondContact O-N 3.1Å; D58-N61 PolarHBondContact OD1-N 3.31Å; N61-N63 PolarHBondContact O-N 3.34Å; N61-N63 WeakPolarHBondContact OD1-CB 3.32Å; N61-N63 PolarHBondContact OD1-N 2.87Å; N61-S64 WeakPolarHBondContact CB-OG 3.35Å; N61-S64 PolarHBondContact ND2-OG 3.48Å; N61-S64 VanDerWaalsContact ND2-OG 3.08Å; N61-S64 PolarHBondContact O-N 3.43Å; N61-S64 PolarHBondContact O-OG 2.89Å
62	K	68.9	Low	68.1	Low	190 Å²	190	78.6 Å²	78.6	83%	0.826	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-8.7	179.8	-63.9	-174.1	178.1	-177.6	0	115.2
63	N	71.8	Confident	67.7	Low	158 Å²	158	78.6 Å²	78.6	85%	0.845	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	1.5	176.1	-61.8	-33.9	0	0	0	113.5	N61	N61-N63 PolarHBondContact O-N 3.34Å; N61-N63 WeakPolarHBondContact OD1-CB 3.32Å; N61-N63 PolarHBondContact OD1-N 2.87Å
64	S	69.4	Low	67.4	Low	30 Å²	30	82.9 Å²	82.9	21%	0.21	45%	0.45	C	S	.	.			trans	-112.2	156.5	173.1	39.7	0	0	0	0	112.3	D58 N61	D58-S64 WeakPolarHBondContact CB-O 3.08Å; D58-S64 WeakPolarHBondContact CB-OG 3.4Å; D58-S64 VanDerWaalsContact CG-OG 3.23Å; D58-S64 PolarHBondContact N-O 2.84Å; D58-S64 PolarHBondContact OD2-OG 3.31Å; N61-S64 WeakPolarHBondContact CB-OG 3.35Å; N61-S64 PolarHBondContact ND2-OG 3.48Å; N61-S64 VanDerWaalsContact ND2-OG 3.08Å; N61-S64 PolarHBondContact O-N 3.43Å; N61-S64 PolarHBondContact O-OG 2.89Å
65	V	74	Confident	67	Low	87 Å²	87	83 Å²	83	53%	0.527	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.4	177.2	-177.5	0	0	0	0	107.1	L55 C56 L57	L55-V65 HydrophobicContact CB-CG1 3.71Å; L55-V65 HydrophobicContact CD2-CG1 3.75Å; L55-V65 HydrophobicContact CG-CG1 4.25Å; C56-V65 CarbonylContact O-C 3.58Å; C56-V65 VanDerWaalsContact O-CA 3.31Å; C56-V65 WeakPolarHBondContact O-CA 3.5Å; C56-V65 WeakPolarHBondContact O-CG1 3.47Å; L57-V65 HydrophobicContact CD2-CG2 4.34Å
66	I	74.3	Confident	66.2	Low	74 Å²	74	88.3 Å²	88.3	38%	0.379	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.2	175.5	-60.5	170.1	0	0	0	107.8	L55 C56 D58 S68	L55-I66 CarbonylContact C-O 3.58Å; L55-I66 WeakPolarHBondContact CA-O 3Å; C56-I66 PolarHBondContact N-O 3.16Å; C56-I66 PolarHBondContact O-N 3.32Å; D58-I66 HydrophobicContact CB-CD1 4.04Å; D58-I66 HydrophobicContact CB-CG1 3.98Å; I66-S68 PolarHBondContact O-N 3.21Å
67	L	79.1	Confident	65.1	Low	101 Å²	101	88.9 Å²	88.9	53%	0.529	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	99.6	168	-179.2	69.4	0	0	0	108.5	A53 L55 W70	A53-L67 HydrophobicContact CB-CD1 3.94Å; L55-L67 HydrophobicContact CD2-CB 4.45Å; L55-L67 HydrophobicContact CD2-CD1 3.85Å; L67-W70 HydrophobicContact CD1-CB 4.23Å; L67-W70 HydrophobicContact CD2-CB 4.02Å; L67-W70 HydrophobicContact CG-CB 4.4Å
68	S	67.1	Low	63.6	Low	67 Å²	67	86.4 Å²	86.4	47%	0.469	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-31.8	-175.8	69.5	0	0	0	0	112.6	S54 I66	S54-S68 WeakPolarHBondContact CB-OG 3.09Å; S54-S68 PolarHBondContact O-N 2.96Å; S54-S68 PolarHBondContact O-OG 2.91Å; S54-S68 PolarHBondContact OG-OG 3.19Å; I66-S68 PolarHBondContact O-N 3.21Å
69	S	64.1	Low	61.9	Low	48 Å²	48	88 Å²	88	34%	0.336	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	143.7	174.5	67.4	0	0	0	0	110.6	A53 S54	A53-S69 CarbonylContact C-O 3.59Å; A53-S69 VanDerWaalsContact CA-O 3.29Å; A53-S69 WeakPolarHBondContact CA-O 3.4Å; S54-S69 VanDerWaalsContact CB-OG 3.26Å; S54-S69 WeakPolarHBondContact CB-OG 2.99Å; S54-S69 PolarHBondContact N-O 2.85Å; S54-S69 PolarHBondContact O-N 2.97Å
70	W	74.3	Confident	60.5	Low	179 Å²	179	85.3 Å²	85.3	68%	0.678	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	135.5	168.4	172.1	68.9	0	0	0	109	Y52 L67	Y52-W70 WeakPolarHBondContact O-CA 3.04Å; Y52-W70 VanDerWaalsContact O-CD1 3.3Å; L67-W70 HydrophobicContact CD1-CB 4.23Å; L67-W70 HydrophobicContact CD2-CB 4.02Å; L67-W70 HydrophobicContact CG-CB 4.4Å
71	N	56.2	Low	58.5	Low	56 Å²	56	86.3 Å²	86.3	30%	0.299	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	158.1	173.5	-157.2	-6.9	0	0	0	110	S51 Y52	S51-N71 WeakPolarHBondContact CA-O 3.05Å; Y52-N71 HydrophobicContact CD1-CB 4.29Å; Y52-N71 HydrophobicContact CE1-CB 3.52Å; Y52-N71 HydrophobicContact CE2-CB 4.17Å; Y52-N71 VanDerWaalsContact CZ-CB 3.42Å; Y52-N71 PolarHBondContact N-O 3.37Å; Y52-N71 PolarHBondContact O-N 3.45Å; Y52-N71 VanDerWaalsContact O-N 3.07Å; Y52-N71 WeakPolarHBondContact OH-CB 3.27Å
72	S	63	Low	56.5	Low	16 Å²	16	89.7 Å²	89.7	11%	0.112	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	110.1	174.2	-173.6	0	0	0	0	109	R49 L50 S51	R49-S72 VanDerWaalsContact CZ-OG 3.31Å; R49-S72 PolarHBondContact NE-OG 3.42Å; R49-S72 VanDerWaalsContact NH2-CB 3.31Å; R49-S72 PolarHBondContact NH2-OG 2.98Å; L50-S72 CarbonylContact O-C 3.57Å; L50-S72 VanDerWaalsContact O-CA 3.27Å; L50-S72 WeakPolarHBondContact O-CA 3.45Å; S51-S72 PolarHBondContact OG-OG 3.3Å
73	L	47.5	Very low	55.1	Low	59 Å²	59	81.9 Å²	81.9	31%	0.309	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.3	-178	-60.8	170.8	0	0	0	109	R49 L50 L75	R49-L73 CarbonylContact C-O 3.56Å; R49-L73 VanDerWaalsContact CA-O 3.31Å; R49-L73 WeakPolarHBondContact CA-O 3.44Å; L50-L73 HydrophobicContact CB-CB 4.43Å; L50-L73 HydrophobicContact CD2-CD1 4.18Å; L50-L73 PolarHBondContact N-O 2.9Å; L50-L73 PolarHBondContact O-N 3.33Å; L73-L75 PolarHBondContact O-N 2.95Å
74	P	46.8	Very low	53.8	Low	101 Å²	101	80.4 Å²	80.4	66%	0.656	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	125	169	27.1	-32.2	0	0	0	108.8
75	L	47.9	Very low	52.3	Low	32 Å²	32	81.1 Å²	81.1	17%	0.168	44%	0.436	C	S	.	.			trans	-99.4	98.4	167.6	-64.8	178.5	0	0	0	107.1	V45 D48 R49 L50 L73 L77	V45-L75 HydrophobicContact CG1-CD1 4.25Å; D48-L75 CarbonylContact C-O 3.39Å; D48-L75 VanDerWaalsContact CA-O 3.22Å; D48-L75 WeakPolarHBondContact CA-O 3.44Å; D48-L75 CarbonylContact O-C 3.55Å; D48-L75 WeakPolarHBondContact O-CA 3.3Å; D48-L75 PolarHBondContact O-N 3.02Å; R49-L75 VanDerWaalsContact O-CD1 3.29Å; R49-L75 WeakPolarHBondContact O-CD1 3.28Å; L50-L75 HydrophobicContact CB-CD1 3.79Å; L50-L75 HydrophobicContact CB-CD2 4.07Å; L50-L75 HydrophobicContact CB-CG 3.9Å; L73-L75 PolarHBondContact O-N 2.95Å; L75-L77 HydrophobicContact CB-CB 4.26Å; L75-L77 HydrophobicContact CB-CD1 3.97Å; L75-L77 HydrophobicContact CB-CG 3.89Å; L75-L77 HydrophobicContact CD1-CD1 3.9Å; L75-L77 HydrophobicContact CD2-CD1 3.84Å; L75-L77 HydrophobicContact CD2-CG 4.26Å; L75-L77 HydrophobicContact CG-CD1 4.13Å; L75-L77 PolarHBondContact O-N 3.04Å
76	N	45	Very low	50.8	Low	163 Å²	163	83.4 Å²	83.4	87%	0.872	44%	0.436	S	S	*	.			trans	-75.7	55.7	161.8	-73.6	-16.5	0	0	0	109.2
77	L	42.5	Very low	49.1	Very low	47 Å²	47	84.3 Å²	84.3	25%	0.246	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-95.3	129.4	-179.6	-69.9	179.1	0	0	0	108.7	L75 S79	L75-L77 HydrophobicContact CB-CB 4.26Å; L75-L77 HydrophobicContact CB-CD1 3.97Å; L75-L77 HydrophobicContact CB-CG 3.89Å; L75-L77 HydrophobicContact CD1-CD1 3.9Å; L75-L77 HydrophobicContact CD2-CD1 3.84Å; L75-L77 HydrophobicContact CD2-CG 4.26Å; L75-L77 HydrophobicContact CG-CD1 4.13Å; L75-L77 PolarHBondContact O-N 3.04Å; L77-S79 PolarHBondContact O-N 2.71Å
78	P	37.3	Very low	47.4	Very low	36 Å²	36	80.2 Å²	80.2	23%	0.234	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-57.8	119.3	175.6	10.8	-13.9	0	0	0	108.5	E82 F83 M87	P78-E82 HydrophobicContact CB-CB 4.34Å; P78-F83 HydrophobicContact CG-CD2 4.12Å; P78-M87 HydrophobicContact CB-CE 4.41Å; P78-M87 HydrophobicContact CB-SD 4.2Å; P78-M87 HydrophobicContact CG-CE 3.82Å; P78-M87 HydrophobicContact CG-SD 3.27Å; P78-M87 WeakPolarHBondContact CG-SD 3.33Å
79	S	38.5	Very low	45.9	Very low	66 Å²	66	79.7 Å²	79.7	46%	0.462	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-95.9	155.8	179.3	64.3	0	0	0	0	109.8	L77	L77-S79 PolarHBondContact O-N 2.71Å
80	G	45.2	Very low	44.8	Very low	53 Å²	53	81.4 Å²	81.4	55%	0.546	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	69.4	-137	174.3	0	0	0	0	0	115.2	E82	G80-E82 PolarHBondContact O-N 2.79Å
81	K	36.1	Very low	43.3	Very low	177 Å²	177	75.5 Å²	75.5	77%	0.77	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-72.3	-10.9	-172.2	-70.5	-179	177.4	177.3	0	114	R84	K81-R84 PolarHBondContact O-NH1 2.91Å
82	E	37.4	Very low	42.6	Very low	143 Å²	143	73.2 Å²	73.2	67%	0.668	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-91.9	-13.8	-173.2	-61.9	-172.3	170.2	0	0	113.7	P78 G80 R84	P78-E82 HydrophobicContact CB-CB 4.34Å; G80-E82 PolarHBondContact O-N 2.79Å; E82-R84 PolarHBondContact O-N 2.97Å
83	F	40.1	Very low	41.7	Very low	26 Å²	26	74.4 Å²	74.4	11%	0.114	41%	0.405	C	S	.	.			trans	-65.6	127.1	174	-172.5	-89.6	0	0	0	110.2	P78 T273	P78-F83 HydrophobicContact CG-CD2 4.12Å; F83-T273 HydrophobicContact CD1-CG2 3.26Å; F83-T273 HydrophobicContact CE1-CG2 3.31Å; F83-T273 HydrophobicContact CG-CG2 4.1Å; F83-T273 HydrophobicContact CZ-CG2 4.2Å
84	R	43.7	Very low	41.5	Very low	128 Å²	128	75.5 Å²	75.5	48%	0.483	41%	0.412	S	S	.	.			trans	-126.5	131.1	179.9	-63.6	-93	-167.4	-98.4	1.7	109.3	K81 E82 Y86 M87	K81-R84 PolarHBondContact O-NH1 2.91Å; E82-R84 PolarHBondContact O-N 2.97Å; R84-Y86 HydrophobicContact CB-CD1 3.27Å; R84-Y86 HydrophobicContact CB-CE1 3.02Å; R84-Y86 HydrophobicContact CB-CE2 4.47Å; R84-Y86 HydrophobicContact CB-CG 4.11Å; R84-Y86 HydrophobicContact CG-CD1 4.02Å; R84-Y86 HydrophobicContact CG-CE1 3.3Å; R84-Y86 PolarHBondContact O-N 2.98Å; R84-M87 HydrophobicContact CB-CG 4.41Å; R84-M87 HydrophobicContact CB-SD 4.39Å; R84-M87 VanDerWaalsContact O-CB 3.3Å; R84-M87 WeakPolarHBondContact O-CB 3.39Å; R84-M87 PolarHBondContact O-N 3.44Å
85	P	38.3	Very low	41.3	Very low	45 Å²	45	71.2 Å²	71.2	29%	0.292	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-51.3	-27.1	178.3	-30.1	35.7	0	0	0	115.3	M87 C88 F151	P85-M87 PolarHBondContact O-N 3.07Å; P85-C88 PolarHBondContact O-N 3.13Å; P85-C88 VanDerWaalsContact O-N 3.14Å; P85-F151 HydrophobicContact CB-CE1 4.24Å; P85-F151 HydrophobicContact CG-CE1 4.49Å; P85-F151 HydrophobicContact CG-CZ 4.35Å
86	Y	42.7	Very low	41.2	Very low	135 Å²	135	70.6 Å²	70.6	53%	0.529	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-64.1	-22	175.1	74.2	-107.1	0	0	0	113.5	R84 C88 S89	R84-Y86 HydrophobicContact CB-CD1 3.27Å; R84-Y86 HydrophobicContact CB-CE1 3.02Å; R84-Y86 HydrophobicContact CB-CE2 4.47Å; R84-Y86 HydrophobicContact CB-CG 4.11Å; R84-Y86 HydrophobicContact CG-CD1 4.02Å; R84-Y86 HydrophobicContact CG-CE1 3.3Å; R84-Y86 PolarHBondContact O-N 2.98Å; Y86-C88 PolarHBondContact O-N 3.22Å; Y86-S89 WeakPolarHBondContact O-CB 3.28Å; Y86-S89 PolarHBondContact O-N 2.99Å; Y86-S89 PolarHBondContact O-OG 2.81Å
87	M	39.1	Very low	41.3	Very low	93 Å²	93	66.3 Å²	66.3	46%	0.458	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-67.4	-16.4	176.7	-67.4	172.7	146.7	0	0	112	P78 R84 P85	P78-M87 HydrophobicContact CB-CE 4.41Å; P78-M87 HydrophobicContact CB-SD 4.2Å; P78-M87 HydrophobicContact CG-CE 3.82Å; P78-M87 HydrophobicContact CG-SD 3.27Å; P78-M87 WeakPolarHBondContact CG-SD 3.33Å; R84-M87 HydrophobicContact CB-CG 4.41Å; R84-M87 HydrophobicContact CB-SD 4.39Å; R84-M87 VanDerWaalsContact O-CB 3.3Å; R84-M87 WeakPolarHBondContact O-CB 3.39Å; R84-M87 PolarHBondContact O-N 3.44Å; P85-M87 PolarHBondContact O-N 3.07Å
88	C	41.9	Very low	41.4	Very low	15 Å²	15	66.1 Å²	66.1	10%	0.101	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-94.1	5.1	173.1	-55.2	0	0	0	0	112.6	P85 Y86 S90 M91 A92 C270	P85-C88 PolarHBondContact O-N 3.13Å; P85-C88 VanDerWaalsContact O-N 3.14Å; Y86-C88 PolarHBondContact O-N 3.22Å; C88-S90 PolarHBondContact O-N 3.44Å; C88-M91 PolarHBondContact O-N 2.94Å; C88-M91 VanDerWaalsContact O-N 3.16Å; C88-A92 WeakPolarHBondContact O-CB 3.01Å; C88-A92 PolarHBondContact O-N 3.04Å; C88-C270 PolarHBondContact SG-SG 3.46Å
89	S	37.2	Very low	41.7	Very low	55 Å²	55	65 Å²	65	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-57.5	-45.4	-173.5	53.4	0	0	0	0	113.9	Y86 M91 A92 S93	Y86-S89 WeakPolarHBondContact O-CB 3.28Å; Y86-S89 PolarHBondContact O-N 2.99Å; Y86-S89 PolarHBondContact O-OG 2.81Å; S89-M91 VanDerWaalsContact C-N 3.32Å; S89-M91 PolarHBondContact O-N 3.32Å; S89-A92 PolarHBondContact O-N 3.17Å; S89-S93 WeakPolarHBondContact O-CB 3.48Å; S89-S93 PolarHBondContact O-N 2.81Å
90	S	40.4	Very low	42.1	Very low	85 Å²	85	63.3 Å²	63.3	59%	0.594	33%	0.333	S	S	*	.	H	α-helix	trans	-59.3	-43.6	177	171.5	0	0	0	0	111.5	C88 S93 N94	C88-S90 PolarHBondContact O-N 3.44Å; S90-S93 PolarHBondContact O-N 3.47Å; S90-N94 PolarHBondContact O-N 3.46Å; S90-N94 VanDerWaalsContact O-N 3.07Å
91	M	41.8	Very low	42.2	Very low	54 Å²	54	65.1 Å²	65.1	27%	0.266	33%	0.33	S	S	.	.	H	α-helix	trans	-70.9	-39.2	178.1	-164.9	64.4	72.9	0	0	112.1	C88 S89 S93 N94 C95 V263 L266	C88-M91 PolarHBondContact O-N 2.94Å; C88-M91 VanDerWaalsContact O-N 3.16Å; S89-M91 VanDerWaalsContact C-N 3.32Å; S89-M91 PolarHBondContact O-N 3.32Å; M91-S93 VanDerWaalsContact C-N 3.33Å; M91-N94 PolarHBondContact O-N 3.23Å; M91-C95 PolarHBondContact O-N 2.9Å; M91-C95 PolarHBondContact O-SG 3.46Å; M91-V263 HydrophobicContact CE-CG2 4.1Å; M91-V263 HydrophobicContact SD-CG1 4.28Å; M91-V263 HydrophobicContact SD-CG2 4.16Å; M91-L266 HydrophobicContact CB-CD2 4.25Å; M91-L266 HydrophobicContact CE-CD2 4.1Å; M91-L266 HydrophobicContact CG-CD2 4.06Å
92	A	41.9	Very low	42.6	Very low	8 Å²	8	60 Å²	60	7%	0.066	31%	0.312	C	S	.	.	H	α-helix	trans	-63.8	-39.5	175.9	0	0	0	0	0	111.6	C88 S89 C95 S96 I156	C88-A92 WeakPolarHBondContact O-CB 3.01Å; C88-A92 PolarHBondContact O-N 3.04Å; S89-A92 PolarHBondContact O-N 3.17Å; A92-C95 PolarHBondContact O-N 3.26Å; A92-S96 VanDerWaalsContact O-CB 3.28Å; A92-S96 WeakPolarHBondContact O-CB 3.24Å; A92-S96 PolarHBondContact O-N 3.43Å; A92-S96 PolarHBondContact O-OG 2.89Å; A92-I156 HydrophobicContact CB-CD1 4.38Å; A92-I156 WeakPolarHBondContact O-CD1 2.98Å
93	S	43.5	Very low	42.9	Very low	42 Å²	42	53.7 Å²	53.7	29%	0.294	28%	0.282	S	S	.	.	H	α-helix	trans	-60.3	-49.3	172.7	-175.9	0	0	0	0	111	S89 S90 M91 C95 S96 N97	S89-S93 WeakPolarHBondContact O-CB 3.48Å; S89-S93 PolarHBondContact O-N 2.81Å; S90-S93 PolarHBondContact O-N 3.47Å; M91-S93 VanDerWaalsContact C-N 3.33Å; S93-C95 PolarHBondContact O-N 3.16Å; S93-S96 PolarHBondContact O-N 3.44Å; S93-N97 WeakPolarHBondContact O-CB 3.24Å; S93-N97 VanDerWaalsContact O-CG 3.28Å; S93-N97 PolarHBondContact O-N 2.97Å; S93-N97 PolarHBondContact O-ND2 2.84Å
94	N	43.3	Very low	43	Very low	82 Å²	82	52.8 Å²	52.8	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-47.3	176.1	-73.8	-16.3	0	0	0	112.1	S90 M91 S96 N97 I98	S90-N94 PolarHBondContact O-N 3.46Å; S90-N94 VanDerWaalsContact O-N 3.07Å; M91-N94 PolarHBondContact O-N 3.23Å; N94-S96 VanDerWaalsContact C-N 3.33Å; N94-S96 PolarHBondContact O-N 3.36Å; N94-N97 PolarHBondContact O-N 2.82Å; N94-I98 WeakPolarHBondContact O-CD1 3.02Å; N94-I98 WeakPolarHBondContact O-CG1 3.29Å; N94-I98 PolarHBondContact O-N 3.25Å
95	C	44.1	Very low	43	Very low	11 Å²	11	49.9 Å²	49.9	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-41.3	178	-66.7	0	0	0	0	111.9	M91 A92 S93 I98 I99	M91-C95 PolarHBondContact O-N 2.9Å; M91-C95 PolarHBondContact O-SG 3.46Å; A92-C95 PolarHBondContact O-N 3.26Å; S93-C95 PolarHBondContact O-N 3.16Å; C95-I98 PolarHBondContact O-N 2.75Å; C95-I99 VanDerWaalsContact O-CG1 3.31Å; C95-I99 WeakPolarHBondContact O-CG1 3.44Å; C95-I99 PolarHBondContact O-N 3.42Å
96	S	44.8	Very low	43.3	Very low	18 Å²	18	51 Å²	51	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-67.5	-38	178.9	-60.1	0	0	0	0	111.9	A92 S93 N94 I98 I99 R100 I156	A92-S96 VanDerWaalsContact O-CB 3.28Å; A92-S96 WeakPolarHBondContact O-CB 3.24Å; A92-S96 PolarHBondContact O-N 3.43Å; A92-S96 PolarHBondContact O-OG 2.89Å; S93-S96 PolarHBondContact O-N 3.44Å; N94-S96 VanDerWaalsContact C-N 3.33Å; N94-S96 PolarHBondContact O-N 3.36Å; S96-I98 VanDerWaalsContact C-N 3.34Å; S96-I99 PolarHBondContact O-N 2.88Å; S96-R100 WeakPolarHBondContact O-CB 3.42Å; S96-R100 PolarHBondContact O-N 3.49Å; S96-I156 VanDerWaalsContact CB-CD1 3.49Å; S96-I156 WeakPolarHBondContact OG-CD1 3.3Å
97	N	46.8	Very low	43.2	Very low	73 Å²	73	48.4 Å²	48.4	39%	0.39	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-38.5	172.2	-72.5	-24.6	0	0	0	111.7	S93 N94 R100 N101	S93-N97 WeakPolarHBondContact O-CB 3.24Å; S93-N97 VanDerWaalsContact O-CG 3.28Å; S93-N97 PolarHBondContact O-N 2.97Å; S93-N97 PolarHBondContact O-ND2 2.84Å; N94-N97 PolarHBondContact O-N 2.82Å; N97-R100 PolarHBondContact O-N 2.74Å; N97-N101 VanDerWaalsContact O-CB 3.24Å; N97-N101 WeakPolarHBondContact O-CB 3.37Å; N97-N101 PolarHBondContact O-N 2.96Å; N97-N101 PolarHBondContact O-ND2 3.48Å
98	I	44.9	Very low	43.4	Very low	43 Å²	43	54.5 Å²	54.5	22%	0.221	30%	0.301	C	S	.	.	H	α-helix	trans	-70.6	-42	177.4	-59.6	160.3	0	0	0	110.7	N94 C95 S96 R100 N101 N102 I248	N94-I98 WeakPolarHBondContact O-CD1 3.02Å; N94-I98 WeakPolarHBondContact O-CG1 3.29Å; N94-I98 PolarHBondContact O-N 3.25Å; C95-I98 PolarHBondContact O-N 2.75Å; S96-I98 VanDerWaalsContact C-N 3.34Å; I98-R100 VanDerWaalsContact C-N 3.33Å; I98-R100 PolarHBondContact O-N 3.42Å; I98-N101 PolarHBondContact O-N 3.04Å; I98-N102 WeakPolarHBondContact CG2-ND2 3.17Å; I98-N102 WeakPolarHBondContact O-CB 3.29Å; I98-N102 PolarHBondContact O-N 3.41Å; I98-I248 HydrophobicContact CB-CG2 4.09Å; I98-I248 HydrophobicContact CG2-CB 4.16Å; I98-I248 HydrophobicContact CG2-CG1 4.21Å; I98-I248 HydrophobicContact CG2-CG2 3.5Å
99	I	44.9	Very low	43.4	Very low	13 Å²	13	54.5 Å²	54.5	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-46.1	172.5	-70.4	167	0	0	0	110	C95 S96 I103 L104 L149 I248	C95-I99 VanDerWaalsContact O-CG1 3.31Å; C95-I99 WeakPolarHBondContact O-CG1 3.44Å; C95-I99 PolarHBondContact O-N 3.42Å; S96-I99 PolarHBondContact O-N 2.88Å; I99-I103 HydrophobicContact CB-CD1 4.41Å; I99-I103 HydrophobicContact CG1-CD1 4.27Å; I99-I103 HydrophobicContact CG2-CB 4.46Å; I99-I103 HydrophobicContact CG2-CD1 4.02Å; I99-I103 WeakPolarHBondContact O-CA 3.28Å; I99-I103 WeakPolarHBondContact O-CB 3.29Å; I99-I103 PolarHBondContact O-N 3.1Å; I99-L104 PolarHBondContact O-N 3.14Å; I99-L104 VanDerWaalsContact O-N 3.14Å; I99-L149 HydrophobicContact CD1-CD2 3.63Å; I99-I248 HydrophobicContact CG1-CG2 4.46Å
100	R	46.9	Very low	43.5	Very low	30 Å²	30	54 Å²	54	11%	0.113	30%	0.303	C	S	.	.	I	π-helix	trans	-57.6	-53.4	175.8	-179.8	-169.2	174.9	93.2	25.7	111.4	S96 N97 I98 L104 C105 A111 S162 L164	S96-R100 WeakPolarHBondContact O-CB 3.42Å; S96-R100 PolarHBondContact O-N 3.49Å; N97-R100 PolarHBondContact O-N 2.74Å; I98-R100 VanDerWaalsContact C-N 3.33Å; I98-R100 PolarHBondContact O-N 3.42Å; R100-L104 HydrophobicContact CB-CD1 4.35Å; R100-L104 HydrophobicContact CG-CD1 4.42Å; R100-L104 WeakPolarHBondContact O-CA 3.13Å; R100-L104 VanDerWaalsContact O-CB 3.3Å; R100-L104 WeakPolarHBondContact O-CB 3.3Å; R100-L104 PolarHBondContact O-N 3.36Å; R100-L104 VanDerWaalsContact O-N 3.14Å; R100-C105 PolarHBondContact O-N 3.14Å; R100-C105 PolarHBondContact O-SG 2.83Å; R100-C105 VanDerWaalsContact O-SG 3.35Å; R100-A111 PolarHBondContact NH2-O 2.87Å; R100-S162 PolarHBondContact NH1-O 2.82Å; R100-S162 PolarHBondContact NH1-OG 3.35Å; R100-S162 PolarHBondContact NH2-OG 3.49Å; R100-L164 HydrophobicContact CB-CD1 4.14Å; R100-L164 HydrophobicContact CG-CD1 4.23Å
101	N	47	Very low	43.4	Very low	91 Å²	91	53 Å²	53	49%	0.487	30%	0.3	S	S	.	.	I	π-helix	trans	-72.8	-36.3	-173.3	-67.1	-13.9	0	0	0	112.7	N97 I98 C105	N97-N101 VanDerWaalsContact O-CB 3.24Å; N97-N101 WeakPolarHBondContact O-CB 3.37Å; N97-N101 PolarHBondContact O-N 2.96Å; N97-N101 PolarHBondContact O-ND2 3.48Å; I98-N101 PolarHBondContact O-N 3.04Å; N101-C105 WeakPolarHBondContact O-CB 3.44Å
102	N	44.1	Very low	43.2	Very low	70 Å²	70	57.1 Å²	57.1	37%	0.374	32%	0.323	S	S	.	.	I	π-helix	trans	-100.5	-24.4	-172.4	-64.7	-12.5	0	0	0	113.7	I98 S106 I248	I98-N102 WeakPolarHBondContact CG2-ND2 3.17Å; I98-N102 WeakPolarHBondContact O-CB 3.29Å; I98-N102 PolarHBondContact O-N 3.41Å; N102-S106 WeakPolarHBondContact O-CB 3.43Å; N102-S106 PolarHBondContact O-OG 3.04Å; N102-I248 HydrophobicContact CB-CG1 4.25Å
103	I	43	Very low	43	Very low	10 Å²	10	58.8 Å²	58.8	5%	0.051	33%	0.333	C	S	.	.	I	π-helix	trans	-105.6	-49.8	177.7	-56.3	175	0	0	0	110.9	I99 S106 N107 M238 V240 L245 I248	I99-I103 HydrophobicContact CB-CD1 4.41Å; I99-I103 HydrophobicContact CG1-CD1 4.27Å; I99-I103 HydrophobicContact CG2-CB 4.46Å; I99-I103 HydrophobicContact CG2-CD1 4.02Å; I99-I103 WeakPolarHBondContact O-CA 3.28Å; I99-I103 WeakPolarHBondContact O-CB 3.29Å; I99-I103 PolarHBondContact O-N 3.1Å; I103-S106 PolarHBondContact O-OG 3.03Å; I103-S106 VanDerWaalsContact O-OG 3.06Å; I103-N107 WeakPolarHBondContact O-CB 3.3Å; I103-N107 PolarHBondContact O-N 3.26Å; I103-N107 PolarHBondContact O-ND2 3.29Å; I103-M238 HydrophobicContact CG2-SD 3.72Å; I103-V240 HydrophobicContact CD1-CG1 3.77Å; I103-V240 HydrophobicContact CD1-CG2 4.32Å; I103-V240 HydrophobicContact CG2-CG2 3.59Å; I103-L245 HydrophobicContact CD1-CD2 4.31Å; I103-I248 HydrophobicContact CD1-CD1 3.13Å; I103-I248 HydrophobicContact CG1-CD1 3.34Å
104	L	42.3	Very low	42.8	Very low	7 Å²	7	59.7 Å²	59.7	4%	0.037	33%	0.334	C	S	.	.	I	π-helix	trans	-76.9	-48.7	-172.8	-53.5	-178.2	0	0	0	111.3	I99 R100 S106 N107 L109 V115 L164 M238	I99-L104 PolarHBondContact O-N 3.14Å; I99-L104 VanDerWaalsContact O-N 3.14Å; R100-L104 HydrophobicContact CB-CD1 4.35Å; R100-L104 HydrophobicContact CG-CD1 4.42Å; R100-L104 WeakPolarHBondContact O-CA 3.13Å; R100-L104 VanDerWaalsContact O-CB 3.3Å; R100-L104 WeakPolarHBondContact O-CB 3.3Å; R100-L104 PolarHBondContact O-N 3.36Å; R100-L104 VanDerWaalsContact O-N 3.14Å; L104-S106 VanDerWaalsContact C-N 3.3Å; L104-S106 PolarHBondContact O-N 3.22Å; L104-N107 PolarHBondContact O-N 2.87Å; L104-L109 PolarHBondContact O-N 3.39Å; L104-V115 HydrophobicContact CD1-CG2 4.09Å; L104-V115 HydrophobicContact CD2-CG1 4.49Å; L104-V115 HydrophobicContact CD2-CG2 4.06Å; L104-L164 HydrophobicContact CD1-CD1 4.03Å; L104-M238 HydrophobicContact CD2-CE 3.5Å; L104-M238 VanDerWaalsContact CD2-CE 3.5Å; L104-M238 HydrophobicContact CD2-SD 3.54Å; L104-M238 VanDerWaalsContact CD2-SD 3.54Å
105	C	44.2	Very low	42.5	Very low	67 Å²	67	56 Å²	56	45%	0.453	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-67.1	-29.4	179.7	-62.2	0	0	0	0	112.9	R100 N101 N107	R100-C105 PolarHBondContact O-N 3.14Å; R100-C105 PolarHBondContact O-SG 2.83Å; R100-C105 VanDerWaalsContact O-SG 3.35Å; N101-C105 WeakPolarHBondContact O-CB 3.44Å; C105-N107 VanDerWaalsContact C-N 3.33Å
106	S	44.8	Very low	42.3	Very low	69 Å²	69	57.6 Å²	57.6	48%	0.483	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-74.3	-23.1	177.3	60.1	0	0	0	0	113.3	N102 I103 L104	N102-S106 WeakPolarHBondContact O-CB 3.43Å; N102-S106 PolarHBondContact O-OG 3.04Å; I103-S106 PolarHBondContact O-OG 3.03Å; I103-S106 VanDerWaalsContact O-OG 3.06Å; L104-S106 VanDerWaalsContact C-N 3.3Å; L104-S106 PolarHBondContact O-N 3.22Å
107	N	40.2	Very low	42.2	Very low	80 Å²	80	57.1 Å²	57.1	43%	0.428	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-96.3	20.2	178.7	-74.5	-55.1	0	0	0	113.3	I103 L104 C105 L109 M238	I103-N107 WeakPolarHBondContact O-CB 3.3Å; I103-N107 PolarHBondContact O-N 3.26Å; I103-N107 PolarHBondContact O-ND2 3.29Å; L104-N107 PolarHBondContact O-N 2.87Å; C105-N107 VanDerWaalsContact C-N 3.33Å; N107-L109 HydrophobicContact CB-CD1 3.56Å; N107-L109 PolarHBondContact O-N 3.25Å; N107-M238 HydrophobicContact CB-CG 4.48Å
108	Y	43.7	Very low	42	Very low	222 Å²	222	58 Å²	58	87%	0.871	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	20.1	-178.1	-62.1	-86.4	0	0	0	114.9	G110	Y108-G110 PolarHBondContact O-N 3.31Å; Y108-G110 VanDerWaalsContact O-N 3.14Å
109	L	41.9	Very low	41.7	Very low	14 Å²	14	56.2 Å²	56.2	7%	0.073	31%	0.307	C	S	.	.			trans	-69.7	114.5	169.2	-78.4	100.1	0	0	0	107.9	L104 N107 T113 V115 I236 M238	L104-L109 PolarHBondContact O-N 3.39Å; N107-L109 HydrophobicContact CB-CD1 3.56Å; N107-L109 PolarHBondContact O-N 3.25Å; L109-T113 HydrophobicContact CB-CG2 4.19Å; L109-T113 HydrophobicContact CD2-CG2 4.07Å; L109-V115 HydrophobicContact CD2-CG2 3.89Å; L109-I236 HydrophobicContact CD1-CG2 4.07Å; L109-I236 HydrophobicContact CD2-CD1 3.54Å; L109-I236 HydrophobicContact CD2-CG2 3.97Å; L109-I236 HydrophobicContact CG-CD1 4.1Å; L109-I236 HydrophobicContact CG-CG2 4.19Å; L109-M238 HydrophobicContact CD1-CE 3.35Å; L109-M238 HydrophobicContact CD1-CG 4.39Å; L109-M238 HydrophobicContact CD1-SD 3.77Å; L109-M238 HydrophobicContact CD2-CE 3.47Å; L109-M238 VanDerWaalsContact CD2-CE 3.47Å; L109-M238 HydrophobicContact CG-CE 4.05Å
110	G	38.8	Very low	41.5	Very low	45 Å²	45	58.7 Å²	58.7	46%	0.464	32%	0.32	S	S	.	.			trans	-51.7	149.3	-179.2	0	0	0	0	0	111.6	Y108 N112 T113	Y108-G110 PolarHBondContact O-N 3.31Å; Y108-G110 VanDerWaalsContact O-N 3.14Å; G110-N112 PolarHBondContact O-N 2.77Å; G110-T113 PolarHBondContact O-N 2.82Å; G110-T113 PolarHBondContact O-OG1 3.46Å
111	A	39.6	Very low	41	Very low	64 Å²	64	59 Å²	59	53%	0.529	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-7.5	-173.7	0	0	0	0	0	115.9	R100	R100-A111 PolarHBondContact NH2-O 2.87Å
112	N	37.1	Very low	40.4	Very low	140 Å²	140	57.1 Å²	57.1	75%	0.749	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	16.6	-177	-62	-19.6	0	0	0	113.6	G110 D114	G110-N112 PolarHBondContact O-N 2.77Å; N112-D114 PolarHBondContact O-N 3.45Å
113	T	37.9	Very low	40.1	Very low	44 Å²	44	60.1 Å²	60.1	27%	0.27	34%	0.335	S	S	.	.			trans	-75.8	112.7	173.1	44.4	0	0	0	0	110.8	L109 G110 V115	L109-T113 HydrophobicContact CB-CG2 4.19Å; L109-T113 HydrophobicContact CD2-CG2 4.07Å; G110-T113 PolarHBondContact O-N 2.82Å; G110-T113 PolarHBondContact O-OG1 3.46Å; T113-V115 PolarHBondContact O-N 3.26Å; T113-V115 VanDerWaalsContact O-N 3.16Å
114	D	38.9	Very low	39.7	Very low	60 Å²	60	65.3 Å²	65.3	32%	0.321	37%	0.372	S	S	.	.			trans	-69.7	101.7	164.1	-74.8	-45.3	0	0	0	109.2	N112 K163 V209	N112-D114 PolarHBondContact O-N 3.45Å; D114-K163 VanDerWaalsContact OD1-O 3.04Å; D114-V209 HydrophobicContact CB-CB 3.81Å; D114-V209 HydrophobicContact CB-CG2 3.57Å; D114-V209 PolarHBondContact O-N 2.81Å; D114-V209 VanDerWaalsContact O-N 3.09Å
115	V	36.8	Very low	39.2	Very low	4 Å²	4	69.8 Å²	69.8	2%	0.024	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.8	-178.9	-174.5	0	0	0	0	109.5	L104 L109 T113 L117 L206 M238	L104-V115 HydrophobicContact CD1-CG2 4.09Å; L104-V115 HydrophobicContact CD2-CG1 4.49Å; L104-V115 HydrophobicContact CD2-CG2 4.06Å; L109-V115 HydrophobicContact CD2-CG2 3.89Å; T113-V115 PolarHBondContact O-N 3.26Å; T113-V115 VanDerWaalsContact O-N 3.16Å; V115-L117 HydrophobicContact CG1-CD2 3.94Å; V115-L206 HydrophobicContact CG1-CB 3.92Å; V115-L206 HydrophobicContact CG1-CD1 4.15Å; V115-M238 HydrophobicContact CG1-CE 4.41Å
116	I	40.5	Very low	38.5	Very low	45 Å²	45	72 Å²	72	23%	0.231	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	120	163.4	-55	-177.1	0	0	0	107	R118 L207 V209 L214	I116-R118 HydrophobicContact CG2-CB 3.98Å; I116-R118 PolarHBondContact O-N 3.33Å; I116-L207 WeakPolarHBondContact CA-O 3.38Å; I116-L207 VanDerWaalsContact CB-O 3.32Å; I116-L207 WeakPolarHBondContact CB-O 3.3Å; I116-L207 PolarHBondContact N-O 2.94Å; I116-L207 PolarHBondContact O-N 3.49Å; I116-L207 VanDerWaalsContact O-O 3.07Å; I116-V209 HydrophobicContact CD1-CB 4.31Å; I116-V209 HydrophobicContact CD1-CG2 3.78Å; I116-V209 HydrophobicContact CG1-CB 4.22Å; I116-V209 HydrophobicContact CG1-CG2 3.31Å; I116-L214 HydrophobicContact CD1-CD1 3.42Å; I116-L214 VanDerWaalsContact CD1-CD1 3.42Å
117	L	42.4	Very low	37.8	Very low	9 Å²	9	72.1 Å²	72.1	5%	0.047	42%	0.417	C	S	.	.			trans	-76	66.2	171.2	-54	173.3	0	0	0	110.4	V115 L149 L206	V115-L117 HydrophobicContact CG1-CD2 3.94Å; L117-L149 HydrophobicContact CB-CB 4.12Å; L117-L149 HydrophobicContact CD1-CB 3.74Å; L117-L206 HydrophobicContact CB-CD2 4.08Å; L117-L206 HydrophobicContact CD2-CD1 3.55Å; L117-L206 HydrophobicContact CD2-CD2 3.46Å; L117-L206 VanDerWaalsContact CD2-CD2 3.46Å; L117-L206 HydrophobicContact CD2-CG 4.09Å; L117-L206 HydrophobicContact CG-CD2 4.36Å
118	R	41.5	Very low	37.5	Very low	91 Å²	91	70.2 Å²	70.2	34%	0.343	41%	0.405	S	S	.	.			trans	-92.8	121.4	177.1	-176.5	-180	179.7	179.6	-0.4	108.8	I116 I120 W179	I116-R118 HydrophobicContact CG2-CB 3.98Å; I116-R118 PolarHBondContact O-N 3.33Å; R118-I120 PolarHBondContact O-N 3.47Å; R118-W179 HydrophobicContact CG-CH2 4.32Å; R118-W179 HydrophobicContact CG-CZ2 4.24Å
119	P	40.3	Very low	36.9	Very low	5 Å²	5	64.9 Å²	64.9	3%	0.032	40%	0.395	C	S	.	.			trans	-66.4	119.2	166	27.9	-30.1	0	0	0	109	S121 V143 W179	P119-S121 PolarHBondContact O-N 2.83Å; P119-V143 HydrophobicContact CB-CB 4.45Å; P119-V143 HydrophobicContact CB-CG2 4.3Å; P119-V143 HydrophobicContact CG-CB 4.44Å; P119-V143 HydrophobicContact CG-CG1 4.42Å; P119-V143 WeakPolarHBondContact CG-O 3.27Å; P119-W179 HydrophobicContact CG-CD2 4.5Å; P119-W179 HydrophobicContact CG-CE3 3.68Å; P119-W179 HydrophobicContact CG-CH2 4.28Å; P119-W179 HydrophobicContact CG-CZ3 3.54Å
120	I	38.9	Very low	36.4	Very low	65 Å²	65	68.5 Å²	68.5	33%	0.333	42%	0.418	S	S	.	.			trans	-81	110.3	168	-54.4	-179.1	0	0	0	107.3	R118 L207	R118-I120 PolarHBondContact O-N 3.47Å; I120-L207 HydrophobicContact CD1-CD1 3.86Å; I120-L207 HydrophobicContact CD1-CD2 3.48Å; I120-L207 VanDerWaalsContact CD1-CD2 3.48Å; I120-L207 HydrophobicContact CD1-CG 3.53Å; I120-L207 HydrophobicContact CG1-CD1 4.03Å; I120-L207 HydrophobicContact CG1-CD2 4.45Å; I120-L207 HydrophobicContact CG1-CG 3.96Å
121	S	37.1	Very low	36.1	Very low	37 Å²	37	68.4 Å²	68.4	26%	0.259	41%	0.406	S	S	.	.			trans	-59.5	131.5	162.8	-178.8	0	0	0	0	107.6	P119 L123	P119-S121 PolarHBondContact O-N 2.83Å; S121-L123 PolarHBondContact O-N 3.44Å
122	P	34.5	Very low	35.8	Very low	51 Å²	51	72.9 Å²	72.9	33%	0.331	42%	0.416	S	S	.	.	S	Bend	trans	-57.6	113.8	165.3	25.6	-30.4	0	0	0	106.9	I131 V139	P122-I131 HydrophobicContact CG-CD1 4.11Å; P122-V139 HydrophobicContact CG-CG1 4.2Å; P122-V139 HydrophobicContact CG-CG2 3.95Å
123	L	37.9	Very low	35.8	Very low	133 Å²	133	74.2 Å²	74.2	70%	0.696	42%	0.423	S	S	*	.			trans	73.1	93.2	167.6	-58.9	140	0	0	0	114.9	S121 T125	S121-L123 PolarHBondContact O-N 3.44Å; L123-T125 PolarHBondContact O-N 2.87Å
124	S	33.6	Very low	36.1	Very low	119 Å²	119	77.1 Å²	77.1	83%	0.832	44%	0.437	S	S	*	.			trans	-46.9	76.5	144.2	54.4	0	0	0	0	111.9
125	T	32	Very low	36.7	Very low	101 Å²	101	76.4 Å²	76.4	62%	0.62	43%	0.433	S	S	*	.	S	Bend	trans	-154.9	121.9	156.2	37.9	0	0	0	0	106.9	L123 S127	L123-T125 PolarHBondContact O-N 2.87Å; T125-S127 PolarHBondContact O-N 3.28Å
126	S	30	Very low	37.2	Very low	114 Å²	114	79.8 Å²	79.8	80%	0.797	45%	0.45	S	S	*	.	S	Bend	trans	-8.4	109.5	158.6	49.3	0	0	0	0	114.1
127	S	30.7	Very low	37.6	Very low	71 Å²	71	82.9 Å²	82.9	50%	0.497	46%	0.459	S	S	.	.			trans	108.7	105.8	168.5	82.8	0	0	0	0	115.8	T125 T129	T125-S127 PolarHBondContact O-N 3.28Å; S127-T129 WeakPolarHBondContact CB-OG1 2.93Å; S127-T129 PolarHBondContact O-N 2.82Å; S127-T129 PolarHBondContact OG-OG1 3.4Å
128	F	33.3	Very low	37.9	Very low	41 Å²	41	86.1 Å²	86.1	18%	0.18	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	6.7	162.9	-94.3	-86.5	0	0	0	113.6	V139 H140 W179 N181	F128-V139 HydrophobicContact CE1-CG1 4.24Å; F128-H140 AromaticContact CD1-NE2 3.5Å; F128-H140 WeakPolarHBondContact CD1-NE2 3.3Å; F128-H140 AromaticContact CE1-CD2 3.4Å; F128-H140 VanDerWaalsContact CE1-CD2 3.4Å; F128-H140 WeakPolarHBondContact CE1-CD2 3.48Å; F128-H140 AromaticContact CE1-NE2 3Å; F128-H140 WeakPolarHBondContact CE1-NE2 3.18Å; F128-H140 AromaticContact CZ-CD2 3.81Å; F128-H140 AromaticContact CZ-NE2 3.53Å; F128-W179 WeakPolarHBondContact CZ-O 3.47Å; F128-N181 HydrophobicContact CD2-CB 3.31Å; F128-N181 HydrophobicContact CE2-CB 3.38Å; F128-N181 HydrophobicContact CG-CB 4.33Å; F128-N181 HydrophobicContact CZ-CB 4.44Å
129	T	31.3	Very low	38.1	Very low	110 Å²	110	82.2 Å²	82.2	68%	0.675	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-5.1	-166.2	51	0	0	0	0	114.1	S127	S127-T129 WeakPolarHBondContact CB-OG1 2.93Å; S127-T129 PolarHBondContact O-N 2.82Å; S127-T129 PolarHBondContact OG-OG1 3.4Å
130	T	30.7	Very low	38.6	Very low	89 Å²	89	82 Å²	82	55%	0.546	46%	0.457	S	S	.	.			trans	-135	29.7	-172.6	39.2	0	0	0	0	114.5	H132	T130-H132 VanDerWaalsContact C-N 3.26Å; T130-H132 PolarHBondContact O-N 2.68Å; T130-H132 VanDerWaalsContact O-N 3.07Å
131	I	32.3	Very low	39.1	Very low	43 Å²	43	79.5 Å²	79.5	22%	0.221	44%	0.444	C	S	.	.			trans	-83.9	79.3	163.7	-54.6	-178	0	0	0	108.1	P122 N133 L134 V139	P122-I131 HydrophobicContact CG-CD1 4.11Å; I131-N133 PolarHBondContact O-N 3.42Å; I131-L134 HydrophobicContact CG2-CB 3.42Å; I131-L134 VanDerWaalsContact CG2-CB 3.42Å; I131-L134 HydrophobicContact CG2-CD1 4.45Å; I131-V139 HydrophobicContact CD1-CG2 4.37Å
132	H	35.1	Very low	39.7	Very low	158 Å²	158	78.2 Å²	78.2	73%	0.731	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	3.6	-168.9	-95.7	-71.3	0	0	0	116.3	T130	T130-H132 VanDerWaalsContact C-N 3.26Å; T130-H132 PolarHBondContact O-N 2.68Å; T130-H132 VanDerWaalsContact O-N 3.07Å
133	N	37	Very low	40.5	Very low	169 Å²	169	75.9 Å²	75.9	90%	0.904	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.7	2.7	177.2	-91.4	-30.9	0	0	0	115.7	I131	I131-N133 PolarHBondContact O-N 3.42Å
134	L	44.4	Very low	41.3	Very low	105 Å²	105	69.8 Å²	69.8	55%	0.55	39%	0.389	S	S	.	.	S	Bend	trans	-112.2	122.7	173.1	-93.2	123.9	0	0	0	108.7	I131 I136	I131-L134 HydrophobicContact CG2-CB 3.42Å; I131-L134 VanDerWaalsContact CG2-CB 3.42Å; I131-L134 HydrophobicContact CG2-CD1 4.45Å; L134-I136 PolarHBondContact O-N 2.97Å
135	D	51.5	Low	42.3	Very low	45 Å²	45	66 Å²	66	24%	0.241	36%	0.358	C	S	.	.			trans	-56.7	111.2	179.7	-172.6	-8.5	0	0	0	109.9	R137 K138 V139	D135-R137 PolarHBondContact O-N 3.02Å; D135-R137 VanDerWaalsContact OD1-CB 3.24Å; D135-R137 WeakPolarHBondContact OD1-CB 3.28Å; D135-R137 WeakPolarHBondContact OD1-CG 3.44Å; D135-R137 IonicContact OD1-CZ 3.62Å; D135-R137 PolarHBondContact OD1-N 3.16Å; D135-R137 IonicContact OD1-NE 2.79Å; D135-R137 PolarHBondContact OD1-NE 3.3Å; D135-R137 IonicContact OD1-NH2 3.61Å; D135-R137 IonicContact OD2-CZ 3.18Å; D135-R137 IonicContact OD2-NE 2.9Å; D135-R137 PolarHBondContact OD2-NE 3.49Å; D135-R137 IonicContact OD2-NH2 2.69Å; D135-R137 PolarHBondContact OD2-NH2 3.46Å; D135-K138 HydrophobicContact CB-CD 4.01Å; D135-K138 HydrophobicContact CB-CG 3.98Å; D135-K138 WeakPolarHBondContact O-CA 3.39Å; D135-K138 WeakPolarHBondContact O-CB 3.36Å; D135-K138 PolarHBondContact O-N 2.78Å; D135-V139 PolarHBondContact O-N 3.08Å
136	I	47.5	Very low	43.4	Very low	74 Å²	74	61.2 Å²	61.2	38%	0.379	33%	0.329	S	S	.	.	H	α-helix	trans	-45.5	-32.1	178	-75.1	167.4	0	0	0	111.6	L134 K138 V139 H140	L134-I136 PolarHBondContact O-N 2.97Å; I136-K138 PolarHBondContact O-N 2.92Å; I136-V139 PolarHBondContact O-N 2.78Å; I136-H140 PolarHBondContact O-N 2.97Å
137	R	48.3	Very low	44.5	Very low	110 Å²	110	55.9 Å²	55.9	42%	0.415	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-43.2	175.6	-59.5	-179.9	-72.3	-166.5	-0.5	112.6	D135 Q141 Q194	D135-R137 PolarHBondContact O-N 3.02Å; D135-R137 VanDerWaalsContact OD1-CB 3.24Å; D135-R137 WeakPolarHBondContact OD1-CB 3.28Å; D135-R137 WeakPolarHBondContact OD1-CG 3.44Å; D135-R137 IonicContact OD1-CZ 3.62Å; D135-R137 PolarHBondContact OD1-N 3.16Å; D135-R137 IonicContact OD1-NE 2.79Å; D135-R137 PolarHBondContact OD1-NE 3.3Å; D135-R137 IonicContact OD1-NH2 3.61Å; D135-R137 IonicContact OD2-CZ 3.18Å; D135-R137 IonicContact OD2-NE 2.9Å; D135-R137 PolarHBondContact OD2-NE 3.49Å; D135-R137 IonicContact OD2-NH2 2.69Å; D135-R137 PolarHBondContact OD2-NH2 3.46Å; R137-Q141 WeakPolarHBondContact O-CB 3.48Å; R137-Q141 PolarHBondContact O-N 3.05Å; R137-Q141 VanDerWaalsContact O-N 3.08Å; R137-Q194 HydrophobicContact CB-CB 4.32Å; R137-Q194 HydrophobicContact CG-CB 4.22Å; R137-Q194 HydrophobicContact CG-CG 4.27Å
138	K	47.6	Very low	45.6	Very low	78 Å²	78	53.1 Å²	53.1	34%	0.339	27%	0.271	S	S	.	.	H	α-helix	trans	-67	-38.2	179.4	-64	179.6	-176.6	-175.3	0	111.5	D135 I136 Q141 A142 S200 I202	D135-K138 HydrophobicContact CB-CD 4.01Å; D135-K138 HydrophobicContact CB-CG 3.98Å; D135-K138 WeakPolarHBondContact O-CA 3.39Å; D135-K138 WeakPolarHBondContact O-CB 3.36Å; D135-K138 PolarHBondContact O-N 2.78Å; I136-K138 PolarHBondContact O-N 2.92Å; K138-Q141 PolarHBondContact O-N 2.85Å; K138-A142 PolarHBondContact O-N 3.08Å; K138-S200 WeakPolarHBondContact CE-OG 3.04Å; K138-I202 HydrophobicContact CB-CG1 4.4Å
139	V	46.5	Very low	46.5	Very low	9 Å²	9	51.7 Å²	51.7	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-50.1	-179.9	176.7	0	0	0	0	110.9	P122 F128 I131 D135 I136 Q141 A142 V143	P122-V139 HydrophobicContact CG-CG1 4.2Å; P122-V139 HydrophobicContact CG-CG2 3.95Å; F128-V139 HydrophobicContact CE1-CG1 4.24Å; I131-V139 HydrophobicContact CD1-CG2 4.37Å; D135-V139 PolarHBondContact O-N 3.08Å; I136-V139 PolarHBondContact O-N 2.78Å; V139-Q141 VanDerWaalsContact C-N 3.3Å; V139-Q141 PolarHBondContact O-N 2.91Å; V139-A142 WeakPolarHBondContact O-CB 3.4Å; V139-A142 PolarHBondContact O-N 3.13Å; V139-V143 WeakPolarHBondContact O-CG2 3.1Å; V139-V143 PolarHBondContact O-N 3.03Å
140	H	49.8	Very low	47.4	Very low	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-73.9	-26.4	179.7	-45.9	173.9	0	0	0	112	F128 I136 A142 V143 I144 T180 Y190	F128-H140 AromaticContact CD1-NE2 3.5Å; F128-H140 WeakPolarHBondContact CD1-NE2 3.3Å; F128-H140 AromaticContact CE1-CD2 3.4Å; F128-H140 VanDerWaalsContact CE1-CD2 3.4Å; F128-H140 WeakPolarHBondContact CE1-CD2 3.48Å; F128-H140 AromaticContact CE1-NE2 3Å; F128-H140 WeakPolarHBondContact CE1-NE2 3.18Å; F128-H140 AromaticContact CZ-CD2 3.81Å; F128-H140 AromaticContact CZ-NE2 3.53Å; I136-H140 PolarHBondContact O-N 2.97Å; H140-A142 VanDerWaalsContact C-N 3.28Å; H140-A142 PolarHBondContact O-N 3.34Å; H140-V143 PolarHBondContact O-N 2.67Å; H140-V143 VanDerWaalsContact O-N 3.17Å; H140-I144 WeakPolarHBondContact O-CB 3.34Å; H140-I144 VanDerWaalsContact O-CG1 3.28Å; H140-I144 WeakPolarHBondContact O-CG1 3.32Å; H140-I144 PolarHBondContact O-N 3.33Å; H140-T180 HydrophobicContact CB-CG2 4.22Å; H140-T180 PolarHBondContact CE1-O 3.01Å; H140-T180 PolarHBondContact NE2-O 3.4Å; H140-Y190 HydrophobicContact CB-CE1 3.39Å; H140-Y190 HydrophobicContact CB-CE2 4.3Å; H140-Y190 WeakPolarHBondContact CB-OH 3.2Å; H140-Y190 AromaticContact CE1-CE2 3.75Å; H140-Y190 AromaticContact CE1-CZ 3.99Å; H140-Y190 AromaticContact CG-CE1 3.96Å; H140-Y190 AromaticContact CG-CE2 3.94Å; H140-Y190 AromaticContact CG-CZ 3.38Å; H140-Y190 AromaticContact ND1-CD2 3.99Å; H140-Y190 AromaticContact ND1-CE1 3.73Å; H140-Y190 AromaticContact ND1-CE2 2.99Å; H140-Y190 WeakPolarHBondContact ND1-CE2 3.34Å; H140-Y190 AromaticContact ND1-CZ 2.91Å; H140-Y190 PolarHBondContact ND1-OH 3.48Å
141	Q	50.4	Low	48.3	Very low	13 Å²	13	44.1 Å²	44.1	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-40.5	172.6	-177.2	178.3	-6.2	0	0	110.6	R137 K138 V139 M145 M195 I202	R137-Q141 WeakPolarHBondContact O-CB 3.48Å; R137-Q141 PolarHBondContact O-N 3.05Å; R137-Q141 VanDerWaalsContact O-N 3.08Å; K138-Q141 PolarHBondContact O-N 2.85Å; V139-Q141 VanDerWaalsContact C-N 3.3Å; V139-Q141 PolarHBondContact O-N 2.91Å; Q141-M145 VanDerWaalsContact O-CB 3.29Å; Q141-M145 WeakPolarHBondContact O-CB 3.49Å; Q141-M145 PolarHBondContact O-N 2.64Å; Q141-M195 HydrophobicContact CB-CE 4.23Å; Q141-M195 HydrophobicContact CB-CG 4.12Å; Q141-M195 HydrophobicContact CG-CB 4.34Å; Q141-M195 HydrophobicContact CG-CE 3.62Å; Q141-M195 HydrophobicContact CG-CG 3.96Å; Q141-M195 PolarHBondContact NE2-O 3.29Å; Q141-M195 VanDerWaalsContact NE2-O 3.1Å; Q141-M195 WeakPolarHBondContact O-CE 3.5Å; Q141-I202 HydrophobicContact CB-CD1 3.5Å; Q141-I202 VanDerWaalsContact CB-CD1 3.5Å; Q141-I202 HydrophobicContact CG-CD1 3.23Å; Q141-I202 VanDerWaalsContact OE1-CD1 3.25Å
142	A	49.1	Very low	48.9	Very low	10 Å²	10	43.7 Å²	43.7	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-45.8	170.4	0	0	0	0	0	111.9	K138 V139 H140 M145 G146 I202	K138-A142 PolarHBondContact O-N 3.08Å; V139-A142 WeakPolarHBondContact O-CB 3.4Å; V139-A142 PolarHBondContact O-N 3.13Å; H140-A142 VanDerWaalsContact C-N 3.28Å; H140-A142 PolarHBondContact O-N 3.34Å; A142-M145 PolarHBondContact O-N 3.03Å; A142-G146 PolarHBondContact O-N 3.41Å; A142-I202 HydrophobicContact CB-CG2 3.33Å
143	V	52	Low	49.3	Very low	2 Å²	2	36.3 Å²	36.3	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-46.8	-179.7	169.6	0	0	0	0	112.5	P119 V139 H140 G146 Y147 L176 W179 T180	P119-V143 HydrophobicContact CB-CB 4.45Å; P119-V143 HydrophobicContact CB-CG2 4.3Å; P119-V143 HydrophobicContact CG-CB 4.44Å; P119-V143 HydrophobicContact CG-CG1 4.42Å; P119-V143 WeakPolarHBondContact CG-O 3.27Å; V139-V143 WeakPolarHBondContact O-CG2 3.1Å; V139-V143 PolarHBondContact O-N 3.03Å; H140-V143 PolarHBondContact O-N 2.67Å; H140-V143 VanDerWaalsContact O-N 3.17Å; V143-G146 PolarHBondContact O-N 2.77Å; V143-Y147 VanDerWaalsContact O-CB 3.27Å; V143-Y147 WeakPolarHBondContact O-CB 3.41Å; V143-Y147 PolarHBondContact O-N 3.28Å; V143-L176 HydrophobicContact CG1-CD1 3.87Å; V143-W179 HydrophobicContact CG1-CB 3.36Å; V143-W179 HydrophobicContact CG1-CD2 4.42Å; V143-W179 HydrophobicContact CG1-CE3 3.96Å; V143-W179 HydrophobicContact CG1-CG 4.28Å; V143-W179 HydrophobicContact CG2-CB 4.48Å; V143-T180 HydrophobicContact CB-CG2 4.34Å; V143-T180 HydrophobicContact CG1-CG2 3.65Å
144	I	53.6	Low	49.4	Very low	5 Å²	5	29.2 Å²	29.2	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-67.7	-42.8	-179.6	-65.7	164.6	0	0	0	109.7	H140 Y147 L148 L176 T180 Y190 L191 M195	H140-I144 WeakPolarHBondContact O-CB 3.34Å; H140-I144 VanDerWaalsContact O-CG1 3.28Å; H140-I144 WeakPolarHBondContact O-CG1 3.32Å; H140-I144 PolarHBondContact O-N 3.33Å; I144-Y147 PolarHBondContact O-N 3.27Å; I144-L148 HydrophobicContact CG2-CD1 3.84Å; I144-L148 HydrophobicContact CG2-CG 4.35Å; I144-L148 WeakPolarHBondContact O-CB 3.38Å; I144-L148 WeakPolarHBondContact O-CD1 3.48Å; I144-L148 WeakPolarHBondContact O-CG 3.31Å; I144-L148 PolarHBondContact O-N 3.41Å; I144-L176 HydrophobicContact CG1-CD1 4.31Å; I144-T180 HydrophobicContact CG1-CG2 4.24Å; I144-Y190 HydrophobicContact CD1-CD1 3.58Å; I144-Y190 HydrophobicContact CD1-CE1 3.72Å; I144-L191 HydrophobicContact CD1-CD2 3.81Å; I144-L191 HydrophobicContact CG2-CD2 4.07Å; I144-M195 HydrophobicContact CB-CE 3.68Å; I144-M195 HydrophobicContact CB-SD 3.76Å; I144-M195 HydrophobicContact CD1-CG 4.38Å; I144-M195 HydrophobicContact CD1-SD 3.71Å; I144-M195 HydrophobicContact CG1-SD 4.34Å; I144-M195 HydrophobicContact CG2-CE 3.69Å; I144-M195 HydrophobicContact CG2-SD 3.52Å; I144-M195 VanDerWaalsContact CG2-SD 3.52Å
145	M	55.2	Low	49.1	Very low	39 Å²	39	27.9 Å²	27.9	19%	0.192	14%	0.139	C	C	.	.	H	α-helix	trans	-62.6	-46.5	176.5	-169.2	64.5	74	0	0	111.8	Q141 A142 Y147 L148 L149 L245	Q141-M145 VanDerWaalsContact O-CB 3.29Å; Q141-M145 WeakPolarHBondContact O-CB 3.49Å; Q141-M145 PolarHBondContact O-N 2.64Å; A142-M145 PolarHBondContact O-N 3.03Å; M145-Y147 PolarHBondContact O-N 2.81Å; M145-L148 PolarHBondContact O-N 3.28Å; M145-L149 HydrophobicContact CG-CD1 4.35Å; M145-L149 WeakPolarHBondContact O-CB 3.32Å; M145-L149 VanDerWaalsContact O-CG 3.29Å; M145-L149 WeakPolarHBondContact O-CG 3.48Å; M145-L149 PolarHBondContact O-N 3.21Å; M145-L245 HydrophobicContact CG-CD1 3.7Å; M145-L245 HydrophobicContact SD-CD1 4.2Å
146	G	54.8	Low	48.5	Very low	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-41	176.3	0	0	0	0	0	112.6	A142 V143 L149 A150	A142-G146 PolarHBondContact O-N 3.41Å; V143-G146 PolarHBondContact O-N 2.77Å; G146-L149 PolarHBondContact O-N 2.76Å; G146-A150 WeakPolarHBondContact O-CB 3.35Å; G146-A150 PolarHBondContact O-N 2.83Å
147	Y	53.5	Low	47.8	Very low	3 Å²	3	28.5 Å²	28.5	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-43.6	173.5	178.6	-83.6	0	0	0	112.1	V143 I144 M145 A150 F151 P171 L176 W179 L278	V143-Y147 VanDerWaalsContact O-CB 3.27Å; V143-Y147 WeakPolarHBondContact O-CB 3.41Å; V143-Y147 PolarHBondContact O-N 3.28Å; I144-Y147 PolarHBondContact O-N 3.27Å; M145-Y147 PolarHBondContact O-N 2.81Å; Y147-A150 PolarHBondContact O-N 3.09Å; Y147-F151 WeakPolarHBondContact O-CB 3.19Å; Y147-F151 PolarHBondContact O-N 3.45Å; Y147-P171 HydrophobicContact CD2-CB 3.82Å; Y147-P171 HydrophobicContact CD2-CG 3.66Å; Y147-P171 HydrophobicContact CE1-CG 4.39Å; Y147-P171 HydrophobicContact CE2-CB 3.42Å; Y147-P171 VanDerWaalsContact CE2-CB 3.42Å; Y147-P171 HydrophobicContact CE2-CG 3.34Å; Y147-P171 HydrophobicContact CG-CG 4.35Å; Y147-P171 PolarHBondContact OH-O 3.31Å; Y147-L176 HydrophobicContact CD1-CD2 3.77Å; Y147-L176 HydrophobicContact CD2-CB 3.75Å; Y147-L176 HydrophobicContact CD2-CD1 3.99Å; Y147-L176 HydrophobicContact CD2-CD2 4.12Å; Y147-L176 HydrophobicContact CD2-CG 4.18Å; Y147-L176 HydrophobicContact CE1-CD2 3.84Å; Y147-L176 HydrophobicContact CE2-CB 3.59Å; Y147-L176 HydrophobicContact CE2-CD2 4.13Å; Y147-L176 HydrophobicContact CE2-CG 4.33Å; Y147-L176 HydrophobicContact CG-CB 4.37Å; Y147-L176 HydrophobicContact CG-CD1 3.92Å; Y147-L176 HydrophobicContact CG-CD2 3.91Å; Y147-L176 HydrophobicContact CG-CG 4.31Å; Y147-W179 HydrophobicContact CD2-CE3 4.29Å; Y147-W179 AromaticContact CD2-CZ3 3.96Å; Y147-W179 HydrophobicContact CD2-CZ3 3.96Å; Y147-W179 HydrophobicContact CG-CZ3 4.49Å; Y147-L278 HydrophobicContact CE1-CD1 3.99Å; Y147-L278 WeakPolarHBondContact OH-CD2 3.29Å
148	L	53.7	Low	47	Very low	13 Å²	13	30.6 Å²	30.6	7%	0.068	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-43.1	178.2	-72.8	165.2	0	0	0	111.5	I144 M145 F151 L152 L271 C274	I144-L148 HydrophobicContact CG2-CD1 3.84Å; I144-L148 HydrophobicContact CG2-CG 4.35Å; I144-L148 WeakPolarHBondContact O-CB 3.38Å; I144-L148 WeakPolarHBondContact O-CD1 3.48Å; I144-L148 WeakPolarHBondContact O-CG 3.31Å; I144-L148 PolarHBondContact O-N 3.41Å; M145-L148 PolarHBondContact O-N 3.28Å; L148-F151 PolarHBondContact O-N 3.21Å; L148-L152 WeakPolarHBondContact O-CB 3.12Å; L148-L152 VanDerWaalsContact O-CG 3.3Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 2.65Å; L148-L271 HydrophobicContact CD1-CD1 3.5Å; L148-L271 VanDerWaalsContact CD1-CD1 3.5Å; L148-L271 HydrophobicContact CD1-CG 3.69Å; L148-L271 HydrophobicContact CD2-CG 4.38Å; L148-C274 HydrophobicContact CD2-CB 4.34Å
149	L	52.7	Low	46.4	Very low	10 Å²	10	33.4 Å²	33.4	5%	0.052	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-46.2	174.3	-73.6	177.2	0	0	0	110.9	I99 L117 M145 G146 F151 L152 S153 F204 L245	I99-L149 HydrophobicContact CD1-CD2 3.63Å; L117-L149 HydrophobicContact CB-CB 4.12Å; L117-L149 HydrophobicContact CD1-CB 3.74Å; M145-L149 HydrophobicContact CG-CD1 4.35Å; M145-L149 WeakPolarHBondContact O-CB 3.32Å; M145-L149 VanDerWaalsContact O-CG 3.29Å; M145-L149 WeakPolarHBondContact O-CG 3.48Å; M145-L149 PolarHBondContact O-N 3.21Å; G146-L149 PolarHBondContact O-N 2.76Å; L149-F151 PolarHBondContact O-N 2.83Å; L149-L152 PolarHBondContact O-N 2.92Å; L149-S153 WeakPolarHBondContact O-CB 3.05Å; L149-S153 PolarHBondContact O-N 3.42Å; L149-S153 PolarHBondContact O-OG 3.33Å; L149-F204 HydrophobicContact CD1-CE2 4.15Å; L149-F204 HydrophobicContact CD1-CZ 4.05Å; L149-L245 HydrophobicContact CD1-CD2 4.39Å
150	A	50.4	Low	45.5	Very low	13 Å²	13	37.3 Å²	37.3	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-58.9	-46.2	174	0	0	0	0	0	112.2	G146 Y147 S153 S154	G146-A150 WeakPolarHBondContact O-CB 3.35Å; G146-A150 PolarHBondContact O-N 2.83Å; Y147-A150 PolarHBondContact O-N 3.09Å; A150-S153 WeakPolarHBondContact CA-OG 3.41Å; A150-S153 PolarHBondContact O-N 2.9Å; A150-S153 PolarHBondContact O-OG 2.77Å; A150-S154 PolarHBondContact O-N 3.06Å; A150-S154 VanDerWaalsContact O-N 3.1Å
151	F	48.4	Very low	44.6	Very low	27 Å²	27	43.7 Å²	43.7	12%	0.118	25%	0.25	C	S	.	.	H	α-helix	trans	-63.7	-43.3	178.9	-175.8	-79.6	0	0	0	112.9	P85 Y147 L148 L149 S153 S154 C170 C274	P85-F151 HydrophobicContact CB-CE1 4.24Å; P85-F151 HydrophobicContact CG-CE1 4.49Å; P85-F151 HydrophobicContact CG-CZ 4.35Å; Y147-F151 WeakPolarHBondContact O-CB 3.19Å; Y147-F151 PolarHBondContact O-N 3.45Å; L148-F151 PolarHBondContact O-N 3.21Å; L149-F151 PolarHBondContact O-N 2.83Å; F151-S153 PolarHBondContact O-N 3.14Å; F151-S154 PolarHBondContact O-N 2.84Å; F151-S154 PolarHBondContact O-OG 2.81Å; F151-C170 WeakPolarHBondContact CD2-SG 3.5Å; F151-C170 WeakPolarHBondContact CE2-SG 3.18Å; F151-C274 VanDerWaalsContact CE1-SG 3.59Å
152	L	45.2	Very low	43.4	Very low	34 Å²	34	45.8 Å²	45.8	18%	0.178	27%	0.267	C	S	.	.	H	α-helix	trans	-66.4	-33.9	178.4	-73.2	171.5	0	0	0	111.5	L148 L149	L148-L152 WeakPolarHBondContact O-CB 3.12Å; L148-L152 VanDerWaalsContact O-CG 3.3Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 2.65Å; L149-L152 PolarHBondContact O-N 2.92Å
153	S	44.5	Very low	42.4	Very low	4 Å²	4	51.4 Å²	51.4	3%	0.028	29%	0.289	C	S	.	.	H	α-helix	trans	-77	-24.9	-177.7	74.4	0	0	0	0	112.9	L149 A150 F151 N155 I156 I166	L149-S153 WeakPolarHBondContact O-CB 3.05Å; L149-S153 PolarHBondContact O-N 3.42Å; L149-S153 PolarHBondContact O-OG 3.33Å; A150-S153 WeakPolarHBondContact CA-OG 3.41Å; A150-S153 PolarHBondContact O-N 2.9Å; A150-S153 PolarHBondContact O-OG 2.77Å; F151-S153 PolarHBondContact O-N 3.14Å; S153-N155 PolarHBondContact O-N 3.38Å; S153-I156 PolarHBondContact O-N 3.14Å; S153-I166 VanDerWaalsContact OG-CD1 3.32Å; S153-I166 WeakPolarHBondContact OG-CD1 3.2Å; S153-I166 WeakPolarHBondContact OG-CG1 3.5Å; S153-I166 WeakPolarHBondContact OG-CG2 3.46Å
154	S	37.6	Very low	41.4	Very low	19 Å²	19	52.8 Å²	52.8	13%	0.133	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.5	177.8	67.9	0	0	0	0	115.3	A150 F151 S167	A150-S154 PolarHBondContact O-N 3.06Å; A150-S154 VanDerWaalsContact O-N 3.1Å; F151-S154 PolarHBondContact O-N 2.84Å; F151-S154 PolarHBondContact O-OG 2.81Å; S154-S167 WeakPolarHBondContact CB-O 3.45Å
155	N	39.6	Very low	40.2	Very low	78 Å²	78	54.9 Å²	54.9	42%	0.417	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3.8	180	-74.5	-34.8	0	0	0	113.7	S153	S153-N155 PolarHBondContact O-N 3.38Å
156	I	37.7	Very low	39.1	Very low	47 Å²	47	54.2 Å²	54.2	24%	0.241	31%	0.308	C	S	.	.			trans	-104.6	81.6	-176.7	-55.8	169.5	0	0	0	107.8	A92 S96 S153	A92-I156 HydrophobicContact CB-CD1 4.38Å; A92-I156 WeakPolarHBondContact O-CD1 2.98Å; S96-I156 VanDerWaalsContact CB-CD1 3.49Å; S96-I156 WeakPolarHBondContact OG-CD1 3.3Å; S153-I156 PolarHBondContact O-N 3.14Å
157	N	33.1	Very low	38.1	Very low	84 Å²	84	57.5 Å²	57.5	45%	0.449	33%	0.331	S	S	.	.			trans	-155.3	114.6	162.8	-96.3	-31.7	0	0	0	110.4
158	N	32.3	Very low	37	Very low	154 Å²	154	65.2 Å²	65.2	82%	0.824	37%	0.371	S	S	*	.	S	Bend	trans	-176.1	78.4	133.5	-89.6	-13.5	0	0	0	108.9
159	T	33.9	Very low	36.2	Very low	137 Å²	137	70.7 Å²	70.7	84%	0.84	40%	0.4	S	S	*	.	S	Bend	trans	156.9	150.3	141.8	42.4	0	0	0	0	112.1
160	P	28.7	Very low	35.7	Very low	91 Å²	91	72.9 Å²	72.9	59%	0.591	42%	0.416	S	S	*	.			trans	-121.8	94.6	-132.7	37.1	-21.5	0	0	0	112.5
161	T	29.5	Very low	35.6	Very low	134 Å²	134	73.3 Å²	73.3	82%	0.822	42%	0.417	S	S	*	.	S	Bend	trans	-151.3	112.9	151.9	41.7	0	0	0	0	107.1
162	S	26.5	Very low	35.6	Very low	58 Å²	58	74.2 Å²	74.2	41%	0.406	43%	0.43	S	S	.	.	S	Bend	trans	82.2	64.8	-174.6	87	0	0	0	0	115.6	R100 L164	R100-S162 PolarHBondContact NH1-O 2.82Å; R100-S162 PolarHBondContact NH1-OG 3.35Å; R100-S162 PolarHBondContact NH2-OG 3.49Å; S162-L164 PolarHBondContact O-N 3.44Å
163	K	28.1	Very low	35.8	Very low	128 Å²	128	75 Å²	75	56%	0.557	43%	0.434	S	S	*	.			trans	-63.7	106.6	-176.6	-71.9	179.1	177.2	178.9	0	111.3	D114 C165	D114-K163 VanDerWaalsContact OD1-O 3.04Å; K163-C165 PolarHBondContact O-N 2.87Å
164	L	31.3	Very low	36.3	Very low	30 Å²	30	80.1 Å²	80.1	16%	0.157	46%	0.457	C	S	.	.			trans	-82.9	91.2	149.3	-115.6	135.6	0	0	0	104.7	R100 L104 S162 I166	R100-L164 HydrophobicContact CB-CD1 4.14Å; R100-L164 HydrophobicContact CG-CD1 4.23Å; L104-L164 HydrophobicContact CD1-CD1 4.03Å; S162-L164 PolarHBondContact O-N 3.44Å; L164-I166 HydrophobicContact CB-CD1 4.22Å; L164-I166 HydrophobicContact CD2-CD1 3.68Å
165	C	28.5	Very low	36.9	Very low	50 Å²	50	81.1 Å²	81.1	34%	0.338	46%	0.462	S	S	.	.			trans	-88.1	111.2	176.9	-97.7	0	0	0	0	109.6	K163	K163-C165 PolarHBondContact O-N 2.87Å
166	I	31.6	Very low	37.5	Very low	24 Å²	24	77.4 Å²	77.4	12%	0.123	44%	0.443	C	S	.	.			trans	-105.2	136.7	170.6	-66.4	100.9	0	0	0	109.7	S153 L164 I168	S153-I166 VanDerWaalsContact OG-CD1 3.32Å; S153-I166 WeakPolarHBondContact OG-CD1 3.2Å; S153-I166 WeakPolarHBondContact OG-CG1 3.5Å; S153-I166 WeakPolarHBondContact OG-CG2 3.46Å; L164-I166 HydrophobicContact CB-CD1 4.22Å; L164-I166 HydrophobicContact CD2-CD1 3.68Å; I166-I168 PolarHBondContact O-N 2.95Å
167	S	32.8	Very low	38.4	Very low	70 Å²	70	77.8 Å²	77.8	49%	0.49	45%	0.445	S	S	.	.			trans	-41.6	122.8	176.6	166.8	0	0	0	0	111.6	S154 N169	S154-S167 WeakPolarHBondContact CB-O 3.45Å; S167-N169 PolarHBondContact O-N 3.42Å; S167-N169 VanDerWaalsContact O-N 3.12Å; S167-N169 WeakPolarHBondContact OG-CB 3.33Å; S167-N169 PolarHBondContact OG-N 3.3Å; S167-N169 VanDerWaalsContact OG-N 3.14Å; S167-N169 PolarHBondContact OG-O 3.24Å
168	I	31.8	Very low	39.5	Very low	165 Å²	165	81.7 Å²	81.7	85%	0.846	46%	0.457	S	S	*	.	S	Bend	trans	-57.7	-18.7	170.6	7.3	172.5	0	0	0	112.5	I166 C170	I166-I168 PolarHBondContact O-N 2.95Å; I168-C170 PolarHBondContact O-N 2.89Å; I168-C170 VanDerWaalsContact O-N 3.09Å
169	N	37.1	Very low	40.5	Very low	127 Å²	127	76.8 Å²	76.8	68%	0.679	43%	0.428	S	S	*	.	S	Bend	trans	-81.9	91.5	170.2	-58.9	-23.1	0	0	0	107.6	S167	S167-N169 PolarHBondContact O-N 3.42Å; S167-N169 VanDerWaalsContact O-N 3.12Å; S167-N169 WeakPolarHBondContact OG-CB 3.33Å; S167-N169 PolarHBondContact OG-N 3.3Å; S167-N169 VanDerWaalsContact OG-N 3.14Å; S167-N169 PolarHBondContact OG-O 3.24Å
170	C	41.1	Very low	41.4	Very low	57 Å²	57	70.3 Å²	70.3	39%	0.385	39%	0.388	S	S	.	.			trans	-39.3	125	161.1	-168.6	0	0	0	0	108.4	F151 I168 A172	F151-C170 WeakPolarHBondContact CD2-SG 3.5Å; F151-C170 WeakPolarHBondContact CE2-SG 3.18Å; I168-C170 PolarHBondContact O-N 2.89Å; I168-C170 VanDerWaalsContact O-N 3.09Å; C170-A172 PolarHBondContact O-N 3.07Å
171	P	47.4	Very low	42.8	Very low	22 Å²	22	70.8 Å²	70.8	14%	0.143	39%	0.385	C	S	.	.			trans	-58.5	121.1	-178.1	25.4	-33.8	0	0	0	107.5	Y147 T175	Y147-P171 HydrophobicContact CD2-CB 3.82Å; Y147-P171 HydrophobicContact CD2-CG 3.66Å; Y147-P171 HydrophobicContact CE1-CG 4.39Å; Y147-P171 HydrophobicContact CE2-CB 3.42Å; Y147-P171 VanDerWaalsContact CE2-CB 3.42Å; Y147-P171 HydrophobicContact CE2-CG 3.34Å; Y147-P171 HydrophobicContact CG-CG 4.35Å; Y147-P171 PolarHBondContact OH-O 3.31Å; P171-T175 HydrophobicContact CB-CG2 4.24Å
172	A	49.3	Very low	43.9	Very low	46 Å²	46	66.5 Å²	66.5	38%	0.38	36%	0.356	S	S	.	.			trans	-68.3	158	-175.4	0	0	0	0	0	110.1	C170 E174 T175	C170-A172 PolarHBondContact O-N 3.07Å; A172-E174 WeakPolarHBondContact CB-OE2 3.31Å; A172-E174 PolarHBondContact O-N 2.9Å; A172-E174 VanDerWaalsContact O-N 3.08Å; A172-T175 PolarHBondContact N-OG1 3.47Å; A172-T175 WeakPolarHBondContact O-CA 3.43Å; A172-T175 WeakPolarHBondContact O-CB 3.21Å; A172-T175 PolarHBondContact O-N 3.21Å; A172-T175 PolarHBondContact O-OG1 2.69Å
173	I	49.6	Very low	45.1	Very low	51 Å²	51	66.2 Å²	66.2	26%	0.262	35%	0.353	S	S	.	.	H	α-helix	trans	-49	-39.1	177.1	-84	167.9	0	0	0	111.1	T175 L176 I177 T184 L278	I173-T175 PolarHBondContact O-N 3.34Å; I173-L176 PolarHBondContact O-N 3.2Å; I173-L176 VanDerWaalsContact O-N 3.11Å; I173-I177 HydrophobicContact CG2-CD1 3.52Å; I173-I177 HydrophobicContact CG2-CG1 4.07Å; I173-I177 WeakPolarHBondContact O-CG1 3.18Å; I173-I177 PolarHBondContact O-N 2.79Å; I173-T184 HydrophobicContact CG2-CG2 3.69Å; I173-L278 HydrophobicContact CD1-CB 4.35Å; I173-L278 HydrophobicContact CD1-CD2 4.01Å; I173-L278 WeakPolarHBondContact CD1-O 3.33Å; I173-L278 HydrophobicContact CG1-CB 4.25Å; I173-L278 HydrophobicContact CG1-CD2 3.29Å; I173-L278 HydrophobicContact CG1-CG 4.36Å
174	E	54.5	Low	46.1	Very low	111 Å²	111	60.5 Å²	60.5	52%	0.519	33%	0.328	S	S	.	.	H	α-helix	trans	-58.5	-32.1	178.2	-59.6	78.6	-171.8	0	0	111.8	A172 K178	A172-E174 WeakPolarHBondContact CB-OE2 3.31Å; A172-E174 PolarHBondContact O-N 2.9Å; A172-E174 VanDerWaalsContact O-N 3.08Å; E174-K178 VanDerWaalsContact O-CB 3.24Å; E174-K178 WeakPolarHBondContact O-CB 3.24Å; E174-K178 WeakPolarHBondContact O-CD 3.34Å; E174-K178 WeakPolarHBondContact O-CG 3.38Å; E174-K178 PolarHBondContact O-N 2.85Å
175	T	51	Low	46.9	Very low	39 Å²	39	63.2 Å²	63.2	24%	0.239	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-46.2	177.2	-50.9	0	0	0	0	110.6	P171 A172 I173 K178 W179	P171-T175 HydrophobicContact CB-CG2 4.24Å; A172-T175 PolarHBondContact N-OG1 3.47Å; A172-T175 WeakPolarHBondContact O-CA 3.43Å; A172-T175 WeakPolarHBondContact O-CB 3.21Å; A172-T175 PolarHBondContact O-N 3.21Å; A172-T175 PolarHBondContact O-OG1 2.69Å; I173-T175 PolarHBondContact O-N 3.34Å; T175-K178 WeakPolarHBondContact O-CB 3.22Å; T175-K178 PolarHBondContact O-N 3.1Å; T175-W179 HydrophobicContact CG2-CD2 3.97Å; T175-W179 VanDerWaalsContact CG2-CE2 3.4Å; T175-W179 HydrophobicContact CG2-CE3 4.42Å; T175-W179 HydrophobicContact CG2-CH2 3.94Å; T175-W179 HydrophobicContact CG2-CZ2 3.4Å; T175-W179 HydrophobicContact CG2-CZ3 4.41Å; T175-W179 WeakPolarHBondContact O-CB 3.24Å; T175-W179 VanDerWaalsContact O-CD1 3.29Å; T175-W179 PolarHBondContact O-N 3.14Å
176	L	52.6	Low	47.9	Very low	1 Å²	1	68.2 Å²	68.2	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-73.1	-34.5	179.3	-173.8	55.8	0	0	0	112	V143 I144 Y147 I173 W179 T180 W187 L278	V143-L176 HydrophobicContact CG1-CD1 3.87Å; I144-L176 HydrophobicContact CG1-CD1 4.31Å; Y147-L176 HydrophobicContact CD1-CD2 3.77Å; Y147-L176 HydrophobicContact CD2-CB 3.75Å; Y147-L176 HydrophobicContact CD2-CD1 3.99Å; Y147-L176 HydrophobicContact CD2-CD2 4.12Å; Y147-L176 HydrophobicContact CD2-CG 4.18Å; Y147-L176 HydrophobicContact CE1-CD2 3.84Å; Y147-L176 HydrophobicContact CE2-CB 3.59Å; Y147-L176 HydrophobicContact CE2-CD2 4.13Å; Y147-L176 HydrophobicContact CE2-CG 4.33Å; Y147-L176 HydrophobicContact CG-CB 4.37Å; Y147-L176 HydrophobicContact CG-CD1 3.92Å; Y147-L176 HydrophobicContact CG-CD2 3.91Å; Y147-L176 HydrophobicContact CG-CG 4.31Å; I173-L176 PolarHBondContact O-N 3.2Å; I173-L176 VanDerWaalsContact O-N 3.11Å; L176-W179 PolarHBondContact O-N 2.95Å; L176-T180 HydrophobicContact CD1-CG2 3.82Å; L176-T180 HydrophobicContact CG-CG2 4.42Å; L176-T180 WeakPolarHBondContact O-CB 3.38Å; L176-T180 WeakPolarHBondContact O-CG2 3.45Å; L176-T180 PolarHBondContact O-N 2.87Å; L176-T180 PolarHBondContact O-OG1 2.94Å; L176-W187 HydrophobicContact CB-CH2 3.52Å; L176-W187 HydrophobicContact CB-CZ2 3.93Å; L176-W187 HydrophobicContact CB-CZ3 4.42Å; L176-W187 HydrophobicContact CD2-CE3 4.01Å; L176-W187 HydrophobicContact CD2-CH2 3.09Å; L176-W187 HydrophobicContact CD2-CZ2 3.89Å; L176-W187 HydrophobicContact CD2-CZ3 3.14Å; L176-W187 HydrophobicContact CG-CH2 3.21Å; L176-W187 HydrophobicContact CG-CZ2 3.54Å; L176-W187 HydrophobicContact CG-CZ3 3.81Å; L176-L278 HydrophobicContact CD2-CD1 4.45Å
177	I	55.4	Low	48.8	Very low	55 Å²	55	67.3 Å²	67.3	28%	0.282	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-47.2	168.8	-65.5	171.6	0	0	0	109.9	I173 W179 T180 N181 T184 W187	I173-I177 HydrophobicContact CG2-CD1 3.52Å; I173-I177 HydrophobicContact CG2-CG1 4.07Å; I173-I177 WeakPolarHBondContact O-CG1 3.18Å; I173-I177 PolarHBondContact O-N 2.79Å; I177-W179 VanDerWaalsContact C-N 3.31Å; I177-W179 PolarHBondContact O-N 3.18Å; I177-T180 PolarHBondContact O-N 3.29Å; I177-N181 WeakPolarHBondContact O-CA 3.18Å; I177-N181 PolarHBondContact O-N 3.25Å; I177-T184 HydrophobicContact CD1-CG2 3.95Å; I177-T184 HydrophobicContact CG1-CG2 4.03Å; I177-W187 HydrophobicContact CG1-CZ2 3.91Å
178	K	57	Low	49.1	Very low	165 Å²	165	66.4 Å²	66.4	72%	0.717	34%	0.342	S	S	*	.	H	α-helix	trans	-60.4	-39.5	177.6	-79.8	170.7	-176.6	-179	0	112.1	E174 T175	E174-K178 VanDerWaalsContact O-CB 3.24Å; E174-K178 WeakPolarHBondContact O-CB 3.24Å; E174-K178 WeakPolarHBondContact O-CD 3.34Å; E174-K178 WeakPolarHBondContact O-CG 3.38Å; E174-K178 PolarHBondContact O-N 2.85Å; T175-K178 WeakPolarHBondContact O-CB 3.22Å; T175-K178 PolarHBondContact O-N 3.1Å
179	W	53.7	Low	49.8	Very low	52 Å²	52	62.3 Å²	62.3	20%	0.197	32%	0.324	C	S	.	.	H	α-helix	trans	-77.4	-35.5	-177.6	-64.4	-9.4	0	0	0	113.6	R118 P119 F128 V143 Y147 T175 L176 I177	R118-W179 HydrophobicContact CG-CH2 4.32Å; R118-W179 HydrophobicContact CG-CZ2 4.24Å; P119-W179 HydrophobicContact CG-CD2 4.5Å; P119-W179 HydrophobicContact CG-CE3 3.68Å; P119-W179 HydrophobicContact CG-CH2 4.28Å; P119-W179 HydrophobicContact CG-CZ3 3.54Å; F128-W179 WeakPolarHBondContact CZ-O 3.47Å; V143-W179 HydrophobicContact CG1-CB 3.36Å; V143-W179 HydrophobicContact CG1-CD2 4.42Å; V143-W179 HydrophobicContact CG1-CE3 3.96Å; V143-W179 HydrophobicContact CG1-CG 4.28Å; V143-W179 HydrophobicContact CG2-CB 4.48Å; Y147-W179 HydrophobicContact CD2-CE3 4.29Å; Y147-W179 AromaticContact CD2-CZ3 3.96Å; Y147-W179 HydrophobicContact CD2-CZ3 3.96Å; Y147-W179 HydrophobicContact CG-CZ3 4.49Å; T175-W179 HydrophobicContact CG2-CD2 3.97Å; T175-W179 VanDerWaalsContact CG2-CE2 3.4Å; T175-W179 HydrophobicContact CG2-CE3 4.42Å; T175-W179 HydrophobicContact CG2-CH2 3.94Å; T175-W179 HydrophobicContact CG2-CZ2 3.4Å; T175-W179 HydrophobicContact CG2-CZ3 4.41Å; T175-W179 WeakPolarHBondContact O-CB 3.24Å; T175-W179 VanDerWaalsContact O-CD1 3.29Å; T175-W179 PolarHBondContact O-N 3.14Å; L176-W179 PolarHBondContact O-N 2.95Å; I177-W179 VanDerWaalsContact C-N 3.31Å; I177-W179 PolarHBondContact O-N 3.18Å
180	T	52.4	Low	50.3	Low	1 Å²	1	56.7 Å²	56.7	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-92	-16	-179.6	59.1	0	0	0	0	113	H140 V143 I144 L176 I177 Q182	H140-T180 HydrophobicContact CB-CG2 4.22Å; H140-T180 PolarHBondContact CE1-O 3.01Å; H140-T180 PolarHBondContact NE2-O 3.4Å; V143-T180 HydrophobicContact CB-CG2 4.34Å; V143-T180 HydrophobicContact CG1-CG2 3.65Å; I144-T180 HydrophobicContact CG1-CG2 4.24Å; L176-T180 HydrophobicContact CD1-CG2 3.82Å; L176-T180 HydrophobicContact CG-CG2 4.42Å; L176-T180 WeakPolarHBondContact O-CB 3.38Å; L176-T180 WeakPolarHBondContact O-CG2 3.45Å; L176-T180 PolarHBondContact O-N 2.87Å; L176-T180 PolarHBondContact O-OG1 2.94Å; I177-T180 PolarHBondContact O-N 3.29Å; T180-Q182 WeakPolarHBondContact O-CG 3.35Å; T180-Q182 PolarHBondContact O-N 2.8Å; T180-Q182 PolarHBondContact OG1-N 3.45Å
181	N	56.7	Low	50.5	Low	101 Å²	101	54.3 Å²	54.3	54%	0.54	28%	0.277	S	S	.	.			trans	48.6	28.2	-166.1	-161.6	35.6	0	0	0	112.6	F128 I177	F128-N181 HydrophobicContact CD2-CB 3.31Å; F128-N181 HydrophobicContact CE2-CB 3.38Å; F128-N181 HydrophobicContact CG-CB 4.33Å; F128-N181 HydrophobicContact CZ-CB 4.44Å; I177-N181 WeakPolarHBondContact O-CA 3.18Å; I177-N181 PolarHBondContact O-N 3.25Å
182	Q	52.6	Low	50.3	Low	43 Å²	43	56.2 Å²	56.2	20%	0.201	29%	0.291	C	S	.	.			trans	-115.1	130.9	178	-67.4	-56.4	-46.3	0	0	109.8	T180 W187 Y190	T180-Q182 WeakPolarHBondContact O-CG 3.35Å; T180-Q182 PolarHBondContact O-N 2.8Å; T180-Q182 PolarHBondContact OG1-N 3.45Å; Q182-W187 PolarHBondContact O-NE1 3.43Å; Q182-Y190 HydrophobicContact CG-CD2 4.1Å; Q182-Y190 HydrophobicContact CG-CE2 4.28Å
183	P	53.5	Low	50.1	Low	53 Å²	53	57.2 Å²	57.2	34%	0.344	29%	0.288	S	S	.	.			trans	-67.3	147.1	171.2	30.6	-35	0	0	0	110.1	N185 R186 W187	P183-N185 VanDerWaalsContact CB-OD1 3.29Å; P183-N185 WeakPolarHBondContact CB-OD1 3.45Å; P183-N185 VanDerWaalsContact CG-OD1 3.24Å; P183-N185 WeakPolarHBondContact CG-OD1 3.35Å; P183-N185 PolarHBondContact O-N 3.4Å; P183-N185 VanDerWaalsContact O-N 3.15Å; P183-R186 HydrophobicContact CG-CB 4.43Å; P183-R186 HydrophobicContact CG-CG 4.07Å; P183-R186 PolarHBondContact O-N 2.87Å; P183-W187 PolarHBondContact O-NE1 3.48Å
184	T	48.5	Very low	49.9	Very low	7 Å²	7	57.6 Å²	57.6	4%	0.043	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-55.1	-35.1	-175.8	47.4	0	0	0	0	113.4	I173 I177 R186 W187 L279	I173-T184 HydrophobicContact CG2-CG2 3.69Å; I177-T184 HydrophobicContact CD1-CG2 3.95Å; I177-T184 HydrophobicContact CG1-CG2 4.03Å; T184-R186 PolarHBondContact O-N 3.46Å; T184-R186 VanDerWaalsContact O-N 3.13Å; T184-W187 HydrophobicContact CG2-CD2 4.41Å; T184-W187 HydrophobicContact CG2-CH2 3.88Å; T184-W187 HydrophobicContact CG2-CZ2 3.84Å; T184-W187 HydrophobicContact CG2-CZ3 4.28Å; T184-W187 VanDerWaalsContact O-CB 3.3Å; T184-W187 WeakPolarHBondContact O-CB 3.39Å; T184-W187 PolarHBondContact O-N 3.48Å; T184-L279 WeakPolarHBondContact O-CD2 3.1Å
185	N	47.7	Very low	49.3	Very low	87 Å²	87	52.7 Å²	52.7	47%	0.465	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-63.2	-17.5	177.7	66.5	-12.2	0	0	0	114.7	P183	P183-N185 VanDerWaalsContact CB-OD1 3.29Å; P183-N185 WeakPolarHBondContact CB-OD1 3.45Å; P183-N185 VanDerWaalsContact CG-OD1 3.24Å; P183-N185 WeakPolarHBondContact CG-OD1 3.35Å; P183-N185 PolarHBondContact O-N 3.4Å; P183-N185 VanDerWaalsContact O-N 3.15Å
186	R	50.2	Low	48.9	Very low	156 Å²	156	56.4 Å²	56.4	59%	0.589	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-92.6	-8.1	174.4	-71.2	-172.6	175.2	-173.9	-1.1	112.9	P183 T184 T188 T189 Y190	P183-R186 HydrophobicContact CG-CB 4.43Å; P183-R186 HydrophobicContact CG-CG 4.07Å; P183-R186 PolarHBondContact O-N 2.87Å; T184-R186 PolarHBondContact O-N 3.46Å; T184-R186 VanDerWaalsContact O-N 3.13Å; R186-T188 PolarHBondContact O-N 3.42Å; R186-T189 PolarHBondContact O-N 2.94Å; R186-Y190 VanDerWaalsContact O-CB 3.28Å; R186-Y190 WeakPolarHBondContact O-CB 2.92Å; R186-Y190 PolarHBondContact O-N 2.88Å
187	W	50.2	Low	48.4	Very low	4 Å²	4	61.2 Å²	61.2	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-71.4	-33.3	-169	-71.2	14.3	0	0	0	113.5	L176 I177 Q182 P183 T184 T189 Y190 L191 M275 L278	L176-W187 HydrophobicContact CB-CH2 3.52Å; L176-W187 HydrophobicContact CB-CZ2 3.93Å; L176-W187 HydrophobicContact CB-CZ3 4.42Å; L176-W187 HydrophobicContact CD2-CE3 4.01Å; L176-W187 HydrophobicContact CD2-CH2 3.09Å; L176-W187 HydrophobicContact CD2-CZ2 3.89Å; L176-W187 HydrophobicContact CD2-CZ3 3.14Å; L176-W187 HydrophobicContact CG-CH2 3.21Å; L176-W187 HydrophobicContact CG-CZ2 3.54Å; L176-W187 HydrophobicContact CG-CZ3 3.81Å; I177-W187 HydrophobicContact CG1-CZ2 3.91Å; Q182-W187 PolarHBondContact O-NE1 3.43Å; P183-W187 PolarHBondContact O-NE1 3.48Å; T184-W187 HydrophobicContact CG2-CD2 4.41Å; T184-W187 HydrophobicContact CG2-CH2 3.88Å; T184-W187 HydrophobicContact CG2-CZ2 3.84Å; T184-W187 HydrophobicContact CG2-CZ3 4.28Å; T184-W187 VanDerWaalsContact O-CB 3.3Å; T184-W187 WeakPolarHBondContact O-CB 3.39Å; T184-W187 PolarHBondContact O-N 3.48Å; W187-T189 VanDerWaalsContact C-N 3.33Å; W187-T189 PolarHBondContact O-N 3.48Å; W187-Y190 CarbonylContact O-C 3.49Å; W187-Y190 WeakPolarHBondContact O-CA 3.35Å; W187-Y190 VanDerWaalsContact O-CB 3.31Å; W187-Y190 WeakPolarHBondContact O-CB 3.29Å; W187-Y190 PolarHBondContact O-N 3.45Å; W187-Y190 VanDerWaalsContact O-N 3.13Å; W187-L191 WeakPolarHBondContact O-CB 3.4Å; W187-L191 VanDerWaalsContact O-CG 3.32Å; W187-L191 WeakPolarHBondContact O-CG 3.14Å; W187-L191 PolarHBondContact O-N 3.47Å; W187-M275 HydrophobicContact CB-CE 3.65Å; W187-M275 HydrophobicContact CE3-CE 3.83Å; W187-M275 HydrophobicContact CE3-SD 3.92Å; W187-M275 HydrophobicContact CZ3-SD 4.49Å; W187-L278 HydrophobicContact CZ3-CB 4.2Å; W187-L278 HydrophobicContact CZ3-CD1 4.07Å
188	T	38	Very low	47.7	Very low	52 Å²	52	62 Å²	62	32%	0.319	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-46.2	174.1	46.1	0	0	0	0	110.9	R186 Y190 S192 L279 Y283	R186-T188 PolarHBondContact O-N 3.42Å; T188-Y190 VanDerWaalsContact C-N 3.33Å; T188-S192 VanDerWaalsContact O-CB 3.32Å; T188-S192 WeakPolarHBondContact O-CB 3.49Å; T188-S192 PolarHBondContact O-N 2.89Å; T188-S192 VanDerWaalsContact O-N 3.08Å; T188-S192 PolarHBondContact O-OG 2.64Å; T188-L279 HydrophobicContact CG2-CD1 3.6Å; T188-Y283 PolarHBondContact OG1-OH 2.91Å
189	T	47.6	Very low	46.9	Very low	78 Å²	78	62.3 Å²	62.3	48%	0.479	31%	0.308	S	S	.	.	H	α-helix	trans	-63.7	-40.2	171.9	-46.2	0	0	0	0	111.3	R186 W187 S192 H193	R186-T189 PolarHBondContact O-N 2.94Å; W187-T189 VanDerWaalsContact C-N 3.33Å; W187-T189 PolarHBondContact O-N 3.48Å; T189-S192 PolarHBondContact O-OG 3.17Å; T189-H193 VanDerWaalsContact O-CB 3.22Å; T189-H193 WeakPolarHBondContact O-CB 3.22Å; T189-H193 PolarHBondContact O-CD2 3.31Å; T189-H193 PolarHBondContact O-N 2.94Å
190	Y	47.5	Very low	46.3	Very low	10 Å²	10	61.2 Å²	61.2	4%	0.039	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-51.2	179	-163.2	-87.7	0	0	0	112.1	H140 I144 Q182 R186 W187 T188 Q194	H140-Y190 HydrophobicContact CB-CE1 3.39Å; H140-Y190 HydrophobicContact CB-CE2 4.3Å; H140-Y190 WeakPolarHBondContact CB-OH 3.2Å; H140-Y190 AromaticContact CE1-CE2 3.75Å; H140-Y190 AromaticContact CE1-CZ 3.99Å; H140-Y190 AromaticContact CG-CE1 3.96Å; H140-Y190 AromaticContact CG-CE2 3.94Å; H140-Y190 AromaticContact CG-CZ 3.38Å; H140-Y190 AromaticContact ND1-CD2 3.99Å; H140-Y190 AromaticContact ND1-CE1 3.73Å; H140-Y190 AromaticContact ND1-CE2 2.99Å; H140-Y190 WeakPolarHBondContact ND1-CE2 3.34Å; H140-Y190 AromaticContact ND1-CZ 2.91Å; H140-Y190 PolarHBondContact ND1-OH 3.48Å; I144-Y190 HydrophobicContact CD1-CD1 3.58Å; I144-Y190 HydrophobicContact CD1-CE1 3.72Å; Q182-Y190 HydrophobicContact CG-CD2 4.1Å; Q182-Y190 HydrophobicContact CG-CE2 4.28Å; R186-Y190 VanDerWaalsContact O-CB 3.28Å; R186-Y190 WeakPolarHBondContact O-CB 2.92Å; R186-Y190 PolarHBondContact O-N 2.88Å; W187-Y190 CarbonylContact O-C 3.49Å; W187-Y190 WeakPolarHBondContact O-CA 3.35Å; W187-Y190 VanDerWaalsContact O-CB 3.31Å; W187-Y190 WeakPolarHBondContact O-CB 3.29Å; W187-Y190 PolarHBondContact O-N 3.45Å; W187-Y190 VanDerWaalsContact O-N 3.13Å; T188-Y190 VanDerWaalsContact C-N 3.33Å; Y190-Q194 HydrophobicContact CE1-CB 4.42Å; Y190-Q194 VanDerWaalsContact CE2-CD 3.48Å; Y190-Q194 WeakPolarHBondContact O-CA 3.43Å; Y190-Q194 WeakPolarHBondContact O-CB 3.43Å; Y190-Q194 WeakPolarHBondContact O-CG 3.25Å; Y190-Q194 PolarHBondContact O-N 3.04Å; Y190-Q194 PolarHBondContact OH-OE1 3.35Å
191	L	45.7	Very low	45.7	Very low	6 Å²	6	64.9 Å²	64.9	3%	0.031	33%	0.328	C	S	.	.	I	π-helix	trans	-64.1	-51.7	178.6	-68.9	-169.1	0	0	0	112.3	I144 W187 H193 M195 F196 L271 M275	I144-L191 HydrophobicContact CD1-CD2 3.81Å; I144-L191 HydrophobicContact CG2-CD2 4.07Å; W187-L191 WeakPolarHBondContact O-CB 3.4Å; W187-L191 VanDerWaalsContact O-CG 3.32Å; W187-L191 WeakPolarHBondContact O-CG 3.14Å; W187-L191 PolarHBondContact O-N 3.47Å; L191-H193 PolarHBondContact O-N 3.35Å; L191-M195 HydrophobicContact CD2-CG 3.93Å; L191-M195 HydrophobicContact CD2-SD 3.12Å; L191-M195 WeakPolarHBondContact CD2-SD 3.22Å; L191-M195 PolarHBondContact O-N 3.47Å; L191-M195 VanDerWaalsContact O-N 3.14Å; L191-F196 WeakPolarHBondContact O-CD2 2.87Å; L191-L271 HydrophobicContact CD1-CD2 4.29Å; L191-M275 HydrophobicContact CD1-CB 4.44Å; L191-M275 HydrophobicContact CD1-CE 3.11Å; L191-M275 HydrophobicContact CD1-CG 3.56Å; L191-M275 HydrophobicContact CD1-SD 3.6Å; L191-M275 VanDerWaalsContact CD1-SD 3.6Å; L191-M275 HydrophobicContact CD2-CE 4.38Å; L191-M275 HydrophobicContact CG-CE 3.66Å; L191-M275 HydrophobicContact CG-SD 4.34Å
192	S	41.5	Very low	45	Very low	63 Å²	63	60.7 Å²	60.7	44%	0.441	31%	0.306	S	S	.	.	I	π-helix	trans	-67.7	-35	-174.3	55.7	0	0	0	0	112.6	T188 T189	T188-S192 VanDerWaalsContact O-CB 3.32Å; T188-S192 WeakPolarHBondContact O-CB 3.49Å; T188-S192 PolarHBondContact O-N 2.89Å; T188-S192 VanDerWaalsContact O-N 3.08Å; T188-S192 PolarHBondContact O-OG 2.64Å; T189-S192 PolarHBondContact O-OG 3.17Å
193	H	47	Very low	44.3	Very low	67 Å²	67	61.9 Å²	61.9	31%	0.31	32%	0.316	S	S	.	.	I	π-helix	trans	-93.8	-22.2	-179.6	-71.7	-97.5	0	0	0	114.3	T189 L191 K197	T189-H193 VanDerWaalsContact O-CB 3.22Å; T189-H193 WeakPolarHBondContact O-CB 3.22Å; T189-H193 PolarHBondContact O-CD2 3.31Å; T189-H193 PolarHBondContact O-N 2.94Å; L191-H193 PolarHBondContact O-N 3.35Å; H193-K197 WeakPolarHBondContact O-CD 3.41Å
194	Q	44.9	Very low	43.9	Very low	58 Å²	58	59.7 Å²	59.7	27%	0.271	30%	0.301	S	S	.	.	I	π-helix	trans	-121.5	-35.2	-167.8	-46.9	-168.6	2.5	0	0	114.8	R137 Y190	R137-Q194 HydrophobicContact CB-CB 4.32Å; R137-Q194 HydrophobicContact CG-CB 4.22Å; R137-Q194 HydrophobicContact CG-CG 4.27Å; Y190-Q194 HydrophobicContact CE1-CB 4.42Å; Y190-Q194 VanDerWaalsContact CE2-CD 3.48Å; Y190-Q194 WeakPolarHBondContact O-CA 3.43Å; Y190-Q194 WeakPolarHBondContact O-CB 3.43Å; Y190-Q194 WeakPolarHBondContact O-CG 3.25Å; Y190-Q194 PolarHBondContact O-N 3.04Å; Y190-Q194 PolarHBondContact OH-OE1 3.35Å
195	M	42.2	Very low	43.5	Very low	9 Å²	9	60.5 Å²	60.5	4%	0.044	31%	0.307	C	S	.	.	I	π-helix	trans	-80.7	-34.4	-177	-76	-164.6	89.3	0	0	114.2	Q141 I144 L191	Q141-M195 HydrophobicContact CB-CE 4.23Å; Q141-M195 HydrophobicContact CB-CG 4.12Å; Q141-M195 HydrophobicContact CG-CB 4.34Å; Q141-M195 HydrophobicContact CG-CE 3.62Å; Q141-M195 HydrophobicContact CG-CG 3.96Å; Q141-M195 PolarHBondContact NE2-O 3.29Å; Q141-M195 VanDerWaalsContact NE2-O 3.1Å; Q141-M195 WeakPolarHBondContact O-CE 3.5Å; I144-M195 HydrophobicContact CB-CE 3.68Å; I144-M195 HydrophobicContact CB-SD 3.76Å; I144-M195 HydrophobicContact CD1-CG 4.38Å; I144-M195 HydrophobicContact CD1-SD 3.71Å; I144-M195 HydrophobicContact CG1-SD 4.34Å; I144-M195 HydrophobicContact CG2-CE 3.69Å; I144-M195 HydrophobicContact CG2-SD 3.52Å; I144-M195 VanDerWaalsContact CG2-SD 3.52Å; L191-M195 HydrophobicContact CD2-CG 3.93Å; L191-M195 HydrophobicContact CD2-SD 3.12Å; L191-M195 WeakPolarHBondContact CD2-SD 3.22Å; L191-M195 PolarHBondContact O-N 3.47Å; L191-M195 VanDerWaalsContact O-N 3.14Å
196	F	42.5	Very low	43.3	Very low	117 Å²	117	56.5 Å²	56.5	51%	0.513	29%	0.286	S	S	.	.	S	Bend	trans	-101.2	-7.6	-171.3	-61.8	-69.9	0	0	0	114.4	L191 L271	L191-F196 WeakPolarHBondContact O-CD2 2.87Å; F196-L271 HydrophobicContact CZ-CD2 4.15Å
197	K	40.7	Very low	42.9	Very low	101 Å²	101	50.2 Å²	50.2	44%	0.439	26%	0.264	S	S	.	.	S	Bend	trans	-82.4	-29.6	-176.1	-85.5	-164.8	-177.4	-179.2	0	115	P27 H193	P27-K197 HydrophobicContact CB-CD 4.35Å; P27-K197 HydrophobicContact CG-CD 4.4Å; P27-K197 HydrophobicContact CG-CG 4.42Å; H193-K197 WeakPolarHBondContact O-CD 3.41Å
198	N	41.4	Very low	42.1	Very low	72 Å²	72	51.5 Å²	51.5	39%	0.385	27%	0.272	S	S	.	.			trans	-128	102.2	-173.5	-74.6	-13.4	0	0	0	109	S200	N198-S200 PolarHBondContact O-N 2.89Å
199	Q	40.8	Very low	42.2	Very low	171 Å²	171	51.8 Å²	51.8	80%	0.799	27%	0.274	S	S	*	.			trans	-72.1	47.5	170.9	-67.5	178.3	-14.9	0	0	111.5
200	S	40.6	Very low	41.7	Very low	30 Å²	30	57 Å²	57	21%	0.21	29%	0.29	C	S	.	.			trans	-79.7	134.8	173.6	51.8	0	0	0	0	109.6	K138 N198 I202 S242	K138-S200 WeakPolarHBondContact CE-OG 3.04Å; N198-S200 PolarHBondContact O-N 2.89Å; S200-I202 WeakPolarHBondContact O-CG1 3.38Å; S200-I202 PolarHBondContact O-N 3.37Å; S200-S242 PolarHBondContact O-OG 3.01Å
201	N	39.3	Very low	41.1	Very low	77 Å²	77	57.9 Å²	57.9	41%	0.412	30%	0.297	S	S	.	.			trans	-49.8	123.4	170.5	-71.3	-11.7	0	0	0	109.6	E241 S243	N201-E241 HydrophobicContact CB-CB 4.1Å; N201-E241 HydrophobicContact CB-CG 4.08Å; N201-E241 VanDerWaalsContact CG-CD 3.48Å; N201-E241 PolarHBondContact ND2-OE1 2.69Å; N201-E241 PolarHBondContact ND2-OE2 2.72Å; N201-S243 PolarHBondContact OD1-OG 3.24Å
202	I	41.7	Very low	40.4	Very low	13 Å²	13	62.9 Å²	62.9	7%	0.067	32%	0.324	C	S	.	.			trans	-111.9	127.8	177.3	-74.1	166.9	0	0	0	107.5	K138 Q141 A142 S200 V240	K138-I202 HydrophobicContact CB-CG1 4.4Å; Q141-I202 HydrophobicContact CB-CD1 3.5Å; Q141-I202 VanDerWaalsContact CB-CD1 3.5Å; Q141-I202 HydrophobicContact CG-CD1 3.23Å; Q141-I202 VanDerWaalsContact OE1-CD1 3.25Å; A142-I202 HydrophobicContact CB-CG2 3.33Å; S200-I202 WeakPolarHBondContact O-CG1 3.38Å; S200-I202 PolarHBondContact O-N 3.37Å; I202-V240 CarbonylContact O-C 3.46Å
203	T	39.1	Very low	40	Very low	69 Å²	69	67.9 Å²	67.9	42%	0.423	34%	0.341	S	S	.	.			trans	-82.7	129.9	168.9	-41.2	0	0	0	0	109.3	H239	T203-H239 HydrophobicContact CG2-CB 3.98Å; T203-H239 WeakPolarHBondContact CG2-CD2 3.24Å; T203-H239 VanDerWaalsContact CG2-CG 3.41Å; T203-H239 WeakPolarHBondContact CG2-NE2 3.3Å; T203-H239 PolarHBondContact OG1-CD2 3.03Å; T203-H239 PolarHBondContact OG1-CE1 3.29Å; T203-H239 PolarHBondContact OG1-NE2 3.25Å
204	F	44.1	Very low	39.4	Very low	7 Å²	7	69.1 Å²	69.1	3%	0.031	35%	0.349	C	S	.	.			trans	-127.2	119.4	164.4	54.2	-91.3	0	0	0	109.6	L149 L206 M238 V240 L245	L149-F204 HydrophobicContact CD1-CE2 4.15Å; L149-F204 HydrophobicContact CD1-CZ 4.05Å; F204-L206 HydrophobicContact CD2-CD2 3.58Å; F204-L206 HydrophobicContact CD2-CG 4.08Å; F204-L206 HydrophobicContact CE2-CD1 4.29Å; F204-L206 HydrophobicContact CE2-CD2 3.78Å; F204-L206 HydrophobicContact CE2-CG 4.23Å; F204-M238 CarbonylContact C-O 3.36Å; F204-V240 HydrophobicContact CD1-CB 4.18Å; F204-V240 WeakPolarHBondContact CD1-O 3.38Å; F204-V240 HydrophobicContact CD2-CB 4.41Å; F204-V240 HydrophobicContact CE1-CB 3.45Å; F204-V240 VanDerWaalsContact CE1-CB 3.45Å; F204-V240 HydrophobicContact CE1-CG1 3.71Å; F204-V240 HydrophobicContact CE1-CG2 4.42Å; F204-V240 WeakPolarHBondContact CE1-O 3.47Å; F204-V240 HydrophobicContact CE2-CB 3.72Å; F204-V240 HydrophobicContact CE2-CG1 4.3Å; F204-V240 HydrophobicContact CE2-CG2 3.78Å; F204-V240 HydrophobicContact CZ-CB 3.22Å; F204-V240 HydrophobicContact CZ-CG1 3.42Å; F204-V240 VanDerWaalsContact CZ-CG1 3.42Å; F204-V240 HydrophobicContact CZ-CG2 3.77Å; F204-L245 HydrophobicContact CE1-CD1 3.46Å; F204-L245 VanDerWaalsContact CE1-CD1 3.46Å; F204-L245 HydrophobicContact CE1-CG 4.1Å; F204-L245 HydrophobicContact CZ-CD1 3.75Å; F204-L245 HydrophobicContact CZ-CD2 4.18Å; F204-L245 HydrophobicContact CZ-CG 4.09Å
205	S	41.1	Very low	38.6	Very low	23 Å²	23	71.7 Å²	71.7	16%	0.161	37%	0.369	C	S	.	.			trans	-75	131.1	173.9	-54.2	0	0	0	0	109.8	M238	S205-M238 WeakPolarHBondContact CA-O 3.46Å
206	L	43.2	Very low	37.9	Very low	4 Å²	4	80.6 Å²	80.6	2%	0.021	41%	0.407	C	S	.	.			trans	-93.6	149.9	173	-55.8	176.7	0	0	0	108.6	V115 L117 F204 M238	V115-L206 HydrophobicContact CG1-CB 3.92Å; V115-L206 HydrophobicContact CG1-CD1 4.15Å; L117-L206 HydrophobicContact CB-CD2 4.08Å; L117-L206 HydrophobicContact CD2-CD1 3.55Å; L117-L206 HydrophobicContact CD2-CD2 3.46Å; L117-L206 VanDerWaalsContact CD2-CD2 3.46Å; L117-L206 HydrophobicContact CD2-CG 4.09Å; L117-L206 HydrophobicContact CG-CD2 4.36Å; F204-L206 HydrophobicContact CD2-CD2 3.58Å; F204-L206 HydrophobicContact CD2-CG 4.08Å; F204-L206 HydrophobicContact CE2-CD1 4.29Å; F204-L206 HydrophobicContact CE2-CD2 3.78Å; F204-L206 HydrophobicContact CE2-CG 4.23Å; L206-M238 HydrophobicContact CB-CB 4.23Å; L206-M238 HydrophobicContact CB-CE 4.27Å; L206-M238 HydrophobicContact CD1-CB 3.8Å; L206-M238 HydrophobicContact CD1-CE 3.71Å; L206-M238 HydrophobicContact CD1-CG 4.41Å; L206-M238 HydrophobicContact CD1-SD 3.78Å; L206-M238 HydrophobicContact CG-CB 3.97Å
207	L	41.2	Very low	37.2	Very low	24 Å²	24	79.1 Å²	79.1	13%	0.126	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.3	177.1	-71.9	178.6	0	0	0	110.2	I116 I120 I235	I116-L207 WeakPolarHBondContact CA-O 3.38Å; I116-L207 VanDerWaalsContact CB-O 3.32Å; I116-L207 WeakPolarHBondContact CB-O 3.3Å; I116-L207 PolarHBondContact N-O 2.94Å; I116-L207 PolarHBondContact O-N 3.49Å; I116-L207 VanDerWaalsContact O-O 3.07Å; I120-L207 HydrophobicContact CD1-CD1 3.86Å; I120-L207 HydrophobicContact CD1-CD2 3.48Å; I120-L207 VanDerWaalsContact CD1-CD2 3.48Å; I120-L207 HydrophobicContact CD1-CG 3.53Å; I120-L207 HydrophobicContact CG1-CD1 4.03Å; I120-L207 HydrophobicContact CG1-CD2 4.45Å; I120-L207 HydrophobicContact CG1-CG 3.96Å; L207-I235 HydrophobicContact CD2-CG2 3.68Å
208	P	35	Very low	36.6	Very low	31 Å²	31	81 Å²	81	20%	0.201	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	147.9	173.6	26	-30.7	0	0	0	111.6	K210 S211 E234 I236	P208-K210 PolarHBondContact O-N 2.84Å; P208-S211 PolarHBondContact O-N 2.87Å; P208-E234 WeakPolarHBondContact CG-O 3.21Å; P208-I236 HydrophobicContact CG-CG1 4.47Å
209	V	39.8	Very low	36.1	Very low	57 Å²	57	84.2 Å²	84.2	35%	0.345	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.3	-178.6	168.1	0	0	0	0	113.2	D114 I116 S211	D114-V209 HydrophobicContact CB-CB 3.81Å; D114-V209 HydrophobicContact CB-CG2 3.57Å; D114-V209 PolarHBondContact O-N 2.81Å; D114-V209 VanDerWaalsContact O-N 3.09Å; I116-V209 HydrophobicContact CD1-CB 4.31Å; I116-V209 HydrophobicContact CD1-CG2 3.78Å; I116-V209 HydrophobicContact CG1-CB 4.22Å; I116-V209 HydrophobicContact CG1-CG2 3.31Å; V209-S211 VanDerWaalsContact C-N 3.27Å; V209-S211 PolarHBondContact O-N 3.3Å
210	K	36.7	Very low	35.3	Very low	187 Å²	187	81 Å²	81	81%	0.813	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	14.9	-176	-68.2	-170.8	177.4	-176.6	0	115.7	P208 N212	P208-K210 PolarHBondContact O-N 2.84Å; K210-N212 PolarHBondContact O-N 2.78Å; K210-N212 VanDerWaalsContact O-N 3.14Å
211	S	34.6	Very low	34.7	Very low	29 Å²	29	85.8 Å²	85.8	20%	0.203	47%	0.472	C	S	.	.			trans	-67	117.1	165.9	73.9	0	0	0	0	108.9	P208 V209 H213 L214	P208-S211 PolarHBondContact O-N 2.87Å; V209-S211 VanDerWaalsContact C-N 3.27Å; V209-S211 PolarHBondContact O-N 3.3Å; S211-H213 PolarHBondContact O-N 2.8Å; S211-L214 PolarHBondContact O-N 2.89Å
212	N	31.6	Very low	34.1	Very low	112 Å²	112	88.2 Å²	88.2	60%	0.599	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	4.6	174.3	-74.4	-27.7	0	0	0	114.4	K210	K210-N212 PolarHBondContact O-N 2.78Å; K210-N212 VanDerWaalsContact O-N 3.14Å
213	H	33.5	Very low	33.5	Very low	168 Å²	168	94.9 Å²	94.9	78%	0.778	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.1	178.5	-62.9	-62.2	0	0	0	114.5	S211	S211-H213 PolarHBondContact O-N 2.8Å
214	L	32.6	Very low	33.1	Very low	92 Å²	92	100.4 Å²	100.4	48%	0.482	54%	0.544	S	S	.	.	S	Bend	trans	-108.8	-7.7	179.7	-76	164.2	0	0	0	114.7	I116 S211	I116-L214 HydrophobicContact CD1-CD1 3.42Å; I116-L214 VanDerWaalsContact CD1-CD1 3.42Å; S211-L214 PolarHBondContact O-N 2.89Å
215	T	30	Very low	32.3	Very low	113 Å²	113	105.8 Å²	105.8	69%	0.693	58%	0.577	S	S	*	*	S	Bend	trans	-100.8	35	-177.4	43.2	0	0	0	0	114.2
216	K	27.1	Very low	31.8	Very low	196 Å²	196	112.9 Å²	112.9	85%	0.852	61%	0.612	S	S	*	*			trans	-134.7	61.6	172.3	-71.5	-171.1	179.8	179.2	0	112.8
217	A	27.5	Very low	31.1	Very low	85 Å²	85	117.4 Å²	117.4	70%	0.702	64%	0.641	S	S	*	*	S	Bend	trans	-163	68.8	159.3	0	0	0	0	0	109.8
218	N	28.1	Very low	30.4	Very low	140 Å²	140	123 Å²	123	75%	0.749	67%	0.671	S	S	*	*	S	Bend	trans	-174.5	99.8	144	-87.5	-14.9	0	0	0	106.2
219	I	29.9	Very low	30.1	Very low	140 Å²	140	128 Å²	128	72%	0.718	70%	0.697	S	S	*	*				71	93.2	106	-62.7	162.9	0	0	0	110.4
220	S	25.2	Very low	29.6	Very low	104 Å²	104	132.5 Å²	132.5	73%	0.727	72%	0.719	S	S	*	*			trans	43.5	94.9	148.3	60.8	0	0	0	0	117.9
221	T	28.1	Very low	29.1	Very low	131 Å²	131	130.5 Å²	130.5	80%	0.804	72%	0.717	S	S	*	*			trans	-166.4	123.4	136.9	21.4	0	0	0	0	108.6
222	P	25.2	Very low	28.9	Very low	128 Å²	128	132.6 Å²	132.6	83%	0.831	73%	0.732	S	S	*	*			trans	-92.2	109.4	178.9	32.7	-25.6	0	0	0	109.5
223	I	30.4	Very low	28.9	Very low	153 Å²	153	132.5 Å²	132.5	79%	0.785	74%	0.74	S	S	*	*			trans	-128.2	94.2	164.4	-55.8	-178.8	0	0	0	109.7
224	K	30.6	Very low	28.8	Very low	184 Å²	184	130.8 Å²	130.8	80%	0.8	73%	0.732	S	S	*	*			trans	22.4	109.2	137.8	-72.1	179.8	176.1	179.3	0	118.3
225	T	27.3	Very low	29	Very low	120 Å²	120	131.1 Å²	131.1	74%	0.736	73%	0.733	S	S	*	*				45.3	106.2	128.2	52.4	0	0	0	0	119.1
226	I	29.6	Very low	29.2	Very low	172 Å²	172	128.1 Å²	128.1	88%	0.882	71%	0.712	S	S	*	*			trans	-132.3	109.3	134.5	-58.6	178.5	0	0	0	106.9
227	P	28.1	Very low	29.7	Very low	99 Å²	99	125.5 Å²	125.5	64%	0.643	70%	0.703	S	S	*	*			trans	-92.4	135.6	171.2	34.4	-26.3	0	0	0	109.7
228	N	28.4	Very low	30.2	Very low	141 Å²	141	121.8 Å²	121.8	75%	0.754	67%	0.671	S	S	*	*			trans	169.5	122.8	130.6	-91.7	-14.5	0	0	0	112.6
229	N	26.9	Very low	30.8	Very low	137 Å²	137	119.7 Å²	119.7	73%	0.733	66%	0.657	S	S	*	*	S	Bend	trans	69.5	116.5	135.4	-63.1	-11.9	0	0	0	119.9
230	N	29.1	Very low	31.3	Very low	152 Å²	152	113.1 Å²	113.1	81%	0.813	62%	0.623	S	S	*	*			trans	82.1	45.1	168.1	-61.1	-2.4	0	0	0	117.2	S232	N230-S232 PolarHBondContact O-N 3.03Å
231	D	27.8	Very low	32.3	Very low	145 Å²	145	111 Å²	111	78%	0.775	60%	0.602	S	S	*	*			trans	-66.2	74.6	154.5	-80	-19.3	0	0	0	109	S233	D231-S233 VanDerWaalsContact C-N 3.34Å; D231-S233 PolarHBondContact O-N 3.13Å
232	S	29.3	Very low	33	Very low	73 Å²	73	105.3 Å²	105.3	51%	0.51	57%	0.567	S	S	.	*			trans	-60.6	108.4	156.9	62	0	0	0	0	105.1	N230 E234	N230-S232 PolarHBondContact O-N 3.03Å; S232-E234 WeakPolarHBondContact CB-OE1 3.29Å; S232-E234 PolarHBondContact O-N 3.38Å; S232-E234 VanDerWaalsContact OG-CD 3.3Å; S232-E234 PolarHBondContact OG-OE1 3.32Å
233	S	31.3	Very low	33.8	Very low	110 Å²	110	101.6 Å²	101.6	77%	0.769	54%	0.544	S	S	*	.			trans	-67	66.8	168	56.5	0	0	0	0	107.8	D231 I235	D231-S233 VanDerWaalsContact C-N 3.34Å; D231-S233 PolarHBondContact O-N 3.13Å; S233-I235 VanDerWaalsContact C-N 3.26Å; S233-I235 PolarHBondContact O-N 3.43Å
234	E	32.5	Very low	34.6	Very low	132 Å²	132	98.2 Å²	98.2	62%	0.617	53%	0.525	S	S	*	.			trans	-75.8	87.8	178.3	-84.9	171.5	-149.3	0	0	107.2	P208 S232 I236	P208-E234 WeakPolarHBondContact CG-O 3.21Å; S232-E234 WeakPolarHBondContact CB-OE1 3.29Å; S232-E234 PolarHBondContact O-N 3.38Å; S232-E234 VanDerWaalsContact OG-CD 3.3Å; S232-E234 PolarHBondContact OG-OE1 3.32Å; E234-I236 VanDerWaalsContact C-N 3.32Å; E234-I236 PolarHBondContact O-N 3.48Å
235	I	36.7	Very low	35.3	Very low	98 Å²	98	89.7 Å²	89.7	50%	0.503	49%	0.489	S	S	.	.			trans	-59.5	100.3	161.7	-61.1	175.6	0	0	0	105.9	L207 S233 Q237	L207-I235 HydrophobicContact CD2-CG2 3.68Å; S233-I235 VanDerWaalsContact C-N 3.26Å; S233-I235 PolarHBondContact O-N 3.43Å; I235-Q237 VanDerWaalsContact C-N 3.26Å; I235-Q237 HydrophobicContact CG2-CG 3.62Å; I235-Q237 PolarHBondContact O-N 3Å
236	I	34.8	Very low	36	Very low	50 Å²	50	88.6 Å²	88.6	26%	0.256	47%	0.474	S	S	.	.			trans	-75.9	85.5	173.3	-54.1	175.5	0	0	0	108.2	L109 P208 E234 M238	L109-I236 HydrophobicContact CD1-CG2 4.07Å; L109-I236 HydrophobicContact CD2-CD1 3.54Å; L109-I236 HydrophobicContact CD2-CG2 3.97Å; L109-I236 HydrophobicContact CG-CD1 4.1Å; L109-I236 HydrophobicContact CG-CG2 4.19Å; P208-I236 HydrophobicContact CG-CG1 4.47Å; E234-I236 VanDerWaalsContact C-N 3.32Å; E234-I236 PolarHBondContact O-N 3.48Å; I236-M238 HydrophobicContact CG2-CE 4.12Å; I236-M238 PolarHBondContact O-N 3.42Å
237	Q	36.4	Very low	36.6	Very low	142 Å²	142	83.1 Å²	83.1	66%	0.664	45%	0.451	S	S	*	.			trans	-69	84.9	172.3	-64.7	-173.5	-13.1	0	0	109.4	I235	I235-Q237 VanDerWaalsContact C-N 3.26Å; I235-Q237 HydrophobicContact CG2-CG 3.62Å; I235-Q237 PolarHBondContact O-N 3Å
238	M	37.8	Very low	37.2	Very low	6 Å²	6	78.8 Å²	78.8	3%	0.03	42%	0.422	C	S	.	.			trans	-70.9	135.1	167.2	-116.2	172.1	-67.2	0	0	109.1	I103 L104 N107 L109 V115 F204 S205 L206 I236 V240	I103-M238 HydrophobicContact CG2-SD 3.72Å; L104-M238 HydrophobicContact CD2-CE 3.5Å; L104-M238 VanDerWaalsContact CD2-CE 3.5Å; L104-M238 HydrophobicContact CD2-SD 3.54Å; L104-M238 VanDerWaalsContact CD2-SD 3.54Å; N107-M238 HydrophobicContact CB-CG 4.48Å; L109-M238 HydrophobicContact CD1-CE 3.35Å; L109-M238 HydrophobicContact CD1-CG 4.39Å; L109-M238 HydrophobicContact CD1-SD 3.77Å; L109-M238 HydrophobicContact CD2-CE 3.47Å; L109-M238 VanDerWaalsContact CD2-CE 3.47Å; L109-M238 HydrophobicContact CG-CE 4.05Å; V115-M238 HydrophobicContact CG1-CE 4.41Å; F204-M238 CarbonylContact C-O 3.36Å; S205-M238 WeakPolarHBondContact CA-O 3.46Å; L206-M238 HydrophobicContact CB-CB 4.23Å; L206-M238 HydrophobicContact CB-CE 4.27Å; L206-M238 HydrophobicContact CD1-CB 3.8Å; L206-M238 HydrophobicContact CD1-CE 3.71Å; L206-M238 HydrophobicContact CD1-CG 4.41Å; L206-M238 HydrophobicContact CD1-SD 3.78Å; L206-M238 HydrophobicContact CG-CB 3.97Å; I236-M238 HydrophobicContact CG2-CE 4.12Å; I236-M238 PolarHBondContact O-N 3.42Å; M238-V240 HydrophobicContact CB-CG2 4.45Å
239	H	40.9	Very low	37.6	Very low	97 Å²	97	73.3 Å²	73.3	45%	0.449	39%	0.391	S	S	.	.			trans	-112.6	103.8	174.8	-175.7	-53.3	0	0	0	107.1	T203	T203-H239 HydrophobicContact CG2-CB 3.98Å; T203-H239 WeakPolarHBondContact CG2-CD2 3.24Å; T203-H239 VanDerWaalsContact CG2-CG 3.41Å; T203-H239 WeakPolarHBondContact CG2-NE2 3.3Å; T203-H239 PolarHBondContact OG1-CD2 3.03Å; T203-H239 PolarHBondContact OG1-CE1 3.29Å; T203-H239 PolarHBondContact OG1-NE2 3.25Å
240	V	41.4	Very low	38	Very low	1 Å²	1	73.5 Å²	73.5	1%	0.006	39%	0.385	C	S	.	.			trans	-114.2	112.3	-177.9	-179	0	0	0	0	109.3	I103 I202 F204 M238 Q244 L245	I103-V240 HydrophobicContact CD1-CG1 3.77Å; I103-V240 HydrophobicContact CD1-CG2 4.32Å; I103-V240 HydrophobicContact CG2-CG2 3.59Å; I202-V240 CarbonylContact O-C 3.46Å; F204-V240 HydrophobicContact CD1-CB 4.18Å; F204-V240 WeakPolarHBondContact CD1-O 3.38Å; F204-V240 HydrophobicContact CD2-CB 4.41Å; F204-V240 HydrophobicContact CE1-CB 3.45Å; F204-V240 VanDerWaalsContact CE1-CB 3.45Å; F204-V240 HydrophobicContact CE1-CG1 3.71Å; F204-V240 HydrophobicContact CE1-CG2 4.42Å; F204-V240 WeakPolarHBondContact CE1-O 3.47Å; F204-V240 HydrophobicContact CE2-CB 3.72Å; F204-V240 HydrophobicContact CE2-CG1 4.3Å; F204-V240 HydrophobicContact CE2-CG2 3.78Å; F204-V240 HydrophobicContact CZ-CB 3.22Å; F204-V240 HydrophobicContact CZ-CG1 3.42Å; F204-V240 VanDerWaalsContact CZ-CG1 3.42Å; F204-V240 HydrophobicContact CZ-CG2 3.77Å; M238-V240 HydrophobicContact CB-CG2 4.45Å; V240-Q244 VanDerWaalsContact CA-OE1 3.32Å; V240-Q244 HydrophobicContact CG1-CB 4.16Å; V240-L245 HydrophobicContact CG1-CD2 4.29Å; V240-L245 HydrophobicContact CG1-CG 3.9Å
241	E	45.3	Very low	38.2	Very low	61 Å²	61	69.3 Å²	69.3	29%	0.285	37%	0.367	S	S	.	.			trans	-68.8	151.1	178	-57.3	-170.6	151.1	0	0	111.6	N201 S243 Q244 L245	N201-E241 HydrophobicContact CB-CB 4.1Å; N201-E241 HydrophobicContact CB-CG 4.08Å; N201-E241 VanDerWaalsContact CG-CD 3.48Å; N201-E241 PolarHBondContact ND2-OE1 2.69Å; N201-E241 PolarHBondContact ND2-OE2 2.72Å; E241-S243 WeakPolarHBondContact CB-OG 3.08Å; E241-S243 PolarHBondContact O-N 2.81Å; E241-S243 PolarHBondContact OE2-OG 3.36Å; E241-Q244 HydrophobicContact CB-CB 4.36Å; E241-Q244 HydrophobicContact CB-CG 4.02Å; E241-Q244 WeakPolarHBondContact O-CA 3.35Å; E241-Q244 WeakPolarHBondContact O-CB 3.35Å; E241-Q244 PolarHBondContact O-N 3.42Å; E241-L245 PolarHBondContact O-N 3.48Å
242	S	42.8	Very low	38.6	Very low	10 Å²	10	69.3 Å²	69.3	7%	0.07	37%	0.367	C	S	.	.	H	α-helix	trans	-58	-35.5	171.8	52.6	0	0	0	0	111.3	S200 Q244 L245 F246	S200-S242 PolarHBondContact O-OG 3.01Å; S242-Q244 VanDerWaalsContact C-N 3.27Å; S242-Q244 PolarHBondContact O-N 2.74Å; S242-L245 PolarHBondContact O-N 3.07Å; S242-F246 WeakPolarHBondContact O-CB 3.3Å; S242-F246 WeakPolarHBondContact O-CD2 3.27Å; S242-F246 WeakPolarHBondContact O-CG 3.27Å; S242-F246 PolarHBondContact O-N 2.86Å
243	S	43.1	Very low	38.9	Very low	50 Å²	50	73.7 Å²	73.7	35%	0.35	38%	0.384	S	S	.	.	H	α-helix	trans	-57.1	-38.7	172.2	62.6	0	0	0	0	112.2	N201 E241 F246 S247	N201-S243 PolarHBondContact OD1-OG 3.24Å; E241-S243 WeakPolarHBondContact CB-OG 3.08Å; E241-S243 PolarHBondContact O-N 2.81Å; E241-S243 PolarHBondContact OE2-OG 3.36Å; S243-F246 PolarHBondContact O-N 3.18Å; S243-S247 VanDerWaalsContact O-CB 3.24Å; S243-S247 WeakPolarHBondContact O-CB 3.31Å; S243-S247 PolarHBondContact O-N 3.23Å; S243-S247 PolarHBondContact O-OG 3.39Å
244	Q	45.6	Very low	39.1	Very low	82 Å²	82	70.1 Å²	70.1	38%	0.383	36%	0.359	S	S	.	.	H	α-helix	trans	-73.7	-39	178.3	-67.7	171.7	-26.8	0	0	111.5	V240 E241 S242 S247 I248	V240-Q244 VanDerWaalsContact CA-OE1 3.32Å; V240-Q244 HydrophobicContact CG1-CB 4.16Å; E241-Q244 HydrophobicContact CB-CB 4.36Å; E241-Q244 HydrophobicContact CB-CG 4.02Å; E241-Q244 WeakPolarHBondContact O-CA 3.35Å; E241-Q244 WeakPolarHBondContact O-CB 3.35Å; E241-Q244 PolarHBondContact O-N 3.42Å; S242-Q244 VanDerWaalsContact C-N 3.27Å; S242-Q244 PolarHBondContact O-N 2.74Å; Q244-S247 WeakPolarHBondContact CA-OG 3.48Å; Q244-S247 PolarHBondContact O-N 3.35Å; Q244-S247 PolarHBondContact O-OG 2.8Å; Q244-I248 WeakPolarHBondContact O-CB 3.29Å; Q244-I248 VanDerWaalsContact O-CD1 3.25Å; Q244-I248 WeakPolarHBondContact O-CD1 3.32Å; Q244-I248 WeakPolarHBondContact O-CG1 3.45Å; Q244-I248 PolarHBondContact O-N 3.48Å
245	L	47	Very low	39.3	Very low	6 Å²	6	73.7 Å²	73.7	3%	0.031	37%	0.373	C	S	.	.	H	α-helix	trans	-62.9	-45.2	169.1	-77.7	174.2	0	0	0	111.3	I103 M145 L149 F204 V240 E241 S242 S247 I248 Y249	I103-L245 HydrophobicContact CD1-CD2 4.31Å; M145-L245 HydrophobicContact CG-CD1 3.7Å; M145-L245 HydrophobicContact SD-CD1 4.2Å; L149-L245 HydrophobicContact CD1-CD2 4.39Å; F204-L245 HydrophobicContact CE1-CD1 3.46Å; F204-L245 VanDerWaalsContact CE1-CD1 3.46Å; F204-L245 HydrophobicContact CE1-CG 4.1Å; F204-L245 HydrophobicContact CZ-CD1 3.75Å; F204-L245 HydrophobicContact CZ-CD2 4.18Å; F204-L245 HydrophobicContact CZ-CG 4.09Å; V240-L245 HydrophobicContact CG1-CD2 4.29Å; V240-L245 HydrophobicContact CG1-CG 3.9Å; E241-L245 PolarHBondContact O-N 3.48Å; S242-L245 PolarHBondContact O-N 3.07Å; L245-S247 VanDerWaalsContact C-N 3.34Å; L245-S247 PolarHBondContact O-N 2.98Å; L245-I248 WeakPolarHBondContact O-CB 3.43Å; L245-I248 PolarHBondContact O-N 2.95Å; L245-Y249 WeakPolarHBondContact O-CD2 3.48Å; L245-Y249 WeakPolarHBondContact O-CE2 3.2Å; L245-Y249 PolarHBondContact O-N 2.82Å
246	F	41.9	Very low	39.4	Very low	96 Å²	96	73.2 Å²	73.2	42%	0.421	37%	0.371	S	S	.	.	H	α-helix	trans	-68.1	-31.5	177.8	-71.6	-58.9	0	0	0	113.1	S242 S243 Y249 K250	S242-F246 WeakPolarHBondContact O-CB 3.3Å; S242-F246 WeakPolarHBondContact O-CD2 3.27Å; S242-F246 WeakPolarHBondContact O-CG 3.27Å; S242-F246 PolarHBondContact O-N 2.86Å; S243-F246 PolarHBondContact O-N 3.18Å; F246-Y249 PolarHBondContact O-N 2.95Å; F246-K250 PolarHBondContact O-N 2.88Å
247	S	41.8	Very low	39.4	Very low	58 Å²	58	78.1 Å²	78.1	41%	0.406	39%	0.393	S	S	.	.	H	α-helix	trans	-74	-29.3	175.8	71.7	0	0	0	0	112.5	S243 Q244 L245 Y249 K250	S243-S247 VanDerWaalsContact O-CB 3.24Å; S243-S247 WeakPolarHBondContact O-CB 3.31Å; S243-S247 PolarHBondContact O-N 3.23Å; S243-S247 PolarHBondContact O-OG 3.39Å; Q244-S247 WeakPolarHBondContact CA-OG 3.48Å; Q244-S247 PolarHBondContact O-N 3.35Å; Q244-S247 PolarHBondContact O-OG 2.8Å; L245-S247 VanDerWaalsContact C-N 3.34Å; L245-S247 PolarHBondContact O-N 2.98Å; S247-Y249 PolarHBondContact O-N 2.91Å; S247-K250 WeakPolarHBondContact O-CA 3.44Å; S247-K250 WeakPolarHBondContact O-CB 3.34Å; S247-K250 PolarHBondContact O-N 3.44Å; S247-K250 VanDerWaalsContact O-O 3.14Å
248	I	39.3	Very low	39.3	Very low	8 Å²	8	76.7 Å²	76.7	4%	0.041	39%	0.386	C	S	.	.	H	α-helix	trans	-60.6	-32.5	169.4	-79.4	161	0	0	0	112	I98 I99 N102 I103 Q244 L245	I98-I248 HydrophobicContact CB-CG2 4.09Å; I98-I248 HydrophobicContact CG2-CB 4.16Å; I98-I248 HydrophobicContact CG2-CG1 4.21Å; I98-I248 HydrophobicContact CG2-CG2 3.5Å; I99-I248 HydrophobicContact CG1-CG2 4.46Å; N102-I248 HydrophobicContact CB-CG1 4.25Å; I103-I248 HydrophobicContact CD1-CD1 3.13Å; I103-I248 HydrophobicContact CG1-CD1 3.34Å; Q244-I248 WeakPolarHBondContact O-CB 3.29Å; Q244-I248 VanDerWaalsContact O-CD1 3.25Å; Q244-I248 WeakPolarHBondContact O-CD1 3.32Å; Q244-I248 WeakPolarHBondContact O-CG1 3.45Å; Q244-I248 PolarHBondContact O-N 3.48Å; L245-I248 WeakPolarHBondContact O-CB 3.43Å; L245-I248 PolarHBondContact O-N 2.95Å
249	Y	38.1	Very low	39.1	Very low	26 Å²	26	81.7 Å²	81.7	10%	0.102	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.3	174.8	-56.8	-59.5	0	0	0	113.6	L245 F246 S247 C251 L267	L245-Y249 WeakPolarHBondContact O-CD2 3.48Å; L245-Y249 WeakPolarHBondContact O-CE2 3.2Å; L245-Y249 PolarHBondContact O-N 2.82Å; F246-Y249 PolarHBondContact O-N 2.95Å; S247-Y249 PolarHBondContact O-N 2.91Å; Y249-C251 VanDerWaalsContact C-N 3.32Å; Y249-C251 PolarHBondContact O-N 3Å; Y249-C251 VanDerWaalsContact O-N 3.13Å; Y249-L267 HydrophobicContact CD1-CD1 3.54Å; Y249-L267 HydrophobicContact CE1-CD1 3.29Å; Y249-L267 HydrophobicContact CE1-CD2 3.95Å; Y249-L267 HydrophobicContact CE1-CG 4.27Å; Y249-L267 HydrophobicContact CG-CD1 4.44Å
250	K	35.9	Very low	38.9	Very low	140 Å²	140	78.6 Å²	78.6	61%	0.609	40%	0.395	S	S	*	.	S	Bend	trans	-77.6	89.6	160.1	-71.8	-177.4	175.5	-179	0	106.8	F246 S247 L252	F246-K250 PolarHBondContact O-N 2.88Å; S247-K250 WeakPolarHBondContact O-CA 3.44Å; S247-K250 WeakPolarHBondContact O-CB 3.34Å; S247-K250 PolarHBondContact O-N 3.44Å; S247-K250 VanDerWaalsContact O-O 3.14Å; K250-L252 PolarHBondContact O-N 3.01Å
251	C	33.4	Very low	38.6	Very low	65 Å²	65	82.6 Å²	82.6	44%	0.439	42%	0.417	S	S	.	.			trans	-49.4	108.3	170.1	-101.8	0	0	0	0	109.1	Y249 N253 S254	Y249-C251 VanDerWaalsContact C-N 3.32Å; Y249-C251 PolarHBondContact O-N 3Å; Y249-C251 VanDerWaalsContact O-N 3.13Å; C251-N253 PolarHBondContact O-N 3.46Å; C251-S254 VanDerWaalsContact CB-OG 3.29Å; C251-S254 WeakPolarHBondContact CB-OG 3.31Å; C251-S254 PolarHBondContact O-N 3.09Å
252	L	34.9	Very low	38.2	Very low	145 Å²	145	82.8 Å²	82.8	76%	0.759	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	0.8	-174.3	-90.5	147.5	0	0	0	114.5	K250	K250-L252 PolarHBondContact O-N 3.01Å
253	N	37	Very low	38.1	Very low	164 Å²	164	83.8 Å²	83.8	88%	0.877	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.1	11.3	-178.6	-84.3	-31.8	0	0	0	115.3	C251	C251-N253 PolarHBondContact O-N 3.46Å
254	S	35.3	Very low	38	Very low	36 Å²	36	85 Å²	85	25%	0.252	43%	0.428	S	S	.	.			trans	-98	101.2	177.3	64.7	0	0	0	0	111.4	C251 N256	C251-S254 VanDerWaalsContact CB-OG 3.29Å; C251-S254 WeakPolarHBondContact CB-OG 3.31Å; C251-S254 PolarHBondContact O-N 3.09Å; S254-N256 PolarHBondContact O-N 3.09Å; S254-N256 VanDerWaalsContact O-N 3.09Å
255	K	36.8	Very low	37.8	Very low	207 Å²	207	83.6 Å²	83.6	90%	0.9	42%	0.423	S	S	*	.			trans	-63.8	-4.7	172	-73.5	-177	176.3	-180	0	114.3
256	N	37.9	Very low	37.7	Very low	87 Å²	87	85.7 Å²	85.7	47%	0.465	43%	0.434	S	S	.	.			trans	-97.9	104.5	176.7	-79.2	-5.7	0	0	0	110.9	S254 E258 H259	S254-N256 PolarHBondContact O-N 3.09Å; S254-N256 VanDerWaalsContact O-N 3.09Å; N256-E258 PolarHBondContact O-N 2.97Å; N256-E258 VanDerWaalsContact O-N 3.09Å; N256-H259 PolarHBondContact O-N 3.44Å
257	H	35.3	Very low	37.9	Very low	154 Å²	154	82.7 Å²	82.7	71%	0.713	42%	0.422	S	S	*	.	H	α-helix	trans	-50.4	-29.1	169	-81.8	-77.9	0	0	0	112.9	H259 I260 N261	H257-H259 PolarHBondContact O-N 3.29Å; H257-I260 PolarHBondContact O-N 3.46Å; H257-N261 PolarHBondContact O-N 3.17Å
258	E	33.1	Very low	38.1	Very low	112 Å²	112	81.7 Å²	81.7	52%	0.523	42%	0.417	S	S	.	.	H	α-helix	trans	-60.9	-37	175.3	-73.7	-174.9	143.9	0	0	113.8	N256 T262	N256-E258 PolarHBondContact O-N 2.97Å; N256-E258 VanDerWaalsContact O-N 3.09Å; E258-T262 WeakPolarHBondContact O-CB 3.41Å; E258-T262 PolarHBondContact O-N 2.89Å; E258-T262 PolarHBondContact O-OG1 2.92Å
259	H	35	Very low	38.4	Very low	111 Å²	111	83.8 Å²	83.8	51%	0.514	42%	0.424	S	S	.	.	H	α-helix	trans	-74.3	-35.9	-179	-76.9	-47.7	0	0	0	112.6	N256 H257 T262 V263	N256-H259 PolarHBondContact O-N 3.44Å; H257-H259 PolarHBondContact O-N 3.29Å; H259-T262 PolarHBondContact O-N 3.37Å; H259-V263 VanDerWaalsContact O-CG2 3.29Å; H259-V263 WeakPolarHBondContact O-CG2 3.47Å; H259-V263 PolarHBondContact O-N 2.83Å
260	I	37	Very low	38.8	Very low	31 Å²	31	83.3 Å²	83.3	16%	0.159	43%	0.425	C	S	.	.	H	α-helix	trans	-64.2	-47.8	177	-63	173.3	0	0	0	109.9	H257 T262 V263 Q264	H257-I260 PolarHBondContact O-N 3.46Å; I260-T262 PolarHBondContact O-N 3.19Å; I260-V263 PolarHBondContact O-N 2.75Å; I260-Q264 WeakPolarHBondContact O-CB 3.25Å; I260-Q264 VanDerWaalsContact O-CG 3.3Å; I260-Q264 WeakPolarHBondContact O-CG 3.34Å; I260-Q264 PolarHBondContact O-N 3.32Å
261	N	35	Very low	39.4	Very low	85 Å²	85	77.8 Å²	77.8	46%	0.455	40%	0.402	S	S	.	.	H	α-helix	trans	-63	-43.3	177.7	-71.3	-11.7	0	0	0	111.2	H257 V263 Q264 I265	H257-N261 PolarHBondContact O-N 3.17Å; N261-V263 PolarHBondContact O-N 2.87Å; N261-Q264 PolarHBondContact O-N 3.15Å; N261-I265 HydrophobicContact CB-CD1 4.48Å; N261-I265 VanDerWaalsContact O-CB 3.27Å; N261-I265 WeakPolarHBondContact O-CB 3.45Å; N261-I265 VanDerWaalsContact O-CD1 3.3Å; N261-I265 WeakPolarHBondContact O-CD1 3.26Å; N261-I265 WeakPolarHBondContact O-CG1 3.34Å; N261-I265 PolarHBondContact O-N 3.42Å
262	T	37	Very low	39.9	Very low	65 Å²	65	80.4 Å²	80.4	40%	0.399	41%	0.406	S	S	.	.	H	α-helix	trans	-59.9	-44.7	178.2	-58.7	0	0	0	0	112	E258 H259 I260 I265 L266	E258-T262 WeakPolarHBondContact O-CB 3.41Å; E258-T262 PolarHBondContact O-N 2.89Å; E258-T262 PolarHBondContact O-OG1 2.92Å; H259-T262 PolarHBondContact O-N 3.37Å; I260-T262 PolarHBondContact O-N 3.19Å; T262-I265 PolarHBondContact O-N 3.2Å; T262-L266 WeakPolarHBondContact O-CB 3.11Å; T262-L266 PolarHBondContact O-N 3.11Å
263	V	39.9	Very low	40.2	Very low	32 Å²	32	74.6 Å²	74.6	19%	0.194	38%	0.377	C	S	.	.	H	α-helix	trans	-68.1	-42.5	179.5	171.9	0	0	0	0	111.5	M91 H259 I260 N261 I265 L266 L267	M91-V263 HydrophobicContact CE-CG2 4.1Å; M91-V263 HydrophobicContact SD-CG1 4.28Å; M91-V263 HydrophobicContact SD-CG2 4.16Å; H259-V263 VanDerWaalsContact O-CG2 3.29Å; H259-V263 WeakPolarHBondContact O-CG2 3.47Å; H259-V263 PolarHBondContact O-N 2.83Å; I260-V263 PolarHBondContact O-N 2.75Å; N261-V263 PolarHBondContact O-N 2.87Å; V263-I265 VanDerWaalsContact C-N 3.34Å; V263-I265 PolarHBondContact O-N 3.15Å; V263-L266 PolarHBondContact O-N 3.45Å; V263-L267 HydrophobicContact CG1-CD1 3.9Å; V263-L267 WeakPolarHBondContact O-CB 3.44Å; V263-L267 PolarHBondContact O-N 2.83Å
264	Q	41.5	Very low	40.5	Very low	76 Å²	76	67.5 Å²	67.5	36%	0.355	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-42	175.1	-73	176.9	-12.9	0	0	112	I260 N261 L267 A268	I260-Q264 WeakPolarHBondContact O-CB 3.25Å; I260-Q264 VanDerWaalsContact O-CG 3.3Å; I260-Q264 WeakPolarHBondContact O-CG 3.34Å; I260-Q264 PolarHBondContact O-N 3.32Å; N261-Q264 PolarHBondContact O-N 3.15Å; Q264-L267 PolarHBondContact O-N 2.82Å; Q264-A268 WeakPolarHBondContact O-CB 3.29Å; Q264-A268 PolarHBondContact O-N 2.81Å
265	I	41.7	Very low	40.8	Very low	51 Å²	51	66.1 Å²	66.1	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-66	-40.8	176.6	-70.9	165.2	0	0	0	110.8	L50 N261 T262 V263 A268 R269	L50-I265 HydrophobicContact CD1-CD1 4.44Å; L50-I265 HydrophobicContact CD1-CG2 3.81Å; L50-I265 HydrophobicContact CD2-CD1 4.05Å; N261-I265 HydrophobicContact CB-CD1 4.48Å; N261-I265 VanDerWaalsContact O-CB 3.27Å; N261-I265 WeakPolarHBondContact O-CB 3.45Å; N261-I265 VanDerWaalsContact O-CD1 3.3Å; N261-I265 WeakPolarHBondContact O-CD1 3.26Å; N261-I265 WeakPolarHBondContact O-CG1 3.34Å; N261-I265 PolarHBondContact O-N 3.42Å; T262-I265 PolarHBondContact O-N 3.2Å; V263-I265 VanDerWaalsContact C-N 3.34Å; V263-I265 PolarHBondContact O-N 3.15Å; I265-A268 PolarHBondContact O-N 3.07Å; I265-R269 WeakPolarHBondContact O-CB 3.31Å; I265-R269 PolarHBondContact O-N 3.45Å
266	L	43.4	Very low	40.9	Very low	50 Å²	50	62.1 Å²	62.1	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-66.9	-40.3	178.4	-147.4	101.9	0	0	0	111.4	M91 T262 V263 R269 C270	M91-L266 HydrophobicContact CB-CD2 4.25Å; M91-L266 HydrophobicContact CE-CD2 4.1Å; M91-L266 HydrophobicContact CG-CD2 4.06Å; T262-L266 WeakPolarHBondContact O-CB 3.11Å; T262-L266 PolarHBondContact O-N 3.11Å; V263-L266 PolarHBondContact O-N 3.45Å; L266-R269 CarbonylContact O-C 3.57Å; L266-R269 PolarHBondContact O-N 3.39Å; L266-C270 WeakPolarHBondContact O-CB 3.44Å; L266-C270 PolarHBondContact O-N 3.33Å; L266-C270 PolarHBondContact O-SG 2.79Å
267	L	47	Very low	41	Very low	33 Å²	33	61.8 Å²	61.8	17%	0.173	31%	0.305	C	S	.	.	H	α-helix	trans	-65.9	-43.5	173.5	-99.8	133.9	0	0	0	112.1	Y249 V263 Q264 R269 C270 L271	Y249-L267 HydrophobicContact CD1-CD1 3.54Å; Y249-L267 HydrophobicContact CE1-CD1 3.29Å; Y249-L267 HydrophobicContact CE1-CD2 3.95Å; Y249-L267 HydrophobicContact CE1-CG 4.27Å; Y249-L267 HydrophobicContact CG-CD1 4.44Å; V263-L267 HydrophobicContact CG1-CD1 3.9Å; V263-L267 WeakPolarHBondContact O-CB 3.44Å; V263-L267 PolarHBondContact O-N 2.83Å; Q264-L267 PolarHBondContact O-N 2.82Å; L267-R269 VanDerWaalsContact C-N 3.28Å; L267-R269 PolarHBondContact O-N 3.11Å; L267-C270 PolarHBondContact O-N 2.86Å; L267-L271 WeakPolarHBondContact O-CB 3.34Å; L267-L271 PolarHBondContact O-N 2.97Å
268	A	45.8	Very low	40.9	Very low	37 Å²	37	55.5 Å²	55.5	31%	0.306	28%	0.277	S	S	.	.	H	α-helix	trans	-58.9	-42.8	172.7	0	0	0	0	0	110.5	Q264 I265 L271 F272	Q264-A268 WeakPolarHBondContact O-CB 3.29Å; Q264-A268 PolarHBondContact O-N 2.81Å; I265-A268 PolarHBondContact O-N 3.07Å; A268-L271 CarbonylContact O-C 3.59Å; A268-L271 WeakPolarHBondContact O-CB 3.18Å; A268-L271 PolarHBondContact O-N 3.06Å; A268-F272 HydrophobicContact CB-CD2 4.46Å; A268-F272 HydrophobicContact CB-CE2 4.43Å; A268-F272 WeakPolarHBondContact O-CB 3.23Å; A268-F272 WeakPolarHBondContact O-CD2 3.32Å; A268-F272 WeakPolarHBondContact O-CG 3.3Å; A268-F272 PolarHBondContact O-N 3.23Å
269	R	44.9	Very low	41	Very low	52 Å²	52	50.9 Å²	50.9	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-69.3	-38.9	176.7	-165.4	162.8	174.8	155.7	-5.6	112.2	T46 I265 L266 L267 L271 F272 T273	T46-R269 PolarHBondContact O-NH1 3.48Å; I265-R269 WeakPolarHBondContact O-CB 3.31Å; I265-R269 PolarHBondContact O-N 3.45Å; L266-R269 CarbonylContact O-C 3.57Å; L266-R269 PolarHBondContact O-N 3.39Å; L267-R269 VanDerWaalsContact C-N 3.28Å; L267-R269 PolarHBondContact O-N 3.11Å; R269-L271 VanDerWaalsContact C-N 3.27Å; R269-L271 PolarHBondContact O-N 3.03Å; R269-F272 CarbonylContact O-C 3.58Å; R269-F272 PolarHBondContact O-N 2.92Å; R269-T273 VanDerWaalsContact O-CB 3.3Å; R269-T273 WeakPolarHBondContact O-CB 3.39Å; R269-T273 PolarHBondContact O-N 2.86Å; R269-T273 PolarHBondContact O-OG1 3.43Å
270	C	47	Very low	41	Very low	16 Å²	16	48.1 Å²	48.1	11%	0.108	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-41.9	170.5	-69	0	0	0	0	110.9	C88 L266 L267 T273 C274	C88-C270 PolarHBondContact SG-SG 3.46Å; L266-C270 WeakPolarHBondContact O-CB 3.44Å; L266-C270 PolarHBondContact O-N 3.33Å; L266-C270 PolarHBondContact O-SG 2.79Å; L267-C270 PolarHBondContact O-N 2.86Å; C270-T273 PolarHBondContact O-N 2.9Å; C270-C274 VanDerWaalsContact O-CB 3.28Å; C270-C274 WeakPolarHBondContact O-CB 3.33Å; C270-C274 PolarHBondContact O-N 3.17Å; C270-C274 PolarHBondContact O-SG 3.21Å
271	L	48.7	Very low	40.6	Very low	24 Å²	24	53.7 Å²	53.7	13%	0.126	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-47.4	176.6	-168.2	150.9	0	0	0	110.5	L148 L191 F196 L267 A268 R269 T273 M275	L148-L271 HydrophobicContact CD1-CD1 3.5Å; L148-L271 VanDerWaalsContact CD1-CD1 3.5Å; L148-L271 HydrophobicContact CD1-CG 3.69Å; L148-L271 HydrophobicContact CD2-CG 4.38Å; L191-L271 HydrophobicContact CD1-CD2 4.29Å; F196-L271 HydrophobicContact CZ-CD2 4.15Å; L267-L271 WeakPolarHBondContact O-CB 3.34Å; L267-L271 PolarHBondContact O-N 2.97Å; A268-L271 CarbonylContact O-C 3.59Å; A268-L271 WeakPolarHBondContact O-CB 3.18Å; A268-L271 PolarHBondContact O-N 3.06Å; R269-L271 VanDerWaalsContact C-N 3.27Å; R269-L271 PolarHBondContact O-N 3.03Å; L271-T273 PolarHBondContact O-N 3.12Å; L271-M275 VanDerWaalsContact O-CB 3.24Å; L271-M275 WeakPolarHBondContact O-CB 3.18Å; L271-M275 WeakPolarHBondContact O-CG 3.34Å; L271-M275 PolarHBondContact O-N 3.39Å
272	F	43.5	Very low	40.4	Very low	120 Å²	120	56.8 Å²	56.8	53%	0.526	28%	0.277	S	S	.	.	H	α-helix	trans	-66.6	-33	175.3	-77.3	-64	0	0	0	113.3	A268 R269 Y276	A268-F272 HydrophobicContact CB-CD2 4.46Å; A268-F272 HydrophobicContact CB-CE2 4.43Å; A268-F272 WeakPolarHBondContact O-CB 3.23Å; A268-F272 WeakPolarHBondContact O-CD2 3.32Å; A268-F272 WeakPolarHBondContact O-CG 3.3Å; A268-F272 PolarHBondContact O-N 3.23Å; R269-F272 CarbonylContact O-C 3.58Å; R269-F272 PolarHBondContact O-N 2.92Å; F272-Y276 VanDerWaalsContact O-CB 3.29Å; F272-Y276 WeakPolarHBondContact O-CB 3.35Å; F272-Y276 PolarHBondContact O-N 2.76Å
273	T	42.1	Very low	40.1	Very low	24 Å²	24	59 Å²	59	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-81.5	-37.4	179.5	-56.2	0	0	0	0	112.5	F83 R269 C270 L271 M275 Y276 H277	F83-T273 HydrophobicContact CD1-CG2 3.26Å; F83-T273 HydrophobicContact CE1-CG2 3.31Å; F83-T273 HydrophobicContact CG-CG2 4.1Å; F83-T273 HydrophobicContact CZ-CG2 4.2Å; R269-T273 VanDerWaalsContact O-CB 3.3Å; R269-T273 WeakPolarHBondContact O-CB 3.39Å; R269-T273 PolarHBondContact O-N 2.86Å; R269-T273 PolarHBondContact O-OG1 3.43Å; C270-T273 PolarHBondContact O-N 2.9Å; L271-T273 PolarHBondContact O-N 3.12Å; T273-M275 VanDerWaalsContact C-N 3.27Å; T273-Y276 PolarHBondContact O-N 2.96Å; T273-H277 PolarHBondContact O-CD2 3.2Å; T273-H277 PolarHBondContact O-N 3.06Å
274	C	42.4	Very low	39.4	Very low	14 Å²	14	62.1 Å²	62.1	10%	0.095	30%	0.302	C	S	.	.	H	α-helix	trans	-59.4	-45.7	167.5	-68.6	0	0	0	0	109.2	L148 F151 C270 Y276 H277 L278	L148-C274 HydrophobicContact CD2-CB 4.34Å; F151-C274 VanDerWaalsContact CE1-SG 3.59Å; C270-C274 VanDerWaalsContact O-CB 3.28Å; C270-C274 WeakPolarHBondContact O-CB 3.33Å; C270-C274 PolarHBondContact O-N 3.17Å; C270-C274 PolarHBondContact O-SG 3.21Å; C274-Y276 PolarHBondContact O-N 2.88Å; C274-H277 PolarHBondContact O-N 2.93Å; C274-L278 WeakPolarHBondContact O-CB 3.31Å; C274-L278 WeakPolarHBondContact O-CD1 3.48Å; C274-L278 WeakPolarHBondContact O-CG 3.47Å; C274-L278 PolarHBondContact O-N 3.39Å
275	M	41.3	Very low	38.7	Very low	8 Å²	8	66.7 Å²	66.7	4%	0.039	33%	0.325	C	S	.	.	H	α-helix	trans	-60.1	-45.3	172.7	-72.2	-71.2	-58.1	0	0	112.6	W187 L191 L271 T273 H277 L278 L279	W187-M275 HydrophobicContact CB-CE 3.65Å; W187-M275 HydrophobicContact CE3-CE 3.83Å; W187-M275 HydrophobicContact CE3-SD 3.92Å; W187-M275 HydrophobicContact CZ3-SD 4.49Å; L191-M275 HydrophobicContact CD1-CB 4.44Å; L191-M275 HydrophobicContact CD1-CE 3.11Å; L191-M275 HydrophobicContact CD1-CG 3.56Å; L191-M275 HydrophobicContact CD1-SD 3.6Å; L191-M275 VanDerWaalsContact CD1-SD 3.6Å; L191-M275 HydrophobicContact CD2-CE 4.38Å; L191-M275 HydrophobicContact CG-CE 3.66Å; L191-M275 HydrophobicContact CG-SD 4.34Å; L271-M275 VanDerWaalsContact O-CB 3.24Å; L271-M275 WeakPolarHBondContact O-CB 3.18Å; L271-M275 WeakPolarHBondContact O-CG 3.34Å; L271-M275 PolarHBondContact O-N 3.39Å; T273-M275 VanDerWaalsContact C-N 3.27Å; M275-H277 PolarHBondContact O-N 2.94Å; M275-L278 CarbonylContact O-C 3.5Å; M275-L278 PolarHBondContact O-N 3.05Å; M275-L278 VanDerWaalsContact O-N 3.16Å; M275-L279 HydrophobicContact CB-CD1 4.42Å; M275-L279 HydrophobicContact CE-CD1 4Å; M275-L279 VanDerWaalsContact O-CB 3.24Å; M275-L279 WeakPolarHBondContact O-CB 3.46Å; M275-L279 VanDerWaalsContact O-CD1 3.29Å; M275-L279 WeakPolarHBondContact O-CD1 3.16Å; M275-L279 WeakPolarHBondContact O-CG 3.43Å; M275-L279 PolarHBondContact O-N 2.85Å
276	Y	39.1	Very low	37.8	Very low	122 Å²	122	71.2 Å²	71.2	48%	0.478	35%	0.347	S	S	.	.	H	α-helix	trans	-59.9	-44.6	176.8	179.9	-102.6	0	0	0	111.5	F272 T273 C274 L278 L279 K280	F272-Y276 VanDerWaalsContact O-CB 3.29Å; F272-Y276 WeakPolarHBondContact O-CB 3.35Å; F272-Y276 PolarHBondContact O-N 2.76Å; T273-Y276 PolarHBondContact O-N 2.96Å; C274-Y276 PolarHBondContact O-N 2.88Å; Y276-L278 VanDerWaalsContact C-N 3.34Å; Y276-L278 PolarHBondContact O-N 2.98Å; Y276-L279 CarbonylContact O-C 3.34Å; Y276-L279 PolarHBondContact O-N 2.88Å; Y276-L279 VanDerWaalsContact O-N 3.08Å; Y276-K280 HydrophobicContact CD1-CD 4.14Å; Y276-K280 HydrophobicContact CD1-CG 4.47Å; Y276-K280 HydrophobicContact CE1-CD 3.46Å; Y276-K280 VanDerWaalsContact CE1-CD 3.46Å; Y276-K280 VanDerWaalsContact CE1-CE 3.45Å; Y276-K280 HydrophobicContact CE1-CG 3.87Å; Y276-K280 WeakPolarHBondContact O-CA 3.14Å; Y276-K280 VanDerWaalsContact O-CB 3.3Å; Y276-K280 WeakPolarHBondContact O-CB 3.38Å; Y276-K280 PolarHBondContact O-N 3.41Å; Y276-K280 VanDerWaalsContact OH-CE 3.3Å; Y276-K280 WeakPolarHBondContact OH-CE 3.47Å
277	H	39.3	Very low	37	Very low	80 Å²	80	79 Å²	79	37%	0.37	40%	0.396	S	S	.	.	H	α-helix	trans	-63.6	-37.9	174.3	-87	-67.6	0	0	0	112.8	T273 C274 M275 L279	T273-H277 PolarHBondContact O-CD2 3.2Å; T273-H277 PolarHBondContact O-N 3.06Å; C274-H277 PolarHBondContact O-N 2.93Å; M275-H277 PolarHBondContact O-N 2.94Å; H277-L279 PolarHBondContact O-N 2.97Å
278	L	35.1	Very low	36.5	Very low	23 Å²	23	81.3 Å²	81.3	12%	0.12	41%	0.408	C	S	.	.	H	α-helix	trans	-67.9	-18.2	174.2	-64.3	162.9	0	0	0	112.5	Y147 I173 L176 W187 C274 M275 Y276	Y147-L278 HydrophobicContact CE1-CD1 3.99Å; Y147-L278 WeakPolarHBondContact OH-CD2 3.29Å; I173-L278 HydrophobicContact CD1-CB 4.35Å; I173-L278 HydrophobicContact CD1-CD2 4.01Å; I173-L278 WeakPolarHBondContact CD1-O 3.33Å; I173-L278 HydrophobicContact CG1-CB 4.25Å; I173-L278 HydrophobicContact CG1-CD2 3.29Å; I173-L278 HydrophobicContact CG1-CG 4.36Å; L176-L278 HydrophobicContact CD2-CD1 4.45Å; W187-L278 HydrophobicContact CZ3-CB 4.2Å; W187-L278 HydrophobicContact CZ3-CD1 4.07Å; C274-L278 WeakPolarHBondContact O-CB 3.31Å; C274-L278 WeakPolarHBondContact O-CD1 3.48Å; C274-L278 WeakPolarHBondContact O-CG 3.47Å; C274-L278 PolarHBondContact O-N 3.39Å; M275-L278 CarbonylContact O-C 3.5Å; M275-L278 PolarHBondContact O-N 3.05Å; M275-L278 VanDerWaalsContact O-N 3.16Å; Y276-L278 VanDerWaalsContact C-N 3.34Å; Y276-L278 PolarHBondContact O-N 2.98Å
279	L	34.6	Very low	36	Very low	14 Å²	14	83.6 Å²	83.6	7%	0.073	41%	0.413	C	S	.	.	H	α-helix	trans	-112.4	-12.7	-174.4	-64.5	169.7	0	0	0	114	T184 T188 M275 Y276 H277 D281 R282 Y283	T184-L279 WeakPolarHBondContact O-CD2 3.1Å; T188-L279 HydrophobicContact CG2-CD1 3.6Å; M275-L279 HydrophobicContact CB-CD1 4.42Å; M275-L279 HydrophobicContact CE-CD1 4Å; M275-L279 VanDerWaalsContact O-CB 3.24Å; M275-L279 WeakPolarHBondContact O-CB 3.46Å; M275-L279 VanDerWaalsContact O-CD1 3.29Å; M275-L279 WeakPolarHBondContact O-CD1 3.16Å; M275-L279 WeakPolarHBondContact O-CG 3.43Å; M275-L279 PolarHBondContact O-N 2.85Å; Y276-L279 CarbonylContact O-C 3.34Å; Y276-L279 PolarHBondContact O-N 2.88Å; Y276-L279 VanDerWaalsContact O-N 3.08Å; H277-L279 PolarHBondContact O-N 2.97Å; L279-D281 VanDerWaalsContact C-N 3.29Å; L279-D281 PolarHBondContact O-N 3.33Å; L279-R282 PolarHBondContact O-N 3.33Å; L279-R282 VanDerWaalsContact O-N 3.1Å; L279-Y283 HydrophobicContact CB-CD2 4.05Å; L279-Y283 HydrophobicContact CB-CE2 4.17Å; L279-Y283 PolarHBondContact O-N 2.67Å
280	K	34.4	Very low	35.5	Very low	53 Å²	53	85.4 Å²	85.4	23%	0.23	43%	0.425	C	S	.	.	H	α-helix	trans	-64.8	-30.1	-168.2	-152.5	176.1	-178.6	171.9	0	113.5	Y276 R282	Y276-K280 HydrophobicContact CD1-CD 4.14Å; Y276-K280 HydrophobicContact CD1-CG 4.47Å; Y276-K280 HydrophobicContact CE1-CD 3.46Å; Y276-K280 VanDerWaalsContact CE1-CD 3.46Å; Y276-K280 VanDerWaalsContact CE1-CE 3.45Å; Y276-K280 HydrophobicContact CE1-CG 3.87Å; Y276-K280 WeakPolarHBondContact O-CA 3.14Å; Y276-K280 VanDerWaalsContact O-CB 3.3Å; Y276-K280 WeakPolarHBondContact O-CB 3.38Å; Y276-K280 PolarHBondContact O-N 3.41Å; Y276-K280 VanDerWaalsContact OH-CE 3.3Å; Y276-K280 WeakPolarHBondContact OH-CE 3.47Å; K280-R282 PolarHBondContact O-N 3.08Å; K280-R282 VanDerWaalsContact O-N 3.12Å
281	D	29.6	Very low	34.8	Very low	148 Å²	148	89.5 Å²	89.5	79%	0.791	44%	0.444	S	S	*	.	H	α-helix	trans	-70.6	-3	177.7	-76.9	-13.9	0	0	0	113.9	L279	L279-D281 VanDerWaalsContact C-N 3.29Å; L279-D281 PolarHBondContact O-N 3.33Å
282	R	31	Very low	34	Very low	150 Å²	150	93.6 Å²	93.6	57%	0.566	46%	0.463	S	S	*	.	H	α-helix	trans	-124.3	-15.2	177.1	-63.2	-163.7	-172.8	-169.6	4	115.8	L279 K280	L279-R282 PolarHBondContact O-N 3.33Å; L279-R282 VanDerWaalsContact O-N 3.1Å; K280-R282 PolarHBondContact O-N 3.08Å; K280-R282 VanDerWaalsContact O-N 3.12Å
283	Y	28.9	Very low	33.3	Very low	113 Å²	113	91.8 Å²	91.8	44%	0.443	46%	0.459	S	S	.	.	H	α-helix	trans	-90.9	-9.7	176.4	-80.2	-80.8	0	0	0	114	T188 L279 M285	T188-Y283 PolarHBondContact OG1-OH 2.91Å; L279-Y283 HydrophobicContact CB-CD2 4.05Å; L279-Y283 HydrophobicContact CB-CE2 4.17Å; L279-Y283 PolarHBondContact O-N 2.67Å; Y283-M285 PolarHBondContact O-N 3.07Å
284	S	26.8	Very low	32.7	Very low	96 Å²	96	96.6 Å²	96.6	67%	0.671	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-4.5	167.1	60	0	0	0	0	113.8
285	M	26.2	Very low	31.9	Very low	172 Å²	172	103 Å²	103	85%	0.847	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	3.7	176.1	-75.5	-135.6	152.5	0	0	113.9	Y283	Y283-M285 PolarHBondContact O-N 3.07Å
286	M	22.9	Very low	31.2	Very low	147 Å²	147	110.9 Å²	110.9	72%	0.724	55%	0.551	S	S	*	*			trans	-140.1	69.4	176.5	-67.6	-171.2	95.3	0	0	110.2
287	V	26.3	Very low	30.4	Very low	213 Å²	213	109.9 Å²	109.9	100%	1.291	56%	0.557	S	S	*	*			trans	171.7	0	144.4	167.3	0	0	0	0	107.1

Retrieved 287 of 287 residues in 78.5 ms (Link to these results)

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