A0A077Z668_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z668, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 551 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	34.7	Very low	28	Very low	250 Å²	250	149.7 Å²	149.7	100%	1.232	85%	0.848	S	S	*	*				0	93	0	-73.8	-178	175.3	0	0	107.5
2	Q	25.8	Very low	27.9	Very low	192 Å²	192	149.3 Å²	149.3	90%	0.897	84%	0.842	S	S	*	*			trans	-105.5	132.3	172.8	-89.2	174.7	-35	0	0	107
3	P	30	Very low	28.1	Very low	130 Å²	130	152.9 Å²	152.9	84%	0.844	85%	0.848	S	S	*	*			trans	-85.4	130.7	179.5	32.5	-28.5	0	0	0	110.5
4	E	24.7	Very low	28.3	Very low	188 Å²	188	157.1 Å²	157.1	88%	0.879	85%	0.846	S	S	*	*			trans	-81.8	155.3	166.2	-71.1	180	153.8	0	0	111.3
5	A	27.1	Very low	28.4	Very low	103 Å²	103	159.9 Å²	159.9	85%	0.851	85%	0.852	S	S	*	*			trans	73.1	107.3	160	0	0	0	0	0	119.3
6	A	26.3	Very low	28.4	Very low	86 Å²	86	152.7 Å²	152.7	71%	0.711	83%	0.827	S	S	*	*			trans	-149.3	92.6	139.1	0	0	0	0	0	109.7	T8	A6-T8 PolarHBondContact O-N 3.45Å; A6-T8 PolarHBondContact O-OG1 2.86Å
7	E	25.6	Very low	28.4	Very low	198 Å²	198	158.4 Å²	158.4	93%	0.925	83%	0.834	S	S	*	*			trans	-58.3	103.5	157	-71.4	177.1	156.1	0	0	107.8
8	T	30.8	Very low	28.8	Very low	117 Å²	117	153.3 Å²	153.3	72%	0.718	81%	0.808	S	S	*	*			trans	-100.3	83.8	173.5	6.8	0	0	0	0	108.7	A6 S10	A6-T8 PolarHBondContact O-N 3.45Å; A6-T8 PolarHBondContact O-OG1 2.86Å; T8-S10 PolarHBondContact O-N 2.89Å; T8-S10 VanDerWaalsContact O-N 3.14Å
9	D	25.3	Very low	29	Very low	173 Å²	173	150 Å²	150	93%	0.925	80%	0.796	S	S	*	*			trans	-75.6	75.8	159.8	-137.3	5.4	0	0	0	107
10	S	31	Very low	29.3	Very low	68 Å²	68	147.8 Å²	147.8	48%	0.476	78%	0.784	S	S	.	*			trans	-145.8	109.3	175.5	61.7	0	0	0	0	111.4	T8 D12	T8-S10 PolarHBondContact O-N 2.89Å; T8-S10 VanDerWaalsContact O-N 3.14Å; S10-D12 PolarHBondContact O-N 3.08Å
11	T	26.9	Very low	29.5	Very low	142 Å²	142	147.4 Å²	147.4	87%	0.871	78%	0.782	S	S	*	*			trans	-41.2	92.7	156.9	46.5	0	0	0	0	112.2
12	D	26.8	Very low	29.3	Very low	144 Å²	144	137.8 Å²	137.8	77%	0.77	74%	0.74	S	S	*	*			trans	-136.2	56.7	164.3	-85.5	-30.4	0	0	0	108.9	S10 Y14	S10-D12 PolarHBondContact O-N 3.08Å; D12-Y14 PolarHBondContact O-N 3.19Å
13	E	30.4	Very low	29.5	Very low	197 Å²	197	138.2 Å²	138.2	92%	0.921	74%	0.742	S	S	*	*			trans	-91.3	86.6	166.5	-75.9	-168.9	167.3	0	0	109.9
14	Y	31.6	Very low	29.5	Very low	211 Å²	211	135.9 Å²	135.9	83%	0.827	73%	0.728	S	S	*	*			trans	59.4	95.1	139.3	-125	-103.4	0	0	0	117.1	D12 G16	D12-Y14 PolarHBondContact O-N 3.19Å; Y14-G16 PolarHBondContact O-N 2.75Å
15	E	28.9	Very low	29.6	Very low	200 Å²	200	132.1 Å²	132.1	94%	0.935	71%	0.714	S	S	*	*			trans	-65	66.3	148.9	-75	-172.9	159.6	0	0	109.4	W17	E15-W17 PolarHBondContact O-N 3.18Å; E15-W17 VanDerWaalsContact O-N 3.16Å
16	G	29.2	Very low	29.8	Very low	44 Å²	44	132 Å²	132	45%	0.454	70%	0.699	S	S	.	*			trans	-69.3	108.6	165.9	0	0	0	0	0	107.8	Y14 D18	Y14-G16 PolarHBondContact O-N 2.75Å; G16-D18 PolarHBondContact O-N 3.38Å
17	W	28	Very low	29.9	Very low	250 Å²	250	132.1 Å²	132.1	95%	0.947	69%	0.687	S	S	*	*			trans	-30.6	110.1	165.2	-99.5	60.3	0	0	0	110.8	E15 P19	E15-W17 PolarHBondContact O-N 3.18Å; E15-W17 VanDerWaalsContact O-N 3.16Å; W17-P19 VanDerWaalsContact O-CD 3.26Å; W17-P19 WeakPolarHBondContact O-CD 3.23Å
18	D	36.5	Very low	30.3	Very low	67 Å²	67	127 Å²	127	36%	0.358	67%	0.672	S	S	.	*			trans	-79.9	111.8	174.4	-170.9	-3.8	0	0	0	107.3	G16 L20 D21	G16-D18 PolarHBondContact O-N 3.38Å; D18-L20 PolarHBondContact O-N 2.96Å; D18-L20 WeakPolarHBondContact OD1-CB 3.48Å; D18-L20 PolarHBondContact OD1-N 2.99Å; D18-D21 HydrophobicContact CB-CB 4.09Å; D18-D21 PolarHBondContact O-N 3.36Å; D18-D21 VanDerWaalsContact O-N 3.17Å
19	P	30.9	Very low	30.3	Very low	90 Å²	90	127.7 Å²	127.7	58%	0.584	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-13.5	174.3	-17.3	31.7	0	0	0	111.9	W17 S22	W17-P19 VanDerWaalsContact O-CD 3.26Å; W17-P19 WeakPolarHBondContact O-CD 3.23Å; P19-S22 PolarHBondContact O-OG 3.2Å
20	L	34.9	Very low	30.6	Very low	105 Å²	105	125.2 Å²	125.2	55%	0.55	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.7	5.7	-177.6	-57.3	167.2	0	0	0	114.2	D18	D18-L20 PolarHBondContact O-N 2.96Å; D18-L20 WeakPolarHBondContact OD1-CB 3.48Å; D18-L20 PolarHBondContact OD1-N 2.99Å
21	D	33.9	Very low	30.5	Very low	141 Å²	141	125.1 Å²	125.1	75%	0.754	65%	0.65	S	S	*	*	S	Bend	trans	-81.3	-5.6	163.8	-104.2	-12.3	0	0	0	112	D18	D18-D21 HydrophobicContact CB-CB 4.09Å; D18-D21 PolarHBondContact O-N 3.36Å; D18-D21 VanDerWaalsContact O-N 3.17Å
22	S	30	Very low	30.6	Very low	48 Å²	48	121.4 Å²	121.4	34%	0.336	63%	0.629	S	S	.	*	S	Bend	trans	-82.2	116.5	167.4	82.6	0	0	0	0	108.6	P19 S24	P19-S22 PolarHBondContact O-OG 3.2Å; S22-S24 WeakPolarHBondContact CB-OG 3.14Å; S22-S24 PolarHBondContact O-N 3.46Å; S22-S24 PolarHBondContact OG-OG 3.23Å
23	E	31.9	Very low	30.7	Very low	201 Å²	201	117 Å²	117	94%	0.939	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	7.5	169.8	-68.7	-171.2	146.7	0	0	112.9
24	S	29.3	Very low	30.6	Very low	80 Å²	80	115.1 Å²	115.1	56%	0.559	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-9.5	-168.8	44.1	0	0	0	0	116.2	S22 L26	S22-S24 WeakPolarHBondContact CB-OG 3.14Å; S22-S24 PolarHBondContact O-N 3.46Å; S22-S24 PolarHBondContact OG-OG 3.23Å; S24-L26 PolarHBondContact O-N 2.95Å
25	D	27	Very low	30.4	Very low	109 Å²	109	109.5 Å²	109.5	58%	0.583	59%	0.586	S	S	*	*			trans	-97.1	23.6	-179.2	-76.3	-1.2	0	0	0	114	D27	D25-D27 PolarHBondContact O-N 2.92Å
26	L	31.1	Very low	30.3	Very low	102 Å²	102	101.9 Å²	101.9	53%	0.534	56%	0.561	S	S	.	*	S	Bend	trans	-77.4	99.9	152.9	-87.1	159.8	0	0	0	106.6	S24 P28 M31	S24-L26 PolarHBondContact O-N 2.95Å; L26-P28 WeakPolarHBondContact O-CD 3.26Å; L26-M31 HydrophobicContact CB-CG 4.23Å
27	D	29.2	Very low	30.2	Very low	88 Å²	88	104.4 Å²	104.4	47%	0.471	56%	0.564	S	S	.	*			trans	-26.1	105.4	173.9	-171.1	-4.3	0	0	0	111.1	D25 D29 L30 M31	D25-D27 PolarHBondContact O-N 2.92Å; D27-D29 PolarHBondContact O-N 2.91Å; D27-D29 PolarHBondContact OD1-N 2.98Å; D27-L30 HydrophobicContact CB-CB 4.22Å; D27-L30 HydrophobicContact CB-CD1 4.35Å; D27-L30 WeakPolarHBondContact O-CB 3.36Å; D27-L30 PolarHBondContact O-N 3.43Å; D27-M31 PolarHBondContact O-N 3.49Å
28	P	33.7	Very low	30.4	Very low	91 Å²	91	96.8 Å²	96.8	59%	0.591	54%	0.541	S	S	*	.	H	α-helix	trans	-61.2	-17.8	-171.5	19.2	-28.8	0	0	0	111.7	L26 S32	L26-P28 WeakPolarHBondContact O-CD 3.26Å; P28-S32 WeakPolarHBondContact O-CA 3.24Å; P28-S32 WeakPolarHBondContact O-CB 3.33Å; P28-S32 PolarHBondContact O-N 2.91Å; P28-S32 PolarHBondContact O-OG 3.41Å; P28-S32 VanDerWaalsContact O-OG 3.11Å
29	D	29.3	Very low	30	Very low	130 Å²	130	97 Å²	97	70%	0.695	55%	0.548	S	S	*	.	H	α-helix	trans	-79.9	-28.4	173.2	-75	-24.1	0	0	0	114	D27 M31 S32	D27-D29 PolarHBondContact O-N 2.91Å; D27-D29 PolarHBondContact OD1-N 2.98Å; D29-M31 VanDerWaalsContact C-N 3.31Å; D29-S32 WeakPolarHBondContact CA-OG 3.34Å; D29-S32 PolarHBondContact O-OG 2.78Å
30	L	32.3	Very low	29.9	Very low	121 Å²	121	95.1 Å²	95.1	63%	0.634	54%	0.537	S	S	*	.	H	α-helix	trans	-73.7	-26.4	169.6	-110.5	102.6	0	0	0	112.1	D27	D27-L30 HydrophobicContact CB-CB 4.22Å; D27-L30 HydrophobicContact CB-CD1 4.35Å; D27-L30 WeakPolarHBondContact O-CB 3.36Å; D27-L30 PolarHBondContact O-N 3.43Å
31	M	29.5	Very low	29.8	Very low	67 Å²	67	93.6 Å²	93.6	33%	0.33	53%	0.532	S	S	.	.	H	α-helix	trans	-93.1	-28.4	177.1	-78.5	-90.7	52.1	0	0	113.4	L26 D27 D29 W34 L35	L26-M31 HydrophobicContact CB-CG 4.23Å; D27-M31 PolarHBondContact O-N 3.49Å; D29-M31 VanDerWaalsContact C-N 3.31Å; M31-W34 HydrophobicContact CE-CB 4.44Å; M31-W34 PolarHBondContact O-N 2.81Å; M31-L35 HydrophobicContact CB-CD1 3.83Å; M31-L35 HydrophobicContact CB-CG 4.46Å; M31-L35 HydrophobicContact CE-CD1 4.38Å; M31-L35 HydrophobicContact CE-CG 3.98Å; M31-L35 WeakPolarHBondContact O-CB 3.43Å; M31-L35 VanDerWaalsContact O-CG 3.28Å; M31-L35 WeakPolarHBondContact O-CG 3.44Å; M31-L35 PolarHBondContact O-N 2.76Å; M31-L35 HydrophobicContact SD-CD1 4.48Å
32	S	28.4	Very low	29.6	Very low	63 Å²	63	90.7 Å²	90.7	44%	0.441	52%	0.523	S	S	.	.	H	α-helix	trans	-68.6	-37.7	-179.1	64.2	0	0	0	0	112.2	P28 D29 W34 G36	P28-S32 WeakPolarHBondContact O-CA 3.24Å; P28-S32 WeakPolarHBondContact O-CB 3.33Å; P28-S32 PolarHBondContact O-N 2.91Å; P28-S32 PolarHBondContact O-OG 3.41Å; P28-S32 VanDerWaalsContact O-OG 3.11Å; D29-S32 WeakPolarHBondContact CA-OG 3.34Å; D29-S32 PolarHBondContact O-OG 2.78Å; S32-W34 PolarHBondContact O-N 2.9Å; S32-G36 PolarHBondContact O-N 3.4Å
33	G	28.9	Very low	29.8	Very low	51 Å²	51	91.3 Å²	91.3	53%	0.526	53%	0.527	S	S	.	.	H	α-helix	trans	-64.2	-21.4	174.6	0	0	0	0	0	114.6
34	W	28.7	Very low	29.8	Very low	158 Å²	158	88.3 Å²	88.3	60%	0.598	51%	0.511	S	S	*	.	H	α-helix	trans	-115.8	-25.5	-177.7	-92.2	66.2	0	0	0	114.5	M31 S32 G36 L37 N38 Q348	M31-W34 HydrophobicContact CE-CB 4.44Å; M31-W34 PolarHBondContact O-N 2.81Å; S32-W34 PolarHBondContact O-N 2.9Å; W34-G36 VanDerWaalsContact C-N 3.26Å; W34-L37 PolarHBondContact O-N 3.16Å; W34-N38 PolarHBondContact O-N 3.29Å; W34-Q348 VanDerWaalsContact CZ3-NE2 3.33Å
35	L	26.5	Very low	30	Very low	94 Å²	94	88.7 Å²	88.7	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-69.1	-26.4	167.3	-75.7	166.2	0	0	0	111.4	M31 L37 N38 S39	M31-L35 HydrophobicContact CB-CD1 3.83Å; M31-L35 HydrophobicContact CB-CG 4.46Å; M31-L35 HydrophobicContact CE-CD1 4.38Å; M31-L35 HydrophobicContact CE-CG 3.98Å; M31-L35 WeakPolarHBondContact O-CB 3.43Å; M31-L35 VanDerWaalsContact O-CG 3.28Å; M31-L35 WeakPolarHBondContact O-CG 3.44Å; M31-L35 PolarHBondContact O-N 2.76Å; M31-L35 HydrophobicContact SD-CD1 4.48Å; L35-L37 PolarHBondContact O-N 2.86Å; L35-N38 PolarHBondContact O-N 3Å; L35-S39 WeakPolarHBondContact O-CB 3.15Å; L35-S39 PolarHBondContact O-N 2.87Å; L35-S39 PolarHBondContact O-OG 2.94Å
36	G	27.4	Very low	30.3	Very low	39 Å²	39	91.2 Å²	91.2	40%	0.402	51%	0.508	S	S	.	.	H	α-helix	trans	-59.8	-26	168.6	0	0	0	0	0	113.7	S32 W34 S39 S40	S32-G36 PolarHBondContact O-N 3.4Å; W34-G36 VanDerWaalsContact C-N 3.26Å; G36-S39 PolarHBondContact O-OG 2.8Å; G36-S40 WeakPolarHBondContact O-CB 3.46Å; G36-S40 PolarHBondContact O-N 3.29Å; G36-S40 PolarHBondContact O-OG 3.33Å
37	L	27.2	Very low	30.4	Very low	98 Å²	98	93.2 Å²	93.2	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-88.7	-34.6	178.1	-75.9	164.2	0	0	0	113.3	W34 L35 S40 V41	W34-L37 PolarHBondContact O-N 3.16Å; L35-L37 PolarHBondContact O-N 2.86Å; L37-S40 WeakPolarHBondContact CA-OG 3.24Å; L37-S40 PolarHBondContact O-OG 2.93Å; L37-S40 VanDerWaalsContact O-OG 3.07Å; L37-V41 WeakPolarHBondContact O-CB 3.18Å; L37-V41 WeakPolarHBondContact O-CG2 3.27Å; L37-V41 PolarHBondContact O-N 3.12Å
38	N	31.5	Very low	30.6	Very low	89 Å²	89	91.7 Å²	91.7	48%	0.476	51%	0.506	S	S	.	.	H	α-helix	trans	-78.8	-34.1	177.2	-82	-23.7	0	0	0	113.1	W34 L35 S42	W34-N38 PolarHBondContact O-N 3.29Å; L35-N38 PolarHBondContact O-N 3Å; N38-S42 VanDerWaalsContact O-CB 3.31Å; N38-S42 WeakPolarHBondContact O-CB 3.22Å; N38-S42 PolarHBondContact O-N 3.48Å; N38-S42 PolarHBondContact O-OG 3.29Å; N38-S42 VanDerWaalsContact O-OG 3.08Å
39	S	28.6	Very low	30.5	Very low	72 Å²	72	91.2 Å²	91.2	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-68.7	-40.2	170.8	60.5	0	0	0	0	111	L35 G36 S43	L35-S39 WeakPolarHBondContact O-CB 3.15Å; L35-S39 PolarHBondContact O-N 2.87Å; L35-S39 PolarHBondContact O-OG 2.94Å; G36-S39 PolarHBondContact O-OG 2.8Å; S39-S43 WeakPolarHBondContact O-CA 3.25Å; S39-S43 WeakPolarHBondContact O-CB 3.3Å; S39-S43 PolarHBondContact O-N 3.46Å; S39-S43 PolarHBondContact O-OG 3.03Å; S39-S43 VanDerWaalsContact O-OG 3.06Å
40	S	29.6	Very low	30.7	Very low	50 Å²	50	88.9 Å²	88.9	35%	0.35	49%	0.486	S	S	.	.	H	α-helix	trans	-69.2	-38.5	176.1	59.5	0	0	0	0	113	G36 L37 S43 F44	G36-S40 WeakPolarHBondContact O-CB 3.46Å; G36-S40 PolarHBondContact O-N 3.29Å; G36-S40 PolarHBondContact O-OG 3.33Å; L37-S40 WeakPolarHBondContact CA-OG 3.24Å; L37-S40 PolarHBondContact O-OG 2.93Å; L37-S40 VanDerWaalsContact O-OG 3.07Å; S40-S43 PolarHBondContact O-OG 2.8Å; S40-F44 WeakPolarHBondContact O-CA 3.4Å; S40-F44 WeakPolarHBondContact O-CB 3.11Å; S40-F44 PolarHBondContact O-N 3.14Å
41	V	30.8	Very low	30.6	Very low	74 Å²	74	86.9 Å²	86.9	45%	0.448	48%	0.479	S	S	.	.	H	α-helix	trans	-70.7	-39.4	175.5	172.9	0	0	0	0	111.7	L37 F44 I45	L37-V41 WeakPolarHBondContact O-CB 3.18Å; L37-V41 WeakPolarHBondContact O-CG2 3.27Å; L37-V41 PolarHBondContact O-N 3.12Å; V41-F44 PolarHBondContact O-N 3.15Å; V41-I45 HydrophobicContact CG1-CD1 3.87Å; V41-I45 HydrophobicContact CG1-CG1 4.46Å; V41-I45 WeakPolarHBondContact O-CB 3.21Å; V41-I45 WeakPolarHBondContact O-CG1 3.5Å; V41-I45 PolarHBondContact O-N 3.34Å
42	S	30.8	Very low	30.6	Very low	79 Å²	79	88.6 Å²	88.6	55%	0.552	49%	0.489	S	S	*	.	H	α-helix	trans	-73.1	-36.6	175.9	-62.3	0	0	0	0	112.3	N38 F44 R46	N38-S42 VanDerWaalsContact O-CB 3.31Å; N38-S42 WeakPolarHBondContact O-CB 3.22Å; N38-S42 PolarHBondContact O-N 3.48Å; N38-S42 PolarHBondContact O-OG 3.29Å; N38-S42 VanDerWaalsContact O-OG 3.08Å; S42-F44 VanDerWaalsContact C-N 3.35Å; S42-R46 WeakPolarHBondContact O-CB 3.32Å; S42-R46 PolarHBondContact O-N 3.03Å
43	S	34.3	Very low	30.7	Very low	62 Å²	62	88.7 Å²	88.7	43%	0.434	49%	0.494	S	S	.	.	H	α-helix	trans	-72.8	-27.7	172.7	79.2	0	0	0	0	112.2	S39 S40 K47	S39-S43 WeakPolarHBondContact O-CA 3.25Å; S39-S43 WeakPolarHBondContact O-CB 3.3Å; S39-S43 PolarHBondContact O-N 3.46Å; S39-S43 PolarHBondContact O-OG 3.03Å; S39-S43 VanDerWaalsContact O-OG 3.06Å; S40-S43 PolarHBondContact O-OG 2.8Å; S43-K47 WeakPolarHBondContact O-CA 3.45Å; S43-K47 WeakPolarHBondContact O-CB 3.46Å; S43-K47 WeakPolarHBondContact O-CG 3.3Å; S43-K47 PolarHBondContact O-N 3.33Å
44	F	31.5	Very low	30.6	Very low	137 Å²	137	95.3 Å²	95.3	60%	0.601	50%	0.503	S	S	*	.	H	α-helix	trans	-76.4	-44.1	174.5	-179.6	-96.6	0	0	0	110.6	S40 V41 S42 R46 K47 V48	S40-F44 WeakPolarHBondContact O-CA 3.4Å; S40-F44 WeakPolarHBondContact O-CB 3.11Å; S40-F44 PolarHBondContact O-N 3.14Å; V41-F44 PolarHBondContact O-N 3.15Å; S42-F44 VanDerWaalsContact C-N 3.35Å; F44-R46 VanDerWaalsContact C-N 3.31Å; F44-R46 PolarHBondContact O-N 2.58Å; F44-K47 PolarHBondContact O-N 3.33Å; F44-V48 HydrophobicContact CD1-CG2 4.12Å; F44-V48 HydrophobicContact CD2-CG2 4.39Å; F44-V48 HydrophobicContact CE1-CG2 3.87Å; F44-V48 HydrophobicContact CE2-CG2 4.15Å; F44-V48 HydrophobicContact CG-CG2 4.37Å; F44-V48 HydrophobicContact CZ-CG2 3.88Å; F44-V48 VanDerWaalsContact O-CB 3.24Å; F44-V48 WeakPolarHBondContact O-CB 3.14Å; F44-V48 WeakPolarHBondContact O-CG2 3.23Å; F44-V48 PolarHBondContact O-N 3.15Å
45	I	32.8	Very low	30.7	Very low	89 Å²	89	92.3 Å²	92.3	46%	0.456	50%	0.502	S	S	.	.	H	α-helix	trans	-59.8	-46	170.7	-70.1	166.7	0	0	0	109.6	V41 V48 T49	V41-I45 HydrophobicContact CG1-CD1 3.87Å; V41-I45 HydrophobicContact CG1-CG1 4.46Å; V41-I45 WeakPolarHBondContact O-CB 3.21Å; V41-I45 WeakPolarHBondContact O-CG1 3.5Å; V41-I45 PolarHBondContact O-N 3.34Å; I45-V48 PolarHBondContact O-N 3.26Å; I45-T49 WeakPolarHBondContact O-CB 3.37Å; I45-T49 WeakPolarHBondContact O-CG2 3.48Å; I45-T49 PolarHBondContact O-N 3.46Å; I45-T49 PolarHBondContact O-OG1 2.83Å
46	R	33.6	Very low	30.8	Very low	162 Å²	162	94.6 Å²	94.6	61%	0.611	52%	0.515	S	S	*	.	H	α-helix	trans	-65.9	-39	176.3	-172.4	175.5	172.7	171	0.2	112.9	S42 F44 T49 E50	S42-R46 WeakPolarHBondContact O-CB 3.32Å; S42-R46 PolarHBondContact O-N 3.03Å; F44-R46 VanDerWaalsContact C-N 3.31Å; F44-R46 PolarHBondContact O-N 2.58Å; R46-T49 WeakPolarHBondContact CA-OG1 3.28Å; R46-T49 PolarHBondContact O-OG1 3.38Å; R46-E50 HydrophobicContact CG-CG 4.28Å; R46-E50 WeakPolarHBondContact CG-OE1 3.35Å; R46-E50 IonicContact CZ-OE1 3.47Å; R46-E50 IonicContact NE-OE1 3.63Å; R46-E50 PolarHBondContact NE-OE1 2.9Å; R46-E50 IonicContact NH2-OE1 3.44Å; R46-E50 WeakPolarHBondContact O-CA 3.32Å; R46-E50 WeakPolarHBondContact O-CB 3.44Å; R46-E50 VanDerWaalsContact O-CG 3.23Å; R46-E50 WeakPolarHBondContact O-CG 3.38Å; R46-E50 PolarHBondContact O-N 3.27Å
47	K	34.4	Very low	30.8	Very low	144 Å²	144	101.8 Å²	101.8	63%	0.626	54%	0.535	S	S	*	.	H	α-helix	trans	-67.1	-42.5	173.9	-95.4	-177.4	171.8	178.4	0	111.2	S43 F44 E50 T51	S43-K47 WeakPolarHBondContact O-CA 3.45Å; S43-K47 WeakPolarHBondContact O-CB 3.46Å; S43-K47 WeakPolarHBondContact O-CG 3.3Å; S43-K47 PolarHBondContact O-N 3.33Å; F44-K47 PolarHBondContact O-N 3.33Å; K47-E50 PolarHBondContact O-N 3.45Å; K47-T51 WeakPolarHBondContact O-CB 3.34Å; K47-T51 PolarHBondContact O-N 3.28Å; K47-T51 PolarHBondContact O-OG1 3.06Å
48	V	32	Very low	30.7	Very low	56 Å²	56	104.8 Å²	104.8	34%	0.339	55%	0.547	S	S	.	.	H	α-helix	trans	-66.9	-40.4	178.6	169.9	0	0	0	0	110.6	F44 I45 T51 N52	F44-V48 HydrophobicContact CD1-CG2 4.12Å; F44-V48 HydrophobicContact CD2-CG2 4.39Å; F44-V48 HydrophobicContact CE1-CG2 3.87Å; F44-V48 HydrophobicContact CE2-CG2 4.15Å; F44-V48 HydrophobicContact CG-CG2 4.37Å; F44-V48 HydrophobicContact CZ-CG2 3.88Å; F44-V48 VanDerWaalsContact O-CB 3.24Å; F44-V48 WeakPolarHBondContact O-CB 3.14Å; F44-V48 WeakPolarHBondContact O-CG2 3.23Å; F44-V48 PolarHBondContact O-N 3.15Å; I45-V48 PolarHBondContact O-N 3.26Å; V48-T51 WeakPolarHBondContact CA-OG1 3.26Å; V48-T51 PolarHBondContact O-OG1 2.81Å; V48-N52 VanDerWaalsContact O-CB 3.28Å; V48-N52 WeakPolarHBondContact O-CB 3.38Å; V48-N52 PolarHBondContact O-N 2.83Å; V48-N52 PolarHBondContact O-ND2 2.88Å
49	T	32	Very low	30.4	Very low	80 Å²	80	106.1 Å²	106.1	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-73.3	-34.7	173.2	52.2	0	0	0	0	112.9	I45 R46 A53	I45-T49 WeakPolarHBondContact O-CB 3.37Å; I45-T49 WeakPolarHBondContact O-CG2 3.48Å; I45-T49 PolarHBondContact O-N 3.46Å; I45-T49 PolarHBondContact O-OG1 2.83Å; R46-T49 WeakPolarHBondContact CA-OG1 3.28Å; R46-T49 PolarHBondContact O-OG1 3.38Å; T49-A53 WeakPolarHBondContact O-CB 3.31Å; T49-A53 PolarHBondContact O-N 3.11Å
50	E	33.3	Very low	30.2	Very low	82 Å²	82	106.9 Å²	106.9	38%	0.383	57%	0.573	S	S	.	*	H	α-helix	trans	-72	-35.3	173.8	-79.6	173.3	-177.5	0	0	112.5	R46 K47 A53 R54	R46-E50 HydrophobicContact CG-CG 4.28Å; R46-E50 WeakPolarHBondContact CG-OE1 3.35Å; R46-E50 IonicContact CZ-OE1 3.47Å; R46-E50 IonicContact NE-OE1 3.63Å; R46-E50 PolarHBondContact NE-OE1 2.9Å; R46-E50 IonicContact NH2-OE1 3.44Å; R46-E50 WeakPolarHBondContact O-CA 3.32Å; R46-E50 WeakPolarHBondContact O-CB 3.44Å; R46-E50 VanDerWaalsContact O-CG 3.23Å; R46-E50 WeakPolarHBondContact O-CG 3.38Å; R46-E50 PolarHBondContact O-N 3.27Å; K47-E50 PolarHBondContact O-N 3.45Å; E50-A53 PolarHBondContact O-N 3.45Å; E50-R54 VanDerWaalsContact O-CB 3.3Å; E50-R54 WeakPolarHBondContact O-CB 3.2Å; E50-R54 VanDerWaalsContact O-CG 3.31Å; E50-R54 WeakPolarHBondContact O-CG 3.4Å; E50-R54 PolarHBondContact O-N 3.45Å
51	T	31.1	Very low	29.9	Very low	79 Å²	79	111 Å²	111	49%	0.485	60%	0.601	S	S	.	*	H	α-helix	trans	-70.2	-38.7	172	40.8	0	0	0	0	111.3	K47 V48 A53 R54 T55	K47-T51 WeakPolarHBondContact O-CB 3.34Å; K47-T51 PolarHBondContact O-N 3.28Å; K47-T51 PolarHBondContact O-OG1 3.06Å; V48-T51 WeakPolarHBondContact CA-OG1 3.26Å; V48-T51 PolarHBondContact O-OG1 2.81Å; T51-A53 VanDerWaalsContact C-N 3.31Å; T51-A53 PolarHBondContact O-N 3.31Å; T51-R54 PolarHBondContact O-N 3.02Å; T51-T55 PolarHBondContact O-N 3.29Å; T51-T55 PolarHBondContact O-OG1 3.29Å
52	N	30.2	Very low	29.6	Very low	102 Å²	102	114 Å²	114	55%	0.545	61%	0.613	S	S	.	*	H	α-helix	trans	-70.7	-27.4	174.5	-71.4	-10.8	0	0	0	112.6	V48 T55	V48-N52 VanDerWaalsContact O-CB 3.28Å; V48-N52 WeakPolarHBondContact O-CB 3.38Å; V48-N52 PolarHBondContact O-N 2.83Å; V48-N52 PolarHBondContact O-ND2 2.88Å; N52-T55 WeakPolarHBondContact CA-OG1 3.32Å; N52-T55 PolarHBondContact O-OG1 3.28Å
53	A	28.9	Very low	29.3	Very low	66 Å²	66	116.1 Å²	116.1	55%	0.545	62%	0.618	S	S	.	*	H	α-helix	trans	-81.7	-20.7	172.3	0	0	0	0	0	113.2	T49 E50 T51	T49-A53 WeakPolarHBondContact O-CB 3.31Å; T49-A53 PolarHBondContact O-N 3.11Å; E50-A53 PolarHBondContact O-N 3.45Å; T51-A53 VanDerWaalsContact C-N 3.31Å; T51-A53 PolarHBondContact O-N 3.31Å
54	R	28.2	Very low	28.8	Very low	190 Å²	190	119.6 Å²	119.6	72%	0.717	64%	0.641	S	S	*	*	H	α-helix	trans	-87.6	-21.8	174.5	-80	-179.4	175.7	-174.4	-0.2	113.4	E50 T51 D56 K57	E50-R54 VanDerWaalsContact O-CB 3.3Å; E50-R54 WeakPolarHBondContact O-CB 3.2Å; E50-R54 VanDerWaalsContact O-CG 3.31Å; E50-R54 WeakPolarHBondContact O-CG 3.4Å; E50-R54 PolarHBondContact O-N 3.45Å; T51-R54 PolarHBondContact O-N 3.02Å; R54-D56 PolarHBondContact O-N 2.9Å; R54-K57 PolarHBondContact O-N 3.2Å; R54-K57 VanDerWaalsContact O-N 3.15Å
55	T	30	Very low	28.4	Very low	94 Å²	94	119 Å²	119	58%	0.577	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-11.8	171.8	37.3	0	0	0	0	114.1	T51 N52 K57	T51-T55 PolarHBondContact O-N 3.29Å; T51-T55 PolarHBondContact O-OG1 3.29Å; N52-T55 WeakPolarHBondContact CA-OG1 3.32Å; N52-T55 PolarHBondContact O-OG1 3.28Å; T55-K57 VanDerWaalsContact C-N 3.32Å
56	D	29.2	Very low	28	Very low	143 Å²	143	121 Å²	121	77%	0.765	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-0.6	172.8	-75.3	-25.3	0	0	0	114	R54	R54-D56 PolarHBondContact O-N 2.9Å
57	K	27	Very low	27.6	Very low	190 Å²	190	121.4 Å²	121.4	83%	0.826	68%	0.676	S	S	*	*	S	Bend	trans	-131.7	13.7	179.7	-73.2	-169.4	177.8	-177.7	0	116.1	R54 T55	R54-K57 PolarHBondContact O-N 3.2Å; R54-K57 VanDerWaalsContact O-N 3.15Å; T55-K57 VanDerWaalsContact C-N 3.32Å
58	Q	24.6	Very low	27.2	Very low	161 Å²	161	122.5 Å²	122.5	75%	0.752	68%	0.684	S	S	*	*			trans	-110.4	95.2	168.2	-85.1	-178.9	-25.9	0	0	111.1
59	S	26.2	Very low	26.8	Very low	117 Å²	117	128.7 Å²	128.7	82%	0.818	71%	0.706	S	S	*	*			trans	-51.2	135.4	151.1	50	0	0	0	0	110
60	A	23.2	Very low	26.9	Very low	87 Å²	87	129.8 Å²	129.8	72%	0.719	71%	0.714	S	S	*	*			trans	79.5	86.3	178	0	0	0	0	0	115.8
61	C	24.2	Very low	26.6	Very low	137 Å²	137	133.6 Å²	133.6	93%	0.926	74%	0.737	S	S	*	*			trans	-128.3	103.6	141.1	-141.2	0	0	0	0	107.7
62	I	24.3	Very low	26.5	Very low	138 Å²	138	134.2 Å²	134.2	71%	0.708	75%	0.751	S	S	*	*			trans	-77.1	136.8	176.6	-71	161.7	0	0	0	107.7
63	N	23.9	Very low	26.3	Very low	122 Å²	122	136.8 Å²	136.8	65%	0.652	77%	0.77	S	S	*	*			trans	50.7	105	157.6	-62.1	-2.1	0	0	0	119.7
64	C	24.1	Very low	26.2	Very low	136 Å²	136	137 Å²	137	92%	0.919	78%	0.778	S	S	*	*	S	Bend	trans	-142.4	26.4	151.3	-92.3	0	0	0	0	113
65	C	24	Very low	26.1	Very low	123 Å²	123	134.8 Å²	134.8	83%	0.831	79%	0.786	S	S	*	*			trans	-133.2	59.7	173.1	-72.2	0	0	0	0	110.5
66	D	23	Very low	25.9	Very low	132 Å²	132	135.6 Å²	135.6	71%	0.706	79%	0.792	S	S	*	*			trans	-141.9	87.4	166.4	-85	-37.9	0	0	0	108.7
67	I	26.6	Very low	25.7	Very low	170 Å²	170	133.7 Å²	133.7	87%	0.872	79%	0.791	S	S	*	*			trans	-140.7	85.5	159	-53.7	179.9	0	0	0	109.1
68	E	24.7	Very low	25.6	Very low	167 Å²	167	131.5 Å²	131.5	78%	0.78	79%	0.788	S	S	*	*			trans	-152.2	118.6	133.8	-76.5	-160.8	177.1	0	0	103.6
69	K	24.4	Very low	25.7	Very low	186 Å²	186	132.5 Å²	132.5	81%	0.809	80%	0.797	S	S	*	*				-174.4	178.1	50.6	-121.2	177.2	-169.1	170.5	0	109.9
70	P	34.6	Very low	25.6	Very low	103 Å²	103	131.1 Å²	131.1	67%	0.669	79%	0.788	S	S	*	*				-106.5	167.9	-120.1	41.8	-29.9	0	0	0	114.7
71	N	25.3	Very low	25.7	Very low	162 Å²	162	134.5 Å²	134.5	87%	0.866	79%	0.794	S	S	*	*			trans	169.9	117.6	139.7	-86	-20.9	0	0	0	112.3
72	A	29.5	Very low	25.8	Very low	93 Å²	93	133.6 Å²	133.6	77%	0.769	79%	0.789	S	S	*	*			trans	155.5	85	152.3	0	0	0	0	0	107.6
73	V	26.3	Very low	25.8	Very low	156 Å²	156	135.4 Å²	135.4	95%	0.945	80%	0.8	S	S	*	*				46.1	99.4	92.4	-171.7	0	0	0	0	112.5
74	G	26.3	Very low	25.9	Very low	70 Å²	70	133.2 Å²	133.2	72%	0.722	81%	0.807	S	S	*	*			trans	145.6	93.5	163.6	0	0	0	0	0	114.6
75	V	26.4	Very low	26	Very low	143 Å²	143	132.4 Å²	132.4	87%	0.867	80%	0.803	S	S	*	*			trans	93.8	99.3	162.5	-164.1	0	0	0	0	118
76	P	25.7	Very low	26	Very low	111 Å²	111	133.3 Å²	133.3	72%	0.721	81%	0.805	S	S	*	*			trans	-89.1	157.6	155.5	36.3	-27.3	0	0	0	109.8
77	S	26	Very low	26.1	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	81%	0.811	S	S	*	*				-178.9	140.8	79	26	0	0	0	0	112.3
78	D	23.3	Very low	26.1	Very low	144 Å²	144	126.5 Å²	126.5	77%	0.77	80%	0.795	S	S	*	*			trans	57.5	102.3	144.1	-62.9	-21	0	0	0	121.9
79	L	27.9	Very low	25.9	Very low	181 Å²	181	123.7 Å²	123.7	95%	0.948	79%	0.792	S	S	*	*				-131.4	104.6	116.6	-86.5	171.5	0	0	0	109.7
80	S	24.2	Very low	25.9	Very low	88 Å²	88	123.3 Å²	123.3	62%	0.615	79%	0.793	S	S	*	*			trans	-62.3	146.8	175.1	51.3	0	0	0	0	114.2
81	N	24	Very low	25.5	Very low	158 Å²	158	125.3 Å²	125.3	85%	0.845	80%	0.798	S	S	*	*			trans	71.1	80.2	153.1	-65.2	-8.8	0	0	0	119.3
82	S	27.1	Very low	25.5	Very low	119 Å²	119	122 Å²	122	83%	0.832	78%	0.777	S	S	*	*				-164.1	133	125.9	62.5	0	0	0	0	111.1	G84	S82-G84 PolarHBondContact O-N 2.78Å; S82-G84 VanDerWaalsContact O-N 3.11Å
83	N	25.4	Very low	25.3	Very low	175 Å²	175	123.3 Å²	123.3	94%	0.936	77%	0.77	S	S	*	*			trans	-33	105.3	176.8	-68.6	-23.1	0	0	0	114.8
84	G	24.2	Very low	25.2	Very low	77 Å²	77	122 Å²	122	79%	0.794	76%	0.757	S	S	*	*			trans	-85.4	111.6	167.9	0	0	0	0	0	110.9	S82	S82-G84 PolarHBondContact O-N 2.78Å; S82-G84 VanDerWaalsContact O-N 3.11Å
85	S	27	Very low	25.1	Very low	119 Å²	119	122.2 Å²	122.2	83%	0.832	75%	0.751	S	S	*	*			trans	-92.8	112.7	155.1	173.2	0	0	0	0	107.8	G87	S85-G87 PolarHBondContact O-N 3Å
86	T	24.2	Very low	25	Very low	142 Å²	142	122.9 Å²	122.9	87%	0.871	74%	0.743	S	S	*	*			trans	-62.9	116.9	172.7	39.9	0	0	0	0	110.8
87	G	25.1	Very low	24.9	Very low	81 Å²	81	121.3 Å²	121.3	84%	0.835	74%	0.735	S	S	*	*			trans	170	28.1	174.7	0	0	0	0	0	118.4	S85	S85-G87 PolarHBondContact O-N 3Å
88	S	25.3	Very low	25	Very low	78 Å²	78	121.8 Å²	121.8	55%	0.545	73%	0.733	S	S	.	*			trans	-134.8	109.7	163.2	79.7	0	0	0	0	111	E92	S88-E92 PolarHBondContact OG-OE2 3.17Å
89	C	22.3	Very low	25	Very low	107 Å²	107	120.3 Å²	120.3	72%	0.723	73%	0.733	S	S	*	*	S	Bend	trans	-150.3	2.2	159.5	-123.5	0	0	0	0	115.6
90	H	24.7	Very low	24.7	Very low	178 Å²	178	117.1 Å²	117.1	82%	0.824	73%	0.725	S	S	*	*	S	Bend	trans	-127.4	5.5	175	-78.8	-44.9	0	0	0	116.4
91	L	25.9	Very low	24.6	Very low	146 Å²	146	115.7 Å²	115.7	76%	0.764	73%	0.725	S	S	*	*	S	Bend	trans	-118.5	-11.2	175.6	-89	156.5	0	0	0	114.7
92	E	24.7	Very low	24.5	Very low	91 Å²	91	117.1 Å²	117.1	43%	0.425	73%	0.726	S	S	.	*	S	Bend	trans	-84	-16.6	-178.9	-119.9	-176.5	119.7	0	0	114.3	S88 L94 A95 K96	S88-E92 PolarHBondContact OG-OE2 3.17Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 3.39Å; E92-A95 PolarHBondContact O-N 2.98Å; E92-K96 IonicContact OE1-NZ 3.92Å; E92-K96 PolarHBondContact OE1-NZ 3.02Å
93	I	24.2	Very low	24.4	Very low	122 Å²	122	118.9 Å²	118.9	63%	0.626	73%	0.726	S	S	*	*	H	α-helix	trans	-73.8	-22	178.6	-62	174.8	0	0	0	111.6	S97	I93-S97 PolarHBondContact O-OG 3.16Å
94	L	24.7	Very low	24.3	Very low	129 Å²	129	115.6 Å²	115.6	68%	0.675	71%	0.714	S	S	*	*	H	α-helix	trans	-78.9	-21.6	177.1	-88.3	159	0	0	0	114	E92	E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 3.39Å
95	A	24.5	Very low	24.2	Very low	73 Å²	73	119.5 Å²	119.5	60%	0.603	72%	0.716	S	S	*	*	H	α-helix	trans	-94.4	-23.4	179.7	0	0	0	0	0	113.3	E92	E92-A95 PolarHBondContact O-N 2.98Å
96	K	23.5	Very low	24.1	Very low	157 Å²	157	122.4 Å²	122.4	68%	0.683	71%	0.714	S	S	*	*	H	α-helix	trans	-92.8	-18.9	-178.2	-82.6	173.8	174.7	160	0	114.8	E92	E92-K96 IonicContact OE1-NZ 3.92Å; E92-K96 PolarHBondContact OE1-NZ 3.02Å
97	S	25.6	Very low	24.1	Very low	79 Å²	79	119.1 Å²	119.1	55%	0.552	70%	0.697	S	S	*	*	S	Bend	trans	-91.7	-6	-173.1	54.8	0	0	0	0	116	I93	I93-S97 PolarHBondContact O-OG 3.16Å
98	T	27.4	Very low	24.1	Very low	114 Å²	114	121.3 Å²	121.3	70%	0.699	70%	0.697	S	S	*	*	S	Bend	trans	-110.4	3.1	-176.9	41.2	0	0	0	0	115.2
99	C	22.5	Very low	24.2	Very low	112 Å²	112	128.2 Å²	128.2	76%	0.757	71%	0.711	S	S	*	*			trans	-132.3	33.5	-176.1	-70.6	0	0	0	0	114	G101	C99-G101 PolarHBondContact O-N 2.94Å
100	S	21.5	Very low	24.4	Very low	114 Å²	114	131.3 Å²	131.3	80%	0.797	71%	0.712	S	S	*	*			trans	-86.8	89.5	171.4	57	0	0	0	0	110.6
101	G	22.7	Very low	24.4	Very low	59 Å²	59	130.2 Å²	130.2	61%	0.608	71%	0.711	S	S	*	*	S	Bend	trans	148.1	95.6	169.1	0	0	0	0	0	112.8	C99	C99-G101 PolarHBondContact O-N 2.94Å
102	H	21.8	Very low	24.2	Very low	188 Å²	188	128.1 Å²	128.1	87%	0.87	71%	0.709	S	S	*	*	S	Bend	trans	72.1	88.9	172.7	-58.4	-69.1	0	0	0	118
103	L	25	Very low	24.1	Very low	156 Å²	156	131.3 Å²	131.3	82%	0.817	73%	0.728	S	S	*	*			trans	-161.5	102.3	135.2	-99.6	163.4	0	0	0	107.4
104	P	22.9	Very low	24.1	Very low	105 Å²	105	132.6 Å²	132.6	68%	0.682	74%	0.736	S	S	*	*			trans	-74.3	146.3	175.7	32	-31	0	0	0	110.2
105	D	22.8	Very low	24	Very low	159 Å²	159	136 Å²	136	85%	0.85	75%	0.747	S	S	*	*			trans	48	86.7	161.5	-65.1	-21.6	0	0	0	118.5
106	F	24	Very low	23.9	Very low	180 Å²	180	134.8 Å²	134.8	79%	0.789	74%	0.743	S	S	*	*			trans	-120.9	97.3	153.7	-95.9	-91.3	0	0	0	110.4
107	S	25.8	Very low	23.9	Very low	74 Å²	74	131.2 Å²	131.2	52%	0.517	74%	0.742	S	S	.	*			trans	-63.4	146.1	171.4	79.9	0	0	0	0	111.2	R109	S107-R109 PolarHBondContact O-N 3.1Å
108	P	25.4	Very low	23.7	Very low	127 Å²	127	133 Å²	133	83%	0.825	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	4.9	-177.1	24.9	-32.5	0	0	0	115.1
109	R	26.4	Very low	23.4	Very low	223 Å²	223	133 Å²	133	84%	0.842	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	2.5	-176.9	-78.1	-174.3	172.9	-176.3	-1.4	116	S107	S107-R109 PolarHBondContact O-N 3.1Å
110	K	25.4	Very low	23.4	Very low	172 Å²	172	131.6 Å²	131.6	75%	0.748	75%	0.753	S	S	*	*			trans	-113.7	17.8	-178.1	-76.3	-170.3	176.8	179.4	0	116.4
111	L	25.7	Very low	23.5	Very low	154 Å²	154	131.3 Å²	131.3	81%	0.806	75%	0.748	S	S	*	*			trans	-91	14.3	179	-105.9	158.5	0	0	0	115.4
112	S	22.1	Very low	23.6	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	76%	0.761	S	S	*	*			trans	-93.7	15.2	-178.8	35.9	0	0	0	0	115.7
113	L	23	Very low	23.6	Very low	158 Å²	158	127.7 Å²	127.7	83%	0.827	75%	0.746	S	S	*	*			trans	-126	46.6	-177.9	-78.6	163.8	0	0	0	114.5
114	L	24.2	Very low	23.5	Very low	149 Å²	149	127.8 Å²	127.8	78%	0.78	75%	0.747	S	S	*	*			trans	-120.7	91	159.8	-92.5	158	0	0	0	109.2	G116	L114-G116 PolarHBondContact O-N 3.32Å
115	H	22.5	Very low	23.6	Very low	199 Å²	199	130.1 Å²	130.1	92%	0.921	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	117.8	169	-86.7	-46.7	0	0	0	110.1
116	G	22.1	Very low	23.7	Very low	49 Å²	49	131.8 Å²	131.8	51%	0.505	76%	0.756	S	S	.	*	T	Hydrogen-bonded Turn	trans	129.6	4.7	164.5	0	0	0	0	0	118	L114 R442	L114-G116 PolarHBondContact O-N 3.32Å; G116-R442 PolarHBondContact O-NH1 3.32Å
117	A	22.2	Very low	23.7	Very low	82 Å²	82	126.5 Å²	126.5	68%	0.678	75%	0.746	S	S	*	*	S	Bend	trans	-88.3	127.3	161.9	0	0	0	0	0	108.7	S119	A117-S119 PolarHBondContact O-N 3.37Å
118	P	22.9	Very low	23.5	Very low	117 Å²	117	128.7 Å²	128.7	76%	0.76	76%	0.758	S	S	*	*			trans	-64.4	111.1	171	26.7	-29.3	0	0	0	107.5	A120	P118-A120 PolarHBondContact O-N 3.13Å
119	S	20.6	Very low	23.6	Very low	114 Å²	114	129 Å²	129	80%	0.797	75%	0.752	S	S	*	*			trans	-63.2	75.9	151.6	49.3	0	0	0	0	107.4	A117 P121	A117-S119 PolarHBondContact O-N 3.37Å; S119-P121 WeakPolarHBondContact O-CD 3.44Å
120	A	23	Very low	23.6	Very low	82 Å²	82	124.5 Å²	124.5	68%	0.678	75%	0.745	S	S	*	*			trans	-69.4	113.8	153.5	0	0	0	0	0	104.4	P118	P118-A120 PolarHBondContact O-N 3.13Å
121	P	22.7	Very low	23.6	Very low	107 Å²	107	121.4 Å²	121.4	70%	0.695	75%	0.751	S	S	*	*			trans	-58.7	146.7	174.8	28.3	-31.7	0	0	0	107.1	S119 A123	S119-P121 WeakPolarHBondContact O-CD 3.44Å; P121-A123 PolarHBondContact O-N 2.92Å
122	A	24.5	Very low	23.6	Very low	106 Å²	106	121.5 Å²	121.5	88%	0.876	75%	0.753	S	S	*	*			trans	-57.6	83	157.8	0	0	0	0	0	107.7	N124	A122-N124 PolarHBondContact O-N 3.31Å
123	A	22.2	Very low	23.8	Very low	66 Å²	66	120.1 Å²	120.1	55%	0.545	74%	0.74	S	S	.	*			trans	-87.4	98.9	168.8	0	0	0	0	0	105.9	P121 D125	P121-A123 PolarHBondContact O-N 2.92Å; A123-D125 VanDerWaalsContact C-N 3.33Å; A123-D125 PolarHBondContact O-N 2.89Å
124	N	23.5	Very low	24	Very low	157 Å²	157	115.7 Å²	115.7	84%	0.84	72%	0.722	S	S	*	*			trans	37.4	44.2	137.4	-68.8	-9.1	0	0	0	119.6	A122 Q126	A122-N124 PolarHBondContact O-N 3.31Å; N124-Q126 PolarHBondContact O-N 3.01Å
125	D	25.4	Very low	24.3	Very low	155 Å²	155	112.4 Å²	112.4	83%	0.829	71%	0.705	S	S	*	*			trans	-90.3	58.2	163.2	-74.1	-24.7	0	0	0	110.4	A123 A127	A123-D125 VanDerWaalsContact C-N 3.33Å; A123-D125 PolarHBondContact O-N 2.89Å; D125-A127 PolarHBondContact O-N 2.86Å
126	Q	23.4	Very low	24.5	Very low	194 Å²	194	104.4 Å²	104.4	91%	0.907	67%	0.673	S	S	*	*			trans	-85.2	65.4	139.5	-78.2	-158.4	0	0	0	107.2	N124	N124-Q126 PolarHBondContact O-N 3.01Å
127	A	23.9	Very low	24.9	Very low	68 Å²	68	103.5 Å²	103.5	56%	0.562	66%	0.657	S	S	*	*			trans	-84.1	121.3	159.1	0	0	0	0	0	106	D125 L129	D125-A127 PolarHBondContact O-N 2.86Å; A127-L129 PolarHBondContact O-N 2.97Å
128	P	22.7	Very low	25.1	Very low	120 Å²	120	102.1 Å²	102.1	78%	0.779	64%	0.641	S	S	*	*			trans	-56.1	119.4	170.5	23.6	-30.3	0	0	0	107.1	D130	P128-D130 PolarHBondContact O-N 3.25Å
129	L	27.8	Very low	25.5	Very low	133 Å²	133	97 Å²	97	70%	0.696	61%	0.607	S	S	*	*			trans	-63.2	107.2	169.4	-85.9	147.8	0	0	0	106.3	A127 A131 V133	A127-L129 PolarHBondContact O-N 2.97Å; L129-A131 PolarHBondContact O-N 3.28Å; L129-V133 HydrophobicContact CD2-CB 4.15Å; L129-V133 HydrophobicContact CD2-CG1 4.34Å
130	D	24.9	Very low	26	Very low	130 Å²	130	96.1 Å²	96.1	70%	0.695	59%	0.586	S	S	*	*			trans	-46.7	133.3	164	-81.6	-34.9	0	0	0	108.2	P128 D132 V133	P128-D130 PolarHBondContact O-N 3.25Å; D130-D132 PolarHBondContact O-N 3.32Å; D130-V133 PolarHBondContact O-N 3.11Å
131	A	26.6	Very low	26.4	Very low	106 Å²	106	96.6 Å²	96.6	88%	0.876	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-5.1	-169.8	0	0	0	0	0	115	L129	L129-A131 PolarHBondContact O-N 3.28Å
132	D	25.2	Very low	26.8	Very low	157 Å²	157	96.8 Å²	96.8	84%	0.84	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	4.4	-175.1	-64.9	-33	0	0	0	114.6	D130 S134	D130-D132 PolarHBondContact O-N 3.32Å; D132-S134 PolarHBondContact O-N 2.96Å; D132-S134 VanDerWaalsContact O-N 3.13Å
133	V	27.1	Very low	27.1	Very low	74 Å²	74	92.9 Å²	92.9	45%	0.448	53%	0.533	S	S	.	.			trans	-82.1	95.8	176.8	-174.1	0	0	0	0	110.8	L129 D130 L135 V137	L129-V133 HydrophobicContact CD2-CB 4.15Å; L129-V133 HydrophobicContact CD2-CG1 4.34Å; D130-V133 PolarHBondContact O-N 3.11Å; V133-L135 PolarHBondContact O-N 2.89Å; V133-V137 HydrophobicContact CG1-CB 4.39Å
134	S	26.8	Very low	27.6	Very low	65 Å²	65	93 Å²	93	46%	0.455	52%	0.522	S	S	.	.			trans	-47.5	125.5	174.2	170.3	0	0	0	0	112.6	D132 A136 V137	D132-S134 PolarHBondContact O-N 2.96Å; D132-S134 VanDerWaalsContact O-N 3.13Å; S134-A136 PolarHBondContact O-N 3.3Å; S134-A136 WeakPolarHBondContact OG-CB 3.38Å; S134-A136 PolarHBondContact OG-N 3.42Å; S134-V137 WeakPolarHBondContact O-CB 3.46Å; S134-V137 PolarHBondContact O-N 3.5Å
135	L	29.6	Very low	28.1	Very low	79 Å²	79	89.3 Å²	89.3	41%	0.414	51%	0.506	S	S	.	.	H	α-helix	trans	-47.6	-25.9	174.5	-164.8	73.9	0	0	0	113.4	V133 V137 V138 V139 E285	V133-L135 PolarHBondContact O-N 2.89Å; L135-V137 PolarHBondContact O-N 3.44Å; L135-V138 PolarHBondContact O-N 3.12Å; L135-V139 WeakPolarHBondContact O-CB 3.39Å; L135-V139 VanDerWaalsContact O-CG2 3.32Å; L135-V139 WeakPolarHBondContact O-CG2 3.46Å; L135-V139 PolarHBondContact O-N 3.41Å; L135-E285 HydrophobicContact CD2-CB 3.88Å; L135-E285 HydrophobicContact CD2-CG 4.17Å
136	A	27.2	Very low	28.3	Very low	31 Å²	31	84.7 Å²	84.7	26%	0.256	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-28.1	173.8	0	0	0	0	0	113.4	S134 R140 L286	S134-A136 PolarHBondContact O-N 3.3Å; S134-A136 WeakPolarHBondContact OG-CB 3.38Å; S134-A136 PolarHBondContact OG-N 3.42Å; A136-R140 WeakPolarHBondContact O-CB 3.5Å; A136-R140 PolarHBondContact O-N 3.38Å; A136-L286 HydrophobicContact CB-CD2 4.11Å
137	V	31.2	Very low	28.9	Very low	30 Å²	30	79 Å²	79	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-76.4	-42	177.5	179.7	0	0	0	0	111.1	V133 S134 L135 V139 R140 H141 V421 V425	V133-V137 HydrophobicContact CG1-CB 4.39Å; S134-V137 WeakPolarHBondContact O-CB 3.46Å; S134-V137 PolarHBondContact O-N 3.5Å; L135-V137 PolarHBondContact O-N 3.44Å; V137-V139 VanDerWaalsContact C-N 3.33Å; V137-R140 PolarHBondContact O-N 3.31Å; V137-H141 PolarHBondContact O-N 3.04Å; V137-V421 HydrophobicContact CG2-CG1 4.35Å; V137-V425 HydrophobicContact CG1-CG2 4.28Å
138	V	26.9	Very low	29.4	Very low	54 Å²	54	77.9 Å²	77.9	33%	0.327	45%	0.453	S	S	.	.	H	α-helix	trans	-64	-41.6	174.4	175.7	0	0	0	0	110.2	L135 H141 L142	L135-V138 PolarHBondContact O-N 3.12Å; V138-H141 PolarHBondContact O-N 3.35Å; V138-L142 HydrophobicContact CG1-CD1 3.61Å; V138-L142 HydrophobicContact CG1-CG 4.41Å; V138-L142 WeakPolarHBondContact O-CB 3.35Å; V138-L142 PolarHBondContact O-N 3.11Å
139	V	29.5	Very low	29.9	Very low	9 Å²	9	79.6 Å²	79.6	6%	0.055	44%	0.443	C	S	.	.	H	α-helix	trans	-62.8	-43.8	173.3	164.6	0	0	0	0	111.7	L135 V137 H141 L143 A282 L286	L135-V139 WeakPolarHBondContact O-CB 3.39Å; L135-V139 VanDerWaalsContact O-CG2 3.32Å; L135-V139 WeakPolarHBondContact O-CG2 3.46Å; L135-V139 PolarHBondContact O-N 3.41Å; V137-V139 VanDerWaalsContact C-N 3.33Å; V139-H141 VanDerWaalsContact C-N 3.28Å; V139-H141 PolarHBondContact O-N 3.41Å; V139-L143 HydrophobicContact CG1-CD1 3.54Å; V139-L143 HydrophobicContact CG1-CG 4.09Å; V139-L143 WeakPolarHBondContact O-CB 3.05Å; V139-L143 WeakPolarHBondContact O-CG 3.26Å; V139-L143 PolarHBondContact O-N 2.87Å; V139-A282 HydrophobicContact CB-CB 4.29Å; V139-A282 HydrophobicContact CG1-CB 3.38Å; V139-A282 HydrophobicContact CG2-CB 4.02Å; V139-L286 HydrophobicContact CG1-CD1 3.99Å; V139-L286 HydrophobicContact CG1-CG 4.5Å
140	R	31.6	Very low	30.1	Very low	96 Å²	96	79.2 Å²	79.2	36%	0.362	43%	0.433	S	S	.	.	H	α-helix	trans	-65.2	-29	177.6	-159.5	174.9	-171.5	119.4	15.6	112.7	A136 V137 F144 D409	A136-R140 WeakPolarHBondContact O-CB 3.5Å; A136-R140 PolarHBondContact O-N 3.38Å; V137-R140 PolarHBondContact O-N 3.31Å; R140-F144 HydrophobicContact CG-CD2 4.34Å; R140-F144 WeakPolarHBondContact O-CB 3.49Å; R140-F144 WeakPolarHBondContact O-CD2 3.33Å; R140-D409 IonicContact CZ-OD1 3.46Å; R140-D409 IonicContact NH1-OD1 3.83Å; R140-D409 IonicContact NH2-OD1 3.85Å; R140-D409 PolarHBondContact NH2-OD1 2.93Å; R140-D409 VanDerWaalsContact NH2-OD1 3.13Å
141	H	32.6	Very low	30.6	Very low	91 Å²	91	73.4 Å²	73.4	42%	0.421	40%	0.402	S	S	.	.	H	α-helix	trans	-90.4	-30.4	178.7	-75.3	-34.1	0	0	0	114.7	V137 V138 V139	V137-H141 PolarHBondContact O-N 3.04Å; V138-H141 PolarHBondContact O-N 3.35Å; V139-H141 VanDerWaalsContact C-N 3.28Å; V139-H141 PolarHBondContact O-N 3.41Å
142	L	30.3	Very low	31.1	Very low	111 Å²	111	69.7 Å²	69.7	58%	0.581	37%	0.367	S	S	*	.	H	α-helix	trans	-78.9	-26.7	173.3	-76.6	168.3	0	0	0	113.3	V138	V138-L142 HydrophobicContact CG1-CD1 3.61Å; V138-L142 HydrophobicContact CG1-CG 4.41Å; V138-L142 WeakPolarHBondContact O-CB 3.35Å; V138-L142 PolarHBondContact O-N 3.11Å
143	L	31.4	Very low	31.5	Very low	24 Å²	24	65.7 Å²	65.7	13%	0.126	35%	0.349	C	S	.	.	H	α-helix	trans	-84.4	-28.7	178.3	-71.5	-175.3	0	0	0	114.8	V139 P145 R278 I279 A282	V139-L143 HydrophobicContact CG1-CD1 3.54Å; V139-L143 HydrophobicContact CG1-CG 4.09Å; V139-L143 WeakPolarHBondContact O-CB 3.05Å; V139-L143 WeakPolarHBondContact O-CG 3.26Å; V139-L143 PolarHBondContact O-N 2.87Å; L143-P145 WeakPolarHBondContact O-CD 3.42Å; L143-R278 HydrophobicContact CD2-CB 3.71Å; L143-R278 VanDerWaalsContact CD2-O 3.29Å; L143-R278 WeakPolarHBondContact CD2-O 3.13Å; L143-I279 VanDerWaalsContact CD2-CA 3.44Å; L143-I279 HydrophobicContact CD2-CB 4.28Å; L143-I279 HydrophobicContact CD2-CG1 3.83Å; L143-I279 VanDerWaalsContact CD2-N 3.28Å; L143-A282 HydrophobicContact CD1-CB 3.43Å; L143-A282 VanDerWaalsContact CD1-CB 3.43Å; L143-A282 HydrophobicContact CD2-CB 3.79Å; L143-A282 HydrophobicContact CG-CB 3.77Å
144	F	31.6	Very low	31.8	Very low	69 Å²	69	62.2 Å²	62.2	30%	0.303	33%	0.328	S	S	.	.			trans	-122	89.7	-170.6	-66.3	-91.5	0	0	0	111.6	R140 A146 P148 L405	R140-F144 HydrophobicContact CG-CD2 4.34Å; R140-F144 WeakPolarHBondContact O-CB 3.49Å; R140-F144 WeakPolarHBondContact O-CD2 3.33Å; F144-A146 PolarHBondContact O-N 3.19Å; F144-P148 HydrophobicContact CD1-CG 4.45Å; F144-L405 HydrophobicContact CE1-CD1 4.43Å; F144-L405 HydrophobicContact CE1-CD2 4.01Å; F144-L405 HydrophobicContact CZ-CD2 3.74Å
145	P	33.5	Very low	32.3	Very low	80 Å²	80	59.4 Å²	59.4	52%	0.519	31%	0.308	S	S	.	.			trans	-60.1	125.7	151.4	26.8	-29	0	0	0	107	L143 N147	L143-P145 WeakPolarHBondContact O-CD 3.42Å; P145-N147 PolarHBondContact O-N 2.82Å; P145-N147 VanDerWaalsContact O-N 3.09Å
146	A	29.9	Very low	32.7	Very low	58 Å²	58	58.5 Å²	58.5	48%	0.479	31%	0.305	S	S	.	.	S	Bend	trans	-46	118.9	178.3	0	0	0	0	0	110.1	F144	F144-A146 PolarHBondContact O-N 3.19Å
147	N	35.8	Very low	33.2	Very low	74 Å²	74	60 Å²	60	40%	0.396	31%	0.313	S	S	.	.			trans	96.3	62.6	-177.3	-52.7	-51.3	0	0	0	117.5	P145 W149 R150	P145-N147 PolarHBondContact O-N 2.82Å; P145-N147 VanDerWaalsContact O-N 3.09Å; N147-W149 PolarHBondContact O-N 3.42Å; N147-R150 HydrophobicContact CB-CB 3.99Å; N147-R150 HydrophobicContact CB-CG 3.98Å; N147-R150 PolarHBondContact O-N 2.82Å
148	P	35.4	Very low	33.5	Very low	45 Å²	45	59.1 Å²	59.1	29%	0.292	31%	0.307	S	S	.	.	H	α-helix	trans	-57	-32.5	165.6	23.4	-32	0	0	0	112.5	F144 R150 S151 I152	F144-P148 HydrophobicContact CD1-CG 4.45Å; P148-R150 PolarHBondContact O-N 3.29Å; P148-S151 PolarHBondContact O-N 3.28Å; P148-I152 WeakPolarHBondContact O-CG1 3.32Å; P148-I152 PolarHBondContact O-N 3.24Å; P148-I152 VanDerWaalsContact O-N 3.17Å
149	W	33.5	Very low	34.3	Very low	155 Å²	155	57.1 Å²	57.1	59%	0.587	30%	0.295	S	S	*	.	H	α-helix	trans	-63.3	-36.8	177	-67.5	103.5	0	0	0	113.3	N147 S151 I152 V153	N147-W149 PolarHBondContact O-N 3.42Å; W149-S151 VanDerWaalsContact C-N 3.34Å; W149-S151 PolarHBondContact O-N 3.49Å; W149-I152 PolarHBondContact O-N 2.99Å; W149-V153 WeakPolarHBondContact O-CB 3.28Å; W149-V153 WeakPolarHBondContact O-CG2 3.18Å; W149-V153 PolarHBondContact O-N 3.41Å
150	R	31.3	Very low	34.7	Very low	126 Å²	126	59.3 Å²	59.3	48%	0.475	31%	0.311	S	S	.	.	H	α-helix	trans	-67.8	-32.8	179.5	-80	-175.3	174.5	174.8	-3.2	112.9	N147 P148 G154	N147-R150 HydrophobicContact CB-CB 3.99Å; N147-R150 HydrophobicContact CB-CG 3.98Å; N147-R150 PolarHBondContact O-N 2.82Å; P148-R150 PolarHBondContact O-N 3.29Å; R150-G154 PolarHBondContact O-N 2.83Å
151	S	35.9	Very low	35.1	Very low	7 Å²	7	58.2 Å²	58.2	5%	0.049	31%	0.311	C	S	.	.	H	α-helix	trans	-80.2	-36.3	178.7	-169.6	0	0	0	0	112.4	P148 W149 G154 V155 R275	P148-S151 PolarHBondContact O-N 3.28Å; W149-S151 VanDerWaalsContact C-N 3.34Å; W149-S151 PolarHBondContact O-N 3.49Å; S151-G154 PolarHBondContact O-N 3.04Å; S151-V155 VanDerWaalsContact O-CG2 3.24Å; S151-V155 WeakPolarHBondContact O-CG2 3.27Å; S151-V155 PolarHBondContact O-N 3.11Å; S151-R275 VanDerWaalsContact OG-CZ 3.29Å; S151-R275 PolarHBondContact OG-NH1 2.95Å; S151-R275 PolarHBondContact OG-NH2 3.5Å
152	I	36.2	Very low	35.3	Very low	28 Å²	28	54.1 Å²	54.1	14%	0.144	29%	0.293	C	S	.	.	H	α-helix	trans	-69.5	-46.7	175.1	-70.5	171	0	0	0	110.3	P148 W149 G154 V155 V156 V398 I401	P148-I152 WeakPolarHBondContact O-CG1 3.32Å; P148-I152 PolarHBondContact O-N 3.24Å; P148-I152 VanDerWaalsContact O-N 3.17Å; W149-I152 PolarHBondContact O-N 2.99Å; I152-G154 VanDerWaalsContact C-N 3.26Å; I152-G154 PolarHBondContact O-N 3.23Å; I152-V155 PolarHBondContact O-N 3.21Å; I152-V156 WeakPolarHBondContact O-CG2 3.41Å; I152-V156 PolarHBondContact O-N 2.72Å; I152-V398 HydrophobicContact CG2-CB 4.24Å; I152-V398 HydrophobicContact CG2-CG1 3.36Å; I152-V398 HydrophobicContact CG2-CG2 3.79Å; I152-I401 HydrophobicContact CD1-CG2 4.44Å
153	V	34.4	Very low	35.9	Very low	74 Å²	74	50.7 Å²	50.7	45%	0.448	28%	0.275	S	S	.	.	H	α-helix	trans	-59	-40.6	172.3	171.2	0	0	0	0	110.3	W149 V156 C157	W149-V153 WeakPolarHBondContact O-CB 3.28Å; W149-V153 WeakPolarHBondContact O-CG2 3.18Å; W149-V153 PolarHBondContact O-N 3.41Å; V153-V156 PolarHBondContact O-N 3.48Å; V153-C157 VanDerWaalsContact O-CB 3.27Å; V153-C157 WeakPolarHBondContact O-CB 3.42Å; V153-C157 PolarHBondContact O-N 3.22Å; V153-C157 PolarHBondContact O-SG 3Å
154	G	33.8	Very low	36.3	Very low	1 Å²	1	54.6 Å²	54.6	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-39.7	175	0	0	0	0	0	114	R150 S151 I152 C157 I158	R150-G154 PolarHBondContact O-N 2.83Å; S151-G154 PolarHBondContact O-N 3.04Å; I152-G154 VanDerWaalsContact C-N 3.26Å; I152-G154 PolarHBondContact O-N 3.23Å; G154-C157 PolarHBondContact O-N 2.98Å; G154-I158 WeakPolarHBondContact O-CB 3.47Å; G154-I158 VanDerWaalsContact O-CG1 3.3Å; G154-I158 WeakPolarHBondContact O-CG1 3.49Å; G154-I158 PolarHBondContact O-N 3Å
155	V	37.3	Very low	36.5	Very low	6 Å²	6	52.3 Å²	52.3	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-45.4	173.4	167.8	0	0	0	0	110.8	S151 I152 I158 L159 E268 M272 V394	S151-V155 VanDerWaalsContact O-CG2 3.24Å; S151-V155 WeakPolarHBondContact O-CG2 3.27Å; S151-V155 PolarHBondContact O-N 3.11Å; I152-V155 PolarHBondContact O-N 3.21Å; V155-I158 PolarHBondContact O-N 3.23Å; V155-L159 HydrophobicContact CG1-CD1 3.61Å; V155-L159 VanDerWaalsContact O-CB 3.32Å; V155-L159 WeakPolarHBondContact O-CB 3.4Å; V155-L159 WeakPolarHBondContact O-CD1 3.5Å; V155-L159 VanDerWaalsContact O-CG 3.3Å; V155-L159 WeakPolarHBondContact O-CG 3.47Å; V155-L159 PolarHBondContact O-N 3.17Å; V155-E268 HydrophobicContact CG2-CB 3.89Å; V155-E268 HydrophobicContact CG2-CG 3.87Å; V155-M272 HydrophobicContact CG1-CE 4.19Å; V155-M272 HydrophobicContact CG1-SD 4.26Å; V155-M272 HydrophobicContact CG2-SD 4.25Å; V155-V394 HydrophobicContact CG1-CG1 4.34Å
156	V	37.4	Very low	36.9	Very low	59 Å²	59	49.7 Å²	49.7	36%	0.358	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-42.4	175.3	173.2	0	0	0	0	110.9	I152 V153 L159 S160	I152-V156 WeakPolarHBondContact O-CG2 3.41Å; I152-V156 PolarHBondContact O-N 2.72Å; V153-V156 PolarHBondContact O-N 3.48Å; V156-L159 PolarHBondContact O-N 3.02Å; V156-S160 VanDerWaalsContact O-CB 3.27Å; V156-S160 WeakPolarHBondContact O-CB 3.31Å; V156-S160 PolarHBondContact O-N 3.28Å; V156-S160 PolarHBondContact O-OG 2.74Å
157	C	37.1	Very low	37.3	Very low	62 Å²	62	48 Å²	48	42%	0.419	26%	0.256	S	S	.	.	H	α-helix	trans	-64.7	-47.3	176	-78.3	0	0	0	0	112.2	V153 G154 L159 S160 I161	V153-C157 VanDerWaalsContact O-CB 3.27Å; V153-C157 WeakPolarHBondContact O-CB 3.42Å; V153-C157 PolarHBondContact O-N 3.22Å; V153-C157 PolarHBondContact O-SG 3Å; G154-C157 PolarHBondContact O-N 2.98Å; C157-L159 VanDerWaalsContact C-N 3.28Å; C157-L159 PolarHBondContact O-N 3.2Å; C157-S160 PolarHBondContact O-N 3.42Å; C157-I161 WeakPolarHBondContact O-CB 3.48Å; C157-I161 WeakPolarHBondContact O-CD1 3.36Å; C157-I161 WeakPolarHBondContact O-CG1 3.33Å; C157-I161 PolarHBondContact O-N 2.82Å
158	I	38.8	Very low	37.5	Very low	13 Å²	13	50 Å²	50	7%	0.067	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-44.2	176.1	-72.2	166	0	0	0	110.2	G154 V155 I161 A162 L261 E264 I265 E268 W439	G154-I158 WeakPolarHBondContact O-CB 3.47Å; G154-I158 VanDerWaalsContact O-CG1 3.3Å; G154-I158 WeakPolarHBondContact O-CG1 3.49Å; G154-I158 PolarHBondContact O-N 3Å; V155-I158 PolarHBondContact O-N 3.23Å; I158-I161 PolarHBondContact O-N 3.46Å; I158-A162 VanDerWaalsContact O-CB 3.31Å; I158-A162 WeakPolarHBondContact O-CB 3.15Å; I158-A162 PolarHBondContact O-N 3.45Å; I158-L261 HydrophobicContact CG2-CD2 4.23Å; I158-E264 HydrophobicContact CD1-CB 4.3Å; I158-E264 HydrophobicContact CG2-CB 4.26Å; I158-I265 HydrophobicContact CG2-CG1 3.97Å; I158-E268 HydrophobicContact CD1-CG 4.16Å; I158-W439 HydrophobicContact CD1-CH2 3.25Å; I158-W439 HydrophobicContact CD1-CZ2 4.24Å; I158-W439 HydrophobicContact CD1-CZ3 3.65Å; I158-W439 HydrophobicContact CG1-CH2 3.83Å; I158-W439 HydrophobicContact CG1-CZ3 4.2Å
159	L	42	Very low	37.6	Very low	11 Å²	11	50 Å²	50	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-71.5	-37.8	-178.1	-74.5	161.8	0	0	0	112.1	V155 V156 C157 A162 I163 I265 L390 V394	V155-L159 HydrophobicContact CG1-CD1 3.61Å; V155-L159 VanDerWaalsContact O-CB 3.32Å; V155-L159 WeakPolarHBondContact O-CB 3.4Å; V155-L159 WeakPolarHBondContact O-CD1 3.5Å; V155-L159 VanDerWaalsContact O-CG 3.3Å; V155-L159 WeakPolarHBondContact O-CG 3.47Å; V155-L159 PolarHBondContact O-N 3.17Å; V156-L159 PolarHBondContact O-N 3.02Å; C157-L159 VanDerWaalsContact C-N 3.28Å; C157-L159 PolarHBondContact O-N 3.2Å; L159-A162 WeakPolarHBondContact O-CB 3.37Å; L159-A162 PolarHBondContact O-N 2.94Å; L159-I163 WeakPolarHBondContact O-CB 3.22Å; L159-I163 WeakPolarHBondContact O-CD1 3.44Å; L159-I163 WeakPolarHBondContact O-CG1 3.19Å; L159-I163 PolarHBondContact O-N 2.89Å; L159-I265 HydrophobicContact CD2-CD1 3.65Å; L159-I265 HydrophobicContact CD2-CG1 3.84Å; L159-I265 HydrophobicContact CD2-CG2 4.49Å; L159-I265 HydrophobicContact CG-CG1 4.45Å; L159-L390 HydrophobicContact CD2-CD2 3.99Å; L159-L390 HydrophobicContact CD2-CG 4.46Å; L159-V394 HydrophobicContact CD1-CB 3.96Å; L159-V394 HydrophobicContact CD1-CG1 3.46Å; L159-V394 VanDerWaalsContact CD1-CG1 3.46Å; L159-V394 HydrophobicContact CD1-CG2 3.38Å; L159-V394 HydrophobicContact CD2-CG2 4.48Å
160	S	38.7	Very low	37.9	Very low	56 Å²	56	43.4 Å²	43.4	39%	0.392	23%	0.23	S	C	.	.	H	α-helix	trans	-63.6	-43.9	172	-66.5	0	0	0	0	111.6	V156 C157 A162 I163 I164	V156-S160 VanDerWaalsContact O-CB 3.27Å; V156-S160 WeakPolarHBondContact O-CB 3.31Å; V156-S160 PolarHBondContact O-N 3.28Å; V156-S160 PolarHBondContact O-OG 2.74Å; C157-S160 PolarHBondContact O-N 3.42Å; S160-A162 VanDerWaalsContact C-N 3.31Å; S160-A162 PolarHBondContact O-N 2.97Å; S160-I163 PolarHBondContact O-N 3.01Å; S160-I164 WeakPolarHBondContact O-CB 3.04Å; S160-I164 WeakPolarHBondContact O-CD1 3.32Å; S160-I164 WeakPolarHBondContact O-CG1 3.41Å; S160-I164 PolarHBondContact O-N 3.25Å
161	I	39.1	Very low	38.1	Very low	73 Å²	73	37.6 Å²	37.6	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-39.5	174	-67.1	164.3	0	0	0	110.4	C157 I158 I164 G165 L261	C157-I161 WeakPolarHBondContact O-CB 3.48Å; C157-I161 WeakPolarHBondContact O-CD1 3.36Å; C157-I161 WeakPolarHBondContact O-CG1 3.33Å; C157-I161 PolarHBondContact O-N 2.82Å; I158-I161 PolarHBondContact O-N 3.46Å; I161-I164 PolarHBondContact O-N 3.44Å; I161-G165 PolarHBondContact O-N 3.43Å; I161-L261 HydrophobicContact CG2-CD2 4.1Å
162	A	38.2	Very low	38.2	Very low	5 Å²	5	39.2 Å²	39.2	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-44.4	175.8	0	0	0	0	0	111.8	I158 L159 S160 G165 I166 L261 I265	I158-A162 VanDerWaalsContact O-CB 3.31Å; I158-A162 WeakPolarHBondContact O-CB 3.15Å; I158-A162 PolarHBondContact O-N 3.45Å; L159-A162 WeakPolarHBondContact O-CB 3.37Å; L159-A162 PolarHBondContact O-N 2.94Å; S160-A162 VanDerWaalsContact C-N 3.31Å; S160-A162 PolarHBondContact O-N 2.97Å; A162-G165 PolarHBondContact O-N 3.45Å; A162-I166 WeakPolarHBondContact O-CB 3.44Å; A162-I166 WeakPolarHBondContact O-CD1 3.46Å; A162-I166 WeakPolarHBondContact O-CG1 3.37Å; A162-I166 PolarHBondContact O-N 3.25Å; A162-L261 HydrophobicContact CB-CB 4.26Å; A162-L261 HydrophobicContact CB-CD1 4.18Å; A162-L261 HydrophobicContact CB-CD2 3.99Å; A162-L261 HydrophobicContact CB-CG 4.38Å; A162-I265 HydrophobicContact CB-CD1 4.13Å
163	I	41.9	Very low	38.2	Very low	38 Å²	38	41.8 Å²	41.8	20%	0.195	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-45.1	177.4	-69.5	163.6	0	0	0	110.2	L159 S160 I166 S167 A387	L159-I163 WeakPolarHBondContact O-CB 3.22Å; L159-I163 WeakPolarHBondContact O-CD1 3.44Å; L159-I163 WeakPolarHBondContact O-CG1 3.19Å; L159-I163 PolarHBondContact O-N 2.89Å; S160-I163 PolarHBondContact O-N 3.01Å; I163-I166 PolarHBondContact O-N 2.84Å; I163-S167 WeakPolarHBondContact O-CB 3.36Å; I163-S167 PolarHBondContact O-N 3.36Å; I163-S167 PolarHBondContact O-OG 3.02Å; I163-A387 HydrophobicContact CG1-CB 4.33Å; I163-A387 HydrophobicContact CG2-CB 4.37Å
164	I	40.6	Very low	38.2	Very low	107 Å²	107	40.8 Å²	40.8	55%	0.549	22%	0.215	S	C	.	.	H	α-helix	trans	-62.7	-44.9	176.2	-67.9	164.1	0	0	0	110.3	S160 I161 S167 Y168	S160-I164 WeakPolarHBondContact O-CB 3.04Å; S160-I164 WeakPolarHBondContact O-CD1 3.32Å; S160-I164 WeakPolarHBondContact O-CG1 3.41Å; S160-I164 PolarHBondContact O-N 3.25Å; I161-I164 PolarHBondContact O-N 3.44Å; I164-S167 CarbonylContact O-C 3.6Å; I164-S167 PolarHBondContact O-N 3.43Å; I164-Y168 VanDerWaalsContact O-CB 3.28Å; I164-Y168 WeakPolarHBondContact O-CB 3.38Å; I164-Y168 PolarHBondContact O-N 3.44Å
165	G	36.5	Very low	38.2	Very low	21 Å²	21	43.7 Å²	43.7	22%	0.216	24%	0.235	C	C	.	.	H	α-helix	trans	-64.5	-41.2	178.9	0	0	0	0	0	113.3	I161 A162 S167 Y169	I161-G165 PolarHBondContact O-N 3.43Å; A162-G165 PolarHBondContact O-N 3.45Å; G165-S167 VanDerWaalsContact C-N 3.33Å; G165-Y169 VanDerWaalsContact O-CB 3.32Å; G165-Y169 WeakPolarHBondContact O-CB 3.46Å; G165-Y169 PolarHBondContact O-N 3.33Å
166	I	41.9	Very low	37.9	Very low	25 Å²	25	45.1 Å²	45.1	13%	0.128	25%	0.252	C	S	.	.	H	α-helix	trans	-64	-41.4	172	-69.7	162.5	0	0	0	110.2	A162 I163 Y169 I170 L258 M383	A162-I166 WeakPolarHBondContact O-CB 3.44Å; A162-I166 WeakPolarHBondContact O-CD1 3.46Å; A162-I166 WeakPolarHBondContact O-CG1 3.37Å; A162-I166 PolarHBondContact O-N 3.25Å; I163-I166 PolarHBondContact O-N 2.84Å; I166-Y169 WeakPolarHBondContact O-CB 3.37Å; I166-Y169 PolarHBondContact O-N 3.42Å; I166-I170 HydrophobicContact CG2-CD1 3.96Å; I166-I170 WeakPolarHBondContact O-CD1 3.24Å; I166-I170 VanDerWaalsContact O-CG1 3.22Å; I166-I170 WeakPolarHBondContact O-CG1 3.28Å; I166-I170 PolarHBondContact O-N 2.98Å; I166-I170 VanDerWaalsContact O-N 3.14Å; I166-L258 HydrophobicContact CG1-CD1 3.61Å; I166-L258 HydrophobicContact CG1-CG 4.3Å; I166-M383 HydrophobicContact CG2-SD 4.39Å
167	S	38.1	Very low	37.8	Very low	21 Å²	21	49.2 Å²	49.2	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-67.8	-40.9	-179.1	-58.6	0	0	0	0	111.1	I163 I164 G165 I170 C171 L185	I163-S167 WeakPolarHBondContact O-CB 3.36Å; I163-S167 PolarHBondContact O-N 3.36Å; I163-S167 PolarHBondContact O-OG 3.02Å; I164-S167 CarbonylContact O-C 3.6Å; I164-S167 PolarHBondContact O-N 3.43Å; G165-S167 VanDerWaalsContact C-N 3.33Å; S167-I170 PolarHBondContact O-N 3.45Å; S167-C171 WeakPolarHBondContact O-CB 2.88Å; S167-C171 PolarHBondContact O-N 3.09Å; S167-C171 VanDerWaalsContact O-N 3.1Å; S167-L185 WeakPolarHBondContact O-CD1 3.42Å
168	Y	38.4	Very low	37.5	Very low	118 Å²	118	47.7 Å²	47.7	46%	0.463	25%	0.252	S	S	.	.	H	α-helix	trans	-67.6	-38.4	174.5	-169.3	-105.3	0	0	0	112.6	I164 I170 C171 I172	I164-Y168 VanDerWaalsContact O-CB 3.28Å; I164-Y168 WeakPolarHBondContact O-CB 3.38Å; I164-Y168 PolarHBondContact O-N 3.44Å; Y168-I170 VanDerWaalsContact C-N 3.33Å; Y168-I170 PolarHBondContact O-N 2.97Å; Y168-C171 VanDerWaalsContact O-CB 3.24Å; Y168-C171 WeakPolarHBondContact O-CB 2.89Å; Y168-C171 PolarHBondContact O-N 2.95Å; Y168-I172 HydrophobicContact CD1-CD1 3.67Å; Y168-I172 HydrophobicContact CE1-CD1 3.14Å; Y168-I172 HydrophobicContact CE1-CG1 4.21Å; Y168-I172 HydrophobicContact CE2-CD1 4.46Å; Y168-I172 PolarHBondContact O-N 3.11Å
169	Y	37.9	Very low	37.2	Very low	44 Å²	44	54.2 Å²	54.2	17%	0.173	30%	0.295	C	S	.	.	H	α-helix	trans	-55.5	-48.5	172.4	-178.7	-99.9	0	0	0	111.6	G165 I166 C171 I172 Y173 T251 Q254	G165-Y169 VanDerWaalsContact O-CB 3.32Å; G165-Y169 WeakPolarHBondContact O-CB 3.46Å; G165-Y169 PolarHBondContact O-N 3.33Å; I166-Y169 WeakPolarHBondContact O-CB 3.37Å; I166-Y169 PolarHBondContact O-N 3.42Å; Y169-C171 VanDerWaalsContact C-N 3.26Å; Y169-C171 PolarHBondContact O-N 3.44Å; Y169-I172 PolarHBondContact O-N 2.94Å; Y169-Y173 WeakPolarHBondContact O-CB 3.11Å; Y169-Y173 PolarHBondContact O-N 3.42Å; Y169-T251 HydrophobicContact CE2-CG2 3.83Å; Y169-T251 VanDerWaalsContact OH-CG2 3.32Å; Y169-T251 WeakPolarHBondContact OH-CG2 3.38Å; Y169-Q254 HydrophobicContact CD2-CB 3.31Å; Y169-Q254 HydrophobicContact CD2-CG 3.96Å; Y169-Q254 HydrophobicContact CE2-CB 3.65Å; Y169-Q254 HydrophobicContact CG-CB 4.49Å
170	I	40	Very low	36.8	Very low	16 Å²	16	58.5 Å²	58.5	8%	0.082	33%	0.327	C	S	.	.	H	α-helix	trans	-69.8	-32	-178.7	-54.8	157.8	0	0	0	110.7	I166 S167 Y168 Y173 Q174 H380 M383	I166-I170 HydrophobicContact CG2-CD1 3.96Å; I166-I170 WeakPolarHBondContact O-CD1 3.24Å; I166-I170 VanDerWaalsContact O-CG1 3.22Å; I166-I170 WeakPolarHBondContact O-CG1 3.28Å; I166-I170 PolarHBondContact O-N 2.98Å; I166-I170 VanDerWaalsContact O-N 3.14Å; S167-I170 PolarHBondContact O-N 3.45Å; Y168-I170 VanDerWaalsContact C-N 3.33Å; Y168-I170 PolarHBondContact O-N 2.97Å; I170-Y173 PolarHBondContact O-N 3.48Å; I170-Q174 WeakPolarHBondContact O-CG 2.89Å; I170-Q174 PolarHBondContact O-N 3.23Å; I170-Q174 VanDerWaalsContact O-N 3.12Å; I170-H380 VanDerWaalsContact CD1-ND1 3.31Å; I170-H380 WeakPolarHBondContact CD1-ND1 3.36Å; I170-H380 HydrophobicContact CG2-CB 4.08Å; I170-H380 WeakPolarHBondContact CG2-CE1 3.42Å; I170-H380 VanDerWaalsContact CG2-CG 3.49Å; I170-H380 WeakPolarHBondContact CG2-ND1 3.32Å; I170-M383 HydrophobicContact CD1-CB 3.82Å; I170-M383 HydrophobicContact CD1-CG 4.39Å; I170-M383 HydrophobicContact CD1-SD 3.72Å; I170-M383 HydrophobicContact CG1-SD 4.11Å
171	C	36.5	Very low	36.5	Very low	5 Å²	5	57.5 Å²	57.5	3%	0.034	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-49.9	174.6	-122.2	0	0	0	0	113	S167 Y168 Y169 Y173 Q174 S175 C183	S167-C171 WeakPolarHBondContact O-CB 2.88Å; S167-C171 PolarHBondContact O-N 3.09Å; S167-C171 VanDerWaalsContact O-N 3.1Å; Y168-C171 VanDerWaalsContact O-CB 3.24Å; Y168-C171 WeakPolarHBondContact O-CB 2.89Å; Y168-C171 PolarHBondContact O-N 2.95Å; Y169-C171 VanDerWaalsContact C-N 3.26Å; Y169-C171 PolarHBondContact O-N 3.44Å; C171-Y173 VanDerWaalsContact C-N 3.29Å; C171-Y173 PolarHBondContact O-N 2.92Å; C171-Q174 PolarHBondContact O-N 3.28Å; C171-Q174 VanDerWaalsContact O-N 3.11Å; C171-S175 PolarHBondContact O-N 2.84Å; C171-S175 PolarHBondContact O-OG 3.12Å; C171-C183 WeakPolarHBondContact CA-SG 3.35Å; C171-C183 HydrophobicContact CB-CB 4.33Å; C171-C183 WeakPolarHBondContact CB-SG 3.22Å; C171-C183 WeakPolarHBondContact SG-CA 3.06Å; C171-C183 WeakPolarHBondContact SG-CB 3.21Å; C171-C183 CovalentContact SG-SG 1.99Å; C171-C183 PolarHBondContact SG-SG 2.8Å
172	I	37.4	Very low	36.1	Very low	41 Å²	41	61.3 Å²	61.3	21%	0.21	34%	0.338	C	S	.	.	H	α-helix	trans	-64.4	-35.6	175.9	-76.1	169.4	0	0	0	111.7	Y168 Y169 Q174 S175 G176	Y168-I172 HydrophobicContact CD1-CD1 3.67Å; Y168-I172 HydrophobicContact CE1-CD1 3.14Å; Y168-I172 HydrophobicContact CE1-CG1 4.21Å; Y168-I172 HydrophobicContact CE2-CD1 4.46Å; Y168-I172 PolarHBondContact O-N 3.11Å; Y169-I172 PolarHBondContact O-N 2.94Å; I172-Q174 PolarHBondContact O-N 2.97Å; I172-S175 WeakPolarHBondContact CA-OG 3.37Å; I172-S175 PolarHBondContact O-N 3.39Å; I172-S175 PolarHBondContact O-OG 3.46Å; I172-G176 PolarHBondContact O-N 2.88Å
173	Y	35.4	Very low	35.7	Very low	82 Å²	82	62.4 Å²	62.4	32%	0.322	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-28.8	175.6	-161.3	-92	0	0	0	112.4	Y169 I170 C171 T251	Y169-Y173 WeakPolarHBondContact O-CB 3.11Å; Y169-Y173 PolarHBondContact O-N 3.42Å; I170-Y173 PolarHBondContact O-N 3.48Å; C171-Y173 VanDerWaalsContact C-N 3.29Å; C171-Y173 PolarHBondContact O-N 2.92Å; Y173-T251 HydrophobicContact CD2-CG2 4.22Å
174	Q	36.1	Very low	35.3	Very low	53 Å²	53	63.5 Å²	63.5	25%	0.248	35%	0.354	C	S	.	.	H	α-helix	trans	-80	-45.2	175.2	-75.7	-175.6	-20.3	0	0	112.8	I170 C171 I172 G176 R177 A178 A181	I170-Q174 WeakPolarHBondContact O-CG 2.89Å; I170-Q174 PolarHBondContact O-N 3.23Å; I170-Q174 VanDerWaalsContact O-N 3.12Å; C171-Q174 PolarHBondContact O-N 3.28Å; C171-Q174 VanDerWaalsContact O-N 3.11Å; I172-Q174 PolarHBondContact O-N 2.97Å; Q174-G176 VanDerWaalsContact C-N 3.28Å; Q174-G176 PolarHBondContact O-N 3.41Å; Q174-R177 PolarHBondContact O-N 3.18Å; Q174-R177 VanDerWaalsContact O-N 3.15Å; Q174-A178 PolarHBondContact O-N 3.14Å; Q174-A181 HydrophobicContact CB-CB 4.09Å
175	S	33	Very low	34.9	Very low	61 Å²	61	62.8 Å²	62.8	43%	0.427	35%	0.351	S	S	.	.	H	α-helix	trans	-68.1	-27.3	-179.9	58.5	0	0	0	0	113.1	C171 I172 R177	C171-S175 PolarHBondContact O-N 2.84Å; C171-S175 PolarHBondContact O-OG 3.12Å; I172-S175 WeakPolarHBondContact CA-OG 3.37Å; I172-S175 PolarHBondContact O-N 3.39Å; I172-S175 PolarHBondContact O-OG 3.46Å; S175-R177 PolarHBondContact O-N 3.41Å
176	G	31.5	Very low	34.5	Very low	37 Å²	37	66.2 Å²	66.2	38%	0.381	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.4	173.2	0	0	0	0	0	115.1	I172 Q174	I172-G176 PolarHBondContact O-N 2.88Å; Q174-G176 VanDerWaalsContact C-N 3.28Å; Q174-G176 PolarHBondContact O-N 3.41Å
177	R	34	Very low	33.7	Very low	144 Å²	144	71 Å²	71	54%	0.543	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-13.9	-177.9	-80.8	-178.1	169.2	-164.4	-8.3	114.3	Q174 S175 E372	Q174-R177 PolarHBondContact O-N 3.18Å; Q174-R177 VanDerWaalsContact O-N 3.15Å; S175-R177 PolarHBondContact O-N 3.41Å; R177-E372 IonicContact NH2-OE1 3.43Å
178	A	32.3	Very low	33	Very low	30 Å²	30	77.5 Å²	77.5	25%	0.248	42%	0.423	C	S	.	.			trans	-155.7	126.7	172.2	0	0	0	0	0	110.7	Q174 S180 A181	Q174-A178 PolarHBondContact O-N 3.14Å; A178-S180 PolarHBondContact O-N 3.27Å; A178-A181 PolarHBondContact O-N 3.19Å
179	P	32.9	Very low	32.3	Very low	150 Å²	150	77.1 Å²	77.1	97%	0.974	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-2.7	178.8	24.8	-32.1	0	0	0	114.6
180	S	33.5	Very low	31.6	Very low	102 Å²	102	84 Å²	84	71%	0.713	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	6	179.5	57	0	0	0	0	114.7	A178 E182	A178-S180 PolarHBondContact O-N 3.27Å; S180-E182 PolarHBondContact O-N 3.1Å
181	A	30.7	Very low	30.8	Very low	35 Å²	35	92 Å²	92	29%	0.289	50%	0.504	S	S	.	.			trans	-77.8	92.1	179	0	0	0	0	0	110.9	Q174 A178 C183	Q174-A181 HydrophobicContact CB-CB 4.09Å; A178-A181 PolarHBondContact O-N 3.19Å; A181-C183 PolarHBondContact O-N 3.45Å
182	E	31.8	Very low	30.1	Very low	152 Å²	152	97 Å²	97	71%	0.71	54%	0.537	S	S	*	.			trans	-57.8	120	169.6	-74.9	179.8	173.6	0	0	110.5	S180 P184	S180-E182 PolarHBondContact O-N 3.1Å; E182-P184 VanDerWaalsContact O-CD 3.29Å; E182-P184 WeakPolarHBondContact O-CD 3.4Å
183	C	29.9	Very low	29.5	Very low	28 Å²	28	101.3 Å²	101.3	19%	0.189	57%	0.568	C	S	.	*			trans	-73.1	113.2	177.1	-107.7	0	0	0	0	110.4	C171 A181 L185 V186	C171-C183 WeakPolarHBondContact CA-SG 3.35Å; C171-C183 HydrophobicContact CB-CB 4.33Å; C171-C183 WeakPolarHBondContact CB-SG 3.22Å; C171-C183 WeakPolarHBondContact SG-CA 3.06Å; C171-C183 WeakPolarHBondContact SG-CB 3.21Å; C171-C183 CovalentContact SG-SG 1.99Å; C171-C183 PolarHBondContact SG-SG 2.8Å; A181-C183 PolarHBondContact O-N 3.45Å; C183-L185 PolarHBondContact O-N 2.94Å; C183-V186 HydrophobicContact CB-CG2 4.07Å; C183-V186 PolarHBondContact O-N 3.42Å
184	P	33.3	Very low	28.9	Very low	61 Å²	61	101 Å²	101	40%	0.396	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	2.6	-175.4	28.4	-33.1	0	0	0	113.9	E182	E182-P184 VanDerWaalsContact O-CD 3.29Å; E182-P184 WeakPolarHBondContact O-CD 3.4Å
185	L	31.7	Very low	28.5	Very low	93 Å²	93	103.4 Å²	103.4	49%	0.487	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.6	-6.7	170.6	-72.4	131.5	0	0	0	113.7	S167 C183	S167-L185 WeakPolarHBondContact O-CD1 3.42Å; C183-L185 PolarHBondContact O-N 2.94Å
186	V	27.4	Very low	28.1	Very low	92 Å²	92	105.2 Å²	105.2	56%	0.558	63%	0.631	S	S	*	*	S	Bend	trans	-95.8	-10.6	173.8	-170.8	0	0	0	0	111.1	C183	C183-V186 HydrophobicContact CB-CG2 4.07Å; C183-V186 PolarHBondContact O-N 3.42Å
187	H	25.6	Very low	27.8	Very low	127 Å²	127	112.5 Å²	112.5	59%	0.588	65%	0.652	S	S	*	*	S	Bend	trans	-96.7	11.9	-177	-91.8	-66	0	0	0	116.6	C189	H187-C189 VanDerWaalsContact C-N 3.31Å
188	N	24.1	Very low	27.4	Very low	157 Å²	157	111.5 Å²	111.5	84%	0.84	66%	0.662	S	S	*	*			trans	-101.1	48.5	157.7	-78.8	-0.5	0	0	0	110.1
189	C	23.1	Very low	26.9	Very low	109 Å²	109	116.7 Å²	116.7	74%	0.736	69%	0.686	S	S	*	*	S	Bend	trans	-79.5	127.7	152.6	-123.5	0	0	0	0	106.4	H187 H191	H187-C189 VanDerWaalsContact C-N 3.31Å; C189-H191 PolarHBondContact O-N 3.27Å
190	F	23.6	Very low	26.5	Very low	188 Å²	188	117.5 Å²	117.5	83%	0.825	67%	0.674	S	S	*	*			trans	-40.5	124.4	178.4	-85.2	-107.5	0	0	0	111.5	C192	F190-C192 VanDerWaalsContact C-N 3.3Å; F190-C192 PolarHBondContact O-N 2.86Å
191	H	22.8	Very low	26	Very low	186 Å²	186	119.2 Å²	119.2	86%	0.861	69%	0.685	S	S	*	*			trans	-58.6	102.8	150.1	-88.3	-67.4	0	0	0	106.5	C189 P193	C189-H191 PolarHBondContact O-N 3.27Å; H191-P193 VanDerWaalsContact O-CD 3.26Å; H191-P193 WeakPolarHBondContact O-CD 3.4Å
192	C	21.9	Very low	25.6	Very low	108 Å²	108	125.6 Å²	125.6	73%	0.73	71%	0.708	S	S	*	*			trans	-65.8	113.7	161.2	-80.1	0	0	0	0	107	F190 G194	F190-C192 VanDerWaalsContact C-N 3.3Å; F190-C192 PolarHBondContact O-N 2.86Å; C192-G194 PolarHBondContact O-N 2.85Å; C192-G194 VanDerWaalsContact O-N 3.14Å
193	P	24.7	Very low	25.2	Very low	133 Å²	133	123.2 Å²	123.2	86%	0.864	71%	0.708	S	S	*	*	S	Bend	trans	-77.3	105.3	174.4	31.1	-25.6	0	0	0	106.9	H191	H191-P193 VanDerWaalsContact O-CD 3.26Å; H191-P193 WeakPolarHBondContact O-CD 3.4Å
194	G	24.1	Very low	24.9	Very low	74 Å²	74	128.8 Å²	128.8	76%	0.763	74%	0.735	S	S	*	*			trans	115.9	71.4	167.5	0	0	0	0	0	115.7	C192	C192-G194 PolarHBondContact O-N 2.85Å; C192-G194 VanDerWaalsContact O-N 3.14Å
195	S	25.8	Very low	24.5	Very low	105 Å²	105	132 Å²	132	73%	0.734	75%	0.749	S	S	*	*			trans	-154.8	99.2	140.4	64	0	0	0	0	109.4
196	A	25.9	Very low	24.2	Very low	99 Å²	99	133.5 Å²	133.5	82%	0.818	76%	0.762	S	S	*	*			trans	-65	139.7	159.1	0	0	0	0	0	108.3
197	K	25.1	Very low	24.1	Very low	189 Å²	189	133.7 Å²	133.7	82%	0.822	77%	0.768	S	S	*	*	S	Bend	trans	94.5	105.2	-178.4	-56.8	178.9	178.8	-177.4	0	113.8
198	T	26.3	Very low	24.1	Very low	124 Å²	124	133.5 Å²	133.5	76%	0.761	78%	0.775	S	S	*	*			trans	24.2	107.4	144.5	52.3	0	0	0	0	115.9
199	D	21.7	Very low	24.1	Very low	139 Å²	139	133.6 Å²	133.6	74%	0.743	77%	0.765	S	S	*	*				171.3	137.4	125.1	-85.2	-17.9	0	0	0	113.9
200	F	23.9	Very low	24.1	Very low	167 Å²	167	136.7 Å²	136.7	73%	0.732	77%	0.774	S	S	*	*			trans	55.9	96.6	164.7	-59.4	-72.4	0	0	0	121.5	Q202	F200-Q202 VanDerWaalsContact C-N 3.32Å; F200-Q202 HydrophobicContact CB-CG 4.32Å; F200-Q202 PolarHBondContact O-N 3.39Å
201	C	23.1	Very low	24.1	Very low	138 Å²	138	134 Å²	134	93%	0.932	77%	0.768	S	S	*	*			trans	-70.2	92.5	133.1	-77.1	0	0	0	0	108	S203	C201-S203 PolarHBondContact O-N 3.47Å
202	Q	22	Very low	24.2	Very low	168 Å²	168	130.8 Å²	130.8	79%	0.785	76%	0.763	S	S	*	*			trans	-70	120.8	163.6	-91.4	-179.5	-9.7	0	0	108.5	F200 I204	F200-Q202 VanDerWaalsContact C-N 3.32Å; F200-Q202 HydrophobicContact CB-CG 4.32Å; F200-Q202 PolarHBondContact O-N 3.39Å; Q202-I204 PolarHBondContact O-N 2.88Å
203	S	23.4	Very low	24.4	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	77%	0.767	S	S	*	*			trans	-51.1	125.8	163.4	50	0	0	0	0	108.7	C201 N205	C201-S203 PolarHBondContact O-N 3.47Å; S203-N205 PolarHBondContact O-N 2.78Å
204	I	24.4	Very low	24.6	Very low	145 Å²	145	131.7 Å²	131.7	74%	0.744	76%	0.76	S	S	*	*			trans	-54.7	110.8	166.5	-66.6	169.7	0	0	0	106.3	Q202 T206	Q202-I204 PolarHBondContact O-N 2.88Å; I204-T206 PolarHBondContact O-N 2.78Å; I204-T206 VanDerWaalsContact O-N 3.11Å
205	N	24.6	Very low	24.7	Very low	128 Å²	128	136.3 Å²	136.3	68%	0.684	76%	0.759	S	S	*	*			trans	-43.2	120.7	172.5	-105.4	-24	0	0	0	108.6	S203 S207	S203-N205 PolarHBondContact O-N 2.78Å; N205-S207 PolarHBondContact O-N 1.99Å
206	T	24.5	Very low	24.8	Very low	125 Å²	125	139.8 Å²	139.8	77%	0.767	77%	0.769	S	S	*	*			trans	-67.4	33.8	174.3	40.3	0	0	0	0	112.5	I204 V208	I204-T206 PolarHBondContact O-N 2.78Å; I204-T206 VanDerWaalsContact O-N 3.11Å; T206-V208 VanDerWaalsContact C-N 3.35Å; T206-V208 PolarHBondContact O-N 3.23Å
207	S	24.8	Very low	24.9	Very low	97 Å²	97	142.1 Å²	142.1	68%	0.678	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	11.3	-173	56	0	0	0	0	114.9	N205	N205-S207 PolarHBondContact O-N 1.99Å
208	V	26.7	Very low	24.8	Very low	123 Å²	123	142 Å²	142	75%	0.745	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	2.9	174.5	-173	0	0	0	0	112.8	T206	T206-V208 VanDerWaalsContact C-N 3.35Å; T206-V208 PolarHBondContact O-N 3.23Å
209	Y	24.4	Very low	25	Very low	158 Å²	158	146.8 Å²	146.8	62%	0.62	77%	0.765	S	S	*	*	S	Bend	trans	-143.7	104	165.4	-73.5	-82.3	0	0	0	109.8	L211	Y209-L211 PolarHBondContact O-N 3.01Å
210	D	21.8	Very low	25.2	Very low	175 Å²	175	148.2 Å²	148.2	94%	0.936	76%	0.764	S	S	*	*			trans	-60.2	89.9	158.6	-83.9	-32.3	0	0	0	108.7
211	L	25	Very low	25.4	Very low	131 Å²	131	146.9 Å²	146.9	69%	0.686	77%	0.765	S	S	*	*			trans	-75.8	133.9	149.9	-78.6	154.8	0	0	0	106	Y209 I213	Y209-L211 PolarHBondContact O-N 3.01Å; L211-I213 PolarHBondContact O-N 3.2Å
212	P	24	Very low	25.6	Very low	118 Å²	118	146.7 Å²	146.7	77%	0.766	76%	0.759	S	S	*	*			trans	-65.5	100.8	178.9	26.5	-30.9	0	0	0	108.5	S214	P212-S214 PolarHBondContact O-N 2.99Å
213	I	26.2	Very low	26.1	Very low	158 Å²	158	146.8 Å²	146.8	81%	0.81	76%	0.764	S	S	*	*			trans	-73.2	75.9	161	-56.7	172	0	0	0	105.3	L211 K215	L211-I213 PolarHBondContact O-N 3.2Å; I213-K215 VanDerWaalsContact C-N 3.26Å; I213-K215 PolarHBondContact O-N 3.13Å
214	S	28.3	Very low	26.6	Very low	103 Å²	103	146.3 Å²	146.3	72%	0.72	76%	0.759	S	S	*	*			trans	-74.5	90.2	165.7	61	0	0	0	0	107.9	P212	P212-S214 PolarHBondContact O-N 2.99Å
215	K	27.7	Very low	26.7	Very low	171 Å²	171	145 Å²	145	74%	0.743	76%	0.758	S	S	*	*			trans	32.4	93.9	148.2	-62.6	-177.6	178.2	-177.8	0	115.8	I213 Q217	I213-K215 VanDerWaalsContact C-N 3.26Å; I213-K215 PolarHBondContact O-N 3.13Å; K215-Q217 PolarHBondContact O-N 2.91Å
216	N	26.9	Very low	26.8	Very low	178 Å²	178	145.5 Å²	145.5	95%	0.952	77%	0.765	S	S	*	*			trans	-65.4	89.9	147.4	-85.7	-23.9	0	0	0	108.5
217	Q	27.3	Very low	26.9	Very low	148 Å²	148	148 Å²	148	69%	0.692	77%	0.765	S	S	*	*			trans	-125.5	111.2	157.6	-92.9	-178.3	-25.4	0	0	108.3	K215	K215-Q217 PolarHBondContact O-N 2.91Å
218	Y	24.7	Very low	27	Very low	186 Å²	186	151.5 Å²	151.5	73%	0.729	77%	0.771	S	S	*	*			trans	62.7	120.6	148.2	-76.3	-93	0	0	0	120.2
219	Y	29.6	Very low	27.1	Very low	224 Å²	224	153.5 Å²	153.5	88%	0.878	77%	0.772	S	S	*	*				179.2	83.9	113.4	-90	-71.4	0	0	0	107.2
220	K	25.9	Very low	27.2	Very low	169 Å²	169	152.4 Å²	152.4	74%	0.735	78%	0.782	S	S	*	*				9.3	116.2	100.4	-116.7	-179.3	-178	179.1	0	114.9
221	N	28.3	Very low	27.4	Very low	140 Å²	140	151.1 Å²	151.1	75%	0.749	77%	0.768	S	S	*	*			trans	61.7	112.1	160.4	-57.3	-12.6	0	0	0	116.7
222	V	26.2	Very low	27.6	Very low	134 Å²	134	148.1 Å²	148.1	81%	0.812	76%	0.756	S	S	*	*				172.6	100.1	126.9	171.2	0	0	0	0	107.6
223	L	32.6	Very low	27.9	Very low	169 Å²	169	149.3 Å²	149.3	89%	0.885	76%	0.755	S	S	*	*			trans	-83	144.6	131.4	-88.1	156.4	0	0	0	104.4
224	P	34.4	Very low	28.1	Very low	93 Å²	93	145.9 Å²	145.9	60%	0.604	75%	0.745	S	S	*	*				-159.4	170.8	74.3	40.9	-18.8	0	0	0	117
225	T	27.7	Very low	28.2	Very low	118 Å²	118	148.4 Å²	148.4	72%	0.724	74%	0.743	S	S	*	*			trans	43	120.6	140.4	58.8	0	0	0	0	120.1
226	V	26.5	Very low	28.2	Very low	137 Å²	137	148 Å²	148	83%	0.83	74%	0.738	S	S	*	*				171.3	149.3	111.7	161	0	0	0	0	110.1
227	K	26.5	Very low	28.1	Very low	179 Å²	179	144.5 Å²	144.5	78%	0.778	72%	0.719	S	S	*	*			trans	-40.8	155.7	-178.3	-63.6	169.9	174.6	-177.8	0	118.3
228	E	26.9	Very low	28.1	Very low	169 Å²	169	144.9 Å²	144.9	79%	0.79	72%	0.718	S	S	*	*			trans	87.9	118.7	151.3	-78.2	162.2	-157.8	0	0	120.7
229	E	27.6	Very low	28.4	Very low	166 Å²	166	141.4 Å²	141.4	78%	0.776	72%	0.719	S	S	*	*	S	Bend	trans	78.4	112.7	145.8	-61.9	-176.2	169.1	0	0	121
230	T	27.6	Very low	28.4	Very low	135 Å²	135	138.1 Å²	138.1	83%	0.828	71%	0.711	S	S	*	*			trans	63.1	92.1	170.5	47.2	0	0	0	0	117.1	P232	T230-P232 VanDerWaalsContact O-CD 3.23Å; T230-P232 WeakPolarHBondContact O-CD 3.23Å
231	F	26.4	Very low	28.5	Very low	148 Å²	148	135.3 Å²	135.3	65%	0.649	70%	0.7	S	S	*	*			trans	-77.6	115.1	164.3	-68.1	-85.3	0	0	0	110	I233 Y236	F231-I233 PolarHBondContact O-N 3.44Å; F231-Y236 HydrophobicContact CB-CE2 4.22Å; F231-Y236 HydrophobicContact CD1-CE2 4.43Å; F231-Y236 HydrophobicContact CG-CE2 4.35Å
232	P	28.4	Very low	28.4	Very low	67 Å²	67	137.7 Å²	137.7	44%	0.435	70%	0.704	S	S	.	*			trans	-66.6	133.2	163.9	28.1	-32	0	0	0	108.3	T230 S234 K235	T230-P232 VanDerWaalsContact O-CD 3.23Å; T230-P232 WeakPolarHBondContact O-CD 3.23Å; P232-S234 WeakPolarHBondContact CB-OG 3.45Å; P232-S234 PolarHBondContact O-N 3.29Å; P232-K235 HydrophobicContact CG-CG 4.48Å; P232-K235 PolarHBondContact O-N 3.32Å
233	I	30.7	Very low	28.6	Very low	144 Å²	144	136.2 Å²	136.2	74%	0.738	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-51.9	-17.9	177.7	-71.9	167.8	0	0	0	112.3	F231 K235 Y236	F231-I233 PolarHBondContact O-N 3.44Å; I233-K235 PolarHBondContact O-N 3.38Å; I233-Y236 PolarHBondContact O-N 2.87Å; I233-Y236 VanDerWaalsContact O-N 3.08Å
234	S	30	Very low	28.3	Very low	85 Å²	85	133 Å²	133	59%	0.594	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-59.9	-19.3	170.5	60.9	0	0	0	0	115	P232	P232-S234 WeakPolarHBondContact CB-OG 3.45Å; P232-S234 PolarHBondContact O-N 3.29Å
235	K	29.8	Very low	28	Very low	157 Å²	157	134 Å²	134	68%	0.683	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-85.7	-9.2	174.4	-72.2	-175	177.7	178.5	0	114.2	P232 I233	P232-K235 HydrophobicContact CG-CG 4.48Å; P232-K235 PolarHBondContact O-N 3.32Å; I233-K235 PolarHBondContact O-N 3.38Å
236	Y	28.1	Very low	27.9	Very low	162 Å²	162	130.7 Å²	130.7	64%	0.635	66%	0.663	S	S	*	*	S	Bend	trans	-106.1	0.6	175.1	-73.9	-81.2	0	0	0	113.7	F231 I233 F238	F231-Y236 HydrophobicContact CB-CE2 4.22Å; F231-Y236 HydrophobicContact CD1-CE2 4.43Å; F231-Y236 HydrophobicContact CG-CE2 4.35Å; I233-Y236 PolarHBondContact O-N 2.87Å; I233-Y236 VanDerWaalsContact O-N 3.08Å; Y236-F238 PolarHBondContact O-N 2.71Å
237	L	25.5	Very low	27.9	Very low	104 Å²	104	125.9 Å²	125.9	55%	0.545	63%	0.634	S	S	.	*	S	Bend	trans	-76.9	104.9	164.3	-72.3	163.5	0	0	0	107.3
238	F	26.5	Very low	28.1	Very low	156 Å²	156	122.9 Å²	122.9	68%	0.684	62%	0.623	S	S	*	*			trans	-37.8	146.1	170.1	-84.7	-95.5	0	0	0	111.2	Y236 H240	Y236-F238 PolarHBondContact O-N 2.71Å; F238-H240 PolarHBondContact O-N 3.43Å
239	P	31.2	Very low	28.1	Very low	114 Å²	114	116.9 Å²	116.9	74%	0.74	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-60.5	1	179.4	-17.9	29.9	0	0	0	114.9	H241	P239-H241 VanDerWaalsContact C-N 3.29Å; P239-H241 PolarHBondContact O-N 2.89Å
240	H	29.6	Very low	28.2	Very low	154 Å²	154	110.5 Å²	110.5	71%	0.713	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-79.2	2.5	-178.4	-67.5	-54.6	0	0	0	115.3	F238	F238-H240 PolarHBondContact O-N 3.43Å
241	H	28	Very low	28.4	Very low	110 Å²	110	105 Å²	105	51%	0.509	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-93.8	-0.2	178	-72.6	-27.9	0	0	0	116.2	P239 N243	P239-H241 VanDerWaalsContact C-N 3.29Å; P239-H241 PolarHBondContact O-N 2.89Å; H241-N243 VanDerWaalsContact C-N 3.29Å; H241-N243 PolarHBondContact O-N 3.35Å
242	F	26	Very low	28.8	Very low	190 Å²	190	107.1 Å²	107.1	83%	0.833	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-77.4	-6.4	173.6	-89.6	-82.2	0	0	0	115.3
243	N	31.6	Very low	28.9	Very low	104 Å²	104	113.1 Å²	113.1	56%	0.556	56%	0.56	S	S	*	*	H	α-helix	trans	-96.7	1	175.5	-103.1	-18.1	0	0	0	114.9	H241 V247	H241-N243 VanDerWaalsContact C-N 3.29Å; H241-N243 PolarHBondContact O-N 3.35Å; N243-V247 WeakPolarHBondContact O-CB 3.46Å; N243-V247 WeakPolarHBondContact O-CG2 3.41Å; N243-V247 PolarHBondContact O-N 3.5Å
244	L	26.1	Very low	29.1	Very low	102 Å²	102	107.9 Å²	107.9	53%	0.534	53%	0.533	S	S	.	.	H	α-helix	trans	-73.7	-33.2	175.2	-110.8	150.5	0	0	0	112	H248	L244-H248 VanDerWaalsContact O-CB 3.24Å; L244-H248 WeakPolarHBondContact O-CB 3.32Å; L244-H248 PolarHBondContact O-N 2.81Å
245	V	28	Very low	29.5	Very low	113 Å²	113	105.8 Å²	105.8	69%	0.685	52%	0.515	S	S	*	.	H	α-helix	trans	-71	-39.4	175.4	-179.5	0	0	0	0	111.4	H248 A249	V245-H248 PolarHBondContact O-N 3.35Å; V245-A249 VanDerWaalsContact O-CB 3.24Å; V245-A249 WeakPolarHBondContact O-CB 3.36Å; V245-A249 PolarHBondContact O-N 3.06Å
246	A	26.2	Very low	30	Very low	48 Å²	48	101.8 Å²	101.8	40%	0.397	50%	0.503	S	S	.	.	H	α-helix	trans	-66.9	-41.8	175.1	0	0	0	0	0	111.7	A249 S250	A246-A249 PolarHBondContact O-N 2.97Å; A246-S250 WeakPolarHBondContact O-CB 3.49Å; A246-S250 PolarHBondContact O-N 3.48Å; A246-S250 PolarHBondContact O-OG 2.77Å
247	V	26.2	Very low	30.6	Very low	36 Å²	36	98.8 Å²	98.8	22%	0.218	50%	0.495	C	S	.	.	H	α-helix	trans	-66.3	-37.1	171.6	173.7	0	0	0	0	110.9	N243 S250 T251	N243-V247 WeakPolarHBondContact O-CB 3.46Å; N243-V247 WeakPolarHBondContact O-CG2 3.41Å; N243-V247 PolarHBondContact O-N 3.5Å; V247-S250 PolarHBondContact O-OG 2.83Å; V247-T251 HydrophobicContact CG1-CG2 4.33Å; V247-T251 VanDerWaalsContact O-CB 3.22Å; V247-T251 WeakPolarHBondContact O-CB 3.42Å; V247-T251 VanDerWaalsContact O-CG2 3.25Å; V247-T251 WeakPolarHBondContact O-CG2 3.33Å; V247-T251 PolarHBondContact O-N 3.16Å; V247-T251 PolarHBondContact O-OG1 3.33Å
248	H	29	Very low	31.3	Very low	116 Å²	116	95.6 Å²	95.6	54%	0.537	48%	0.478	S	S	.	.	H	α-helix	trans	-68.9	-36.9	175.1	-117.4	-56.9	0	0	0	112.9	L244 V245 T251 R252	L244-H248 VanDerWaalsContact O-CB 3.24Å; L244-H248 WeakPolarHBondContact O-CB 3.32Å; L244-H248 PolarHBondContact O-N 2.81Å; V245-H248 PolarHBondContact O-N 3.35Å; H248-T251 VanDerWaalsContact CA-OG1 3.27Å; H248-T251 WeakPolarHBondContact CA-OG1 3.44Å; H248-T251 PolarHBondContact O-OG1 2.98Å; H248-R252 VanDerWaalsContact O-CB 3.26Å; H248-R252 WeakPolarHBondContact O-CB 3.23Å; H248-R252 PolarHBondContact O-N 3.39Å
249	A	28.8	Very low	32.3	Very low	44 Å²	44	94.4 Å²	94.4	36%	0.364	47%	0.469	S	S	.	.	H	α-helix	trans	-74.8	-41.5	178.8	0	0	0	0	0	111.6	V245 A246 R252 R253	V245-A249 VanDerWaalsContact O-CB 3.24Å; V245-A249 WeakPolarHBondContact O-CB 3.36Å; V245-A249 PolarHBondContact O-N 3.06Å; A246-A249 PolarHBondContact O-N 2.97Å; A249-R252 PolarHBondContact O-N 2.73Å; A249-R253 WeakPolarHBondContact O-CB 3.44Å; A249-R253 WeakPolarHBondContact O-CG 3.38Å; A249-R253 PolarHBondContact O-N 3.07Å
250	S	29.4	Very low	33	Very low	32 Å²	32	93.9 Å²	93.9	22%	0.224	46%	0.457	C	S	.	.	H	α-helix	trans	-64.7	-44.5	172.4	77.2	0	0	0	0	110.2	A246 V247 R252 R253 Q254	A246-S250 WeakPolarHBondContact O-CB 3.49Å; A246-S250 PolarHBondContact O-N 3.48Å; A246-S250 PolarHBondContact O-OG 2.77Å; V247-S250 PolarHBondContact O-OG 2.83Å; S250-R252 PolarHBondContact O-N 3.41Å; S250-R253 PolarHBondContact O-N 3.14Å; S250-Q254 VanDerWaalsContact O-CB 3.23Å; S250-Q254 WeakPolarHBondContact O-CB 3.36Å; S250-Q254 WeakPolarHBondContact O-CG 3.48Å; S250-Q254 PolarHBondContact O-N 3.47Å; S250-Q254 PolarHBondContact O-OE1 2.73Å
251	T	31.6	Very low	33.7	Very low	19 Å²	19	87.4 Å²	87.4	12%	0.117	43%	0.427	C	S	.	.	H	α-helix	trans	-67.9	-32.8	175.9	51.7	0	0	0	0	113.1	Y169 Y173 V247 H248 N255	Y169-T251 HydrophobicContact CE2-CG2 3.83Å; Y169-T251 VanDerWaalsContact OH-CG2 3.32Å; Y169-T251 WeakPolarHBondContact OH-CG2 3.38Å; Y173-T251 HydrophobicContact CD2-CG2 4.22Å; V247-T251 HydrophobicContact CG1-CG2 4.33Å; V247-T251 VanDerWaalsContact O-CB 3.22Å; V247-T251 WeakPolarHBondContact O-CB 3.42Å; V247-T251 VanDerWaalsContact O-CG2 3.25Å; V247-T251 WeakPolarHBondContact O-CG2 3.33Å; V247-T251 PolarHBondContact O-N 3.16Å; V247-T251 PolarHBondContact O-OG1 3.33Å; H248-T251 VanDerWaalsContact CA-OG1 3.27Å; H248-T251 WeakPolarHBondContact CA-OG1 3.44Å; H248-T251 PolarHBondContact O-OG1 2.98Å; T251-N255 WeakPolarHBondContact O-CB 3.47Å; T251-N255 PolarHBondContact O-N 3.18Å
252	R	33.7	Very low	34.5	Very low	192 Å²	192	82.6 Å²	82.6	73%	0.725	41%	0.405	S	S	*	.	H	α-helix	trans	-66	-50.7	171.3	-114	-179.5	171.2	-178.5	-1.9	111.5	H248 A249 S250 Q254 N255 V256	H248-R252 VanDerWaalsContact O-CB 3.26Å; H248-R252 WeakPolarHBondContact O-CB 3.23Å; H248-R252 PolarHBondContact O-N 3.39Å; A249-R252 PolarHBondContact O-N 2.73Å; S250-R252 PolarHBondContact O-N 3.41Å; R252-Q254 VanDerWaalsContact C-N 3.32Å; R252-Q254 PolarHBondContact O-N 2.91Å; R252-N255 PolarHBondContact O-N 3.08Å; R252-V256 VanDerWaalsContact O-CG2 3.3Å; R252-V256 WeakPolarHBondContact O-CG2 3.29Å; R252-V256 PolarHBondContact O-N 3.41Å
253	R	30.7	Very low	35.5	Very low	194 Å²	194	81.2 Å²	81.2	73%	0.732	39%	0.394	S	S	*	.	H	α-helix	trans	-62.1	-41.4	179.1	-75.7	-177	-176	175.4	2.4	111.3	A249 S250 V256 H257	A249-R253 WeakPolarHBondContact O-CB 3.44Å; A249-R253 WeakPolarHBondContact O-CG 3.38Å; A249-R253 PolarHBondContact O-N 3.07Å; S250-R253 PolarHBondContact O-N 3.14Å; R253-V256 WeakPolarHBondContact O-CB 3.43Å; R253-V256 PolarHBondContact O-N 3.23Å; R253-H257 PolarHBondContact O-N 2.73Å
254	Q	35.4	Very low	36.2	Very low	34 Å²	34	79 Å²	79	16%	0.159	38%	0.38	C	S	.	.	H	α-helix	trans	-73.5	-33.2	176.9	-65.5	166.4	-30.3	0	0	112.4	Y169 S250 R252 V256 H257 L258	Y169-Q254 HydrophobicContact CD2-CB 3.31Å; Y169-Q254 HydrophobicContact CD2-CG 3.96Å; Y169-Q254 HydrophobicContact CE2-CB 3.65Å; Y169-Q254 HydrophobicContact CG-CB 4.49Å; S250-Q254 VanDerWaalsContact O-CB 3.23Å; S250-Q254 WeakPolarHBondContact O-CB 3.36Å; S250-Q254 WeakPolarHBondContact O-CG 3.48Å; S250-Q254 PolarHBondContact O-N 3.47Å; S250-Q254 PolarHBondContact O-OE1 2.73Å; R252-Q254 VanDerWaalsContact C-N 3.32Å; R252-Q254 PolarHBondContact O-N 2.91Å; Q254-V256 VanDerWaalsContact C-N 3.28Å; Q254-V256 PolarHBondContact O-N 3.48Å; Q254-H257 PolarHBondContact O-N 3.06Å; Q254-L258 WeakPolarHBondContact O-CB 3.49Å; Q254-L258 PolarHBondContact O-N 2.9Å
255	N	37.8	Very low	37.1	Very low	41 Å²	41	74.6 Å²	74.6	22%	0.219	36%	0.358	C	S	.	.	H	α-helix	trans	-62.9	-36.5	168.6	-120.1	-72.4	0	0	0	111.5	T251 R252 R259	T251-N255 WeakPolarHBondContact O-CB 3.47Å; T251-N255 PolarHBondContact O-N 3.18Å; R252-N255 PolarHBondContact O-N 3.08Å; N255-R259 WeakPolarHBondContact O-CB 3.17Å; N255-R259 WeakPolarHBondContact O-CD 3.18Å; N255-R259 WeakPolarHBondContact O-CG 3.41Å; N255-R259 PolarHBondContact O-N 2.91Å
256	V	41.4	Very low	37.9	Very low	73 Å²	73	74.6 Å²	74.6	44%	0.442	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-44.1	174.2	170.3	0	0	0	0	110.4	R252 R253 Q254 R259 H260	R252-V256 VanDerWaalsContact O-CG2 3.3Å; R252-V256 WeakPolarHBondContact O-CG2 3.29Å; R252-V256 PolarHBondContact O-N 3.41Å; R253-V256 WeakPolarHBondContact O-CB 3.43Å; R253-V256 PolarHBondContact O-N 3.23Å; Q254-V256 VanDerWaalsContact C-N 3.28Å; Q254-V256 PolarHBondContact O-N 3.48Å; V256-R259 WeakPolarHBondContact O-CB 3.46Å; V256-R259 PolarHBondContact O-N 3.24Å; V256-H260 PolarHBondContact O-CD2 3.22Å; V256-H260 VanDerWaalsContact O-CD2 3.31Å; V256-H260 PolarHBondContact O-N 3.07Å
257	H	40.1	Very low	38.9	Very low	98 Å²	98	76 Å²	76	45%	0.454	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-44.2	175.7	-167.9	65.8	0	0	0	111.9	R253 Q254 R259 H260 L261	R253-H257 PolarHBondContact O-N 2.73Å; Q254-H257 PolarHBondContact O-N 3.06Å; H257-R259 PolarHBondContact O-N 3.39Å; H257-H260 WeakPolarHBondContact O-CB 3.3Å; H257-H260 PolarHBondContact O-N 2.87Å; H257-L261 WeakPolarHBondContact CD2-CD1 3.44Å; H257-L261 WeakPolarHBondContact NE2-CD1 3.18Å; H257-L261 WeakPolarHBondContact O-CB 3.32Å; H257-L261 WeakPolarHBondContact O-CG 3.49Å; H257-L261 PolarHBondContact O-N 3.42Å
258	L	41	Very low	39.9	Very low	37 Å²	37	74.5 Å²	74.5	19%	0.194	34%	0.336	C	S	.	.	H	α-helix	trans	-69.4	-32.7	177.5	-156.2	147.4	0	0	0	111.6	I166 Q254 L262	I166-L258 HydrophobicContact CG1-CD1 3.61Å; I166-L258 HydrophobicContact CG1-CG 4.3Å; Q254-L258 WeakPolarHBondContact O-CB 3.49Å; Q254-L258 PolarHBondContact O-N 2.9Å; L258-L262 HydrophobicContact CD2-CD1 3.68Å; L258-L262 HydrophobicContact CD2-CG 4.19Å; L258-L262 VanDerWaalsContact O-CB 3.31Å; L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 VanDerWaalsContact O-CG 3.26Å; L258-L262 WeakPolarHBondContact O-CG 3.31Å; L258-L262 PolarHBondContact O-N 3.09Å
259	R	46.3	Very low	40.7	Very low	131 Å²	131	69.7 Å²	69.7	49%	0.494	31%	0.314	S	S	.	.	H	α-helix	trans	-61.3	-47.1	167.5	-84.6	165.3	-172.8	-138.3	0.4	111.5	N255 V256 H257 R263	N255-R259 WeakPolarHBondContact O-CB 3.17Å; N255-R259 WeakPolarHBondContact O-CD 3.18Å; N255-R259 WeakPolarHBondContact O-CG 3.41Å; N255-R259 PolarHBondContact O-N 2.91Å; V256-R259 WeakPolarHBondContact O-CB 3.46Å; V256-R259 PolarHBondContact O-N 3.24Å; H257-R259 PolarHBondContact O-N 3.39Å; R259-R263 WeakPolarHBondContact O-CB 3.19Å; R259-R263 PolarHBondContact O-N 3.09Å
260	H	46.3	Very low	41.5	Very low	104 Å²	104	69.3 Å²	69.3	48%	0.481	31%	0.311	S	S	.	.	H	α-helix	trans	-63.5	-47	176.9	-89.2	-73.3	0	0	0	111.3	V256 H257 L262 R263 E264	V256-H260 PolarHBondContact O-CD2 3.22Å; V256-H260 VanDerWaalsContact O-CD2 3.31Å; V256-H260 PolarHBondContact O-N 3.07Å; H257-H260 WeakPolarHBondContact O-CB 3.3Å; H257-H260 PolarHBondContact O-N 2.87Å; H260-L262 PolarHBondContact O-N 3.42Å; H260-R263 WeakPolarHBondContact O-CB 3.39Å; H260-R263 PolarHBondContact O-N 2.89Å; H260-R263 VanDerWaalsContact O-N 3.12Å; H260-E264 WeakPolarHBondContact O-CG 3.38Å; H260-E264 PolarHBondContact O-N 3.43Å
261	L	43.3	Very low	42.4	Very low	18 Å²	18	72.7 Å²	72.7	9%	0.094	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-45.5	176.8	-76.2	159.3	0	0	0	112.2	I158 I161 A162 H257 R263 E264 I265	I158-L261 HydrophobicContact CG2-CD2 4.23Å; I161-L261 HydrophobicContact CG2-CD2 4.1Å; A162-L261 HydrophobicContact CB-CB 4.26Å; A162-L261 HydrophobicContact CB-CD1 4.18Å; A162-L261 HydrophobicContact CB-CD2 3.99Å; A162-L261 HydrophobicContact CB-CG 4.38Å; H257-L261 WeakPolarHBondContact CD2-CD1 3.44Å; H257-L261 WeakPolarHBondContact NE2-CD1 3.18Å; H257-L261 WeakPolarHBondContact O-CB 3.32Å; H257-L261 WeakPolarHBondContact O-CG 3.49Å; H257-L261 PolarHBondContact O-N 3.42Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 3.35Å; L261-E264 PolarHBondContact O-N 3.4Å; L261-I265 WeakPolarHBondContact O-CB 3.45Å; L261-I265 VanDerWaalsContact O-CG1 3.23Å; L261-I265 WeakPolarHBondContact O-CG1 3.19Å; L261-I265 PolarHBondContact O-N 2.92Å
262	L	45.2	Very low	43.1	Very low	9 Å²	9	72.9 Å²	72.9	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-35	175.3	-76	172.8	0	0	0	112.2	L258 H260 R266 M350	L258-L262 HydrophobicContact CD2-CD1 3.68Å; L258-L262 HydrophobicContact CD2-CG 4.19Å; L258-L262 VanDerWaalsContact O-CB 3.31Å; L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 VanDerWaalsContact O-CG 3.26Å; L258-L262 WeakPolarHBondContact O-CG 3.31Å; L258-L262 PolarHBondContact O-N 3.09Å; H260-L262 PolarHBondContact O-N 3.42Å; L262-R266 WeakPolarHBondContact O-CB 3.45Å; L262-R266 VanDerWaalsContact O-CG 3.32Å; L262-R266 WeakPolarHBondContact O-CG 3.42Å; L262-R266 PolarHBondContact O-N 3.06Å; L262-M350 HydrophobicContact CD2-CB 4.41Å; L262-M350 HydrophobicContact CD2-CE 4.08Å; L262-M350 HydrophobicContact CD2-SD 4.14Å
263	R	48	Very low	43.7	Very low	161 Å²	161	69 Å²	69	61%	0.608	30%	0.304	S	S	*	.	H	α-helix	trans	-65.9	-45.6	174.6	-174	178.9	-178.7	176.3	0	111	R259 H260 L261 R266 L267	R259-R263 WeakPolarHBondContact O-CB 3.19Å; R259-R263 PolarHBondContact O-N 3.09Å; H260-R263 WeakPolarHBondContact O-CB 3.39Å; H260-R263 PolarHBondContact O-N 2.89Å; H260-R263 VanDerWaalsContact O-N 3.12Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 3.35Å; R263-R266 PolarHBondContact O-N 3.48Å; R263-L267 HydrophobicContact CG-CD1 4.26Å; R263-L267 WeakPolarHBondContact O-CG 3.16Å; R263-L267 PolarHBondContact O-N 3.36Å
264	E	45.3	Very low	44.5	Very low	57 Å²	57	67.9 Å²	67.9	27%	0.266	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-43.1	175.4	-70.5	-56.7	138.2	0	0	111.7	I158 H260 L261 R266 L267 E268	I158-E264 HydrophobicContact CD1-CB 4.3Å; I158-E264 HydrophobicContact CG2-CB 4.26Å; H260-E264 WeakPolarHBondContact O-CG 3.38Å; H260-E264 PolarHBondContact O-N 3.43Å; L261-E264 PolarHBondContact O-N 3.4Å; E264-R266 VanDerWaalsContact C-N 3.34Å; E264-R266 PolarHBondContact O-N 2.97Å; E264-L267 PolarHBondContact O-N 3.42Å; E264-E268 WeakPolarHBondContact O-CB 3.12Å; E264-E268 PolarHBondContact O-N 2.84Å
265	I	44.7	Very low	45	Very low	10 Å²	10	70.2 Å²	70.2	5%	0.051	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-44	174.8	-69.6	165.4	0	0	0	110.7	I158 L159 A162 L261 E268 M269 V347	I158-I265 HydrophobicContact CG2-CG1 3.97Å; L159-I265 HydrophobicContact CD2-CD1 3.65Å; L159-I265 HydrophobicContact CD2-CG1 3.84Å; L159-I265 HydrophobicContact CD2-CG2 4.49Å; L159-I265 HydrophobicContact CG-CG1 4.45Å; A162-I265 HydrophobicContact CB-CD1 4.13Å; L261-I265 WeakPolarHBondContact O-CB 3.45Å; L261-I265 VanDerWaalsContact O-CG1 3.23Å; L261-I265 WeakPolarHBondContact O-CG1 3.19Å; L261-I265 PolarHBondContact O-N 2.92Å; I265-E268 PolarHBondContact O-N 3.21Å; I265-M269 HydrophobicContact CG2-CG 4.48Å; I265-M269 WeakPolarHBondContact O-CB 3.14Å; I265-M269 WeakPolarHBondContact O-CG 3.43Å; I265-M269 PolarHBondContact O-N 2.62Å; I265-V347 HydrophobicContact CG2-CG2 3.91Å
266	R	46.7	Very low	45.3	Very low	112 Å²	112	68.7 Å²	68.7	42%	0.423	30%	0.3	S	S	.	.	H	α-helix	trans	-63.5	-43.3	176.2	-77.2	178.1	-178.3	178.6	1	112.4	L262 R263 E264 M269 A270 H351	L262-R266 WeakPolarHBondContact O-CB 3.45Å; L262-R266 VanDerWaalsContact O-CG 3.32Å; L262-R266 WeakPolarHBondContact O-CG 3.42Å; L262-R266 PolarHBondContact O-N 3.06Å; R263-R266 PolarHBondContact O-N 3.48Å; E264-R266 VanDerWaalsContact C-N 3.34Å; E264-R266 PolarHBondContact O-N 2.97Å; R266-M269 PolarHBondContact O-N 3.13Å; R266-A270 PolarHBondContact O-N 2.69Å; R266-H351 PolarHBondContact NH2-CD2 2.88Å; R266-H351 PolarHBondContact NH2-CE1 2.97Å; R266-H351 PolarHBondContact NH2-ND1 3.31Å; R266-H351 PolarHBondContact NH2-NE2 3.38Å
267	L	46.2	Very low	45.5	Very low	78 Å²	78	71.9 Å²	71.9	41%	0.408	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-42.9	177.6	-73.7	170.3	0	0	0	111.2	R263 E264 A270 R271	R263-L267 HydrophobicContact CG-CD1 4.26Å; R263-L267 WeakPolarHBondContact O-CG 3.16Å; R263-L267 PolarHBondContact O-N 3.36Å; E264-L267 PolarHBondContact O-N 3.42Å; L267-A270 WeakPolarHBondContact O-CB 3.45Å; L267-A270 PolarHBondContact O-N 2.84Å; L267-R271 WeakPolarHBondContact O-CG 3.1Å; L267-R271 PolarHBondContact O-N 3.3Å
268	E	46.5	Very low	45.8	Very low	4 Å²	4	73.6 Å²	73.6	2%	0.019	31%	0.308	C	S	.	.	H	α-helix	trans	-69.8	-38.4	176.2	-82.8	-57.1	150.8	0	0	112.8	V155 I158 E264 I265 A270 R271 M272	V155-E268 HydrophobicContact CG2-CB 3.89Å; V155-E268 HydrophobicContact CG2-CG 3.87Å; I158-E268 HydrophobicContact CD1-CG 4.16Å; E264-E268 WeakPolarHBondContact O-CB 3.12Å; E264-E268 PolarHBondContact O-N 2.84Å; I265-E268 PolarHBondContact O-N 3.21Å; E268-A270 VanDerWaalsContact C-N 3.28Å; E268-A270 PolarHBondContact O-N 2.96Å; E268-R271 CarbonylContact O-C 3.59Å; E268-R271 WeakPolarHBondContact O-CB 3.24Å; E268-R271 PolarHBondContact O-N 2.83Å; E268-R271 VanDerWaalsContact O-N 3.13Å; E268-R271 VanDerWaalsContact OE1-CD 3.32Å; E268-R271 WeakPolarHBondContact OE1-CD 3.31Å; E268-R271 IonicContact OE1-CZ 3.29Å; E268-R271 IonicContact OE1-NE 2.73Å; E268-R271 IonicContact OE1-NH1 3.55Å; E268-R271 PolarHBondContact OE1-NH1 3.43Å; E268-M272 WeakPolarHBondContact O-CB 3.19Å; E268-M272 WeakPolarHBondContact O-CG 3.37Å; E268-M272 PolarHBondContact O-N 3.46Å
269	M	46.5	Very low	46	Very low	16 Å²	16	72.9 Å²	72.9	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-58.6	-41.3	170.4	-77.1	-157.3	-54.8	0	0	111.8	I265 R266 M272 R273 L343 V347	I265-M269 HydrophobicContact CG2-CG 4.48Å; I265-M269 WeakPolarHBondContact O-CB 3.14Å; I265-M269 WeakPolarHBondContact O-CG 3.43Å; I265-M269 PolarHBondContact O-N 2.62Å; R266-M269 PolarHBondContact O-N 3.13Å; M269-M272 HydrophobicContact CG-CE 4.16Å; M269-M272 PolarHBondContact O-N 3.28Å; M269-R273 WeakPolarHBondContact O-CG 3.26Å; M269-R273 PolarHBondContact O-N 3.44Å; M269-L343 HydrophobicContact CG-CD2 3.88Å; M269-L343 HydrophobicContact SD-CD2 3.59Å; M269-L343 VanDerWaalsContact SD-CD2 3.59Å; M269-V347 HydrophobicContact CE-CB 3.8Å; M269-V347 HydrophobicContact CE-CG1 3.66Å; M269-V347 HydrophobicContact CE-CG2 3.77Å; M269-V347 HydrophobicContact SD-CB 4.31Å; M269-V347 HydrophobicContact SD-CG2 3.78Å
270	A	45.8	Very low	45.9	Very low	35 Å²	35	70.5 Å²	70.5	29%	0.289	30%	0.295	S	S	.	.	H	α-helix	trans	-64.1	-39.8	175.2	0	0	0	0	0	111.9	R266 L267 E268 R273 R274	R266-A270 PolarHBondContact O-N 2.69Å; L267-A270 WeakPolarHBondContact O-CB 3.45Å; L267-A270 PolarHBondContact O-N 2.84Å; E268-A270 VanDerWaalsContact C-N 3.28Å; E268-A270 PolarHBondContact O-N 2.96Å; A270-R273 PolarHBondContact O-N 3.42Å; A270-R274 WeakPolarHBondContact O-CG 3.46Å; A270-R274 PolarHBondContact O-N 3.39Å
271	R	48.5	Very low	45.8	Very low	104 Å²	104	69.4 Å²	69.4	39%	0.392	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-42.9	173.6	-72.3	173.3	-179.5	172.3	4	111.7	L267 E268 R274 R275	L267-R271 WeakPolarHBondContact O-CG 3.1Å; L267-R271 PolarHBondContact O-N 3.3Å; E268-R271 CarbonylContact O-C 3.59Å; E268-R271 WeakPolarHBondContact O-CB 3.24Å; E268-R271 PolarHBondContact O-N 2.83Å; E268-R271 VanDerWaalsContact O-N 3.13Å; E268-R271 VanDerWaalsContact OE1-CD 3.32Å; E268-R271 WeakPolarHBondContact OE1-CD 3.31Å; E268-R271 IonicContact OE1-CZ 3.29Å; E268-R271 IonicContact OE1-NE 2.73Å; E268-R271 IonicContact OE1-NH1 3.55Å; E268-R271 PolarHBondContact OE1-NH1 3.43Å; R271-R274 PolarHBondContact O-N 2.86Å; R271-R275 WeakPolarHBondContact O-CG 3.09Å; R271-R275 PolarHBondContact O-N 2.88Å
272	M	45.1	Very low	45.8	Very low	22 Å²	22	68.7 Å²	68.7	11%	0.108	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-42.7	176.9	-71.5	-169.7	-67.5	0	0	111.7	V155 E268 M269 R274 R275 A276 F397	V155-M272 HydrophobicContact CG1-CE 4.19Å; V155-M272 HydrophobicContact CG1-SD 4.26Å; V155-M272 HydrophobicContact CG2-SD 4.25Å; E268-M272 WeakPolarHBondContact O-CB 3.19Å; E268-M272 WeakPolarHBondContact O-CG 3.37Å; E268-M272 PolarHBondContact O-N 3.46Å; M269-M272 HydrophobicContact CG-CE 4.16Å; M269-M272 PolarHBondContact O-N 3.28Å; M272-R274 PolarHBondContact O-N 3.47Å; M272-R275 PolarHBondContact O-N 3.25Å; M272-A276 WeakPolarHBondContact O-CB 3.4Å; M272-A276 PolarHBondContact O-N 2.8Å; M272-F397 HydrophobicContact CB-CE1 4.22Å; M272-F397 HydrophobicContact CB-CZ 4.43Å; M272-F397 HydrophobicContact CE-CE1 4.41Å; M272-F397 HydrophobicContact CG-CE1 4.28Å; M272-F397 HydrophobicContact SD-CD1 4Å; M272-F397 HydrophobicContact SD-CE1 3.46Å; M272-F397 WeakPolarHBondContact SD-CE1 3.38Å
273	R	47.2	Very low	45.7	Very low	112 Å²	112	69.8 Å²	69.8	42%	0.423	29%	0.294	S	S	.	.	H	α-helix	trans	-59.3	-44.9	173.2	-77.3	179.9	179.6	176.3	0.2	112.5	M269 A270 R275 A276 Y277 V340 N344	M269-R273 WeakPolarHBondContact O-CG 3.26Å; M269-R273 PolarHBondContact O-N 3.44Å; A270-R273 PolarHBondContact O-N 3.42Å; R273-R275 VanDerWaalsContact C-N 3.32Å; R273-R275 PolarHBondContact O-N 3.45Å; R273-A276 PolarHBondContact O-N 2.85Å; R273-Y277 WeakPolarHBondContact O-CB 3.37Å; R273-Y277 PolarHBondContact O-N 2.85Å; R273-V340 HydrophobicContact CG-CG1 3.9Å; R273-N344 PolarHBondContact NH2-ND2 2.96Å; R273-N344 PolarHBondContact NH2-OD1 3.04Å
274	R	47.6	Very low	45.5	Very low	170 Å²	170	66.7 Å²	66.7	64%	0.642	29%	0.292	S	S	*	.	H	α-helix	trans	-62	-40.5	176.6	-70.4	-180	-148.8	-171	3.8	111.7	A270 R271 M272 Y277 R278	A270-R274 WeakPolarHBondContact O-CG 3.46Å; A270-R274 PolarHBondContact O-N 3.39Å; R271-R274 PolarHBondContact O-N 2.86Å; M272-R274 PolarHBondContact O-N 3.47Å; R274-Y277 PolarHBondContact O-N 3.47Å; R274-R278 WeakPolarHBondContact O-CG 3.48Å; R274-R278 PolarHBondContact O-N 2.7Å
275	R	46.2	Very low	45.4	Very low	82 Å²	82	67.1 Å²	67.1	31%	0.309	29%	0.294	S	S	.	.	H	α-helix	trans	-65.8	-44.8	175.3	-71.6	-175.8	-171.3	151.1	7	112.1	S151 R271 M272 R273 Y277 R278 I279	S151-R275 VanDerWaalsContact OG-CZ 3.29Å; S151-R275 PolarHBondContact OG-NH1 2.95Å; S151-R275 PolarHBondContact OG-NH2 3.5Å; R271-R275 WeakPolarHBondContact O-CG 3.09Å; R271-R275 PolarHBondContact O-N 2.88Å; M272-R275 PolarHBondContact O-N 3.25Å; R273-R275 VanDerWaalsContact C-N 3.32Å; R273-R275 PolarHBondContact O-N 3.45Å; R275-Y277 VanDerWaalsContact C-N 3.32Å; R275-Y277 PolarHBondContact O-N 3.34Å; R275-R278 PolarHBondContact O-N 3.23Å; R275-I279 VanDerWaalsContact O-CG1 3.29Å; R275-I279 WeakPolarHBondContact O-CG1 3.4Å; R275-I279 PolarHBondContact O-N 3.24Å
276	A	43.9	Very low	45.2	Very low	9 Å²	9	68.7 Å²	68.7	7%	0.074	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-44	175.7	0	0	0	0	0	112	M272 R273 I279 R280 L336	M272-A276 WeakPolarHBondContact O-CB 3.4Å; M272-A276 PolarHBondContact O-N 2.8Å; R273-A276 PolarHBondContact O-N 2.85Å; A276-I279 PolarHBondContact O-N 2.73Å; A276-R280 WeakPolarHBondContact O-CG 3.33Å; A276-R280 PolarHBondContact O-N 2.96Å; A276-L336 HydrophobicContact CB-CD2 3.54Å
277	Y	46.2	Very low	45	Very low	140 Å²	140	64.4 Å²	64.4	55%	0.549	29%	0.288	S	S	.	.	H	α-helix	trans	-62.1	-42.6	175.5	179.4	-103.1	0	0	0	112.6	R273 R274 R275 R280 L281	R273-Y277 WeakPolarHBondContact O-CB 3.37Å; R273-Y277 PolarHBondContact O-N 2.85Å; R274-Y277 PolarHBondContact O-N 3.47Å; R275-Y277 VanDerWaalsContact C-N 3.32Å; R275-Y277 PolarHBondContact O-N 3.34Å; Y277-R280 WeakPolarHBondContact O-CB 3.35Å; Y277-R280 PolarHBondContact O-N 3.02Å; Y277-L281 HydrophobicContact CD1-CD1 3.9Å; Y277-L281 HydrophobicContact CE1-CD1 3.27Å; Y277-L281 HydrophobicContact CE1-CG 4.07Å; Y277-L281 PolarHBondContact O-N 3.02Å
278	R	44.9	Very low	44.9	Very low	135 Å²	135	68.3 Å²	68.3	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-62.7	-45.2	174.5	-70.6	179.5	-177.2	-173.7	-0.5	111.6	L143 R274 R275 R280 L281 A282	L143-R278 HydrophobicContact CD2-CB 3.71Å; L143-R278 VanDerWaalsContact CD2-O 3.29Å; L143-R278 WeakPolarHBondContact CD2-O 3.13Å; R274-R278 WeakPolarHBondContact O-CG 3.48Å; R274-R278 PolarHBondContact O-N 2.7Å; R275-R278 PolarHBondContact O-N 3.23Å; R278-R280 PolarHBondContact O-N 3.17Å; R278-L281 PolarHBondContact O-N 3.32Å; R278-A282 WeakPolarHBondContact O-CB 3.43Å; R278-A282 PolarHBondContact O-N 3.18Å
279	I	45.8	Very low	44.5	Very low	22 Å²	22	72 Å²	72	11%	0.113	32%	0.322	C	S	.	.	H	α-helix	trans	-58	-39.3	176.6	-68.6	169.1	0	0	0	110.7	L143 R275 A276 H283 L405 M408	L143-I279 VanDerWaalsContact CD2-CA 3.44Å; L143-I279 HydrophobicContact CD2-CB 4.28Å; L143-I279 HydrophobicContact CD2-CG1 3.83Å; L143-I279 VanDerWaalsContact CD2-N 3.28Å; R275-I279 VanDerWaalsContact O-CG1 3.29Å; R275-I279 WeakPolarHBondContact O-CG1 3.4Å; R275-I279 PolarHBondContact O-N 3.24Å; A276-I279 PolarHBondContact O-N 2.73Å; I279-H283 WeakPolarHBondContact O-CB 3.44Å; I279-H283 PolarHBondContact O-N 2.72Å; I279-L405 HydrophobicContact CD1-CD2 4.38Å; I279-M408 HydrophobicContact CG2-CE 3.72Å; I279-M408 HydrophobicContact CG2-SD 4.01Å
280	R	44	Very low	44.1	Very low	81 Å²	81	75.3 Å²	75.3	31%	0.306	34%	0.339	S	S	.	.	H	α-helix	trans	-63.5	-50.7	174.1	-79	161.5	155.5	-144.1	-26.8	112.8	A276 Y277 R278 A282 H283 V284 L333 D337	A276-R280 WeakPolarHBondContact O-CG 3.33Å; A276-R280 PolarHBondContact O-N 2.96Å; Y277-R280 WeakPolarHBondContact O-CB 3.35Å; Y277-R280 PolarHBondContact O-N 3.02Å; R278-R280 PolarHBondContact O-N 3.17Å; R280-A282 VanDerWaalsContact C-N 3.29Å; R280-A282 PolarHBondContact O-N 3.33Å; R280-H283 WeakPolarHBondContact O-CB 3.48Å; R280-H283 PolarHBondContact O-N 2.75Å; R280-H283 VanDerWaalsContact O-N 3.15Å; R280-V284 WeakPolarHBondContact O-CG2 3.47Å; R280-V284 PolarHBondContact O-N 2.87Å; R280-L333 HydrophobicContact CG-CD2 3.46Å; R280-L333 VanDerWaalsContact CG-CD2 3.46Å; R280-D337 VanDerWaalsContact CZ-CG 3.49Å; R280-D337 IonicContact CZ-OD1 2.69Å; R280-D337 IonicContact CZ-OD2 3.88Å; R280-D337 IonicContact NE-OD1 2.54Å; R280-D337 PolarHBondContact NE-OD1 3.06Å; R280-D337 IonicContact NE-OD2 2.94Å; R280-D337 IonicContact NH1-OD1 3.36Å; R280-D337 PolarHBondContact NH1-OD1 3.27Å; R280-D337 IonicContact NH2-OD1 2.88Å; R280-D337 PolarHBondContact NH2-OD1 2.82Å; R280-D337 IonicContact NH2-OD2 3.67Å; R280-D337 PolarHBondContact NH2-OD2 2.77Å
281	L	45.1	Very low	43.6	Very low	80 Å²	80	78.2 Å²	78.2	42%	0.419	35%	0.349	S	S	.	.	H	α-helix	trans	-56.6	-47.1	177.9	-83.7	171	0	0	0	111.3	Y277 R278 H283 V284 E285	Y277-L281 HydrophobicContact CD1-CD1 3.9Å; Y277-L281 HydrophobicContact CE1-CD1 3.27Å; Y277-L281 HydrophobicContact CE1-CG 4.07Å; Y277-L281 PolarHBondContact O-N 3.02Å; R278-L281 PolarHBondContact O-N 3.32Å; L281-H283 PolarHBondContact O-N 3.47Å; L281-V284 PolarHBondContact O-N 3.46Å; L281-V284 VanDerWaalsContact O-N 3.16Å; L281-E285 PolarHBondContact O-N 3.01Å
282	A	42.6	Very low	42.8	Very low	4 Å²	4	75.9 Å²	75.9	3%	0.033	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-41.1	175.7	0	0	0	0	0	113.5	V139 L143 R278 R280 V284 E285 L286	V139-A282 HydrophobicContact CB-CB 4.29Å; V139-A282 HydrophobicContact CG1-CB 3.38Å; V139-A282 HydrophobicContact CG2-CB 4.02Å; L143-A282 HydrophobicContact CD1-CB 3.43Å; L143-A282 VanDerWaalsContact CD1-CB 3.43Å; L143-A282 HydrophobicContact CD2-CB 3.79Å; L143-A282 HydrophobicContact CG-CB 3.77Å; R278-A282 WeakPolarHBondContact O-CB 3.43Å; R278-A282 PolarHBondContact O-N 3.18Å; R280-A282 VanDerWaalsContact C-N 3.29Å; R280-A282 PolarHBondContact O-N 3.33Å; A282-V284 VanDerWaalsContact C-N 3.34Å; A282-E285 PolarHBondContact O-N 3.08Å; A282-L286 VanDerWaalsContact O-CB 3.32Å; A282-L286 WeakPolarHBondContact O-CB 3.46Å; A282-L286 WeakPolarHBondContact O-CG 3.34Å; A282-L286 PolarHBondContact O-N 3.39Å
283	H	43.6	Very low	42.3	Very low	32 Å²	32	79.5 Å²	79.5	15%	0.148	37%	0.374	C	S	.	.	H	α-helix	trans	-62.5	-43.1	174.1	-172.6	-34.9	0	0	0	110.8	I279 R280 L281 L286 M287 L333 M408	I279-H283 WeakPolarHBondContact O-CB 3.44Å; I279-H283 PolarHBondContact O-N 2.72Å; R280-H283 WeakPolarHBondContact O-CB 3.48Å; R280-H283 PolarHBondContact O-N 2.75Å; R280-H283 VanDerWaalsContact O-N 3.15Å; L281-H283 PolarHBondContact O-N 3.47Å; H283-L286 PolarHBondContact O-N 3.26Å; H283-M287 WeakPolarHBondContact CE1-CG 3.32Å; H283-M287 VanDerWaalsContact ND1-CG 3.31Å; H283-M287 WeakPolarHBondContact ND1-CG 3.24Å; H283-M287 WeakPolarHBondContact O-CB 3.3Å; H283-M287 VanDerWaalsContact O-CG 3.27Å; H283-M287 WeakPolarHBondContact O-CG 3.43Å; H283-M287 PolarHBondContact O-N 2.95Å; H283-L333 HydrophobicContact CB-CD1 4.28Å; H283-L333 WeakPolarHBondContact CD2-CD1 3.4Å; H283-M408 HydrophobicContact CB-CE 3.73Å
284	V	43.4	Very low	41.7	Very low	95 Å²	95	79.7 Å²	79.7	58%	0.576	39%	0.388	S	S	*	.	H	α-helix	trans	-63.3	-43	177.5	172	0	0	0	0	110.7	R280 L281 A282 M287 R288	R280-V284 WeakPolarHBondContact O-CG2 3.47Å; R280-V284 PolarHBondContact O-N 2.87Å; L281-V284 PolarHBondContact O-N 3.46Å; L281-V284 VanDerWaalsContact O-N 3.16Å; A282-V284 VanDerWaalsContact C-N 3.34Å; V284-M287 PolarHBondContact O-N 3.49Å; V284-R288 PolarHBondContact O-N 2.83Å
285	E	43.2	Very low	40.9	Very low	67 Å²	67	79.5 Å²	79.5	31%	0.313	39%	0.392	S	S	.	.	H	α-helix	trans	-64.6	-41.3	175.3	-91.1	177.8	152.5	0	0	113.1	L135 L281 A282 M287 R288 P289	L135-E285 HydrophobicContact CD2-CB 3.88Å; L135-E285 HydrophobicContact CD2-CG 4.17Å; L281-E285 PolarHBondContact O-N 3.01Å; A282-E285 PolarHBondContact O-N 3.08Å; E285-M287 VanDerWaalsContact C-N 3.27Å; E285-M287 PolarHBondContact O-N 3.01Å; E285-R288 WeakPolarHBondContact O-CB 3.27Å; E285-R288 PolarHBondContact O-N 3.34Å; E285-P289 WeakPolarHBondContact O-CD 3.48Å
286	L	40.8	Very low	40.4	Very low	42 Å²	42	83.3 Å²	83.3	22%	0.22	41%	0.406	C	S	.	.	H	α-helix	trans	-65.2	-30.5	175.2	-81.5	163.1	0	0	0	112.7	A136 V139 A282 H283 P289	A136-L286 HydrophobicContact CB-CD2 4.11Å; V139-L286 HydrophobicContact CG1-CD1 3.99Å; V139-L286 HydrophobicContact CG1-CG 4.5Å; A282-L286 VanDerWaalsContact O-CB 3.32Å; A282-L286 WeakPolarHBondContact O-CB 3.46Å; A282-L286 WeakPolarHBondContact O-CG 3.34Å; A282-L286 PolarHBondContact O-N 3.39Å; H283-L286 PolarHBondContact O-N 3.26Å; L286-P289 WeakPolarHBondContact O-CD 3.11Å
287	M	41.9	Very low	40.2	Very low	23 Å²	23	86.2 Å²	86.2	11%	0.113	43%	0.425	C	S	.	.	H	α-helix	trans	-89.2	-12	177.3	-66.6	-58.8	-67.6	0	0	113.4	H283 V284 E285 P289 L290 N291 Q329	H283-M287 WeakPolarHBondContact CE1-CG 3.32Å; H283-M287 VanDerWaalsContact ND1-CG 3.31Å; H283-M287 WeakPolarHBondContact ND1-CG 3.24Å; H283-M287 WeakPolarHBondContact O-CB 3.3Å; H283-M287 VanDerWaalsContact O-CG 3.27Å; H283-M287 WeakPolarHBondContact O-CG 3.43Å; H283-M287 PolarHBondContact O-N 2.95Å; V284-M287 PolarHBondContact O-N 3.49Å; E285-M287 VanDerWaalsContact C-N 3.27Å; E285-M287 PolarHBondContact O-N 3.01Å; M287-P289 VanDerWaalsContact C-CD 3.46Å; M287-L290 HydrophobicContact CE-CB 4.3Å; M287-L290 HydrophobicContact CE-CD1 3.96Å; M287-L290 PolarHBondContact O-N 3.44Å; M287-L290 HydrophobicContact SD-CD1 3.78Å; M287-N291 PolarHBondContact O-N 3.32Å; M287-Q329 PolarHBondContact SD-OE1 2.87Å
288	R	43.9	Very low	39.8	Very low	160 Å²	160	86.8 Å²	86.8	60%	0.604	43%	0.433	S	S	*	.	H	α-helix	trans	-56.6	-41	-180	-172	-178.4	-98.1	166.3	-8.3	113	V284 E285 L290 N291 S292	V284-R288 PolarHBondContact O-N 2.83Å; E285-R288 WeakPolarHBondContact O-CB 3.27Å; E285-R288 PolarHBondContact O-N 3.34Å; R288-L290 VanDerWaalsContact C-N 3.28Å; R288-L290 PolarHBondContact O-N 3.05Å; R288-N291 PolarHBondContact O-N 3.09Å; R288-S292 WeakPolarHBondContact O-CB 3.27Å; R288-S292 PolarHBondContact O-N 2.92Å
289	P	38	Very low	39.5	Very low	82 Å²	82	86.8 Å²	86.8	53%	0.532	44%	0.439	S	S	.	.	H	α-helix	trans	-68	-26.1	175	-16	29.4	0	0	0	113.6	E285 L286 M287 S292	E285-P289 WeakPolarHBondContact O-CD 3.48Å; L286-P289 WeakPolarHBondContact O-CD 3.11Å; M287-P289 VanDerWaalsContact C-CD 3.46Å; P289-S292 PolarHBondContact O-OG 3.28Å
290	L	38.2	Very low	39.2	Very low	85 Å²	85	92.5 Å²	92.5	45%	0.445	47%	0.465	S	S	.	.	H	α-helix	trans	-85.9	-22.1	-178.8	-69	168.4	0	0	0	112.6	M287 R288 F411	M287-L290 HydrophobicContact CE-CB 4.3Å; M287-L290 HydrophobicContact CE-CD1 3.96Å; M287-L290 PolarHBondContact O-N 3.44Å; M287-L290 HydrophobicContact SD-CD1 3.78Å; R288-L290 VanDerWaalsContact C-N 3.28Å; R288-L290 PolarHBondContact O-N 3.05Å; L290-F411 HydrophobicContact CD1-CZ 3.94Å
291	N	36.2	Very low	38.8	Very low	95 Å²	95	95.6 Å²	95.6	51%	0.508	48%	0.483	S	S	.	.	H	α-helix	trans	-105.9	-7.3	178.7	-68.2	-28.9	0	0	0	113.3	M287 R288	M287-N291 PolarHBondContact O-N 3.32Å; R288-N291 PolarHBondContact O-N 3.09Å
292	S	31	Very low	38.6	Very low	56 Å²	56	98.9 Å²	98.9	39%	0.392	50%	0.5	S	S	.	.	S	Bend	trans	-72.8	125.2	169.5	64.7	0	0	0	0	108.3	R288 P289 V294	R288-S292 WeakPolarHBondContact O-CB 3.27Å; R288-S292 PolarHBondContact O-N 2.92Å; P289-S292 PolarHBondContact O-OG 3.28Å; S292-V294 PolarHBondContact O-N 3.44Å
293	P	33.5	Very low	38.5	Very low	98 Å²	98	102.7 Å²	102.7	64%	0.636	53%	0.531	S	S	*	.			trans	-63.7	109.5	163.9	29	-29.5	0	0	0	105.1	K295	P293-K295 HydrophobicContact CB-CG 4.19Å; P293-K295 PolarHBondContact O-N 3.44Å
294	V	34.9	Very low	38.1	Very low	115 Å²	115	109.6 Å²	109.6	70%	0.697	56%	0.561	S	S	*	*			trans	-66.1	73.2	159.8	-178.7	0	0	0	0	105.3	S292 R296	S292-V294 PolarHBondContact O-N 3.44Å; V294-R296 PolarHBondContact O-N 2.99Å
295	K	30.8	Very low	37.5	Very low	167 Å²	167	108.2 Å²	108.2	73%	0.726	57%	0.565	S	S	*	*			trans	-72.1	102.5	167.1	-94.2	176.8	179.4	-179.2	0	104.9	P293 S297	P293-K295 HydrophobicContact CB-CG 4.19Å; P293-K295 PolarHBondContact O-N 3.44Å; K295-S297 PolarHBondContact O-N 3.44Å
296	R	36.8	Very low	36.9	Very low	162 Å²	162	111.9 Å²	111.9	61%	0.611	59%	0.592	S	S	*	*	S	Bend	trans	56.1	35.8	133.5	-61	-174.8	165.1	154.8	-0.7	117.5	V294 E299 Q300	V294-R296 PolarHBondContact O-N 2.99Å; R296-E299 HydrophobicContact CB-CB 4.39Å; R296-E299 HydrophobicContact CG-CB 4.49Å; R296-E299 IonicContact NE-OE2 2.88Å; R296-E299 PolarHBondContact NE-OE2 3.46Å; R296-Q300 WeakPolarHBondContact O-CB 3.38Å; R296-Q300 PolarHBondContact O-N 2.95Å
297	S	39.1	Very low	36.4	Very low	69 Å²	69	117.4 Å²	117.4	48%	0.483	62%	0.621	S	S	.	*	H	α-helix	trans	-78.6	-31.7	163.9	56.1	0	0	0	0	111.7	K295 Q301	K295-S297 PolarHBondContact O-N 3.44Å; S297-Q301 VanDerWaalsContact O-CB 3.32Å; S297-Q301 WeakPolarHBondContact O-CB 3.4Å; S297-Q301 WeakPolarHBondContact O-CG 3.41Å; S297-Q301 PolarHBondContact O-N 2.91Å
298	E	38.2	Very low	35.8	Very low	153 Å²	153	121.5 Å²	121.5	72%	0.715	65%	0.649	S	S	*	*	H	α-helix	trans	-76.9	-37.2	175.7	-70.8	180	166.1	0	0	112.1	Q300 I302	E298-Q300 VanDerWaalsContact C-N 3.34Å; E298-Q300 PolarHBondContact O-N 2.94Å; E298-I302 VanDerWaalsContact O-CD1 3.3Å; E298-I302 WeakPolarHBondContact O-CD1 3.28Å; E298-I302 WeakPolarHBondContact O-CG1 3.49Å; E298-I302 PolarHBondContact O-N 2.99Å
299	E	39.2	Very low	35.2	Very low	135 Å²	135	122 Å²	122	63%	0.631	66%	0.663	S	S	*	*	H	α-helix	trans	-71.6	-22	172.2	-79.8	-179.1	160.3	0	0	113.9	R296	R296-E299 HydrophobicContact CB-CB 4.39Å; R296-E299 HydrophobicContact CG-CB 4.49Å; R296-E299 IonicContact NE-OE2 2.88Å; R296-E299 PolarHBondContact NE-OE2 3.46Å
300	Q	38.1	Very low	34.6	Very low	141 Å²	141	125.6 Å²	125.6	66%	0.659	68%	0.676	S	S	*	*	H	α-helix	trans	-93.4	-19.1	174	-79.6	-177.4	-38	0	0	114.3	R296 E298	R296-Q300 WeakPolarHBondContact O-CB 3.38Å; R296-Q300 PolarHBondContact O-N 2.95Å; E298-Q300 VanDerWaalsContact C-N 3.34Å; E298-Q300 PolarHBondContact O-N 2.94Å
301	Q	36.2	Very low	34.1	Very low	147 Å²	147	126.1 Å²	126.1	69%	0.687	68%	0.683	S	S	*	*	H	α-helix	trans	-84.7	-26.7	172.4	-76.4	-176.5	-5.8	0	0	112.7	S297 A303 K304	S297-Q301 VanDerWaalsContact O-CB 3.32Å; S297-Q301 WeakPolarHBondContact O-CB 3.4Å; S297-Q301 WeakPolarHBondContact O-CG 3.41Å; S297-Q301 PolarHBondContact O-N 2.91Å; Q301-A303 PolarHBondContact O-N 3.39Å; Q301-K304 PolarHBondContact O-N 3.48Å; Q301-K304 VanDerWaalsContact O-O 3.13Å
302	I	39.9	Very low	33.6	Very low	149 Å²	149	130.9 Å²	130.9	76%	0.764	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-17.3	171.6	-64	164.5	0	0	0	111.9	E298	E298-I302 VanDerWaalsContact O-CD1 3.3Å; E298-I302 WeakPolarHBondContact O-CD1 3.28Å; E298-I302 WeakPolarHBondContact O-CG1 3.49Å; E298-I302 PolarHBondContact O-N 2.99Å
303	A	41.8	Very low	33.4	Very low	83 Å²	83	136.7 Å²	136.7	69%	0.686	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-3.9	176.1	0	0	0	0	0	114.8	Q301	Q301-A303 PolarHBondContact O-N 3.39Å
304	K	34.1	Very low	33.2	Very low	178 Å²	178	137.2 Å²	137.2	77%	0.774	72%	0.724	S	S	*	*	S	Bend	trans	-121.4	100.6	173.2	-75.5	-174.9	177.2	-178.2	0	108.2	Q301	Q301-K304 PolarHBondContact O-N 3.48Å; Q301-K304 VanDerWaalsContact O-O 3.13Å
305	G	31.1	Very low	32.9	Very low	65 Å²	65	137.5 Å²	137.5	67%	0.67	73%	0.731	S	S	*	*			trans	-53.3	169.1	-171.3	0	0	0	0	0	115.5
306	T	30.6	Very low	32.9	Very low	144 Å²	144	138.7 Å²	138.7	88%	0.883	74%	0.739	S	S	*	*			trans	78.3	65.8	170.2	35.1	0	0	0	0	118.3
307	I	31.1	Very low	32.6	Very low	159 Å²	159	139.9 Å²	139.9	82%	0.815	75%	0.752	S	S	*	*			trans	-145	125.8	139.7	-51.9	179.8	0	0	0	108.7
308	P	28.9	Very low	31.9	Very low	109 Å²	109	145.6 Å²	145.6	71%	0.708	77%	0.773	S	S	*	*			trans	-76.8	131.2	-179.6	30.6	-31	0	0	0	111.3	L310	P308-L310 PolarHBondContact O-N 3Å
309	L	30.3	Very low	31.4	Very low	170 Å²	170	142.5 Å²	142.5	89%	0.89	77%	0.773	S	S	*	*			trans	-63.4	118	172	-93.5	109.9	0	0	0	110.4
310	L	26.3	Very low	30.8	Very low	157 Å²	157	142.1 Å²	142.1	82%	0.822	78%	0.781	S	S	*	*			trans	-136.3	55.5	172.2	-113.4	160.2	0	0	0	110.4	P308	P308-L310 PolarHBondContact O-N 3Å
311	V	28.5	Very low	30.3	Very low	97 Å²	97	144.8 Å²	144.8	59%	0.588	79%	0.786	S	S	*	*			trans	-155.2	102.7	146.9	-173.4	0	0	0	0	107.8	F313	V311-F313 HydrophobicContact CB-CD2 4.41Å; V311-F313 HydrophobicContact CB-CE2 4.14Å; V311-F313 HydrophobicContact CG1-CD2 3.82Å; V311-F313 HydrophobicContact CG1-CE2 3.56Å; V311-F313 HydrophobicContact CG1-CG 4.43Å; V311-F313 HydrophobicContact CG1-CZ 3.97Å; V311-F313 PolarHBondContact O-N 3Å
312	E	24.4	Very low	29.9	Very low	195 Å²	195	145.8 Å²	145.8	91%	0.911	79%	0.791	S	S	*	*			trans	-68.8	109	162.6	-74.8	-179.2	155.7	0	0	108.5
313	F	28	Very low	29.4	Very low	178 Å²	178	144.2 Å²	144.2	78%	0.781	79%	0.79	S	S	*	*			trans	-85	125.1	161.7	-78.5	-81.7	0	0	0	108.5	V311 S315	V311-F313 HydrophobicContact CB-CD2 4.41Å; V311-F313 HydrophobicContact CB-CE2 4.14Å; V311-F313 HydrophobicContact CG1-CD2 3.82Å; V311-F313 HydrophobicContact CG1-CE2 3.56Å; V311-F313 HydrophobicContact CG1-CG 4.43Å; V311-F313 HydrophobicContact CG1-CZ 3.97Å; V311-F313 PolarHBondContact O-N 3Å; F313-S315 PolarHBondContact O-N 3.23Å; F313-S315 VanDerWaalsContact O-N 3.16Å
314	P	29.7	Very low	28.9	Very low	109 Å²	109	147.4 Å²	147.4	71%	0.708	79%	0.789	S	S	*	*			trans	-68.9	116.1	-178	26.5	-31.4	0	0	0	110.2	Q316	P314-Q316 PolarHBondContact O-N 3.02Å; P314-Q316 VanDerWaalsContact O-N 3.09Å
315	S	27.8	Very low	28.8	Very low	120 Å²	120	142 Å²	142	84%	0.839	78%	0.777	S	S	*	*			trans	12.8	81.7	158	63	0	0	0	0	116.2	F313	F313-S315 PolarHBondContact O-N 3.23Å; F313-S315 VanDerWaalsContact O-N 3.16Å
316	Q	31.1	Very low	29.1	Very low	193 Å²	193	145.7 Å²	145.7	90%	0.902	78%	0.777	S	S	*	*			trans	-92.6	122	157.9	-84.6	-174.5	-9.7	0	0	108.9	P314 M318	P314-Q316 PolarHBondContact O-N 3.02Å; P314-Q316 VanDerWaalsContact O-N 3.09Å; Q316-M318 PolarHBondContact O-N 3.31Å
317	Q	29.3	Very low	29.3	Very low	187 Å²	187	146.3 Å²	146.3	87%	0.874	77%	0.77	S	S	*	*			trans	-38.5	131.2	172.2	-71.2	167.6	-23.1	0	0	111.1	A319	Q317-A319 VanDerWaalsContact C-N 3.3Å; Q317-A319 PolarHBondContact O-N 3.47Å
318	M	26.1	Very low	29.3	Very low	189 Å²	189	149 Å²	149	93%	0.931	77%	0.77	S	S	*	*			trans	-49.6	95.3	165	-82.1	-176.8	150.3	0	0	109.3	Q316 T320	Q316-M318 PolarHBondContact O-N 3.31Å; M318-T320 VanDerWaalsContact C-N 3.29Å; M318-T320 PolarHBondContact O-N 2.88Å
319	A	26.2	Very low	29.8	Very low	87 Å²	87	146.1 Å²	146.1	72%	0.719	75%	0.747	S	S	*	*			trans	-66.6	99.5	160.8	0	0	0	0	0	105.6	Q317 Y321	Q317-A319 VanDerWaalsContact C-N 3.3Å; Q317-A319 PolarHBondContact O-N 3.47Å; A319-Y321 PolarHBondContact O-N 2.87Å
320	T	26.4	Very low	30	Very low	128 Å²	128	142.1 Å²	142.1	79%	0.785	73%	0.725	S	S	*	*			trans	-42.6	114.2	167.5	33.7	0	0	0	0	108.9	M318 Q322	M318-T320 VanDerWaalsContact C-N 3.29Å; M318-T320 PolarHBondContact O-N 2.88Å; T320-Q322 VanDerWaalsContact C-N 3.34Å; T320-Q322 PolarHBondContact O-N 3.33Å
321	Y	29.3	Very low	30.6	Very low	197 Å²	197	139.9 Å²	139.9	77%	0.773	71%	0.714	S	S	*	*			trans	-54.7	98.9	169.5	-109.3	-100.6	0	0	0	107.6	A319 P323	A319-Y321 PolarHBondContact O-N 2.87Å; Y321-P323 WeakPolarHBondContact O-CD 3.46Å
322	Q	27.1	Very low	31.2	Very low	167 Å²	167	136.2 Å²	136.2	78%	0.78	69%	0.693	S	S	*	*			trans	-80	108.6	165.9	-130.7	-179.2	13.5	0	0	105.2	T320 F324	T320-Q322 VanDerWaalsContact C-N 3.34Å; T320-Q322 PolarHBondContact O-N 3.33Å; Q322-F324 PolarHBondContact O-N 2.79Å
323	P	28.3	Very low	31.9	Very low	116 Å²	116	128 Å²	128	75%	0.753	66%	0.655	S	S	*	*			trans	-58.9	111.6	171.8	23.9	-30.7	0	0	0	106.4	Y321 A325	Y321-P323 WeakPolarHBondContact O-CD 3.46Å; P323-A325 VanDerWaalsContact C-N 3.32Å; P323-A325 PolarHBondContact O-N 2.96Å
324	F	31.6	Very low	32.6	Very low	151 Å²	151	123.9 Å²	123.9	66%	0.662	64%	0.641	S	S	*	*			trans	-58.2	102.7	171.2	-99.4	-94.7	0	0	0	106.3	Q322 Q326	Q322-F324 PolarHBondContact O-N 2.79Å; F324-Q326 PolarHBondContact O-N 2.93Å
325	A	33.3	Very low	33.4	Very low	63 Å²	63	122.1 Å²	122.1	52%	0.521	63%	0.629	S	S	.	*			trans	-47.3	115.2	178.6	0	0	0	0	0	108.7	P323 E327 R328	P323-A325 VanDerWaalsContact C-N 3.32Å; P323-A325 PolarHBondContact O-N 2.96Å; A325-E327 PolarHBondContact O-N 2.77Å; A325-R328 PolarHBondContact O-N 2.89Å; A325-R328 VanDerWaalsContact O-N 3.13Å
326	Q	37	Very low	34.1	Very low	144 Å²	144	116.6 Å²	116.6	67%	0.673	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	-16.3	-175.1	-78.5	171.6	-24.3	0	0	113.5	F324 I330	F324-Q326 PolarHBondContact O-N 2.93Å; Q326-I330 VanDerWaalsContact O-CD1 3.3Å; Q326-I330 WeakPolarHBondContact O-CD1 3.37Å; Q326-I330 WeakPolarHBondContact O-CG1 3.44Å
327	E	33.9	Very low	34.8	Very low	157 Å²	157	109.4 Å²	109.4	73%	0.734	56%	0.557	S	S	*	*	H	α-helix	trans	-74.8	-25.4	179.8	-69.3	-176.6	146.1	0	0	115.3	A325	A325-E327 PolarHBondContact O-N 2.77Å
328	R	32.3	Very low	35.7	Very low	215 Å²	215	103 Å²	103	81%	0.811	54%	0.537	S	S	*	.	H	α-helix	trans	-83.8	-18.6	-171.8	-75.1	-171.7	177.8	-174.6	1.1	115.3	A325	A325-R328 PolarHBondContact O-N 2.89Å; A325-R328 VanDerWaalsContact O-N 3.13Å
329	Q	37.9	Very low	36.5	Very low	49 Å²	49	94.5 Å²	94.5	23%	0.229	50%	0.496	C	S	.	.	H	α-helix	trans	-98.3	-26.3	-179.1	-74.6	-175.9	-10	0	0	114.2	M287 N331 S332	M287-Q329 PolarHBondContact SD-OE1 2.87Å; Q329-N331 VanDerWaalsContact C-N 3.26Å; Q329-N331 PolarHBondContact O-N 3.18Å; Q329-S332 PolarHBondContact O-OG 3.44Å
330	I	35.6	Very low	37.4	Very low	85 Å²	85	91.4 Å²	91.4	44%	0.436	47%	0.468	S	S	.	.	H	α-helix	trans	-68.6	-25.6	-178.8	-60.6	172.8	0	0	0	111.9	Q326 S332 L333 N334	Q326-I330 VanDerWaalsContact O-CD1 3.3Å; Q326-I330 WeakPolarHBondContact O-CD1 3.37Å; Q326-I330 WeakPolarHBondContact O-CG1 3.44Å; I330-S332 PolarHBondContact O-N 3.37Å; I330-L333 PolarHBondContact O-N 3.43Å; I330-N334 VanDerWaalsContact CG2-ND2 3.29Å; I330-N334 WeakPolarHBondContact CG2-ND2 3.47Å; I330-N334 PolarHBondContact O-N 2.92Å
331	N	39.3	Very low	38.5	Very low	110 Å²	110	89 Å²	89	59%	0.588	46%	0.457	S	S	*	.	H	α-helix	trans	-62.1	-34.3	-176.4	-82.1	-22	0	0	0	114.6	Q329 T335	Q329-N331 VanDerWaalsContact C-N 3.26Å; Q329-N331 PolarHBondContact O-N 3.18Å; N331-T335 WeakPolarHBondContact O-CB 3.41Å; N331-T335 VanDerWaalsContact O-CG2 3.31Å; N331-T335 WeakPolarHBondContact O-CG2 3.49Å; N331-T335 PolarHBondContact O-N 2.82Å; N331-T335 PolarHBondContact O-OG1 2.95Å
332	S	41.3	Very low	39.6	Very low	21 Å²	21	86.5 Å²	86.5	15%	0.147	45%	0.45	C	S	.	.	H	α-helix	trans	-76.4	-28.5	178.1	43.8	0	0	0	0	113.2	Q329 I330 T335 L336	Q329-S332 PolarHBondContact O-OG 3.44Å; I330-S332 PolarHBondContact O-N 3.37Å; S332-T335 VanDerWaalsContact CA-OG1 3.28Å; S332-T335 WeakPolarHBondContact CA-OG1 3.31Å; S332-T335 PolarHBondContact O-OG1 3.31Å; S332-L336 PolarHBondContact O-N 3.42Å
333	L	38.5	Very low	40.5	Very low	22 Å²	22	78.9 Å²	78.9	12%	0.115	41%	0.414	C	S	.	.	H	α-helix	trans	-78.3	-43.9	177	-86.5	165.8	0	0	0	111.4	R280 H283 I330 T335 L336 D337	R280-L333 HydrophobicContact CG-CD2 3.46Å; R280-L333 VanDerWaalsContact CG-CD2 3.46Å; H283-L333 HydrophobicContact CB-CD1 4.28Å; H283-L333 WeakPolarHBondContact CD2-CD1 3.4Å; I330-L333 PolarHBondContact O-N 3.43Å; L333-T335 VanDerWaalsContact C-N 3.28Å; L333-T335 PolarHBondContact O-N 3.35Å; L333-L336 WeakPolarHBondContact O-CA 3.42Å; L333-L336 WeakPolarHBondContact O-CB 3.38Å; L333-L336 PolarHBondContact O-N 2.75Å; L333-D337 PolarHBondContact O-N 3.5Å; L333-D337 VanDerWaalsContact O-N 3.1Å; L333-D337 VanDerWaalsContact O-OD2 3.05Å
334	N	43.1	Very low	41.5	Very low	91 Å²	91	75 Å²	75	49%	0.487	39%	0.387	S	S	.	.	H	α-helix	trans	-63.7	-34.1	175.8	-73.5	-3.3	0	0	0	112.5	I330 L336 D337 A338	I330-N334 VanDerWaalsContact CG2-ND2 3.29Å; I330-N334 WeakPolarHBondContact CG2-ND2 3.47Å; I330-N334 PolarHBondContact O-N 2.92Å; N334-L336 VanDerWaalsContact C-N 3.31Å; N334-D337 PolarHBondContact O-N 3.2Å; N334-A338 WeakPolarHBondContact O-CB 3.26Å; N334-A338 PolarHBondContact O-N 3.21Å
335	T	45.9	Very low	42.4	Very low	72 Å²	72	70.9 Å²	70.9	44%	0.442	37%	0.372	S	S	.	.	H	α-helix	trans	-69	-30.3	173.1	43.9	0	0	0	0	112.3	N331 S332 L333 S339	N331-T335 WeakPolarHBondContact O-CB 3.41Å; N331-T335 VanDerWaalsContact O-CG2 3.31Å; N331-T335 WeakPolarHBondContact O-CG2 3.49Å; N331-T335 PolarHBondContact O-N 2.82Å; N331-T335 PolarHBondContact O-OG1 2.95Å; S332-T335 VanDerWaalsContact CA-OG1 3.28Å; S332-T335 WeakPolarHBondContact CA-OG1 3.31Å; S332-T335 PolarHBondContact O-OG1 3.31Å; L333-T335 VanDerWaalsContact C-N 3.28Å; L333-T335 PolarHBondContact O-N 3.35Å; T335-S339 PolarHBondContact O-N 2.72Å; T335-S339 VanDerWaalsContact O-N 3.07Å; T335-S339 PolarHBondContact O-OG 3.23Å
336	L	42.4	Very low	43.2	Very low	5 Å²	5	68.9 Å²	68.9	3%	0.026	35%	0.353	C	S	.	.	H	α-helix	trans	-65.6	-45.9	172.5	-155.4	98.5	0	0	0	111.2	A276 S332 L333 N334 S339 V340 F397 T400 I401	A276-L336 HydrophobicContact CB-CD2 3.54Å; S332-L336 PolarHBondContact O-N 3.42Å; L333-L336 WeakPolarHBondContact O-CA 3.42Å; L333-L336 WeakPolarHBondContact O-CB 3.38Å; L333-L336 PolarHBondContact O-N 2.75Å; N334-L336 VanDerWaalsContact C-N 3.31Å; L336-S339 PolarHBondContact O-N 2.73Å; L336-S339 PolarHBondContact O-OG 2.85Å; L336-V340 WeakPolarHBondContact O-CG2 3.29Å; L336-V340 PolarHBondContact O-N 3.47Å; L336-F397 HydrophobicContact CD1-CE2 4.39Å; L336-F397 HydrophobicContact CG-CE2 4.07Å; L336-T400 HydrophobicContact CD1-CG2 4.21Å; L336-I401 HydrophobicContact CD1-CG1 3.72Å
337	D	44.9	Very low	43.7	Very low	41 Å²	41	62.3 Å²	62.3	22%	0.219	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-41	177.5	-59.1	-57	0	0	0	112.6	R280 L333 N334 S339 V340 S341	R280-D337 VanDerWaalsContact CZ-CG 3.49Å; R280-D337 IonicContact CZ-OD1 2.69Å; R280-D337 IonicContact CZ-OD2 3.88Å; R280-D337 IonicContact NE-OD1 2.54Å; R280-D337 PolarHBondContact NE-OD1 3.06Å; R280-D337 IonicContact NE-OD2 2.94Å; R280-D337 IonicContact NH1-OD1 3.36Å; R280-D337 PolarHBondContact NH1-OD1 3.27Å; R280-D337 IonicContact NH2-OD1 2.88Å; R280-D337 PolarHBondContact NH2-OD1 2.82Å; R280-D337 IonicContact NH2-OD2 3.67Å; R280-D337 PolarHBondContact NH2-OD2 2.77Å; L333-D337 PolarHBondContact O-N 3.5Å; L333-D337 VanDerWaalsContact O-N 3.1Å; L333-D337 VanDerWaalsContact O-OD2 3.05Å; N334-D337 PolarHBondContact O-N 3.2Å; D337-S339 PolarHBondContact O-N 3.03Å; D337-V340 PolarHBondContact O-N 2.88Å; D337-S341 WeakPolarHBondContact O-CB 3.29Å; D337-S341 PolarHBondContact O-N 3.33Å; D337-S341 PolarHBondContact O-OG 3.18Å
338	A	48.7	Very low	44.4	Very low	53 Å²	53	57.8 Å²	57.8	44%	0.438	30%	0.301	S	S	.	.	H	α-helix	trans	-59.7	-37.6	175.4	0	0	0	0	0	111.3	N334 K342	N334-A338 WeakPolarHBondContact O-CB 3.26Å; N334-A338 PolarHBondContact O-N 3.21Å; A338-K342 WeakPolarHBondContact O-CB 3.36Å; A338-K342 WeakPolarHBondContact O-CG 3.35Å; A338-K342 PolarHBondContact O-N 2.84Å
339	S	44	Very low	45.3	Very low	11 Å²	11	50.7 Å²	50.7	8%	0.077	28%	0.276	C	S	.	.	H	α-helix	trans	-78.3	-33.5	177.8	40.5	0	0	0	0	113	T335 L336 D337 L343	T335-S339 PolarHBondContact O-N 2.72Å; T335-S339 VanDerWaalsContact O-N 3.07Å; T335-S339 PolarHBondContact O-OG 3.23Å; L336-S339 PolarHBondContact O-N 2.73Å; L336-S339 PolarHBondContact O-OG 2.85Å; D337-S339 PolarHBondContact O-N 3.03Å; S339-L343 WeakPolarHBondContact O-CB 3.48Å; S339-L343 PolarHBondContact O-N 2.86Å
340	V	43.9	Very low	45.8	Very low	21 Å²	21	50 Å²	50	13%	0.127	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-44	167.6	175.2	0	0	0	0	111.5	R273 L336 D337 L343 N344 F397	R273-V340 HydrophobicContact CG-CG1 3.9Å; L336-V340 WeakPolarHBondContact O-CG2 3.29Å; L336-V340 PolarHBondContact O-N 3.47Å; D337-V340 PolarHBondContact O-N 2.88Å; V340-L343 PolarHBondContact O-N 3.02Å; V340-N344 WeakPolarHBondContact O-CB 3.39Å; V340-N344 PolarHBondContact O-N 3.42Å; V340-F397 HydrophobicContact CB-CE2 4.48Å; V340-F397 HydrophobicContact CG2-CD2 4.2Å; V340-F397 HydrophobicContact CG2-CE2 3.32Å; V340-F397 HydrophobicContact CG2-CZ 3.78Å
341	S	50.1	Low	46.3	Very low	79 Å²	79	49 Å²	49	55%	0.552	27%	0.266	S	S	*	.	H	α-helix	trans	-65.1	-43.5	179.4	-78.8	0	0	0	0	111.9	D337 L343 N344 D345	D337-S341 WeakPolarHBondContact O-CB 3.29Å; D337-S341 PolarHBondContact O-N 3.33Å; D337-S341 PolarHBondContact O-OG 3.18Å; S341-L343 VanDerWaalsContact C-N 3.33Å; S341-L343 PolarHBondContact O-N 3.38Å; S341-N344 PolarHBondContact O-N 2.76Å; S341-D345 WeakPolarHBondContact O-CB 3.47Å; S341-D345 PolarHBondContact O-N 3.38Å
342	K	52.8	Low	46.5	Very low	144 Å²	144	48 Å²	48	63%	0.626	26%	0.261	S	S	*	.	H	α-helix	trans	-60.3	-41.8	173.4	-79.4	-179.2	179	-177.7	0	112.4	A338 N344 D345 L346	A338-K342 WeakPolarHBondContact O-CB 3.36Å; A338-K342 WeakPolarHBondContact O-CG 3.35Å; A338-K342 PolarHBondContact O-N 2.84Å; K342-N344 VanDerWaalsContact C-N 3.32Å; K342-N344 PolarHBondContact O-N 2.54Å; K342-D345 PolarHBondContact O-N 3.28Å; K342-L346 VanDerWaalsContact O-CG 3.26Å; K342-L346 WeakPolarHBondContact O-CG 3.17Å; K342-L346 PolarHBondContact O-N 3.07Å
343	L	45.9	Very low	46.7	Very low	6 Å²	6	49.6 Å²	49.6	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-38.2	178.8	-140.4	138.5	0	0	0	111.3	M269 S339 V340 S341 V347 V394 F397	M269-L343 HydrophobicContact CG-CD2 3.88Å; M269-L343 HydrophobicContact SD-CD2 3.59Å; M269-L343 VanDerWaalsContact SD-CD2 3.59Å; S339-L343 WeakPolarHBondContact O-CB 3.48Å; S339-L343 PolarHBondContact O-N 2.86Å; V340-L343 PolarHBondContact O-N 3.02Å; S341-L343 VanDerWaalsContact C-N 3.33Å; S341-L343 PolarHBondContact O-N 3.38Å; L343-V347 VanDerWaalsContact O-CG2 3.32Å; L343-V347 WeakPolarHBondContact O-CG2 3.3Å; L343-V347 PolarHBondContact O-N 3.24Å; L343-V347 VanDerWaalsContact O-N 3.07Å; L343-V394 HydrophobicContact CD1-CB 4.33Å; L343-V394 HydrophobicContact CD1-CG2 3.71Å; L343-V394 HydrophobicContact CD2-CG2 4.31Å; L343-V394 HydrophobicContact CG-CG2 4.13Å; L343-F397 HydrophobicContact CD1-CB 3.96Å; L343-F397 HydrophobicContact CD1-CD1 4.42Å; L343-F397 HydrophobicContact CD1-CG 4.23Å
344	N	49.6	Very low	46.9	Very low	34 Å²	34	51.3 Å²	51.3	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-42.9	175.5	-166.3	49	0	0	0	112.6	R273 V340 S341 K342 L346 V347 Q348	R273-N344 PolarHBondContact NH2-ND2 2.96Å; R273-N344 PolarHBondContact NH2-OD1 3.04Å; V340-N344 WeakPolarHBondContact O-CB 3.39Å; V340-N344 PolarHBondContact O-N 3.42Å; S341-N344 PolarHBondContact O-N 2.76Å; K342-N344 VanDerWaalsContact C-N 3.32Å; K342-N344 PolarHBondContact O-N 2.54Å; N344-L346 VanDerWaalsContact C-N 3.35Å; N344-L346 PolarHBondContact O-N 2.88Å; N344-V347 PolarHBondContact O-N 3.43Å; N344-Q348 WeakPolarHBondContact O-CG 3.23Å; N344-Q348 PolarHBondContact O-N 3.03Å
345	D	50.9	Low	46.8	Very low	66 Å²	66	50 Å²	50	35%	0.353	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-44.7	176.1	-178.4	45.7	0	0	0	111.3	S341 K342 V347 Q348 K349	S341-D345 WeakPolarHBondContact O-CB 3.47Å; S341-D345 PolarHBondContact O-N 3.38Å; K342-D345 PolarHBondContact O-N 3.28Å; D345-V347 PolarHBondContact O-N 3.33Å; D345-Q348 PolarHBondContact O-N 2.97Å; D345-K349 WeakPolarHBondContact O-CG 3.5Å; D345-K349 PolarHBondContact O-N 3.49Å; D345-K349 VanDerWaalsContact OD1-CE 3.23Å; D345-K349 WeakPolarHBondContact OD1-CE 3.33Å; D345-K349 IonicContact OD1-NZ 3.38Å; D345-K349 PolarHBondContact OD1-NZ 3.44Å; D345-K349 WeakPolarHBondContact OD2-CE 3.11Å; D345-K349 IonicContact OD2-NZ 3.77Å; D345-K349 PolarHBondContact OD2-NZ 3.1Å
346	L	48.9	Very low	46.4	Very low	21 Å²	21	48.2 Å²	48.2	11%	0.11	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-38.4	176.2	-66.3	169.5	0	0	0	112.5	K342 N344 K349 M350 W386 L390 A393	K342-L346 VanDerWaalsContact O-CG 3.26Å; K342-L346 WeakPolarHBondContact O-CG 3.17Å; K342-L346 PolarHBondContact O-N 3.07Å; N344-L346 VanDerWaalsContact C-N 3.35Å; N344-L346 PolarHBondContact O-N 2.88Å; L346-K349 PolarHBondContact O-N 2.94Å; L346-M350 PolarHBondContact O-N 2.89Å; L346-W386 HydrophobicContact CD2-CE3 3.8Å; L346-W386 HydrophobicContact CD2-CH2 4.08Å; L346-W386 HydrophobicContact CD2-CZ3 3.27Å; L346-W386 HydrophobicContact CG-CZ3 4.45Å; L346-L390 HydrophobicContact CB-CD1 3.83Å; L346-L390 HydrophobicContact CD1-CD1 4.27Å; L346-A393 HydrophobicContact CD1-CB 3.42Å; L346-A393 VanDerWaalsContact CD1-CB 3.42Å
347	V	47.1	Very low	46.2	Very low	5 Å²	5	50.6 Å²	50.6	3%	0.03	28%	0.275	C	S	.	.	H	α-helix	trans	-68.8	-36	175.8	171.1	0	0	0	0	111.8	I265 M269 L343 N344 D345 M350 H351 L390	I265-V347 HydrophobicContact CG2-CG2 3.91Å; M269-V347 HydrophobicContact CE-CB 3.8Å; M269-V347 HydrophobicContact CE-CG1 3.66Å; M269-V347 HydrophobicContact CE-CG2 3.77Å; M269-V347 HydrophobicContact SD-CB 4.31Å; M269-V347 HydrophobicContact SD-CG2 3.78Å; L343-V347 VanDerWaalsContact O-CG2 3.32Å; L343-V347 WeakPolarHBondContact O-CG2 3.3Å; L343-V347 PolarHBondContact O-N 3.24Å; L343-V347 VanDerWaalsContact O-N 3.07Å; N344-V347 PolarHBondContact O-N 3.43Å; D345-V347 PolarHBondContact O-N 3.33Å; V347-M350 HydrophobicContact CB-CE 4.42Å; V347-M350 HydrophobicContact CG2-CE 3.92Å; V347-M350 WeakPolarHBondContact O-CB 3.31Å; V347-M350 PolarHBondContact O-N 3.15Å; V347-H351 PolarHBondContact O-N 2.9Å; V347-H351 VanDerWaalsContact O-N 3.09Å; V347-L390 HydrophobicContact CG2-CD1 4.47Å
348	Q	49.5	Very low	45.7	Very low	62 Å²	62	52.1 Å²	52.1	29%	0.29	29%	0.286	S	S	.	.	H	α-helix	trans	-66.2	-42	174.4	-76.9	178.4	-35.9	0	0	111.4	W34 N344 D345 M350 H351 L352	W34-Q348 VanDerWaalsContact CZ3-NE2 3.33Å; N344-Q348 WeakPolarHBondContact O-CG 3.23Å; N344-Q348 PolarHBondContact O-N 3.03Å; D345-Q348 PolarHBondContact O-N 2.97Å; Q348-M350 VanDerWaalsContact C-N 3.35Å; Q348-M350 PolarHBondContact O-N 3.27Å; Q348-H351 WeakPolarHBondContact O-CA 3.47Å; Q348-H351 VanDerWaalsContact O-CB 3.3Å; Q348-H351 WeakPolarHBondContact O-CB 3.36Å; Q348-H351 PolarHBondContact O-N 3.42Å; Q348-L352 PolarHBondContact O-N 3.44Å
349	K	51.4	Low	45	Very low	66 Å²	66	53.6 Å²	53.6	29%	0.287	30%	0.298	S	S	.	.	H	α-helix	trans	-66	-34.6	175.6	-68.8	176.9	-177.3	161.4	0	112.8	D345 L346 H351 L352 L353 W386	D345-K349 WeakPolarHBondContact O-CG 3.5Å; D345-K349 PolarHBondContact O-N 3.49Å; D345-K349 VanDerWaalsContact OD1-CE 3.23Å; D345-K349 WeakPolarHBondContact OD1-CE 3.33Å; D345-K349 IonicContact OD1-NZ 3.38Å; D345-K349 PolarHBondContact OD1-NZ 3.44Å; D345-K349 WeakPolarHBondContact OD2-CE 3.11Å; D345-K349 IonicContact OD2-NZ 3.77Å; D345-K349 PolarHBondContact OD2-NZ 3.1Å; L346-K349 PolarHBondContact O-N 2.94Å; K349-H351 VanDerWaalsContact C-N 3.28Å; K349-H351 PolarHBondContact O-N 3.31Å; K349-L352 PolarHBondContact O-N 3.42Å; K349-L353 PolarHBondContact O-N 3.2Å; K349-L353 VanDerWaalsContact O-N 3.1Å; K349-W386 HydrophobicContact CB-CE3 4.15Å; K349-W386 HydrophobicContact CB-CH2 3.86Å; K349-W386 HydrophobicContact CB-CZ3 3.5Å; K349-W386 VanDerWaalsContact CB-CZ3 3.5Å; K349-W386 HydrophobicContact CD-CH2 3.02Å; K349-W386 HydrophobicContact CD-CZ2 3.91Å; K349-W386 HydrophobicContact CD-CZ3 3.44Å; K349-W386 VanDerWaalsContact CD-CZ3 3.44Å; K349-W386 HydrophobicContact CG-CH2 4.03Å; K349-W386 HydrophobicContact CG-CZ3 4.09Å
350	M	47.7	Very low	44.5	Very low	34 Å²	34	61.4 Å²	61.4	17%	0.167	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-34.9	167	-90.3	-166.7	-64	0	0	112.9	L262 L346 V347 Q348 R354 L390	L262-M350 HydrophobicContact CD2-CB 4.41Å; L262-M350 HydrophobicContact CD2-CE 4.08Å; L262-M350 HydrophobicContact CD2-SD 4.14Å; L346-M350 PolarHBondContact O-N 2.89Å; V347-M350 HydrophobicContact CB-CE 4.42Å; V347-M350 HydrophobicContact CG2-CE 3.92Å; V347-M350 WeakPolarHBondContact O-CB 3.31Å; V347-M350 PolarHBondContact O-N 3.15Å; Q348-M350 VanDerWaalsContact C-N 3.35Å; Q348-M350 PolarHBondContact O-N 3.27Å; M350-R354 PolarHBondContact O-N 2.94Å; M350-L390 HydrophobicContact CE-CD1 4.13Å; M350-L390 HydrophobicContact CE-CD2 3.44Å; M350-L390 VanDerWaalsContact CE-CD2 3.44Å; M350-L390 HydrophobicContact CE-CG 4.42Å; M350-L390 HydrophobicContact SD-CD2 3.97Å
351	H	46.6	Very low	44	Very low	65 Å²	65	66.3 Å²	66.3	30%	0.301	35%	0.353	S	S	.	.	H	α-helix	trans	-69.9	-41.7	178	-155.5	33.5	0	0	0	111.8	R266 V347 Q348 K349 R354 T355	R266-H351 PolarHBondContact NH2-CD2 2.88Å; R266-H351 PolarHBondContact NH2-CE1 2.97Å; R266-H351 PolarHBondContact NH2-ND1 3.31Å; R266-H351 PolarHBondContact NH2-NE2 3.38Å; V347-H351 PolarHBondContact O-N 2.9Å; V347-H351 VanDerWaalsContact O-N 3.09Å; Q348-H351 WeakPolarHBondContact O-CA 3.47Å; Q348-H351 VanDerWaalsContact O-CB 3.3Å; Q348-H351 WeakPolarHBondContact O-CB 3.36Å; Q348-H351 PolarHBondContact O-N 3.42Å; K349-H351 VanDerWaalsContact C-N 3.28Å; K349-H351 PolarHBondContact O-N 3.31Å; H351-R354 WeakPolarHBondContact O-CB 3.2Å; H351-R354 PolarHBondContact O-N 3.17Å; H351-T355 PolarHBondContact O-N 3.37Å; H351-T355 PolarHBondContact O-OG1 3.17Å
352	L	44.2	Very low	43.2	Very low	89 Å²	89	66 Å²	66	47%	0.466	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-43.7	176.8	-74.2	166.5	0	0	0	112.3	Q348 K349 R354 T355 S356	Q348-L352 PolarHBondContact O-N 3.44Å; K349-L352 PolarHBondContact O-N 3.42Å; L352-R354 PolarHBondContact O-N 2.89Å; L352-T355 WeakPolarHBondContact CA-OG1 3.39Å; L352-T355 PolarHBondContact O-N 3.01Å; L352-T355 VanDerWaalsContact O-N 3.16Å; L352-T355 PolarHBondContact O-OG1 3.39Å; L352-S356 PolarHBondContact O-N 3.04Å; L352-S356 PolarHBondContact O-OG 2.93Å
353	L	43.6	Very low	42.2	Very low	54 Å²	54	63.1 Å²	63.1	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-63.5	-28.3	175.3	-79.6	165.4	0	0	0	113.5	K349 S356	K349-L353 PolarHBondContact O-N 3.2Å; K349-L353 VanDerWaalsContact O-N 3.1Å; L353-S356 WeakPolarHBondContact CA-OG 3.29Å; L353-S356 PolarHBondContact O-OG 2.88Å
354	R	43.6	Very low	41.5	Very low	58 Å²	58	67 Å²	67	22%	0.219	37%	0.371	C	S	.	.	H	α-helix	trans	-77.1	-37.2	173.7	176.6	-178.6	153.7	-163	-11.7	111.8	M350 H351 L352 S356 S357	M350-R354 PolarHBondContact O-N 2.94Å; H351-R354 WeakPolarHBondContact O-CB 3.2Å; H351-R354 PolarHBondContact O-N 3.17Å; L352-R354 PolarHBondContact O-N 2.89Å; R354-S356 VanDerWaalsContact C-N 3.29Å; R354-S357 PolarHBondContact O-N 3.49Å; R354-S357 PolarHBondContact O-OG 3.01Å
355	T	40.5	Very low	40.6	Very low	64 Å²	64	70.3 Å²	70.3	39%	0.393	38%	0.38	S	S	.	.	H	α-helix	trans	-69.4	-30.5	176.9	43.8	0	0	0	0	111.9	H351 L352 S357 T358	H351-T355 PolarHBondContact O-N 3.37Å; H351-T355 PolarHBondContact O-OG1 3.17Å; L352-T355 WeakPolarHBondContact CA-OG1 3.39Å; L352-T355 PolarHBondContact O-N 3.01Å; L352-T355 VanDerWaalsContact O-N 3.16Å; L352-T355 PolarHBondContact O-OG1 3.39Å; T355-S357 VanDerWaalsContact C-N 3.31Å; T355-S357 PolarHBondContact O-N 3.48Å; T355-T358 PolarHBondContact O-OG1 3.09Å
356	S	38.3	Very low	39.7	Very low	35 Å²	35	71.3 Å²	71.3	25%	0.245	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-14	174	59.5	0	0	0	0	114.5	L352 L353 R354	L352-S356 PolarHBondContact O-N 3.04Å; L352-S356 PolarHBondContact O-OG 2.93Å; L353-S356 WeakPolarHBondContact CA-OG 3.29Å; L353-S356 PolarHBondContact O-OG 2.88Å; R354-S356 VanDerWaalsContact C-N 3.29Å
357	S	37.1	Very low	38.8	Very low	55 Å²	55	74.7 Å²	74.7	39%	0.385	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	12.1	178.7	67.8	0	0	0	0	114.3	R354 T355	R354-S357 PolarHBondContact O-N 3.49Å; R354-S357 PolarHBondContact O-OG 3.01Å; T355-S357 VanDerWaalsContact C-N 3.31Å; T355-S357 PolarHBondContact O-N 3.48Å
358	T	35	Very low	38.3	Very low	72 Å²	72	80.4 Å²	80.4	44%	0.442	44%	0.444	S	S	.	.	S	Bend	trans	-77.6	142.3	168.7	51.9	0	0	0	0	109.7	T355 E360 K361 I362	T355-T358 PolarHBondContact O-OG1 3.09Å; T358-E360 PolarHBondContact O-N 3.23Å; T358-K361 PolarHBondContact O-N 3.27Å; T358-I362 PolarHBondContact O-N 3.44Å
359	A	34.4	Very low	37.8	Very low	84 Å²	84	86.1 Å²	86.1	69%	0.694	47%	0.468	S	S	*	.	H	α-helix	trans	-52.9	-27.9	-169.6	0	0	0	0	0	114.4	K361	A359-K361 PolarHBondContact O-N 3.36Å
360	E	32.8	Very low	37.1	Very low	175 Å²	175	90.2 Å²	90.2	82%	0.818	49%	0.488	S	S	*	.	H	α-helix	trans	-71.6	-22.5	177.4	-73.2	176.2	158.5	0	0	114.5	T358 S363	T358-E360 PolarHBondContact O-N 3.23Å; E360-S363 PolarHBondContact O-OG 2.85Å
361	K	33.7	Very low	36.5	Very low	125 Å²	125	91.1 Å²	91.1	54%	0.543	51%	0.505	S	S	.	.	H	α-helix	trans	-104.5	-6.3	177.5	-73.4	-169.2	176.3	-170.8	0	114.2	T358 A359 S363 S364	T358-K361 PolarHBondContact O-N 3.27Å; A359-K361 PolarHBondContact O-N 3.36Å; K361-S363 VanDerWaalsContact C-N 3.29Å; K361-S364 PolarHBondContact O-OG 3.25Å; K361-S364 VanDerWaalsContact O-OG 3.14Å
362	I	34.1	Very low	36.1	Very low	71 Å²	71	93 Å²	93	36%	0.364	51%	0.514	S	S	.	.	H	α-helix	trans	-74.7	-23.9	175.3	-63.6	173.6	0	0	0	111.1	T358 S364 W365 L366	T358-I362 PolarHBondContact O-N 3.44Å; I362-S364 PolarHBondContact O-N 3.41Å; I362-W365 WeakPolarHBondContact O-CB 3.18Å; I362-W365 PolarHBondContact O-N 2.96Å; I362-L366 HydrophobicContact CG2-CD1 4.47Å; I362-L366 PolarHBondContact O-N 3.11Å
363	S	31.1	Very low	35.8	Very low	84 Å²	84	95.4 Å²	95.4	59%	0.587	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.1	176.8	54.1	0	0	0	0	113.1	E360 K361 W365	E360-S363 PolarHBondContact O-OG 2.85Å; K361-S363 VanDerWaalsContact C-N 3.29Å; S363-W365 VanDerWaalsContact C-N 3.29Å; S363-W365 PolarHBondContact O-N 3.2Å
364	S	31.3	Very low	35.3	Very low	89 Å²	89	96.1 Å²	96.1	62%	0.622	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.7	176.2	68	0	0	0	0	114.1	K361 I362	K361-S364 PolarHBondContact O-OG 3.25Å; K361-S364 VanDerWaalsContact O-OG 3.14Å; I362-S364 PolarHBondContact O-N 3.41Å
365	W	31.2	Very low	35.5	Very low	102 Å²	102	95.7 Å²	95.7	39%	0.386	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-14.6	179.2	-72.1	65	0	0	0	113.1	I362 S363 V367 I379	I362-W365 WeakPolarHBondContact O-CB 3.18Å; I362-W365 PolarHBondContact O-N 2.96Å; S363-W365 VanDerWaalsContact C-N 3.29Å; S363-W365 PolarHBondContact O-N 3.2Å; W365-V367 VanDerWaalsContact C-N 3.3Å; W365-V367 PolarHBondContact O-N 3.29Å; W365-V367 VanDerWaalsContact O-N 3.12Å; W365-I379 HydrophobicContact CE3-CD1 3.85Å; W365-I379 HydrophobicContact CE3-CG1 4.36Å; W365-I379 HydrophobicContact CZ3-CD1 3.81Å; W365-I379 HydrophobicContact CZ3-CG1 3.81Å
366	L	30.7	Very low	35.4	Very low	87 Å²	87	94.3 Å²	94.3	46%	0.455	53%	0.528	S	S	.	.			trans	-78.8	84.5	165.8	-86.2	147.4	0	0	0	107.7	I362 P368 E372	I362-L366 HydrophobicContact CG2-CD1 4.47Å; I362-L366 PolarHBondContact O-N 3.11Å; L366-P368 WeakPolarHBondContact O-CD 3.45Å; L366-E372 HydrophobicContact CD2-CG 3.94Å; L366-E372 WeakPolarHBondContact CD2-OE1 3.28Å
367	V	32	Very low	35.8	Very low	93 Å²	93	99.2 Å²	99.2	56%	0.564	55%	0.545	S	S	*	.			trans	-78.9	104.6	157.5	-179.7	0	0	0	0	105.5	W365 K369 H370	W365-V367 VanDerWaalsContact C-N 3.3Å; W365-V367 PolarHBondContact O-N 3.29Å; W365-V367 VanDerWaalsContact O-N 3.12Å; V367-K369 HydrophobicContact CG1-CB 4.44Å; V367-K369 PolarHBondContact O-N 3.33Å; V367-H370 PolarHBondContact O-N 3.41Å
368	P	35.5	Very low	36.2	Very low	125 Å²	125	104.5 Å²	104.5	81%	0.812	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-4.4	-172.2	26.9	-34.1	0	0	0	113.5	L366	L366-P368 WeakPolarHBondContact O-CD 3.45Å
369	K	39.8	Very low	36.7	Very low	182 Å²	182	103.9 Å²	103.9	79%	0.791	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-16.6	-175.1	-70.1	-171	174.3	-176.4	0	115.2	V367	V367-K369 HydrophobicContact CG1-CB 4.44Å; V367-K369 PolarHBondContact O-N 3.33Å
370	H	36.6	Very low	37.3	Very low	152 Å²	152	100.5 Å²	100.5	70%	0.704	52%	0.52	S	S	*	.	S	Bend	trans	-136.1	98.6	179.7	-75.2	-25.1	0	0	0	111.4	V367	V367-H370 PolarHBondContact O-N 3.41Å
371	G	35.1	Very low	38.1	Very low	52 Å²	52	100 Å²	100	54%	0.536	52%	0.515	S	S	.	.			trans	9.1	111.7	172	0	0	0	0	0	118	Q373 V374	G371-Q373 PolarHBondContact O-N 3Å; G371-V374 PolarHBondContact O-N 3.2Å
372	E	37.7	Very low	38.8	Very low	105 Å²	105	99.3 Å²	99.3	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-47.5	-20.8	172.9	-74.1	-172.8	110.9	0	0	115.1	R177 L366 T375 A376	R177-E372 IonicContact NH2-OE1 3.43Å; L366-E372 HydrophobicContact CD2-CG 3.94Å; L366-E372 WeakPolarHBondContact CD2-OE1 3.28Å; E372-T375 PolarHBondContact O-OG1 3.21Å; E372-T375 VanDerWaalsContact O-OG1 3.13Å; E372-A376 PolarHBondContact O-N 2.9Å
373	Q	37.4	Very low	39.4	Very low	139 Å²	139	98.3 Å²	98.3	65%	0.65	50%	0.504	S	S	*	.	H	α-helix	trans	-68	-31.5	174.5	-77.4	-167.5	1	0	0	113.5	G371 K377	G371-Q373 PolarHBondContact O-N 3Å; Q373-K377 WeakPolarHBondContact O-CB 3.31Å; Q373-K377 WeakPolarHBondContact O-CG 3.43Å; Q373-K377 PolarHBondContact O-N 2.97Å
374	V	34.4	Very low	40.1	Very low	70 Å²	70	100.5 Å²	100.5	42%	0.424	50%	0.499	S	S	.	.	H	α-helix	trans	-72.1	-41.8	-176	-178.4	0	0	0	0	110.4	G371 R378	G371-V374 PolarHBondContact O-N 3.2Å; V374-R378 WeakPolarHBondContact O-CB 3.38Å; V374-R378 VanDerWaalsContact O-CG 3.27Å; V374-R378 WeakPolarHBondContact O-CG 3.3Å; V374-R378 PolarHBondContact O-N 2.88Å
375	T	46	Very low	41	Very low	49 Å²	49	103.7 Å²	103.7	30%	0.301	50%	0.502	S	S	.	.	H	α-helix	trans	-67.7	-42.4	177.2	47.8	0	0	0	0	111.7	E372 R378 I379	E372-T375 PolarHBondContact O-OG1 3.21Å; E372-T375 VanDerWaalsContact O-OG1 3.13Å; T375-R378 PolarHBondContact O-N 3.48Å; T375-I379 VanDerWaalsContact O-CG1 3.28Å; T375-I379 WeakPolarHBondContact O-CG1 3.45Å; T375-I379 PolarHBondContact O-N 3.15Å
376	A	40.2	Very low	41.9	Very low	34 Å²	34	102.4 Å²	102.4	28%	0.281	50%	0.497	S	S	.	.	H	α-helix	trans	-64.4	-44.6	176	0	0	0	0	0	112.9	E372 R378 I379 H380	E372-A376 PolarHBondContact O-N 2.9Å; A376-R378 VanDerWaalsContact C-N 3.33Å; A376-R378 PolarHBondContact O-N 3.14Å; A376-I379 PolarHBondContact O-N 3.03Å; A376-H380 WeakPolarHBondContact O-CB 3.32Å; A376-H380 PolarHBondContact O-N 3.19Å
377	K	46	Very low	42.5	Very low	139 Å²	139	98.9 Å²	98.9	60%	0.604	48%	0.48	S	S	*	.	H	α-helix	trans	-60.9	-39.9	174.2	-81	179.7	177.4	174.3	0	111.7	Q373 H380 K381	Q373-K377 WeakPolarHBondContact O-CB 3.31Å; Q373-K377 WeakPolarHBondContact O-CG 3.43Å; Q373-K377 PolarHBondContact O-N 2.97Å; K377-H380 PolarHBondContact O-N 3.26Å; K377-K381 WeakPolarHBondContact O-CB 3.49Å; K377-K381 PolarHBondContact O-N 3.45Å
378	R	46.4	Very low	43.2	Very low	165 Å²	165	100.1 Å²	100.1	62%	0.623	48%	0.478	S	S	*	.	H	α-helix	trans	-66.5	-45.4	177	-77.3	178.6	-171.5	-172.3	3.8	112.5	V374 T375 A376 H380 K381 R382	V374-R378 WeakPolarHBondContact O-CB 3.38Å; V374-R378 VanDerWaalsContact O-CG 3.27Å; V374-R378 WeakPolarHBondContact O-CG 3.3Å; V374-R378 PolarHBondContact O-N 2.88Å; T375-R378 PolarHBondContact O-N 3.48Å; A376-R378 VanDerWaalsContact C-N 3.33Å; A376-R378 PolarHBondContact O-N 3.14Å; R378-H380 VanDerWaalsContact C-N 3.29Å; R378-H380 PolarHBondContact O-N 3Å; R378-K381 PolarHBondContact O-N 3.49Å; R378-R382 WeakPolarHBondContact O-CG 3.35Å; R378-R382 PolarHBondContact O-N 2.89Å
379	I	44.8	Very low	43.7	Very low	60 Å²	60	96.3 Å²	96.3	31%	0.308	45%	0.454	S	S	.	.	H	α-helix	trans	-60.8	-41.5	175.2	-67.1	165.2	0	0	0	110.2	W365 T375 A376 R382 M383	W365-I379 HydrophobicContact CE3-CD1 3.85Å; W365-I379 HydrophobicContact CE3-CG1 4.36Å; W365-I379 HydrophobicContact CZ3-CD1 3.81Å; W365-I379 HydrophobicContact CZ3-CG1 3.81Å; T375-I379 VanDerWaalsContact O-CG1 3.28Å; T375-I379 WeakPolarHBondContact O-CG1 3.45Å; T375-I379 PolarHBondContact O-N 3.15Å; A376-I379 PolarHBondContact O-N 3.03Å; I379-R382 PolarHBondContact O-N 3.3Å; I379-M383 HydrophobicContact CG2-CE 4.04Å; I379-M383 HydrophobicContact CG2-CG 4.48Å; I379-M383 WeakPolarHBondContact O-CG 3.48Å; I379-M383 PolarHBondContact O-N 3.37Å
380	H	46	Very low	43.9	Very low	13 Å²	13	88 Å²	88	6%	0.06	42%	0.419	C	S	.	.	H	α-helix	trans	-64.7	-45.7	177.6	-173.3	36.9	0	0	0	113	I170 A376 K377 R378 R382 M383 R384	I170-H380 VanDerWaalsContact CD1-ND1 3.31Å; I170-H380 WeakPolarHBondContact CD1-ND1 3.36Å; I170-H380 HydrophobicContact CG2-CB 4.08Å; I170-H380 WeakPolarHBondContact CG2-CE1 3.42Å; I170-H380 VanDerWaalsContact CG2-CG 3.49Å; I170-H380 WeakPolarHBondContact CG2-ND1 3.32Å; A376-H380 WeakPolarHBondContact O-CB 3.32Å; A376-H380 PolarHBondContact O-N 3.19Å; K377-H380 PolarHBondContact O-N 3.26Å; R378-H380 VanDerWaalsContact C-N 3.29Å; R378-H380 PolarHBondContact O-N 3Å; H380-R382 VanDerWaalsContact C-N 3.27Å; H380-R382 PolarHBondContact O-N 3.41Å; H380-M383 PolarHBondContact O-N 3.15Å; H380-R384 PolarHBondContact CD2-NE 2.99Å; H380-R384 PolarHBondContact CD2-NH2 3.21Å; H380-R384 PolarHBondContact CE1-NE 2.71Å; H380-R384 VanDerWaalsContact CE1-NE 3.27Å; H380-R384 VanDerWaalsContact NE2-CZ 3.28Å; H380-R384 PolarHBondContact NE2-NE 2.98Å; H380-R384 PolarHBondContact NE2-NH2 2.64Å; H380-R384 PolarHBondContact O-N 2.89Å
381	K	50.8	Low	44.3	Very low	164 Å²	164	82.7 Å²	82.7	71%	0.713	40%	0.399	S	S	*	.	H	α-helix	trans	-59.3	-40.6	175.9	-170.7	177.2	-178.6	-179	0	110.9	K377 R378 K385	K377-K381 WeakPolarHBondContact O-CB 3.49Å; K377-K381 PolarHBondContact O-N 3.45Å; R378-K381 PolarHBondContact O-N 3.49Å; K381-K385 WeakPolarHBondContact O-CB 3.11Å; K381-K385 PolarHBondContact O-N 2.86Å; K381-K385 VanDerWaalsContact O-N 3.09Å
382	R	48.3	Very low	44.9	Very low	111 Å²	111	84.7 Å²	84.7	42%	0.419	39%	0.394	S	S	.	.	H	α-helix	trans	-62.2	-54.7	172.6	-73.6	-179.3	179	177.9	-0.2	110.4	R378 I379 H380 R384 K385 W386	R378-R382 WeakPolarHBondContact O-CG 3.35Å; R378-R382 PolarHBondContact O-N 2.89Å; I379-R382 PolarHBondContact O-N 3.3Å; H380-R382 VanDerWaalsContact C-N 3.27Å; H380-R382 PolarHBondContact O-N 3.41Å; R382-R384 VanDerWaalsContact C-N 3.32Å; R382-R384 PolarHBondContact O-N 3.16Å; R382-K385 PolarHBondContact O-N 3.45Å; R382-K385 VanDerWaalsContact O-N 3.09Å; R382-W386 WeakPolarHBondContact O-CB 3.12Å; R382-W386 PolarHBondContact O-N 2.91Å
383	M	45.3	Very low	45.2	Very low	50 Å²	50	80.4 Å²	80.4	25%	0.246	38%	0.377	C	S	.	.	H	α-helix	trans	-55.7	-41.4	-180	-74.1	-159.9	-173.3	0	0	113.4	I166 I170 I379 H380 W386 A387	I166-M383 HydrophobicContact CG2-SD 4.39Å; I170-M383 HydrophobicContact CD1-CB 3.82Å; I170-M383 HydrophobicContact CD1-CG 4.39Å; I170-M383 HydrophobicContact CD1-SD 3.72Å; I170-M383 HydrophobicContact CG1-SD 4.11Å; I379-M383 HydrophobicContact CG2-CE 4.04Å; I379-M383 HydrophobicContact CG2-CG 4.48Å; I379-M383 WeakPolarHBondContact O-CG 3.48Å; I379-M383 PolarHBondContact O-N 3.37Å; H380-M383 PolarHBondContact O-N 3.15Å; M383-W386 PolarHBondContact O-N 3.19Å; M383-A387 WeakPolarHBondContact O-CB 3.42Å; M383-A387 PolarHBondContact O-N 2.93Å
384	R	47.5	Very low	45.5	Very low	130 Å²	130	74.1 Å²	74.1	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-46.5	175.2	-69.6	-168.7	-148.2	168.1	0.6	112.3	H380 R382 W386 A387 F388	H380-R384 PolarHBondContact CD2-NE 2.99Å; H380-R384 PolarHBondContact CD2-NH2 3.21Å; H380-R384 PolarHBondContact CE1-NE 2.71Å; H380-R384 VanDerWaalsContact CE1-NE 3.27Å; H380-R384 VanDerWaalsContact NE2-CZ 3.28Å; H380-R384 PolarHBondContact NE2-NE 2.98Å; H380-R384 PolarHBondContact NE2-NH2 2.64Å; H380-R384 PolarHBondContact O-N 2.89Å; R382-R384 VanDerWaalsContact C-N 3.32Å; R382-R384 PolarHBondContact O-N 3.16Å; R384-W386 VanDerWaalsContact C-N 3.27Å; R384-W386 PolarHBondContact O-N 3.4Å; R384-A387 PolarHBondContact O-N 2.87Å; R384-F388 WeakPolarHBondContact O-CB 3.41Å; R384-F388 PolarHBondContact O-N 3.14Å
385	K	50.1	Low	45.9	Very low	155 Å²	155	75.4 Å²	75.4	67%	0.674	36%	0.356	S	S	*	.	H	α-helix	trans	-60.6	-40.3	178.5	-164.2	179.2	-178.5	-174.6	0	110.7	K381 R382 F388 S389	K381-K385 WeakPolarHBondContact O-CB 3.11Å; K381-K385 PolarHBondContact O-N 2.86Å; K381-K385 VanDerWaalsContact O-N 3.09Å; R382-K385 PolarHBondContact O-N 3.45Å; R382-K385 VanDerWaalsContact O-N 3.09Å; K385-F388 PolarHBondContact O-N 3.4Å; K385-S389 PolarHBondContact O-N 2.97Å; K385-S389 PolarHBondContact O-OG 3.11Å; K385-S389 VanDerWaalsContact O-OG 3.09Å
386	W	48.5	Very low	46	Very low	75 Å²	75	76.5 Å²	76.5	28%	0.284	37%	0.365	S	S	.	.	H	α-helix	trans	-68.1	-44.3	176.9	-83.4	92.4	0	0	0	113.3	L346 K349 R382 M383 R384 F388 S389 L390	L346-W386 HydrophobicContact CD2-CE3 3.8Å; L346-W386 HydrophobicContact CD2-CH2 4.08Å; L346-W386 HydrophobicContact CD2-CZ3 3.27Å; L346-W386 HydrophobicContact CG-CZ3 4.45Å; K349-W386 HydrophobicContact CB-CE3 4.15Å; K349-W386 HydrophobicContact CB-CH2 3.86Å; K349-W386 HydrophobicContact CB-CZ3 3.5Å; K349-W386 VanDerWaalsContact CB-CZ3 3.5Å; K349-W386 HydrophobicContact CD-CH2 3.02Å; K349-W386 HydrophobicContact CD-CZ2 3.91Å; K349-W386 HydrophobicContact CD-CZ3 3.44Å; K349-W386 VanDerWaalsContact CD-CZ3 3.44Å; K349-W386 HydrophobicContact CG-CH2 4.03Å; K349-W386 HydrophobicContact CG-CZ3 4.09Å; R382-W386 WeakPolarHBondContact O-CB 3.12Å; R382-W386 PolarHBondContact O-N 2.91Å; M383-W386 PolarHBondContact O-N 3.19Å; R384-W386 VanDerWaalsContact C-N 3.27Å; R384-W386 PolarHBondContact O-N 3.4Å; W386-F388 VanDerWaalsContact C-N 3.28Å; W386-F388 PolarHBondContact O-N 3.32Å; W386-S389 PolarHBondContact O-N 2.73Å; W386-L390 WeakPolarHBondContact O-CB 3.26Å; W386-L390 PolarHBondContact O-N 3.42Å
387	A	44.9	Very low	46.2	Very low	13 Å²	13	75 Å²	75	11%	0.107	35%	0.353	C	S	.	.	H	α-helix	trans	-60.7	-39.6	175.1	0	0	0	0	0	111.8	I163 M383 R384 L390 S391	I163-A387 HydrophobicContact CG1-CB 4.33Å; I163-A387 HydrophobicContact CG2-CB 4.37Å; M383-A387 WeakPolarHBondContact O-CB 3.42Å; M383-A387 PolarHBondContact O-N 2.93Å; R384-A387 PolarHBondContact O-N 2.87Å; A387-L390 PolarHBondContact O-N 3.48Å; A387-S391 PolarHBondContact O-N 3.31Å
388	F	45.8	Very low	46.1	Very low	119 Å²	119	69.4 Å²	69.4	52%	0.522	33%	0.33	S	S	.	.	H	α-helix	trans	-66.4	-43	173.7	-177.2	-98.1	0	0	0	112.5	R384 K385 W386 L390 S391 Q392	R384-F388 WeakPolarHBondContact O-CB 3.41Å; R384-F388 PolarHBondContact O-N 3.14Å; K385-F388 PolarHBondContact O-N 3.4Å; W386-F388 VanDerWaalsContact C-N 3.28Å; W386-F388 PolarHBondContact O-N 3.32Å; F388-L390 VanDerWaalsContact C-N 3.32Å; F388-L390 PolarHBondContact O-N 2.93Å; F388-S391 PolarHBondContact O-N 2.93Å; F388-S391 PolarHBondContact O-OG 3.24Å; F388-Q392 HydrophobicContact CD1-CG 4.42Å; F388-Q392 HydrophobicContact CE1-CG 4.09Å; F388-Q392 HydrophobicContact CZ-CG 4.21Å; F388-Q392 WeakPolarHBondContact O-CG 3.3Å; F388-Q392 PolarHBondContact O-N 2.93Å
389	S	45.2	Very low	46	Very low	45 Å²	45	62.7 Å²	62.7	32%	0.315	31%	0.312	S	S	.	.	H	α-helix	trans	-63.9	-37.1	175.1	-64.7	0	0	0	0	112.5	K385 W386 A393	K385-S389 PolarHBondContact O-N 2.97Å; K385-S389 PolarHBondContact O-OG 3.11Å; K385-S389 VanDerWaalsContact O-OG 3.09Å; W386-S389 PolarHBondContact O-N 2.73Å; S389-A393 WeakPolarHBondContact O-CB 3.38Å; S389-A393 PolarHBondContact O-N 3.3Å
390	L	44.9	Very low	46	Very low	9 Å²	9	61 Å²	61	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-66.3	-45.9	175.2	-174.8	71.5	0	0	0	111.8	L159 L346 V347 M350 W386 A387 F388 Q392 A393 V394	L159-L390 HydrophobicContact CD2-CD2 3.99Å; L159-L390 HydrophobicContact CD2-CG 4.46Å; L346-L390 HydrophobicContact CB-CD1 3.83Å; L346-L390 HydrophobicContact CD1-CD1 4.27Å; V347-L390 HydrophobicContact CG2-CD1 4.47Å; M350-L390 HydrophobicContact CE-CD1 4.13Å; M350-L390 HydrophobicContact CE-CD2 3.44Å; M350-L390 VanDerWaalsContact CE-CD2 3.44Å; M350-L390 HydrophobicContact CE-CG 4.42Å; M350-L390 HydrophobicContact SD-CD2 3.97Å; W386-L390 WeakPolarHBondContact O-CB 3.26Å; W386-L390 PolarHBondContact O-N 3.42Å; A387-L390 PolarHBondContact O-N 3.48Å; F388-L390 VanDerWaalsContact C-N 3.32Å; F388-L390 PolarHBondContact O-N 2.93Å; L390-Q392 VanDerWaalsContact C-N 3.32Å; L390-Q392 PolarHBondContact O-N 2.96Å; L390-A393 PolarHBondContact O-N 3.3Å; L390-V394 WeakPolarHBondContact O-CG2 3.41Å; L390-V394 PolarHBondContact O-N 2.87Å
391	S	44.8	Very low	45.9	Very low	40 Å²	40	61.7 Å²	61.7	28%	0.28	31%	0.308	S	S	.	.	H	α-helix	trans	-61.7	-42	177.2	71.8	0	0	0	0	111.4	A387 F388 V394 T395	A387-S391 PolarHBondContact O-N 3.31Å; F388-S391 PolarHBondContact O-N 2.93Å; F388-S391 PolarHBondContact O-OG 3.24Å; S391-V394 PolarHBondContact O-N 3.27Å; S391-T395 WeakPolarHBondContact O-CB 3.44Å; S391-T395 PolarHBondContact O-N 3.02Å; S391-T395 PolarHBondContact O-OG1 3.05Å
392	Q	48	Very low	45.6	Very low	93 Å²	93	56.6 Å²	56.6	44%	0.435	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-43.7	175	-76.8	-168.7	-24.2	0	0	112.9	F388 L390 V394 T395 S396	F388-Q392 HydrophobicContact CD1-CG 4.42Å; F388-Q392 HydrophobicContact CE1-CG 4.09Å; F388-Q392 HydrophobicContact CZ-CG 4.21Å; F388-Q392 WeakPolarHBondContact O-CG 3.3Å; F388-Q392 PolarHBondContact O-N 2.93Å; L390-Q392 VanDerWaalsContact C-N 3.32Å; L390-Q392 PolarHBondContact O-N 2.96Å; Q392-V394 VanDerWaalsContact C-N 3.31Å; Q392-V394 PolarHBondContact O-N 3.33Å; Q392-T395 PolarHBondContact O-N 2.97Å; Q392-S396 VanDerWaalsContact O-CB 3.26Å; Q392-S396 WeakPolarHBondContact O-CB 3.48Å; Q392-S396 PolarHBondContact O-N 3.06Å
393	A	44.2	Very low	45.6	Very low	16 Å²	16	58.1 Å²	58.1	13%	0.132	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-39.7	178.6	0	0	0	0	0	111.8	L346 S389 L390 F397	L346-A393 HydrophobicContact CD1-CB 3.42Å; L346-A393 VanDerWaalsContact CD1-CB 3.42Å; S389-A393 WeakPolarHBondContact O-CB 3.38Å; S389-A393 PolarHBondContact O-N 3.3Å; L390-A393 PolarHBondContact O-N 3.3Å; A393-F397 VanDerWaalsContact O-CB 3.31Å; A393-F397 WeakPolarHBondContact O-CB 3.42Å; A393-F397 PolarHBondContact O-N 3.09Å
394	V	43.2	Very low	45.5	Very low	7 Å²	7	56.1 Å²	56.1	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-67.3	-48.8	177.3	173	0	0	0	0	110.7	V155 L159 L343 L390 S391 Q392 S396 F397 V398	V155-V394 HydrophobicContact CG1-CG1 4.34Å; L159-V394 HydrophobicContact CD1-CB 3.96Å; L159-V394 HydrophobicContact CD1-CG1 3.46Å; L159-V394 VanDerWaalsContact CD1-CG1 3.46Å; L159-V394 HydrophobicContact CD1-CG2 3.38Å; L159-V394 HydrophobicContact CD2-CG2 4.48Å; L343-V394 HydrophobicContact CD1-CB 4.33Å; L343-V394 HydrophobicContact CD1-CG2 3.71Å; L343-V394 HydrophobicContact CD2-CG2 4.31Å; L343-V394 HydrophobicContact CG-CG2 4.13Å; L390-V394 WeakPolarHBondContact O-CG2 3.41Å; L390-V394 PolarHBondContact O-N 2.87Å; S391-V394 PolarHBondContact O-N 3.27Å; Q392-V394 VanDerWaalsContact C-N 3.31Å; Q392-V394 PolarHBondContact O-N 3.33Å; V394-S396 VanDerWaalsContact C-N 3.28Å; V394-S396 PolarHBondContact O-N 3.14Å; V394-F397 WeakPolarHBondContact O-CB 3.4Å; V394-F397 PolarHBondContact O-N 3.27Å; V394-F397 VanDerWaalsContact O-N 3.17Å; V394-V398 HydrophobicContact CG1-CG2 4.41Å; V394-V398 WeakPolarHBondContact O-CG2 3.31Å; V394-V398 PolarHBondContact O-N 2.8Å
395	T	43.8	Very low	45.3	Very low	97 Å²	97	51.4 Å²	51.4	60%	0.595	27%	0.272	S	S	*	.	H	α-helix	trans	-60	-40.7	177.7	-59.5	0	0	0	0	111.3	S391 Q392 G399	S391-T395 WeakPolarHBondContact O-CB 3.44Å; S391-T395 PolarHBondContact O-N 3.02Å; S391-T395 PolarHBondContact O-OG1 3.05Å; Q392-T395 PolarHBondContact O-N 2.97Å; T395-G399 PolarHBondContact O-N 3.18Å
396	S	46.5	Very low	45.1	Very low	71 Å²	71	50.3 Å²	50.3	50%	0.497	26%	0.263	S	S	.	.	H	α-helix	trans	-63.8	-43.5	175	179.6	0	0	0	0	112.2	Q392 V394 G399 T400	Q392-S396 VanDerWaalsContact O-CB 3.26Å; Q392-S396 WeakPolarHBondContact O-CB 3.48Å; Q392-S396 PolarHBondContact O-N 3.06Å; V394-S396 VanDerWaalsContact C-N 3.28Å; V394-S396 PolarHBondContact O-N 3.14Å; S396-G399 PolarHBondContact O-N 3.49Å; S396-T400 WeakPolarHBondContact O-CB 3.27Å; S396-T400 PolarHBondContact O-N 3.3Å; S396-T400 PolarHBondContact O-OG1 3.45Å
397	F	44.3	Very low	45.1	Very low	4 Å²	4	52.5 Å²	52.5	2%	0.018	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-47.4	176.8	179.1	-106.7	0	0	0	111.8	M272 L336 V340 L343 A393 V394 G399 T400 I401	M272-F397 HydrophobicContact CB-CE1 4.22Å; M272-F397 HydrophobicContact CB-CZ 4.43Å; M272-F397 HydrophobicContact CE-CE1 4.41Å; M272-F397 HydrophobicContact CG-CE1 4.28Å; M272-F397 HydrophobicContact SD-CD1 4Å; M272-F397 HydrophobicContact SD-CE1 3.46Å; M272-F397 WeakPolarHBondContact SD-CE1 3.38Å; L336-F397 HydrophobicContact CD1-CE2 4.39Å; L336-F397 HydrophobicContact CG-CE2 4.07Å; V340-F397 HydrophobicContact CB-CE2 4.48Å; V340-F397 HydrophobicContact CG2-CD2 4.2Å; V340-F397 HydrophobicContact CG2-CE2 3.32Å; V340-F397 HydrophobicContact CG2-CZ 3.78Å; L343-F397 HydrophobicContact CD1-CB 3.96Å; L343-F397 HydrophobicContact CD1-CD1 4.42Å; L343-F397 HydrophobicContact CD1-CG 4.23Å; A393-F397 VanDerWaalsContact O-CB 3.31Å; A393-F397 WeakPolarHBondContact O-CB 3.42Å; A393-F397 PolarHBondContact O-N 3.09Å; V394-F397 WeakPolarHBondContact O-CB 3.4Å; V394-F397 PolarHBondContact O-N 3.27Å; V394-F397 VanDerWaalsContact O-N 3.17Å; F397-G399 PolarHBondContact O-N 2.78Å; F397-T400 WeakPolarHBondContact O-CB 3.32Å; F397-T400 PolarHBondContact O-N 2.94Å; F397-T400 VanDerWaalsContact O-N 3.11Å; F397-I401 HydrophobicContact CD1-CD1 3.89Å; F397-I401 HydrophobicContact CE1-CD1 3.24Å; F397-I401 HydrophobicContact CE1-CG1 4.19Å; F397-I401 HydrophobicContact CE2-CD1 4.3Å; F397-I401 HydrophobicContact CE2-CG1 4.47Å; F397-I401 HydrophobicContact CZ-CD1 3.5Å; F397-I401 HydrophobicContact CZ-CG1 4.1Å; F397-I401 PolarHBondContact O-N 3.41Å
398	V	44.1	Very low	44.9	Very low	21 Å²	21	53.5 Å²	53.5	13%	0.127	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-46.8	176.5	169.4	0	0	0	0	111.1	I152 V394 T400 I401 E402	I152-V398 HydrophobicContact CG2-CB 4.24Å; I152-V398 HydrophobicContact CG2-CG1 3.36Å; I152-V398 HydrophobicContact CG2-CG2 3.79Å; V394-V398 HydrophobicContact CG1-CG2 4.41Å; V394-V398 WeakPolarHBondContact O-CG2 3.31Å; V394-V398 PolarHBondContact O-N 2.8Å; V398-T400 PolarHBondContact O-N 3.28Å; V398-I401 PolarHBondContact O-N 3.38Å; V398-E402 PolarHBondContact O-N 3.27Å
399	G	44.3	Very low	44.8	Very low	23 Å²	23	51 Å²	51	24%	0.237	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-31.4	176.2	0	0	0	0	0	112.9	T395 S396 F397 K403	T395-G399 PolarHBondContact O-N 3.18Å; S396-G399 PolarHBondContact O-N 3.49Å; F397-G399 PolarHBondContact O-N 2.78Å; G399-K403 WeakPolarHBondContact O-CB 3.45Å; G399-K403 VanDerWaalsContact O-CG 3.28Å; G399-K403 WeakPolarHBondContact O-CG 3.44Å; G399-K403 PolarHBondContact O-N 3.31Å
400	T	46.1	Very low	44.9	Very low	25 Å²	25	54.3 Å²	54.3	15%	0.153	28%	0.28	C	S	.	.	H	α-helix	trans	-73.3	-40.8	176.6	-54	0	0	0	0	111.4	L336 S396 F397 V398 T404	L336-T400 HydrophobicContact CD1-CG2 4.21Å; S396-T400 WeakPolarHBondContact O-CB 3.27Å; S396-T400 PolarHBondContact O-N 3.3Å; S396-T400 PolarHBondContact O-OG1 3.45Å; F397-T400 WeakPolarHBondContact O-CB 3.32Å; F397-T400 PolarHBondContact O-N 2.94Å; F397-T400 VanDerWaalsContact O-N 3.11Å; V398-T400 PolarHBondContact O-N 3.28Å; T400-T404 WeakPolarHBondContact O-CB 3.34Å; T400-T404 PolarHBondContact O-N 2.96Å; T400-T404 PolarHBondContact O-OG1 3.18Å
401	I	43.4	Very low	44.7	Very low	27 Å²	27	56.8 Å²	56.8	14%	0.138	29%	0.291	C	S	.	.	H	α-helix	trans	-57.5	-50.8	170.1	-72.4	170.9	0	0	0	109.8	I152 L336 F397 V398 K403 T404 L405	I152-I401 HydrophobicContact CD1-CG2 4.44Å; L336-I401 HydrophobicContact CD1-CG1 3.72Å; F397-I401 HydrophobicContact CD1-CD1 3.89Å; F397-I401 HydrophobicContact CE1-CD1 3.24Å; F397-I401 HydrophobicContact CE1-CG1 4.19Å; F397-I401 HydrophobicContact CE2-CD1 4.3Å; F397-I401 HydrophobicContact CE2-CG1 4.47Å; F397-I401 HydrophobicContact CZ-CD1 3.5Å; F397-I401 HydrophobicContact CZ-CG1 4.1Å; F397-I401 PolarHBondContact O-N 3.41Å; V398-I401 PolarHBondContact O-N 3.38Å; I401-K403 PolarHBondContact O-N 3.31Å; I401-T404 PolarHBondContact O-N 3.3Å; I401-T404 VanDerWaalsContact O-N 3.14Å; I401-L405 HydrophobicContact CG2-CD1 3.69Å; I401-L405 HydrophobicContact CG2-CG 4.11Å; I401-L405 VanDerWaalsContact O-CG 3.32Å; I401-L405 WeakPolarHBondContact O-CG 3.47Å; I401-L405 PolarHBondContact O-N 3.27Å
402	E	44	Very low	44.3	Very low	57 Å²	57	56.5 Å²	56.5	27%	0.266	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-44.8	-176.5	-168.1	-176	169.9	0	0	112	V398 T404 L405 R406	V398-E402 PolarHBondContact O-N 3.27Å; E402-T404 VanDerWaalsContact C-N 3.33Å; E402-T404 PolarHBondContact O-N 2.85Å; E402-L405 PolarHBondContact O-N 3.48Å; E402-R406 WeakPolarHBondContact O-CG 3.28Å; E402-R406 PolarHBondContact O-N 3.37Å; E402-R406 IonicContact OE1-CZ 2.69Å; E402-R406 IonicContact OE1-NE 3.13Å; E402-R406 PolarHBondContact OE1-NE 2.94Å; E402-R406 IonicContact OE1-NH2 3.49Å; E402-R406 PolarHBondContact OE1-NH2 3.41Å
403	K	49.1	Very low	43.9	Very low	144 Å²	144	55.8 Å²	55.8	63%	0.626	29%	0.292	S	S	*	.	H	α-helix	trans	-61.9	-40.6	175.2	-75.1	175.5	-178.4	-178.7	0	112.3	G399 I401 R406 K407	G399-K403 WeakPolarHBondContact O-CB 3.45Å; G399-K403 VanDerWaalsContact O-CG 3.28Å; G399-K403 WeakPolarHBondContact O-CG 3.44Å; G399-K403 PolarHBondContact O-N 3.31Å; I401-K403 PolarHBondContact O-N 3.31Å; K403-R406 PolarHBondContact O-N 3.42Å; K403-K407 WeakPolarHBondContact O-CG 3.45Å; K403-K407 PolarHBondContact O-N 2.99Å; K403-K407 VanDerWaalsContact O-N 3.09Å
404	T	43.6	Very low	43.8	Very low	8 Å²	8	61.8 Å²	61.8	5%	0.049	32%	0.322	C	S	.	.	H	α-helix	trans	-67	-41.5	179.4	-53.6	0	0	0	0	110.9	T400 I401 E402 K407 M408	T400-T404 WeakPolarHBondContact O-CB 3.34Å; T400-T404 PolarHBondContact O-N 2.96Å; T400-T404 PolarHBondContact O-OG1 3.18Å; I401-T404 PolarHBondContact O-N 3.3Å; I401-T404 VanDerWaalsContact O-N 3.14Å; E402-T404 VanDerWaalsContact C-N 3.33Å; E402-T404 PolarHBondContact O-N 2.85Å; T404-K407 PolarHBondContact O-N 3.39Å; T404-M408 WeakPolarHBondContact O-CG 3.43Å; T404-M408 PolarHBondContact O-N 2.7Å
405	L	42.3	Very low	43.3	Very low	30 Å²	30	64.5 Å²	64.5	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-65.3	-42.1	175.9	-68	176.6	0	0	0	112.2	F144 I279 I401 E402 K407 M408 D409	F144-L405 HydrophobicContact CE1-CD1 4.43Å; F144-L405 HydrophobicContact CE1-CD2 4.01Å; F144-L405 HydrophobicContact CZ-CD2 3.74Å; I279-L405 HydrophobicContact CD1-CD2 4.38Å; I401-L405 HydrophobicContact CG2-CD1 3.69Å; I401-L405 HydrophobicContact CG2-CG 4.11Å; I401-L405 VanDerWaalsContact O-CG 3.32Å; I401-L405 WeakPolarHBondContact O-CG 3.47Å; I401-L405 PolarHBondContact O-N 3.27Å; E402-L405 PolarHBondContact O-N 3.48Å; L405-K407 PolarHBondContact O-N 3.09Å; L405-M408 PolarHBondContact O-N 3.02Å; L405-D409 PolarHBondContact O-N 2.95Å
406	R	46.8	Very low	42.7	Very low	132 Å²	132	62.7 Å²	62.7	50%	0.498	34%	0.335	S	S	.	.	H	α-helix	trans	-60.8	-43.5	175.4	-74.3	-174.9	-168.4	-170.6	4.8	112.2	E402 K403 M408 D409 E410	E402-R406 WeakPolarHBondContact O-CG 3.28Å; E402-R406 PolarHBondContact O-N 3.37Å; E402-R406 IonicContact OE1-CZ 2.69Å; E402-R406 IonicContact OE1-NE 3.13Å; E402-R406 PolarHBondContact OE1-NE 2.94Å; E402-R406 IonicContact OE1-NH2 3.49Å; E402-R406 PolarHBondContact OE1-NH2 3.41Å; K403-R406 PolarHBondContact O-N 3.42Å; R406-M408 VanDerWaalsContact C-N 3.3Å; R406-M408 PolarHBondContact O-N 3.24Å; R406-D409 PolarHBondContact O-N 3.05Å; R406-E410 WeakPolarHBondContact O-CB 3.32Å; R406-E410 WeakPolarHBondContact O-CG 3.36Å; R406-E410 PolarHBondContact O-N 3.45Å
407	K	47.9	Very low	42.4	Very low	121 Å²	121	64.5 Å²	64.5	53%	0.526	35%	0.346	S	S	.	.	H	α-helix	trans	-62.9	-36.3	175.6	-75	-175.1	175	-170.4	0	112.7	K403 T404 L405 F411	K403-K407 WeakPolarHBondContact O-CG 3.45Å; K403-K407 PolarHBondContact O-N 2.99Å; K403-K407 VanDerWaalsContact O-N 3.09Å; T404-K407 PolarHBondContact O-N 3.39Å; L405-K407 PolarHBondContact O-N 3.09Å; K407-F411 WeakPolarHBondContact O-CB 3.42Å; K407-F411 PolarHBondContact O-N 3.41Å
408	M	41.5	Very low	42	Very low	34 Å²	34	74 Å²	74	17%	0.167	39%	0.387	C	S	.	.	H	α-helix	trans	-67.8	-42.3	173.8	-75.5	-178	159.2	0	0	112.1	I279 H283 T404 L405 R406 F411 V412	I279-M408 HydrophobicContact CG2-CE 3.72Å; I279-M408 HydrophobicContact CG2-SD 4.01Å; H283-M408 HydrophobicContact CB-CE 3.73Å; T404-M408 WeakPolarHBondContact O-CG 3.43Å; T404-M408 PolarHBondContact O-N 2.7Å; L405-M408 PolarHBondContact O-N 3.02Å; R406-M408 VanDerWaalsContact C-N 3.3Å; R406-M408 PolarHBondContact O-N 3.24Å; M408-F411 PolarHBondContact O-N 2.9Å; M408-V412 WeakPolarHBondContact O-CG2 3.22Å; M408-V412 PolarHBondContact O-N 3.48Å
409	D	43.3	Very low	41.5	Very low	66 Å²	66	75 Å²	75	35%	0.353	40%	0.395	S	S	.	.	H	α-helix	trans	-64.5	-39.9	174.6	-92.6	-31.3	0	0	0	111.8	R140 L405 R406 V412 S413	R140-D409 IonicContact CZ-OD1 3.46Å; R140-D409 IonicContact NH1-OD1 3.83Å; R140-D409 IonicContact NH2-OD1 3.85Å; R140-D409 PolarHBondContact NH2-OD1 2.93Å; R140-D409 VanDerWaalsContact NH2-OD1 3.13Å; L405-D409 PolarHBondContact O-N 2.95Å; R406-D409 PolarHBondContact O-N 3.05Å; D409-V412 PolarHBondContact O-N 3.35Å; D409-S413 VanDerWaalsContact O-CB 3.32Å; D409-S413 WeakPolarHBondContact O-CB 3.28Å; D409-S413 PolarHBondContact O-N 3.31Å; D409-S413 PolarHBondContact O-OG 2.82Å
410	E	46.7	Very low	41.2	Very low	116 Å²	116	78.7 Å²	78.7	54%	0.542	42%	0.417	S	S	.	.	H	α-helix	trans	-60.8	-45.3	173.4	-76.3	168.2	-169.8	0	0	111.3	R406 S413 L414	R406-E410 WeakPolarHBondContact O-CB 3.32Å; R406-E410 WeakPolarHBondContact O-CG 3.36Å; R406-E410 PolarHBondContact O-N 3.45Å; E410-S413 PolarHBondContact O-N 3.13Å; E410-L414 WeakPolarHBondContact O-CB 3.41Å; E410-L414 WeakPolarHBondContact O-CG 3.46Å; E410-L414 PolarHBondContact O-N 3.3Å
411	F	40.5	Very low	40.6	Very low	60 Å²	60	80.7 Å²	80.7	26%	0.263	43%	0.429	S	S	.	.	H	α-helix	trans	-61.1	-46.4	176.5	-179.1	-97.6	0	0	0	112.3	L290 K407 M408 S413 L414 A415	L290-F411 HydrophobicContact CD1-CZ 3.94Å; K407-F411 WeakPolarHBondContact O-CB 3.42Å; K407-F411 PolarHBondContact O-N 3.41Å; M408-F411 PolarHBondContact O-N 2.9Å; F411-S413 VanDerWaalsContact C-N 3.3Å; F411-S413 PolarHBondContact O-N 2.69Å; F411-L414 PolarHBondContact O-N 3.49Å; F411-A415 WeakPolarHBondContact O-CB 3.47Å; F411-A415 PolarHBondContact O-N 3.34Å
412	V	36.8	Very low	40	Very low	35 Å²	35	82 Å²	82	21%	0.212	44%	0.436	C	S	.	.	H	α-helix	trans	-63.8	-37.7	177.2	172	0	0	0	0	111.4	M408 D409 C416	M408-V412 WeakPolarHBondContact O-CG2 3.22Å; M408-V412 PolarHBondContact O-N 3.48Å; D409-V412 PolarHBondContact O-N 3.35Å; V412-C416 PolarHBondContact O-N 3.19Å
413	S	40.1	Very low	39.6	Very low	77 Å²	77	85 Å²	85	54%	0.538	45%	0.454	S	S	.	.	H	α-helix	trans	-69.5	-34.2	178.6	-56.5	0	0	0	0	112.5	D409 E410 F411	D409-S413 VanDerWaalsContact O-CB 3.32Å; D409-S413 WeakPolarHBondContact O-CB 3.28Å; D409-S413 PolarHBondContact O-N 3.31Å; D409-S413 PolarHBondContact O-OG 2.82Å; E410-S413 PolarHBondContact O-N 3.13Å; F411-S413 VanDerWaalsContact C-N 3.3Å; F411-S413 PolarHBondContact O-N 2.69Å
414	L	41.3	Very low	38.8	Very low	143 Å²	143	84.1 Å²	84.1	75%	0.749	45%	0.451	S	S	*	.	H	α-helix	trans	-75.1	-36.7	175.5	-75.7	162.3	0	0	0	112.6	E410 F411	E410-L414 WeakPolarHBondContact O-CB 3.41Å; E410-L414 WeakPolarHBondContact O-CG 3.46Å; E410-L414 PolarHBondContact O-N 3.3Å; F411-L414 PolarHBondContact O-N 3.49Å
415	A	33.1	Very low	38.3	Very low	64 Å²	64	85.4 Å²	85.4	53%	0.529	46%	0.459	S	S	.	.	H	α-helix	trans	-79.3	-18.9	-177.8	0	0	0	0	0	114	F411	F411-A415 WeakPolarHBondContact O-CB 3.47Å; F411-A415 PolarHBondContact O-N 3.34Å
416	C	31.8	Very low	37.9	Very low	58 Å²	58	90.4 Å²	90.4	39%	0.392	48%	0.48	S	S	.	.			trans	-138.4	69.1	-179.2	-88.6	0	0	0	0	112.3	V412 K418	V412-C416 PolarHBondContact O-N 3.19Å; C416-K418 VanDerWaalsContact C-N 3.26Å; C416-K418 PolarHBondContact O-N 2.8Å
417	P	38.7	Very low	37.3	Very low	110 Å²	110	87.7 Å²	87.7	71%	0.714	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.1	-175.3	26.5	-32.1	0	0	0	114.2
418	K	36.7	Very low	36.4	Very low	204 Å²	204	90.4 Å²	90.4	89%	0.887	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.4	42.6	-172.1	-65.8	-172.4	179.2	178.1	0	116.1	C416	C416-K418 VanDerWaalsContact C-N 3.26Å; C416-K418 PolarHBondContact O-N 2.8Å
419	S	34.6	Very low	35.8	Very low	42 Å²	42	90.9 Å²	90.9	29%	0.294	50%	0.497	S	S	.	.			trans	-99.1	124.1	172.3	76.2	0	0	0	0	112.4	V421 L422	S419-V421 PolarHBondContact O-N 3.29Å; S419-L422 PolarHBondContact O-N 2.96Å
420	S	36.3	Very low	35	Very low	99 Å²	99	97.6 Å²	97.6	69%	0.692	52%	0.518	S	S	*	.	H	α-helix	trans	-50.7	-23.4	167.4	49.9	0	0	0	0	112.8	L422 N423 H424	S420-L422 VanDerWaalsContact C-N 3.32Å; S420-L422 PolarHBondContact O-N 3.45Å; S420-N423 PolarHBondContact O-N 3.39Å; S420-H424 PolarHBondContact O-N 3.47Å; S420-H424 VanDerWaalsContact O-N 3.1Å
421	V	33.7	Very low	34	Very low	68 Å²	68	95.3 Å²	95.3	41%	0.412	52%	0.518	S	S	.	.	H	α-helix	trans	-57.7	-38.3	173.4	-174.5	0	0	0	0	112.3	V137 S419 N423 H424 V425	V137-V421 HydrophobicContact CG2-CG1 4.35Å; S419-V421 PolarHBondContact O-N 3.29Å; V421-N423 VanDerWaalsContact C-N 3.33Å; V421-N423 PolarHBondContact O-N 3.45Å; V421-H424 PolarHBondContact O-N 3Å; V421-V425 HydrophobicContact CG1-CG2 4.27Å; V421-V425 WeakPolarHBondContact O-CB 3.43Å; V421-V425 WeakPolarHBondContact O-CG2 3.46Å; V421-V425 PolarHBondContact O-N 3.46Å
422	L	32.3	Very low	33.3	Very low	55 Å²	55	102.2 Å²	102.2	29%	0.288	54%	0.543	S	S	.	.	H	α-helix	trans	-69.8	-30.7	-178.3	-127.4	150.2	0	0	0	112.4	S419 S420 K426	S419-L422 PolarHBondContact O-N 2.96Å; S420-L422 VanDerWaalsContact C-N 3.32Å; S420-L422 PolarHBondContact O-N 3.45Å; L422-K426 WeakPolarHBondContact O-CG 3.39Å; L422-K426 PolarHBondContact O-N 3.13Å
423	N	34.6	Very low	32.8	Very low	119 Å²	119	103.8 Å²	103.8	64%	0.636	56%	0.555	S	S	*	*	H	α-helix	trans	-79.7	-35.9	174.1	-77	-22.5	0	0	0	112.3	S420 V421 K426 S427	S420-N423 PolarHBondContact O-N 3.39Å; V421-N423 VanDerWaalsContact C-N 3.33Å; V421-N423 PolarHBondContact O-N 3.45Å; N423-K426 PolarHBondContact O-N 2.82Å; N423-S427 PolarHBondContact O-N 2.69Å
424	H	32.8	Very low	32.2	Very low	125 Å²	125	105 Å²	105	58%	0.579	56%	0.564	S	S	*	*	H	α-helix	trans	-69	-33.6	176.7	-142.6	68.4	0	0	0	112.5	S420 V421 S427 R428	S420-H424 PolarHBondContact O-N 3.47Å; S420-H424 VanDerWaalsContact O-N 3.1Å; V421-H424 PolarHBondContact O-N 3Å; H424-S427 PolarHBondContact O-OG 3.38Å; H424-R428 PolarHBondContact O-N 2.94Å
425	V	31.9	Very low	31.9	Very low	36 Å²	36	100.5 Å²	100.5	22%	0.218	55%	0.552	C	S	.	*	H	α-helix	trans	-76	-34.9	175.6	174.1	0	0	0	0	111.8	V137 V421 S427 R428 A429	V137-V425 HydrophobicContact CG1-CG2 4.28Å; V421-V425 HydrophobicContact CG1-CG2 4.27Å; V421-V425 WeakPolarHBondContact O-CB 3.43Å; V421-V425 WeakPolarHBondContact O-CG2 3.46Å; V421-V425 PolarHBondContact O-N 3.46Å; V425-S427 VanDerWaalsContact C-N 3.3Å; V425-S427 PolarHBondContact O-N 3.33Å; V425-R428 PolarHBondContact O-N 3.42Å; V425-A429 VanDerWaalsContact O-CB 3.28Å; V425-A429 WeakPolarHBondContact O-CB 3.32Å; V425-A429 PolarHBondContact O-N 2.97Å
426	K	34.3	Very low	31.9	Very low	134 Å²	134	102.8 Å²	102.8	58%	0.583	56%	0.561	S	S	*	*	H	α-helix	trans	-62	-34.5	174.2	-84.8	177.7	-179	174.5	0	113	L422 N423	L422-K426 WeakPolarHBondContact O-CG 3.39Å; L422-K426 PolarHBondContact O-N 3.13Å; N423-K426 PolarHBondContact O-N 2.82Å
427	S	33.6	Very low	31.8	Very low	75 Å²	75	104 Å²	104	52%	0.524	57%	0.568	S	S	.	*	H	α-helix	trans	-74.7	-39.6	179.2	68.1	0	0	0	0	112.5	N423 H424 V425	N423-S427 PolarHBondContact O-N 2.69Å; H424-S427 PolarHBondContact O-OG 3.38Å; V425-S427 VanDerWaalsContact C-N 3.3Å; V425-S427 PolarHBondContact O-N 3.33Å
428	R	29.9	Very low	31.7	Very low	179 Å²	179	99.8 Å²	99.8	68%	0.675	54%	0.542	S	S	*	.	H	α-helix	trans	-76.5	-30.7	176.9	-75.5	-171.4	174.1	-176.2	-0.1	114.2	H424 V425 R430 A431	H424-R428 PolarHBondContact O-N 2.94Å; V425-R428 PolarHBondContact O-N 3.42Å; R428-R430 VanDerWaalsContact C-N 3.26Å; R428-R430 PolarHBondContact O-N 2.91Å; R428-A431 WeakPolarHBondContact O-CB 3.36Å; R428-A431 PolarHBondContact O-N 2.99Å; R428-A431 VanDerWaalsContact O-N 3.09Å
429	A	28.6	Very low	31.6	Very low	43 Å²	43	92.8 Å²	92.8	36%	0.355	51%	0.51	S	S	.	.	H	α-helix	trans	-63.8	-26.3	177.5	0	0	0	0	0	113.9	V425 A431 W432	V425-A429 VanDerWaalsContact O-CB 3.28Å; V425-A429 WeakPolarHBondContact O-CB 3.32Å; V425-A429 PolarHBondContact O-N 2.97Å; A429-A431 VanDerWaalsContact C-N 3.33Å; A429-W432 PolarHBondContact O-N 3.23Å
430	R	25.8	Very low	31.4	Very low	208 Å²	208	92.7 Å²	92.7	79%	0.785	51%	0.505	S	S	*	.	H	α-helix	trans	-65.7	-35.3	172.8	-85.3	-176.1	-172.6	161.8	3.3	112.3	R428 W432 S433	R428-R430 VanDerWaalsContact C-N 3.26Å; R428-R430 PolarHBondContact O-N 2.91Å; R430-W432 PolarHBondContact O-N 2.77Å; R430-S433 PolarHBondContact O-N 3.43Å; R430-S433 PolarHBondContact O-OG 2.97Å
431	A	26.6	Very low	31.1	Very low	67 Å²	67	90.2 Å²	90.2	55%	0.554	49%	0.488	S	S	*	.	H	α-helix	trans	-67.8	-21.1	-178.5	0	0	0	0	0	113.6	R428 A429 S434	R428-A431 WeakPolarHBondContact O-CB 3.36Å; R428-A431 PolarHBondContact O-N 2.99Å; R428-A431 VanDerWaalsContact O-N 3.09Å; A429-A431 VanDerWaalsContact C-N 3.33Å; A431-S434 PolarHBondContact O-OG 3.02Å; A431-S434 VanDerWaalsContact O-OG 3.11Å
432	W	25.8	Very low	31	Very low	206 Å²	206	93.3 Å²	93.3	78%	0.78	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.3	-178.3	-72.8	33.5	0	0	0	113.3	A429 R430 S434	A429-W432 PolarHBondContact O-N 3.23Å; R430-W432 PolarHBondContact O-N 2.77Å; W432-S434 VanDerWaalsContact C-N 3.31Å
433	S	26.6	Very low	30.9	Very low	67 Å²	67	94.9 Å²	94.9	47%	0.469	50%	0.501	S	S	.	.	S	Bend	trans	-82.4	-4.9	179	70	0	0	0	0	114.3	R430 G435	R430-S433 PolarHBondContact O-N 3.43Å; R430-S433 PolarHBondContact O-OG 2.97Å; S433-G435 PolarHBondContact O-N 3.35Å
434	S	28.3	Very low	30.6	Very low	103 Å²	103	95.1 Å²	95.1	72%	0.72	50%	0.496	S	S	*	.			trans	-83.8	20.1	179.1	52.6	0	0	0	0	114.2	A431 W432	A431-S434 PolarHBondContact O-OG 3.02Å; A431-S434 VanDerWaalsContact O-OG 3.11Å; W432-S434 VanDerWaalsContact C-N 3.31Å
435	G	34.6	Very low	30.4	Very low	49 Å²	49	92.4 Å²	92.4	51%	0.505	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-65.6	156.3	173.8	0	0	0	0	0	113.1	S433	S433-G435 PolarHBondContact O-N 3.35Å
436	P	31.5	Very low	30.2	Very low	111 Å²	111	96.9 Å²	96.9	72%	0.721	52%	0.523	S	S	*	.	S	Bend	trans	-58.5	154.1	-172.9	23.9	-32.9	0	0	0	111.9	S438	P436-S438 PolarHBondContact O-N 2.98Å
437	P	31.1	Very low	29.9	Very low	84 Å²	84	94.6 Å²	94.6	55%	0.545	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-57.6	142.2	-166.3	24.4	-34.3	0	0	0	111.7
438	S	36.1	Very low	29.5	Very low	22 Å²	22	94.2 Å²	94.2	15%	0.154	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-51.3	151.4	-176.6	50.3	0	0	0	0	111.7	P436 I440 S441 R442	P436-S438 PolarHBondContact O-N 2.98Å; S438-I440 PolarHBondContact O-N 3.21Å; S438-S441 WeakPolarHBondContact O-CA 3.48Å; S438-S441 WeakPolarHBondContact O-CB 3.32Å; S438-S441 PolarHBondContact O-N 3.42Å; S438-S441 PolarHBondContact O-OG 3.48Å; S438-S441 PolarHBondContact OG-OG 3.23Å; S438-R442 PolarHBondContact O-N 2.86Å
439	W	33.7	Very low	29.2	Very low	56 Å²	56	93.9 Å²	93.9	21%	0.212	54%	0.54	C	S	.	.	H	α-helix	trans	-50.6	-24.6	174.1	66.1	-83.9	0	0	0	114.1	I158 S441 R442 L443	I158-W439 HydrophobicContact CD1-CH2 3.25Å; I158-W439 HydrophobicContact CD1-CZ2 4.24Å; I158-W439 HydrophobicContact CD1-CZ3 3.65Å; I158-W439 HydrophobicContact CG1-CH2 3.83Å; I158-W439 HydrophobicContact CG1-CZ3 4.2Å; W439-S441 VanDerWaalsContact C-N 3.31Å; W439-S441 PolarHBondContact O-N 3.2Å; W439-R442 CarbonylContact O-C 3.6Å; W439-R442 WeakPolarHBondContact O-CA 3.26Å; W439-R442 WeakPolarHBondContact O-CB 3.36Å; W439-R442 PolarHBondContact O-N 3.13Å; W439-L443 HydrophobicContact CE3-CD1 3.71Å; W439-L443 HydrophobicContact CZ3-CD1 3.43Å; W439-L443 VanDerWaalsContact CZ3-CD1 3.43Å; W439-L443 PolarHBondContact O-N 3.17Å
440	I	31.7	Very low	29.3	Very low	40 Å²	40	96 Å²	96	21%	0.205	55%	0.549	C	S	.	.	H	α-helix	trans	-54.2	-46.3	167.2	-73.2	169.1	0	0	0	111.2	S438 R442 L443 F444	S438-I440 PolarHBondContact O-N 3.21Å; I440-R442 PolarHBondContact O-N 2.69Å; I440-L443 WeakPolarHBondContact O-CB 3.37Å; I440-L443 PolarHBondContact O-N 3.05Å; I440-L443 VanDerWaalsContact O-N 3.13Å; I440-F444 HydrophobicContact CG2-CD2 3.83Å; I440-F444 HydrophobicContact CG2-CE2 3.87Å; I440-F444 WeakPolarHBondContact O-CD2 3.35Å; I440-F444 PolarHBondContact O-N 2.92Å
441	S	30	Very low	29.4	Very low	48 Å²	48	89.2 Å²	89.2	34%	0.336	54%	0.543	S	S	.	.	H	α-helix	trans	-64.5	-27.1	174.9	-44.7	0	0	0	0	112.3	S438 W439 A445	S438-S441 WeakPolarHBondContact O-CA 3.48Å; S438-S441 WeakPolarHBondContact O-CB 3.32Å; S438-S441 PolarHBondContact O-N 3.42Å; S438-S441 PolarHBondContact O-OG 3.48Å; S438-S441 PolarHBondContact OG-OG 3.23Å; W439-S441 VanDerWaalsContact C-N 3.31Å; W439-S441 PolarHBondContact O-N 3.2Å; S441-A445 WeakPolarHBondContact O-CB 3.32Å; S441-A445 PolarHBondContact O-N 2.97Å
442	R	32.4	Very low	29.6	Very low	133 Å²	133	92.7 Å²	92.7	50%	0.502	55%	0.552	S	S	.	*	H	α-helix	trans	-76.3	-35	172.2	-56.1	-176.8	-147	-172.4	3.4	111.8	G116 S438 W439 I440 F444 A445 V446	G116-R442 PolarHBondContact O-NH1 3.32Å; S438-R442 PolarHBondContact O-N 2.86Å; W439-R442 CarbonylContact O-C 3.6Å; W439-R442 WeakPolarHBondContact O-CA 3.26Å; W439-R442 WeakPolarHBondContact O-CB 3.36Å; W439-R442 PolarHBondContact O-N 3.13Å; I440-R442 PolarHBondContact O-N 2.69Å; R442-F444 VanDerWaalsContact C-N 3.31Å; R442-A445 PolarHBondContact O-N 3.34Å; R442-V446 WeakPolarHBondContact O-CG2 3.33Å; R442-V446 PolarHBondContact O-N 3.41Å
443	L	29	Very low	29.8	Very low	88 Å²	88	89.5 Å²	89.5	46%	0.461	55%	0.546	S	S	.	.	H	α-helix	trans	-67.7	-34	177	-132.7	141.6	0	0	0	111.8	W439 I440	W439-L443 HydrophobicContact CE3-CD1 3.71Å; W439-L443 HydrophobicContact CZ3-CD1 3.43Å; W439-L443 VanDerWaalsContact CZ3-CD1 3.43Å; W439-L443 PolarHBondContact O-N 3.17Å; I440-L443 WeakPolarHBondContact O-CB 3.37Å; I440-L443 PolarHBondContact O-N 3.05Å; I440-L443 VanDerWaalsContact O-N 3.13Å
444	F	28.7	Very low	30	Very low	123 Å²	123	94.3 Å²	94.3	54%	0.539	56%	0.561	S	S	.	*	H	α-helix	trans	-91.4	-14.4	173.2	-68.2	-68.8	0	0	0	114.6	I440 R442 V446 T447	I440-F444 HydrophobicContact CG2-CD2 3.83Å; I440-F444 HydrophobicContact CG2-CE2 3.87Å; I440-F444 WeakPolarHBondContact O-CD2 3.35Å; I440-F444 PolarHBondContact O-N 2.92Å; R442-F444 VanDerWaalsContact C-N 3.31Å; F444-V446 VanDerWaalsContact C-N 3.35Å; F444-T447 PolarHBondContact O-N 3Å; F444-T447 PolarHBondContact O-OG1 3.42Å
445	A	27.7	Very low	30.1	Very low	68 Å²	68	96.5 Å²	96.5	56%	0.562	56%	0.56	S	S	*	*	H	α-helix	trans	-77.8	-21.1	171.5	0	0	0	0	0	112.8	S441 R442 T447	S441-A445 WeakPolarHBondContact O-CB 3.32Å; S441-A445 PolarHBondContact O-N 2.97Å; R442-A445 PolarHBondContact O-N 3.34Å; A445-T447 PolarHBondContact O-N 3.1Å
446	V	28.7	Very low	29.9	Very low	131 Å²	131	98.9 Å²	98.9	79%	0.794	57%	0.568	S	S	*	*	S	Bend	trans	-71.4	-19.1	171.9	176.6	0	0	0	0	111.1	R442 F444	R442-V446 WeakPolarHBondContact O-CG2 3.33Å; R442-V446 PolarHBondContact O-N 3.41Å; F444-V446 VanDerWaalsContact C-N 3.35Å
447	T	27.7	Very low	29.8	Very low	85 Å²	85	99.4 Å²	99.4	52%	0.521	57%	0.569	S	S	.	*	S	Bend	trans	-92.6	111.6	166.9	51.7	0	0	0	0	108.6	F444 A445	F444-T447 PolarHBondContact O-N 3Å; F444-T447 PolarHBondContact O-OG1 3.42Å; A445-T447 PolarHBondContact O-N 3.1Å
448	G	24.3	Very low	29.5	Very low	68 Å²	68	106 Å²	106	70%	0.701	58%	0.583	S	S	*	*	S	Bend	trans	-27.5	138.1	-170.2	0	0	0	0	0	119.7
449	N	25.1	Very low	29.1	Very low	172 Å²	172	112.6 Å²	112.6	92%	0.92	61%	0.611	S	S	*	*			trans	28.6	88.6	161.6	-90	-1.3	0	0	0	118.3	G451	N449-G451 PolarHBondContact O-N 3.3Å
450	T	31	Very low	28.8	Very low	88 Å²	88	120.1 Å²	120.1	54%	0.54	65%	0.645	S	S	.	*			trans	-97.6	51.3	166.3	60	0	0	0	0	112.8	N452	T450-N452 PolarHBondContact O-N 3.12Å
451	G	26.1	Very low	28.5	Very low	64 Å²	64	123.5 Å²	123.5	66%	0.66	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-15.2	175.3	0	0	0	0	0	114.6	N449	N449-G451 PolarHBondContact O-N 3.3Å
452	N	31.3	Very low	28.3	Very low	140 Å²	140	126.4 Å²	126.4	75%	0.749	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-0.9	-174.6	-68.5	-14.1	0	0	0	114.6	T450	T450-N452 PolarHBondContact O-N 3.12Å
453	H	30.7	Very low	28	Very low	139 Å²	139	125.9 Å²	125.9	64%	0.644	71%	0.709	S	S	*	*	H	α-helix	trans	-86	-27.2	-174.1	-125.7	-29.6	0	0	0	114.2
454	E	29.8	Very low	28	Very low	168 Å²	168	126.8 Å²	126.8	79%	0.785	72%	0.722	S	S	*	*	H	α-helix	trans	-77	-25.1	179.2	-77.1	-171.3	148.2	0	0	113.6	T457	E454-T457 PolarHBondContact O-OG1 3.12Å
455	Q	30.7	Very low	27.8	Very low	149 Å²	149	133.1 Å²	133.1	70%	0.696	74%	0.743	S	S	*	*	H	α-helix	trans	-73.4	-27.8	175.9	-84	-179	-14.4	0	0	113.1	T457	Q455-T457 PolarHBondContact O-N 3.08Å
456	C	29.8	Very low	27.8	Very low	100 Å²	100	139.5 Å²	139.5	68%	0.676	76%	0.758	S	S	*	*	H	α-helix	trans	-75.4	-25.2	-176.7	-157.4	0	0	0	0	113.2
457	T	30	Very low	27.7	Very low	121 Å²	121	138.3 Å²	138.3	74%	0.742	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-11	178.3	39.5	0	0	0	0	114.8	E454 Q455	E454-T457 PolarHBondContact O-OG1 3.12Å; Q455-T457 PolarHBondContact O-N 3.08Å
458	R	25.8	Very low	27.7	Very low	224 Å²	224	144.1 Å²	144.1	85%	0.845	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-8.9	-175.3	-74.9	-171.7	176.2	-175.4	1.5	115.3
459	Q	27.7	Very low	27.8	Very low	160 Å²	160	144.9 Å²	144.9	75%	0.748	77%	0.773	S	S	*	*			trans	-96.1	101.7	173.6	-78.4	-175.2	-15.5	0	0	111.4	C461	Q459-C461 PolarHBondContact O-N 3.46Å
460	K	26	Very low	27.8	Very low	213 Å²	213	145.5 Å²	145.5	93%	0.926	77%	0.77	S	S	*	*			trans	-49.8	114.3	156.5	-74.2	175.5	174.3	176.7	0	108.6
461	C	27	Very low	27.6	Very low	112 Å²	112	150.3 Å²	150.3	76%	0.757	79%	0.786	S	S	*	*			trans	-127.1	116.3	161.7	-70.3	0	0	0	0	110.3	Q459	Q459-C461 PolarHBondContact O-N 3.46Å
462	S	25.5	Very low	27.5	Very low	109 Å²	109	155.8 Å²	155.8	76%	0.762	80%	0.795	S	S	*	*			trans	-52.7	153.8	176.5	45.5	0	0	0	0	114.5	S464	S462-S464 PolarHBondContact O-N 2.83Å
463	S	25.7	Very low	27.3	Very low	122 Å²	122	158.8 Å²	158.8	85%	0.853	80%	0.801	S	S	*	*			trans	-82.9	103.5	173.4	55.2	0	0	0	0	111.7
464	S	28	Very low	26.9	Very low	107 Å²	107	158.2 Å²	158.2	75%	0.748	81%	0.807	S	S	*	*			trans	-170.4	101.9	157.7	38.4	0	0	0	0	112	S462	S462-S464 PolarHBondContact O-N 2.83Å
465	R	25.3	Very low	26.6	Very low	256 Å²	256	156.1 Å²	156.1	97%	0.966	81%	0.806	S	S	*	*			trans	-100.1	104.5	143.8	-115.3	-174.4	-179.7	-172.2	0.7	105.7
466	K	27.3	Very low	26.5	Very low	202 Å²	202	153.6 Å²	153.6	88%	0.878	81%	0.805	S	S	*	*			trans	-97.1	117.5	148.6	-93.4	-173.6	176.5	-179.3	0	106
467	S	26.6	Very low	26.4	Very low	106 Å²	106	156.7 Å²	156.7	74%	0.741	81%	0.809	S	S	*	*			trans	-42.9	140.5	165.6	49.3	0	0	0	0	112.8
468	K	28.7	Very low	26.1	Very low	207 Å²	207	159.2 Å²	159.2	90%	0.9	81%	0.813	S	S	*	*				-162.5	132.7	127.1	-105.7	176.1	-176.8	-167.5	0	109.9
469	A	25.9	Very low	26.2	Very low	84 Å²	84	154.5 Å²	154.5	69%	0.694	81%	0.809	S	S	*	*			trans	-66.9	162.4	165.2	0	0	0	0	0	110.3
470	E	24.8	Very low	26.2	Very low	184 Å²	184	156.7 Å²	156.7	86%	0.86	81%	0.81	S	S	*	*			trans	56.7	104.7	165	-81.7	172.1	140.8	0	0	117.1
471	E	27.7	Very low	26.4	Very low	189 Å²	189	152.7 Å²	152.7	88%	0.883	80%	0.799	S	S	*	*				179.4	148.4	106.4	-98.9	178.8	169.4	0	0	111.5
472	Q	23.3	Very low	26.3	Very low	179 Å²	179	154.9 Å²	154.9	84%	0.836	80%	0.801	S	S	*	*			trans	-47.5	138.2	172	-66.3	158.9	-32.4	0	0	113.8
473	K	26.6	Very low	26.6	Very low	203 Å²	203	154.7 Å²	154.7	88%	0.883	80%	0.798	S	S	*	*				176.2	123.8	108.2	-105.6	178.3	175.6	175.3	0	113.3
474	V	23	Very low	26.7	Very low	127 Å²	127	153.8 Å²	153.8	77%	0.77	79%	0.792	S	S	*	*			trans	-33.3	129.7	154.3	167.7	0	0	0	0	115.7
475	T	24.5	Very low	26.6	Very low	124 Å²	124	156.8 Å²	156.8	76%	0.761	79%	0.794	S	S	*	*			trans	46.4	149.2	148.5	59.8	0	0	0	0	120.3
476	S	27.6	Very low	26.8	Very low	97 Å²	97	152 Å²	152	68%	0.678	79%	0.787	S	S	*	*				-178.3	172	55.1	43.4	0	0	0	0	113.1
477	Q	26.9	Very low	26.7	Very low	164 Å²	164	146.2 Å²	146.2	77%	0.766	78%	0.777	S	S	*	*			trans	87.4	104	162.2	-71.6	173.4	-29.5	0	0	116.8
478	E	24.7	Very low	26.8	Very low	175 Å²	175	149.7 Å²	149.7	82%	0.818	78%	0.784	S	S	*	*				60.6	111.4	88.3	-80.1	-172	141.6	0	0	110.9
479	V	27.8	Very low	26.8	Very low	125 Å²	125	150.1 Å²	150.1	76%	0.758	79%	0.786	S	S	*	*				171.6	141.1	103.3	154.6	0	0	0	0	103.8
480	R	27.7	Very low	26.7	Very low	206 Å²	206	150.7 Å²	150.7	78%	0.777	79%	0.785	S	S	*	*			cis	-176.9	167.3	-5.3	-105.2	-176.1	-177.9	169.7	-4.3	104.5
481	N	29.3	Very low	26.7	Very low	129 Å²	129	149.8 Å²	149.8	69%	0.69	78%	0.781	S	S	*	*			trans	81.7	90.9	154.6	-57	-21.8	0	0	0	116.4
482	I	26.8	Very low	26.6	Very low	157 Å²	157	147.9 Å²	147.9	81%	0.805	78%	0.782	S	S	*	*				86.7	141.9	71.8	-72.4	171.8	0	0	0	112.4
483	P	31.2	Very low	26.6	Very low	105 Å²	105	142.8 Å²	142.8	68%	0.682	77%	0.766	S	S	*	*			trans	-130.9	-149.6	-136.9	43.4	-24.2	0	0	0	112.9
484	S	27	Very low	26.6	Very low	104 Å²	104	141.8 Å²	141.8	73%	0.727	76%	0.761	S	S	*	*			trans	77.9	149.6	157.2	72.5	0	0	0	0	117.1
485	E	26.8	Very low	26.8	Very low	170 Å²	170	141.5 Å²	141.5	79%	0.794	76%	0.756	S	S	*	*			cis	-143.6	151.1	19.3	-67.2	175.4	140.2	0	0	106.4
486	D	28.2	Very low	27	Very low	155 Å²	155	144 Å²	144	83%	0.829	76%	0.756	S	S	*	*				-147.7	121.4	57.6	-86.2	-43.3	0	0	0	111.6
487	A	25.5	Very low	26.8	Very low	81 Å²	81	145.1 Å²	145.1	67%	0.669	76%	0.764	S	S	*	*			trans	-85.2	136.3	154.7	0	0	0	0	0	108.4
488	M	29.1	Very low	26.7	Very low	179 Å²	179	140.8 Å²	140.8	88%	0.882	76%	0.763	S	S	*	*			trans	-162.1	90.7	137.3	-81	-141.8	-179.9	0	0	108.4
489	F	28.4	Very low	26.6	Very low	216 Å²	216	138.1 Å²	138.1	95%	0.947	76%	0.763	S	S	*	*			trans	174.9	78.5	131.6	-96	-71.2	0	0	0	108.3
490	S	24.3	Very low	26.3	Very low	96 Å²	96	136.6 Å²	136.6	67%	0.671	76%	0.758	S	S	*	*			trans	-113.5	133.3	151.1	49.9	0	0	0	0	104.6
491	Q	23.9	Very low	26.1	Very low	165 Å²	165	133.2 Å²	133.2	77%	0.771	76%	0.755	S	S	*	*				176.8	146.9	83.3	-82.6	176.1	-14.1	0	0	104.3
492	V	26.1	Very low	26	Very low	149 Å²	149	134.9 Å²	134.9	90%	0.903	76%	0.758	S	S	*	*				-141.2	130.8	84.9	177.8	0	0	0	0	111.1
493	S	24.2	Very low	25.9	Very low	72 Å²	72	131.8 Å²	131.8	50%	0.503	76%	0.756	S	S	.	*			trans	-96.9	172.2	178.3	50	0	0	0	0	112.8
494	K	25.8	Very low	25.6	Very low	181 Å²	181	134.9 Å²	134.9	79%	0.787	76%	0.762	S	S	*	*			trans	85.2	135.5	156.3	-65.6	178.2	-177.8	-179.8	0	115.2
495	D	26.6	Very low	25.6	Very low	122 Å²	122	136.9 Å²	136.9	65%	0.652	76%	0.764	S	S	*	*			cis	-173	159.3	25.1	-116.6	-9.5	0	0	0	111.7
496	K	29.2	Very low	25.4	Very low	177 Å²	177	136.3 Å²	136.3	77%	0.77	77%	0.766	S	S	*	*			trans	86.2	100.5	144.5	-72.6	170.8	-172.8	-177	0	123.5
497	S	23.3	Very low	25.3	Very low	120 Å²	120	136.6 Å²	136.6	84%	0.839	77%	0.765	S	S	*	*				58.6	128.9	117.6	68.2	0	0	0	0	123
498	G	25.5	Very low	25.2	Very low	72 Å²	72	141.7 Å²	141.7	74%	0.742	77%	0.774	S	S	*	*			trans	154.1	111.4	148.1	0	0	0	0	0	115.5
499	S	22.4	Very low	25	Very low	119 Å²	119	139 Å²	139	83%	0.832	77%	0.768	S	S	*	*			trans	8	154	154.2	67	0	0	0	0	120.8
500	S	22.2	Very low	24.8	Very low	93 Å²	93	131.6 Å²	131.6	65%	0.65	75%	0.753	S	S	*	*			cis	-178.6	167.5	-1.2	44.5	0	0	0	0	105.6
501	L	23.4	Very low	24.8	Very low	135 Å²	135	138.6 Å²	138.6	71%	0.707	77%	0.765	S	S	*	*			trans	82	122.1	156.4	-74	143.7	0	0	0	120
502	H	26	Very low	24.8	Very low	164 Å²	164	139 Å²	139	76%	0.759	77%	0.766	S	S	*	*			trans	87	109.2	150.8	-64.1	-47.5	0	0	0	120
503	A	25.3	Very low	24.7	Very low	92 Å²	92	141 Å²	141	76%	0.76	76%	0.763	S	S	*	*			trans	56.1	136.8	130.6	0	0	0	0	0	117.8
504	E	25.4	Very low	24.8	Very low	170 Å²	170	144.2 Å²	144.2	79%	0.794	77%	0.771	S	S	*	*			cis	-168.2	141.7	11.7	-131	177.6	162.7	0	0	106.1	D506	E504-D506 PolarHBondContact O-N 2.98Å
505	N	25.3	Very low	24.9	Very low	146 Å²	146	138.2 Å²	138.2	78%	0.781	75%	0.754	S	S	*	*			trans	8.8	93.4	155.1	-64.5	-35.8	0	0	0	119.5	M507	N505-M507 PolarHBondContact O-N 3.44Å; N505-M507 VanDerWaalsContact O-N 3.17Å
506	D	23.9	Very low	25.2	Very low	158 Å²	158	135.2 Å²	135.2	85%	0.845	74%	0.743	S	S	*	*			trans	-79.1	91.6	154.2	-101.1	-23.9	0	0	0	109.5	E504 H508	E504-D506 PolarHBondContact O-N 2.98Å; D506-H508 PolarHBondContact O-N 3.3Å
507	M	26	Very low	25.2	Very low	162 Å²	162	132.2 Å²	132.2	80%	0.798	74%	0.735	S	S	*	*			trans	-66.3	111.2	167	-77.7	-165.4	81.1	0	0	109.9	N505 V509	N505-M507 PolarHBondContact O-N 3.44Å; N505-M507 VanDerWaalsContact O-N 3.17Å; M507-V509 PolarHBondContact O-N 3.02Å
508	H	23.8	Very low	25.7	Very low	187 Å²	187	133.7 Å²	133.7	87%	0.866	73%	0.729	S	S	*	*			trans	-68.1	98.1	165.7	-71.4	-38	0	0	0	110.8	D506 G510	D506-H508 PolarHBondContact O-N 3.3Å; H508-G510 PolarHBondContact O-N 3.18Å
509	V	24.6	Very low	26	Very low	122 Å²	122	138.2 Å²	138.2	74%	0.739	72%	0.724	S	S	*	*			trans	-79.3	96.6	168.5	-177.6	0	0	0	0	108.6	M507	M507-V509 PolarHBondContact O-N 3.02Å
510	G	24.2	Very low	26.4	Very low	62 Å²	62	139.2 Å²	139.2	64%	0.639	71%	0.713	S	S	*	*			trans	-67.9	129.3	166.3	0	0	0	0	0	110.5	H508 Q512	H508-G510 PolarHBondContact O-N 3.18Å; G510-Q512 PolarHBondContact O-N 2.9Å
511	W	23	Very low	26.9	Very low	242 Å²	242	138.4 Å²	138.4	92%	0.917	71%	0.712	S	S	*	*			trans	-68.3	96.9	168.9	-72.1	84.8	0	0	0	109.3	F513	W511-F513 PolarHBondContact O-N 2.95Å
512	Q	24.8	Very low	27.3	Very low	173 Å²	173	137.3 Å²	137.3	81%	0.808	71%	0.706	S	S	*	*			trans	-86.7	98.7	170.3	-144.7	174.5	22	0	0	107.9	G510 Q514	G510-Q512 PolarHBondContact O-N 2.9Å; Q512-Q514 PolarHBondContact O-N 2.77Å
513	F	23.7	Very low	27.6	Very low	192 Å²	192	139 Å²	139	84%	0.842	71%	0.706	S	S	*	*			trans	-61.7	106.2	162.9	-94.8	-91.4	0	0	0	107.6	W511 A515	W511-F513 PolarHBondContact O-N 2.95Å; F513-A515 PolarHBondContact O-N 3.43Å
514	Q	26.3	Very low	28.1	Very low	140 Å²	140	139 Å²	139	65%	0.654	69%	0.693	S	S	*	*			trans	-67.7	82.5	170.8	-89	-177	-11.5	0	0	109.6	Q512 S516	Q512-Q514 PolarHBondContact O-N 2.77Å; Q514-S516 PolarHBondContact O-N 3.31Å
515	A	28.7	Very low	28.6	Very low	54 Å²	54	139 Å²	139	45%	0.446	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.9	19.9	164	0	0	0	0	0	112.4	F513 R519	F513-A515 PolarHBondContact O-N 3.43Å; A515-R519 WeakPolarHBondContact O-CG 3.36Å
516	S	31.4	Very low	29	Very low	60 Å²	60	141 Å²	141	42%	0.42	69%	0.691	S	S	.	*	H	α-helix	trans	-79.5	-32.8	178.4	45.9	0	0	0	0	112.4	Q514 R519 K520	Q514-S516 PolarHBondContact O-N 3.31Å; S516-R519 PolarHBondContact O-N 3.28Å; S516-K520 WeakPolarHBondContact O-CB 3.32Å; S516-K520 PolarHBondContact O-N 2.94Å
517	D	29.5	Very low	29.4	Very low	113 Å²	113	136.3 Å²	136.3	60%	0.604	68%	0.679	S	S	*	*	H	α-helix	trans	-80.3	-32.5	-177.8	-68.5	-14.3	0	0	0	112.6	A521	D517-A521 WeakPolarHBondContact O-CB 3.46Å; D517-A521 PolarHBondContact O-N 3.25Å
518	Q	33.4	Very low	29.6	Very low	151 Å²	151	136.3 Å²	136.3	71%	0.706	67%	0.672	S	S	*	*	H	α-helix	trans	-70.9	-30.7	171.4	-77.8	-172.1	-16.8	0	0	112.8	L522	Q518-L522 WeakPolarHBondContact O-CB 3.36Å; Q518-L522 WeakPolarHBondContact O-CD1 3.19Å; Q518-L522 VanDerWaalsContact O-CG 3.26Å; Q518-L522 WeakPolarHBondContact O-CG 3.16Å; Q518-L522 PolarHBondContact O-N 2.99Å
519	R	31.9	Very low	29.8	Very low	168 Å²	168	136.1 Å²	136.1	63%	0.634	67%	0.671	S	S	*	*	H	α-helix	trans	-80.3	-28.1	176.2	-75.3	-177.1	-175.9	-175.3	3.3	112.8	A515 S516 R523	A515-R519 WeakPolarHBondContact O-CG 3.36Å; S516-R519 PolarHBondContact O-N 3.28Å; R519-R523 WeakPolarHBondContact O-CG 3.3Å; R519-R523 PolarHBondContact O-N 3.19Å; R519-R523 VanDerWaalsContact O-N 3.12Å
520	K	31.8	Very low	30	Very low	140 Å²	140	134.9 Å²	134.9	61%	0.609	67%	0.668	S	S	*	*	H	α-helix	trans	-69.7	-45.8	171	-159.5	174.2	-178.7	-175.8	0	110.8	S516 L522 R523 D524	S516-K520 WeakPolarHBondContact O-CB 3.32Å; S516-K520 PolarHBondContact O-N 2.94Å; K520-L522 PolarHBondContact O-N 3.2Å; K520-R523 PolarHBondContact O-N 3.05Å; K520-R523 VanDerWaalsContact O-N 3.08Å; K520-D524 PolarHBondContact O-N 3.18Å; K520-D524 VanDerWaalsContact O-N 3.12Å
521	A	32.3	Very low	30.1	Very low	75 Å²	75	138.3 Å²	138.3	62%	0.62	67%	0.665	S	S	*	*	H	α-helix	trans	-61.5	-24.9	173.7	0	0	0	0	0	114.4	D517	D517-A521 WeakPolarHBondContact O-CB 3.46Å; D517-A521 PolarHBondContact O-N 3.25Å
522	L	32.2	Very low	30.3	Very low	113 Å²	113	130.2 Å²	130.2	59%	0.592	65%	0.646	S	S	*	*	H	α-helix	trans	-91.4	-16.2	175.8	-74.5	169.8	0	0	0	114.2	Q518 K520	Q518-L522 WeakPolarHBondContact O-CB 3.36Å; Q518-L522 WeakPolarHBondContact O-CD1 3.19Å; Q518-L522 VanDerWaalsContact O-CG 3.26Å; Q518-L522 WeakPolarHBondContact O-CG 3.16Å; Q518-L522 PolarHBondContact O-N 2.99Å; K520-L522 PolarHBondContact O-N 3.2Å
523	R	32.8	Very low	30.4	Very low	199 Å²	199	127.6 Å²	127.6	75%	0.751	64%	0.644	S	S	*	*	H	α-helix	trans	-91.1	-27.4	176	-77.4	-172.6	-159.2	-167.9	5.3	113.3	R519 K520 R525	R519-R523 WeakPolarHBondContact O-CG 3.3Å; R519-R523 PolarHBondContact O-N 3.19Å; R519-R523 VanDerWaalsContact O-N 3.12Å; K520-R523 PolarHBondContact O-N 3.05Å; K520-R523 VanDerWaalsContact O-N 3.08Å; R523-R525 PolarHBondContact O-N 3.17Å
524	D	35.3	Very low	30.6	Very low	92 Å²	92	122.6 Å²	122.6	49%	0.492	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-76.6	17.9	175.2	-64.1	-23.6	0	0	0	113.3	K520 E526 G527	K520-D524 PolarHBondContact O-N 3.18Å; K520-D524 VanDerWaalsContact O-N 3.12Å; D524-E526 PolarHBondContact O-N 3.24Å; D524-G527 PolarHBondContact O-N 3.25Å
525	R	35.7	Very low	30.5	Very low	170 Å²	170	124.1 Å²	124.1	64%	0.642	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-72.4	-6.1	-173.5	-159.7	173.3	176.1	179.8	-3.7	114	R523	R523-R525 PolarHBondContact O-N 3.17Å
526	E	32.5	Very low	30.6	Very low	189 Å²	189	127 Å²	127	88%	0.883	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-92.8	-13.3	173.2	-70.7	-178.5	168.8	0	0	113.3	D524	D524-E526 PolarHBondContact O-N 3.24Å
527	G	32.8	Very low	30.2	Very low	59 Å²	59	132.4 Å²	132.4	61%	0.608	66%	0.655	S	S	*	*	S	Bend	trans	-96.2	-11.3	-177.3	0	0	0	0	0	116.6	D524	D524-G527 PolarHBondContact O-N 3.25Å
528	Y	29.9	Very low	30	Very low	161 Å²	161	138.5 Å²	138.5	63%	0.631	67%	0.67	S	S	*	*			trans	-124	34.2	-168.7	-77.3	-85	0	0	0	114.1	S530 F531	Y528-S530 PolarHBondContact O-N 2.85Å; Y528-F531 AromaticContact CD1-CD2 3.98Å; Y528-F531 HydrophobicContact CD1-CD2 3.98Å; Y528-F531 HydrophobicContact CE1-CD2 4.41Å
529	Q	29.4	Very low	29.5	Very low	184 Å²	184	142.5 Å²	142.5	86%	0.86	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-2.8	173.7	-81.1	-171.7	-1.7	0	0	114.5
530	S	28.7	Very low	29.3	Very low	95 Å²	95	139.4 Å²	139.4	66%	0.664	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	1.1	-174.2	54.1	0	0	0	0	116.5	Y528	Y528-S530 PolarHBondContact O-N 2.85Å
531	F	25.6	Very low	29.1	Very low	135 Å²	135	140 Å²	140	59%	0.592	69%	0.692	S	S	*	*			trans	-106.2	99.5	-178.8	-73.4	-80.3	0	0	0	113.5	Y528	Y528-F531 AromaticContact CD1-CD2 3.98Å; Y528-F531 HydrophobicContact CD1-CD2 3.98Å; Y528-F531 HydrophobicContact CE1-CD2 4.41Å
532	S	27.1	Very low	28.8	Very low	72 Å²	72	145.5 Å²	145.5	50%	0.503	70%	0.702	S	S	.	*			trans	-38.5	141.6	162.7	159.4	0	0	0	0	112.1	S534	S532-S534 PolarHBondContact O-N 3.01Å; S532-S534 PolarHBondContact OG-OG 3.29Å
533	P	26.4	Very low	28.6	Very low	118 Å²	118	152.6 Å²	152.6	77%	0.766	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	17.4	-177.8	-12.1	27.1	0	0	0	115.8
534	S	27.9	Very low	28.3	Very low	87 Å²	87	146.4 Å²	146.4	61%	0.608	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	2.5	-174.8	48.6	0	0	0	0	114.9	S532	S532-S534 PolarHBondContact O-N 3.01Å; S532-S534 PolarHBondContact OG-OG 3.29Å
535	W	25.9	Very low	27.8	Very low	172 Å²	172	146.9 Å²	146.9	65%	0.652	73%	0.73	S	S	*	*	S	Bend	trans	-92	-10.7	-177.7	60.9	-70.6	0	0	0	115.1
536	I	29.4	Very low	27.3	Very low	114 Å²	114	147.2 Å²	147.2	59%	0.585	74%	0.744	S	S	*	*	S	Bend	trans	-92	-5.8	-176.4	-64.4	173.1	0	0	0	113.3
537	F	24.4	Very low	26.9	Very low	174 Å²	174	148.4 Å²	148.4	76%	0.763	74%	0.74	S	S	*	*			trans	-140.6	70.7	176.6	-69.4	-80.1	0	0	0	112.9
538	R	23.9	Very low	26.6	Very low	240 Å²	240	154.3 Å²	154.3	91%	0.906	75%	0.751	S	S	*	*			trans	-96	103.1	151.1	-88.9	-171.9	172.1	-178.2	-1.5	108.9	S540	R538-S540 PolarHBondContact O-N 2.97Å
539	R	24	Very low	26.4	Very low	236 Å²	236	155.2 Å²	155.2	89%	0.891	76%	0.761	S	S	*	*			trans	-58.2	115.2	156.4	-74.7	-178.2	173.1	-173	-2.4	107.4
540	S	27.4	Very low	26.1	Very low	103 Å²	103	154.3 Å²	154.3	72%	0.72	76%	0.762	S	S	*	*			trans	-98.5	105.5	153.8	55.7	0	0	0	0	107.8	R538 K542	R538-S540 PolarHBondContact O-N 2.97Å; S540-K542 PolarHBondContact O-N 2.77Å
541	N	27.6	Very low	26	Very low	152 Å²	152	159.8 Å²	159.8	81%	0.813	79%	0.791	S	S	*	*			trans	-66.8	85.6	161.6	-81.7	-11.4	0	0	0	107.6
542	K	26.7	Very low	26	Very low	190 Å²	190	161 Å²	161	83%	0.826	80%	0.801	S	S	*	*	S	Bend	trans	-169.3	130.1	159.5	-104.4	168.4	-168	-166	0	109	S540 G544	S540-K542 PolarHBondContact O-N 2.77Å; K542-G544 PolarHBondContact O-N 3.31Å
543	R	28.2	Very low	26	Very low	263 Å²	263	165.7 Å²	165.7	99%	0.992	82%	0.816	S	S	*	*			trans	-47.4	123.4	172.1	-78.3	177.6	174.6	-171.1	-1	109.6
544	G	24.9	Very low	26	Very low	69 Å²	69	168.3 Å²	168.3	71%	0.711	82%	0.819	S	S	*	*			trans	175	96.7	176.8	0	0	0	0	0	114.2	K542	K542-G544 PolarHBondContact O-N 3.31Å
545	S	24.5	Very low	25.8	Very low	102 Å²	102	173.1 Å²	173.1	71%	0.713	83%	0.832	S	S	*	*			trans	36.8	96.4	138.9	-165.3	0	0	0	0	118.2	R547	S545-R547 PolarHBondContact O-N 3.25Å
546	L	26.9	Very low	25.8	Very low	177 Å²	177	173.2 Å²	173.2	93%	0.927	84%	0.843	S	S	*	*			trans	-78.1	88.1	157.1	-98.3	148.9	0	0	0	108.2
547	R	24.2	Very low	25.6	Very low	214 Å²	214	177.1 Å²	177.1	81%	0.808	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-71.8	129.4	159.7	-75.7	-173.3	173.3	-174	-1	108	S545 H549	S545-R547 PolarHBondContact O-N 3.25Å; R547-H549 PolarHBondContact O-N 3.42Å
548	H	26.2	Very low	25.7	Very low	183 Å²	183	177.4 Å²	177.4	85%	0.847	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-57.3	120	171.5	-83.4	-101.8	0	0	0	109.6	N550	H548-N550 PolarHBondContact O-N 3.09Å
549	H	25.7	Very low	25.8	Very low	180 Å²	180	172.5 Å²	172.5	83%	0.833	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-77.2	116	156.9	-79.5	-72.4	0	0	0	107.1	R547 V551	R547-H549 PolarHBondContact O-N 3.42Å; H549-V551 PolarHBondContact O-N 3.16Å
550	N	22.3	Very low	26	Very low	165 Å²	165	167.3 Å²	167.3	88%	0.882	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-57.7	125.3	168.6	-86.6	-12.8	0	0	0	109	H548	H548-N550 PolarHBondContact O-N 3.09Å
551	V	27.4	Very low	25.9	Very low	209 Å²	209	173.1 Å²	173.1	100%	1.267	88%	0.875	S	S	*	*			trans	-113.4	0	157.5	177.7	0	0	0	0	106.9	H549	H549-V551 PolarHBondContact O-N 3.16Å

Retrieved 551 of 551 residues in 318.3 ms (Link to these results)

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