A0A077Z1W0_TRITR Loading...

POU domain protein

AlphaFold DB , UniProt , Accession A0A077Z1W0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 269 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	45.2	Very low	52.8	Low	224 Å²	224	137.4 Å²	137.4	100%	1.103	62%	0.624	S	S	*	*				0	-32.3	0	-110.2	81.1	152.5	0	0	116	R3	M1-R3 PolarHBondContact O-N 3.43Å
2	N	56.9	Low	52.8	Low	105 Å²	105	143.2 Å²	143.2	56%	0.561	64%	0.637	S	S	*	*	H	α-helix	trans	-74.6	-23	-167.6	-68.4	4	0	0	0	117.5	R4	N2-R4 PolarHBondContact O-N 3.02Å
3	R	55.8	Low	53	Low	199 Å²	199	144.6 Å²	144.6	75%	0.751	64%	0.643	S	S	*	*	H	α-helix	trans	-67.3	-33.9	-175.6	-107.4	-179	169.7	179.2	-5.4	114.5	M1 S7 N86	M1-R3 PolarHBondContact O-N 3.43Å; R3-S7 PolarHBondContact O-N 2.99Å; R3-N86 PolarHBondContact NH2-OD1 3.34Å
4	R	55.1	Low	52.7	Low	204 Å²	204	144.3 Å²	144.3	77%	0.77	64%	0.644	S	S	*	*	H	α-helix	trans	-77.6	-27	-176.8	-73.2	-174	174.9	-176.1	-0.4	112.6	N2 R8	N2-R4 PolarHBondContact O-N 3.02Å; R4-R8 WeakPolarHBondContact O-CG 3.2Å; R4-R8 PolarHBondContact O-N 3.46Å
5	R	54.1	Low	52.5	Low	205 Å²	205	142 Å²	142	77%	0.774	65%	0.648	S	S	*	*	H	α-helix	trans	-78.3	-45.4	-178.3	-147.5	173.4	177.6	171.3	-2.7	111.5	S7 R8 L9	R5-S7 VanDerWaalsContact C-N 3.33Å; R5-S7 PolarHBondContact O-N 2.77Å; R5-R8 PolarHBondContact O-N 3.37Å; R5-L9 PolarHBondContact O-N 2.83Å
6	A	50.6	Low	52.5	Low	19 Å²	19	141.1 Å²	141.1	16%	0.157	66%	0.657	C	S	.	*	H	α-helix	trans	-59.8	-39.7	174.5	0	0	0	0	0	112.7	R8 L9 A10 L85	A6-R8 PolarHBondContact O-N 3.48Å; A6-L9 PolarHBondContact O-N 2.93Å; A6-A10 WeakPolarHBondContact O-CB 3.2Å; A6-A10 PolarHBondContact O-N 2.81Å; A6-L85 HydrophobicContact CB-CB 4.31Å; A6-L85 HydrophobicContact CB-CD1 4.42Å
7	S	55.2	Low	52.6	Low	71 Å²	71	144.9 Å²	144.9	50%	0.497	67%	0.671	S	S	.	*	H	α-helix	trans	-67.3	-30.8	177.7	177.8	0	0	0	0	113.8	R3 R5	R3-S7 PolarHBondContact O-N 2.99Å; R5-S7 VanDerWaalsContact C-N 3.33Å; R5-S7 PolarHBondContact O-N 2.77Å
8	R	49.6	Very low	52.4	Low	197 Å²	197	145.2 Å²	145.2	74%	0.743	68%	0.678	S	S	*	*	H	α-helix	trans	-73.3	-33.3	177.4	-73.6	179.9	-171.8	-172.9	1.4	112	R4 R5 A6	R4-R8 WeakPolarHBondContact O-CG 3.2Å; R4-R8 PolarHBondContact O-N 3.46Å; R5-R8 PolarHBondContact O-N 3.37Å; A6-R8 PolarHBondContact O-N 3.48Å
9	L	47.9	Very low	51.7	Low	79 Å²	79	142.1 Å²	142.1	41%	0.414	69%	0.689	S	S	.	*	H	α-helix	trans	-85.3	-31.7	179.9	-139.3	75.2	0	0	0	113.1	R5 A6 K11 R12 E42	R5-L9 PolarHBondContact O-N 2.83Å; A6-L9 PolarHBondContact O-N 2.93Å; L9-K11 PolarHBondContact O-N 3.43Å; L9-K11 VanDerWaalsContact O-N 3.16Å; L9-R12 WeakPolarHBondContact O-CA 3.43Å; L9-R12 VanDerWaalsContact O-CB 3.23Å; L9-R12 WeakPolarHBondContact O-CB 3.1Å; L9-R12 PolarHBondContact O-N 2.62Å; L9-E42 WeakPolarHBondContact CD2-OE2 3.37Å
10	A	53.1	Low	51.1	Low	49 Å²	49	142.8 Å²	142.8	41%	0.405	70%	0.696	S	S	.	*	H	α-helix	trans	-61.2	-23.5	174.3	0	0	0	0	0	113.4	A6 R12	A6-A10 WeakPolarHBondContact O-CB 3.2Å; A6-A10 PolarHBondContact O-N 2.81Å; A10-R12 VanDerWaalsContact C-N 3.26Å; A10-R12 PolarHBondContact O-N 3.03Å
11	K	57.5	Low	50.8	Low	159 Å²	159	140.3 Å²	140.3	69%	0.691	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-21.1	170.9	-72.1	-174.5	178.1	-170.3	0	113.1	L9	L9-K11 PolarHBondContact O-N 3.43Å; L9-K11 VanDerWaalsContact O-N 3.16Å
12	R	53.2	Low	50.6	Low	207 Å²	207	137 Å²	137	78%	0.781	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-22.1	-178.6	-168	158.4	-175.1	166.8	0.1	113.5	L9 A10	L9-R12 WeakPolarHBondContact O-CA 3.43Å; L9-R12 VanDerWaalsContact O-CB 3.23Å; L9-R12 WeakPolarHBondContact O-CB 3.1Å; L9-R12 PolarHBondContact O-N 2.62Å; A10-R12 VanDerWaalsContact C-N 3.26Å; A10-R12 PolarHBondContact O-N 3.03Å
13	F	54.6	Low	50.1	Low	162 Å²	162	141 Å²	141	71%	0.711	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	16.2	-178.5	-73	-81.3	0	0	0	113.8
14	Q	49.4	Very low	50.1	Low	140 Å²	140	139.4 Å²	139.4	65%	0.654	70%	0.7	S	S	*	*	S	Bend	trans	-73.6	129.8	166.9	-65.1	-155.4	21	0	0	109	T16	Q14-T16 PolarHBondContact O-N 2.7Å
15	P	50	Low	50	Low	110 Å²	110	134.7 Å²	134.7	71%	0.714	70%	0.696	S	S	*	*			trans	-61.8	113.6	174.4	24	-30.3	0	0	0	108.3	K17	P15-K17 PolarHBondContact O-N 3.32Å
16	T	52.3	Low	49.4	Very low	127 Å²	127	130.4 Å²	130.4	78%	0.779	70%	0.697	S	S	*	*			trans	-65	114.9	172.5	49.5	0	0	0	0	107.8	Q14 N18	Q14-T16 PolarHBondContact O-N 2.7Å; T16-N18 PolarHBondContact O-N 2.98Å
17	K	53.9	Low	49.4	Very low	207 Å²	207	134.7 Å²	134.7	90%	0.9	72%	0.721	S	S	*	*			trans	-71.3	68.4	170.1	-71.4	-174.3	174.3	-176.4	0	110	P15	P15-K17 PolarHBondContact O-N 3.32Å
18	N	48.8	Very low	49.3	Very low	150 Å²	150	134.8 Å²	134.8	80%	0.802	73%	0.726	S	S	*	*			trans	-146.4	118.3	165.8	-93.5	-12.6	0	0	0	108.4	T16 N20	T16-N18 PolarHBondContact O-N 2.98Å; N18-N20 PolarHBondContact O-N 3.31Å
19	G	38.8	Very low	49.4	Very low	85 Å²	85	129.5 Å²	129.5	88%	0.876	72%	0.718	S	S	*	*			trans	-70	121.1	176	0	0	0	0	0	110.6
20	N	40.6	Very low	49.4	Very low	157 Å²	157	129.6 Å²	129.6	84%	0.84	73%	0.725	S	S	*	*			trans	-156.4	144.3	141.1	-149.6	23.4	0	0	0	108.2	N18	N18-N20 PolarHBondContact O-N 3.31Å
21	S	43.9	Very low	49.4	Very low	91 Å²	91	135.2 Å²	135.2	64%	0.636	75%	0.748	S	S	*	*			trans	-58.8	154.8	-169.7	-39	0	0	0	0	114.3
22	D	42	Very low	49.1	Very low	155 Å²	155	132.3 Å²	132.3	83%	0.829	74%	0.74	S	S	*	*			trans	71.4	88.8	155.6	-50.8	-39.5	0	0	0	117.8
23	E	45.5	Very low	49.3	Very low	189 Å²	189	128.7 Å²	128.7	88%	0.883	74%	0.744	S	S	*	*				176.3	111.4	122.1	-93.8	-158.1	137.1	0	0	109.3	P25	E23-P25 WeakPolarHBondContact O-CD 3.26Å
24	I	55	Low	49.1	Very low	165 Å²	165	129.6 Å²	129.6	85%	0.846	75%	0.75	S	S	*	*			trans	-87	116.3	167.8	-60.5	175	0	0	0	106.9	S26	I24-S26 PolarHBondContact O-N 2.85Å
25	P	53.2	Low	49.7	Very low	105 Å²	105	127 Å²	127	68%	0.682	74%	0.74	S	S	*	*			trans	-74.9	99.7	169.3	-5.1	22.4	0	0	0	108.1	E23 T27	E23-P25 WeakPolarHBondContact O-CD 3.26Å; P25-T27 PolarHBondContact O-N 2.91Å; P25-T27 PolarHBondContact O-OG1 2.97Å
26	S	41.4	Very low	51	Low	114 Å²	114	124.4 Å²	124.4	80%	0.797	72%	0.724	S	S	*	*			trans	-60.3	97.3	165.2	-176.1	0	0	0	0	108.6	I24	I24-S26 PolarHBondContact O-N 2.85Å
27	T	52.4	Low	52.4	Low	109 Å²	109	123.5 Å²	123.5	67%	0.669	71%	0.711	S	S	*	*			trans	-115.9	82.4	171.1	38.2	0	0	0	0	107.6	P25	P25-T27 PolarHBondContact O-N 2.91Å; P25-T27 PolarHBondContact O-OG1 2.97Å
28	A	51.4	Low	53.9	Low	73 Å²	73	116.7 Å²	116.7	60%	0.603	68%	0.684	S	S	*	*			trans	-56.1	146.1	160.9	0	0	0	0	0	109	S30	A28-S30 VanDerWaalsContact C-N 3.26Å; A28-S30 PolarHBondContact O-N 2.93Å
29	P	53.1	Low	55.6	Low	86 Å²	86	113.9 Å²	113.9	56%	0.558	67%	0.666	S	S	*	*			trans	-70.3	85.2	172.5	28.8	-31.6	0	0	0	109.2	N31 F43	P29-N31 PolarHBondContact O-N 3.18Å; P29-F43 HydrophobicContact CB-CE1 3.69Å; P29-F43 HydrophobicContact CB-CZ 3.79Å
30	S	48.1	Very low	58	Low	82 Å²	82	111.4 Å²	111.4	57%	0.573	64%	0.635	S	S	*	*			trans	-65.3	123.4	161.7	44.5	0	0	0	0	107.8	A28 D32	A28-S30 VanDerWaalsContact C-N 3.26Å; A28-S30 PolarHBondContact O-N 2.93Å; S30-D32 PolarHBondContact O-N 2.87Å
31	N	51.9	Low	60.6	Low	166 Å²	166	104 Å²	104	89%	0.888	60%	0.595	S	S	*	*			trans	-64	73	171.5	-79.9	-42.3	0	0	0	109.9	P29 P33	P29-N31 PolarHBondContact O-N 3.18Å; N31-P33 WeakPolarHBondContact O-CD 3.36Å
32	D	50.4	Low	62.9	Low	98 Å²	98	101.5 Å²	101.5	52%	0.524	57%	0.574	S	S	.	*			trans	-77.6	111.5	172.4	-90.8	-50.9	0	0	0	109.6	S30 H34 L35	S30-D32 PolarHBondContact O-N 2.87Å; D32-H34 PolarHBondContact O-N 3.31Å; D32-L35 HydrophobicContact CB-CD1 4.18Å; D32-L35 HydrophobicContact CB-CG 4.39Å; D32-L35 PolarHBondContact O-N 2.84Å
33	P	57.8	Low	65.3	Low	131 Å²	131	98.3 Å²	98.3	85%	0.851	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	2.1	-179.2	28.5	-33.6	0	0	0	113.5	N31	N31-P33 WeakPolarHBondContact O-CD 3.36Å
34	H	51.3	Low	67.8	Low	182 Å²	182	89.8 Å²	89.8	84%	0.843	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-1	-176.6	-128.9	-71.5	0	0	0	114.6	D32 S36	D32-H34 PolarHBondContact O-N 3.31Å; H34-S36 PolarHBondContact O-N 3.45Å
35	L	61.3	Low	69.8	Low	86 Å²	86	82 Å²	82	45%	0.45	47%	0.473	S	S	.	.	S	Bend	trans	-69.4	128.4	174.2	-78.8	160.2	0	0	0	110.1	D32 E39	D32-L35 HydrophobicContact CB-CD1 4.18Å; D32-L35 HydrophobicContact CB-CG 4.39Å; D32-L35 PolarHBondContact O-N 2.84Å; L35-E39 HydrophobicContact CB-CB 4.47Å; L35-E39 HydrophobicContact CD2-CB 3.68Å; L35-E39 HydrophobicContact CD2-CG 4.47Å
36	S	78.4	Confident	71.8	Confident	54 Å²	54	79.3 Å²	79.3	38%	0.378	46%	0.46	S	S	.	.			trans	-58.9	147	171.3	67.9	0	0	0	0	109.7	H34 L38 E39 S40	H34-S36 PolarHBondContact O-N 3.45Å; S36-L38 CarbonylContact O-C 3.59Å; S36-L38 PolarHBondContact O-N 3.33Å; S36-E39 WeakPolarHBondContact CB-OE2 3.06Å; S36-E39 PolarHBondContact N-OE2 3.38Å; S36-E39 PolarHBondContact O-N 3.36Å; S36-E39 VanDerWaalsContact OG-CG 3.23Å; S36-E39 WeakPolarHBondContact OG-CG 3.23Å; S36-E39 PolarHBondContact OG-N 3.06Å; S36-E39 PolarHBondContact OG-OE2 3.43Å; S36-S40 PolarHBondContact O-N 2.96Å
37	H	81.8	Confident	74.5	Confident	108 Å²	108	76.2 Å²	76.2	50%	0.5	43%	0.433	S	S	.	.	H	α-helix	trans	-53.1	-28.3	179	-174.7	68.4	0	0	0	113.2	L41 S93	H37-L41 WeakPolarHBondContact O-CG 3.5Å; H37-L41 PolarHBondContact O-N 3.29Å; H37-S93 PolarHBondContact NE2-OG 3.13Å
38	L	83.7	Confident	76.7	Confident	65 Å²	65	71 Å²	71	34%	0.34	40%	0.401	S	S	.	.	H	α-helix	trans	-69.2	-51.5	173.1	-173.8	64.8	0	0	0	111.4	S36 S40 L41 E42 V89	S36-L38 CarbonylContact O-C 3.59Å; S36-L38 PolarHBondContact O-N 3.33Å; L38-S40 PolarHBondContact O-N 3.43Å; L38-L41 WeakPolarHBondContact O-CA 3.23Å; L38-L41 WeakPolarHBondContact O-CB 3.29Å; L38-L41 PolarHBondContact O-N 2.87Å; L38-E42 WeakPolarHBondContact O-CG 3.32Å; L38-E42 PolarHBondContact O-N 2.97Å; L38-V89 HydrophobicContact CD1-CG2 4Å
39	E	84.7	Confident	78.9	Confident	91 Å²	91	72.7 Å²	72.7	43%	0.425	39%	0.392	S	S	.	.	H	α-helix	trans	-59.5	-36.8	178.3	-70.7	159.7	154.5	0	0	112	L35 S36 L41 E42 F43	L35-E39 HydrophobicContact CB-CB 4.47Å; L35-E39 HydrophobicContact CD2-CB 3.68Å; L35-E39 HydrophobicContact CD2-CG 4.47Å; S36-E39 WeakPolarHBondContact CB-OE2 3.06Å; S36-E39 PolarHBondContact N-OE2 3.38Å; S36-E39 PolarHBondContact O-N 3.36Å; S36-E39 VanDerWaalsContact OG-CG 3.23Å; S36-E39 WeakPolarHBondContact OG-CG 3.23Å; S36-E39 PolarHBondContact OG-N 3.06Å; S36-E39 PolarHBondContact OG-OE2 3.43Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 2.89Å; E39-E42 PolarHBondContact O-N 3.32Å; E39-F43 PolarHBondContact O-N 2.86Å
40	S	90.5	Very high	81	Confident	32 Å²	32	75.1 Å²	75.1	22%	0.224	40%	0.395	C	S	.	.	H	α-helix	trans	-60.7	-37.9	173.7	-167.5	0	0	0	0	112.5	S36 L38 F44 R96	S36-S40 PolarHBondContact O-N 2.96Å; L38-S40 PolarHBondContact O-N 3.43Å; S40-F44 VanDerWaalsContact O-CB 3.26Å; S40-F44 WeakPolarHBondContact O-CB 3.45Å; S40-F44 PolarHBondContact O-N 2.77Å; S40-R96 PolarHBondContact OG-NH1 2.98Å
41	L	93.6	Very high	83.3	Confident	1 Å²	1	74 Å²	74	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-73	-34.5	174.8	-73.5	170	0	0	0	112.7	H37 L38 E39 F44 A45 V89 M92 R96	H37-L41 WeakPolarHBondContact O-CG 3.5Å; H37-L41 PolarHBondContact O-N 3.29Å; L38-L41 WeakPolarHBondContact O-CA 3.23Å; L38-L41 WeakPolarHBondContact O-CB 3.29Å; L38-L41 PolarHBondContact O-N 2.87Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 2.89Å; L41-F44 PolarHBondContact O-N 3.39Å; L41-A45 WeakPolarHBondContact O-CB 3.32Å; L41-A45 PolarHBondContact O-N 3.32Å; L41-V89 HydrophobicContact CD1-CG1 3.79Å; L41-M92 HydrophobicContact CD1-CB 4.01Å; L41-M92 HydrophobicContact CD2-CB 4.09Å; L41-R96 HydrophobicContact CD2-CB 4.32Å
42	E	92.4	Very high	85.5	Confident	39 Å²	39	67.4 Å²	67.4	18%	0.182	34%	0.343	C	S	.	.	H	α-helix	trans	-64	-49.4	175.9	-63.3	-172.2	167.2	0	0	110.8	L9 L38 E39 F44 A45 A46 L85	L9-E42 WeakPolarHBondContact CD2-OE2 3.37Å; L38-E42 WeakPolarHBondContact O-CG 3.32Å; L38-E42 PolarHBondContact O-N 2.97Å; E39-E42 PolarHBondContact O-N 3.32Å; E42-F44 VanDerWaalsContact C-N 3.34Å; E42-F44 PolarHBondContact O-N 2.83Å; E42-A45 PolarHBondContact O-N 3.08Å; E42-A46 PolarHBondContact O-N 3.44Å; E42-A46 VanDerWaalsContact O-N 3.1Å; E42-L85 HydrophobicContact CB-CD1 4.25Å; E42-L85 HydrophobicContact CG-CD1 3.69Å
43	F	94.1	Very high	87.7	Confident	89 Å²	89	67.4 Å²	67.4	39%	0.39	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-45.7	174.4	-178.2	-88.9	0	0	0	111.4	P29 E39 A45 A46 H47	P29-F43 HydrophobicContact CB-CE1 3.69Å; P29-F43 HydrophobicContact CB-CZ 3.79Å; E39-F43 PolarHBondContact O-N 2.86Å; F43-A45 PolarHBondContact O-N 3.01Å; F43-A46 PolarHBondContact O-N 3.3Å; F43-H47 HydrophobicContact CE1-CB 4.31Å; F43-H47 WeakPolarHBondContact O-CB 3.34Å; F43-H47 PolarHBondContact O-N 3.05Å
44	F	96.8	Very high	89.5	Confident	9 Å²	9	65.1 Å²	65.1	4%	0.039	33%	0.334	C	S	.	.	H	α-helix	trans	-62.4	-42.9	179.4	-177.9	-93.2	0	0	0	112.8	S40 L41 E42 A46 H47 F48 F82 R96 I99 E100 I103	S40-F44 VanDerWaalsContact O-CB 3.26Å; S40-F44 WeakPolarHBondContact O-CB 3.45Å; S40-F44 PolarHBondContact O-N 2.77Å; L41-F44 PolarHBondContact O-N 3.39Å; E42-F44 VanDerWaalsContact C-N 3.34Å; E42-F44 PolarHBondContact O-N 2.83Å; F44-A46 VanDerWaalsContact C-N 3.34Å; F44-A46 PolarHBondContact O-N 3.35Å; F44-H47 PolarHBondContact O-N 3.47Å; F44-F48 HydrophobicContact CE1-CB 4.47Å; F44-F48 VanDerWaalsContact O-CB 3.28Å; F44-F48 WeakPolarHBondContact O-CB 3.34Å; F44-F48 PolarHBondContact O-N 3.47Å; F44-F82 AromaticContact CD1-CE1 3.85Å; F44-F82 HydrophobicContact CD1-CE1 3.85Å; F44-F82 AromaticContact CD1-CZ 3.65Å; F44-F82 HydrophobicContact CD1-CZ 3.65Å; F44-F82 AromaticContact CE1-CE1 3.74Å; F44-F82 HydrophobicContact CE1-CE1 3.74Å; F44-F82 AromaticContact CE1-CZ 3.56Å; F44-F82 HydrophobicContact CE1-CZ 3.56Å; F44-R96 HydrophobicContact CD1-CB 4.28Å; F44-R96 HydrophobicContact CD1-CG 3.91Å; F44-R96 HydrophobicContact CD2-CG 4.11Å; F44-R96 HydrophobicContact CE1-CB 4.11Å; F44-R96 HydrophobicContact CE1-CG 3.82Å; F44-R96 HydrophobicContact CE2-CG 4.02Å; F44-R96 HydrophobicContact CG-CG 4.05Å; F44-R96 HydrophobicContact CZ-CG 3.88Å; F44-I99 HydrophobicContact CE1-CB 4.01Å; F44-I99 HydrophobicContact CE1-CG2 3.8Å; F44-I99 HydrophobicContact CZ-CB 3.98Å; F44-I99 HydrophobicContact CZ-CG2 3.76Å; F44-E100 HydrophobicContact CE2-CB 3.74Å; F44-E100 HydrophobicContact CE2-CG 4Å; F44-E100 HydrophobicContact CZ-CB 3.86Å; F44-I103 HydrophobicContact CZ-CD1 4.42Å
45	A	97.1	Very high	91.5	Very high	2 Å²	2	58.1 Å²	58.1	2%	0.017	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-39.2	178.5	0	0	0	0	0	111.9	L41 E42 F43 R49 F82 L85 M92	L41-A45 WeakPolarHBondContact O-CB 3.32Å; L41-A45 PolarHBondContact O-N 3.32Å; E42-A45 PolarHBondContact O-N 3.08Å; F43-A45 PolarHBondContact O-N 3.01Å; A45-R49 WeakPolarHBondContact O-CB 3.28Å; A45-R49 PolarHBondContact O-N 3.38Å; A45-F82 HydrophobicContact CB-CE1 4.4Å; A45-L85 HydrophobicContact CB-CD2 3.53Å; A45-L85 HydrophobicContact CB-CG 4.44Å; A45-M92 HydrophobicContact CB-CE 4.39Å
46	A	96.1	Very high	93.2	Very high	48 Å²	48	56.1 Å²	56.1	40%	0.397	30%	0.303	S	S	.	.	H	α-helix	trans	-65.4	-47.6	174.5	0	0	0	0	0	111.8	E42 F43 F44 F48 R49 Q50	E42-A46 PolarHBondContact O-N 3.44Å; E42-A46 VanDerWaalsContact O-N 3.1Å; F43-A46 PolarHBondContact O-N 3.3Å; F44-A46 VanDerWaalsContact C-N 3.34Å; F44-A46 PolarHBondContact O-N 3.35Å; A46-F48 PolarHBondContact O-N 3.48Å; A46-R49 PolarHBondContact O-N 3.39Å; A46-Q50 PolarHBondContact O-N 3.22Å
47	H	97	Very high	94	Very high	49 Å²	49	54.4 Å²	54.4	23%	0.227	29%	0.288	C	S	.	.	H	α-helix	trans	-58.6	-46.9	176.1	177.8	-114.1	0	0	0	111.6	F43 F44 R49 Q50 K51	F43-H47 HydrophobicContact CE1-CB 4.31Å; F43-H47 WeakPolarHBondContact O-CB 3.34Å; F43-H47 PolarHBondContact O-N 3.05Å; F44-H47 PolarHBondContact O-N 3.47Å; H47-R49 PolarHBondContact O-N 2.99Å; H47-Q50 PolarHBondContact O-N 3.4Å; H47-K51 WeakPolarHBondContact NE2-CE 3.49Å; H47-K51 WeakPolarHBondContact O-CG 3.48Å; H47-K51 PolarHBondContact O-N 3.29Å
48	F	98.2	Very high	94.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.6	-47.2	175.7	166.7	-120.5	0	0	0	111.9	F44 A46 Q50 K51 R52 V62 I79 F82 E83 I99 W102 I103	F44-F48 HydrophobicContact CE1-CB 4.47Å; F44-F48 VanDerWaalsContact O-CB 3.28Å; F44-F48 WeakPolarHBondContact O-CB 3.34Å; F44-F48 PolarHBondContact O-N 3.47Å; A46-F48 PolarHBondContact O-N 3.48Å; F48-Q50 VanDerWaalsContact C-N 3.33Å; F48-Q50 PolarHBondContact O-N 2.84Å; F48-K51 PolarHBondContact O-N 2.9Å; F48-R52 HydrophobicContact CE2-CB 4.48Å; F48-R52 VanDerWaalsContact O-CB 3.28Å; F48-R52 WeakPolarHBondContact O-CB 3.36Å; F48-R52 PolarHBondContact O-N 2.89Å; F48-V62 HydrophobicContact CE2-CG1 4.18Å; F48-V62 HydrophobicContact CZ-CG1 3.97Å; F48-I79 HydrophobicContact CE1-CG2 3.89Å; F48-I79 HydrophobicContact CZ-CG2 3.88Å; F48-F82 AromaticContact CD1-CD1 3.77Å; F48-F82 HydrophobicContact CD1-CD1 3.77Å; F48-F82 AromaticContact CD1-CE1 3.96Å; F48-F82 HydrophobicContact CD1-CE1 3.96Å; F48-F82 HydrophobicContact CE1-CD1 4.05Å; F48-E83 HydrophobicContact CD1-CG 3.83Å; F48-E83 HydrophobicContact CE1-CG 3.74Å; F48-E83 WeakPolarHBondContact CE1-OE1 3.33Å; F48-I99 HydrophobicContact CB-CG2 4.16Å; F48-I99 HydrophobicContact CD1-CG2 4.11Å; F48-I99 HydrophobicContact CD2-CG2 3.22Å; F48-I99 HydrophobicContact CE1-CG2 4.34Å; F48-I99 HydrophobicContact CE2-CG2 3.51Å; F48-I99 HydrophobicContact CG-CG2 3.54Å; F48-I99 HydrophobicContact CZ-CG2 4.06Å; F48-W102 HydrophobicContact CD2-CE3 4.32Å; F48-W102 HydrophobicContact CD2-CZ3 4.12Å; F48-W102 AromaticContact CE2-CE3 3.82Å; F48-W102 HydrophobicContact CE2-CE3 3.82Å; F48-W102 AromaticContact CE2-CZ3 3.62Å; F48-W102 HydrophobicContact CE2-CZ3 3.62Å; F48-I103 HydrophobicContact CB-CD1 4.08Å; F48-I103 HydrophobicContact CD2-CD1 3.99Å; F48-I103 HydrophobicContact CD2-CG1 4.14Å
49	R	98.1	Very high	95.4	Very high	109 Å²	109	51.7 Å²	51.7	41%	0.411	28%	0.279	S	S	.	.	H	α-helix	trans	-59.7	-43.6	177.3	-179.6	176.8	175	164.8	-0.3	111.7	A45 A46 H47 I53 E83	A45-R49 WeakPolarHBondContact O-CB 3.28Å; A45-R49 PolarHBondContact O-N 3.38Å; A46-R49 PolarHBondContact O-N 3.39Å; H47-R49 PolarHBondContact O-N 2.99Å; R49-I53 HydrophobicContact CG-CD1 4.01Å; R49-I53 VanDerWaalsContact O-CG1 3.31Å; R49-I53 WeakPolarHBondContact O-CG1 3.46Å; R49-I53 PolarHBondContact O-N 3.47Å; R49-I53 VanDerWaalsContact O-N 3.15Å; R49-E83 HydrophobicContact CB-CG 4.2Å
50	Q	97.5	Very high	95.9	Very high	136 Å²	136	51.3 Å²	51.3	64%	0.636	28%	0.277	S	S	*	.	H	α-helix	trans	-62.6	-51.3	178.1	-176	-179.4	7.1	0	0	111.3	A46 H47 F48 R52 I53 A54	A46-Q50 PolarHBondContact O-N 3.22Å; H47-Q50 PolarHBondContact O-N 3.4Å; F48-Q50 VanDerWaalsContact C-N 3.33Å; F48-Q50 PolarHBondContact O-N 2.84Å; Q50-R52 VanDerWaalsContact C-N 3.34Å; Q50-R52 PolarHBondContact O-N 3.42Å; Q50-I53 PolarHBondContact O-N 3.43Å; Q50-A54 WeakPolarHBondContact O-CB 3.37Å; Q50-A54 PolarHBondContact O-N 3.1Å
51	K	96.6	Very high	96.1	Very high	60 Å²	60	51.3 Å²	51.3	26%	0.261	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-44.3	178.6	-70.4	-63.3	-171.5	175	0	112	H47 F48 I53 A54 L55 I103 E107	H47-K51 WeakPolarHBondContact NE2-CE 3.49Å; H47-K51 WeakPolarHBondContact O-CG 3.48Å; H47-K51 PolarHBondContact O-N 3.29Å; F48-K51 PolarHBondContact O-N 2.9Å; K51-I53 PolarHBondContact O-N 3.42Å; K51-A54 PolarHBondContact O-N 3.37Å; K51-L55 WeakPolarHBondContact O-CB 3.28Å; K51-L55 VanDerWaalsContact O-CG 3.28Å; K51-L55 WeakPolarHBondContact O-CG 3.41Å; K51-L55 PolarHBondContact O-N 2.89Å; K51-I103 HydrophobicContact CB-CG2 4.2Å; K51-I103 HydrophobicContact CG-CG2 3.99Å; K51-E107 WeakPolarHBondContact CD-OE1 3.29Å; K51-E107 WeakPolarHBondContact CE-OE1 3.39Å; K51-E107 IonicContact NZ-OE1 3.67Å; K51-E107 PolarHBondContact NZ-OE1 3.36Å
52	R	97.5	Very high	96.3	Very high	27 Å²	27	51.3 Å²	51.3	10%	0.102	27%	0.274	C	S	.	.	H	α-helix	trans	-56.8	-48.2	177.1	-171	-153	73.4	-161.1	-3.4	112.1	F48 Q50 G56 Y57 V62 E83 W102	F48-R52 HydrophobicContact CE2-CB 4.48Å; F48-R52 VanDerWaalsContact O-CB 3.28Å; F48-R52 WeakPolarHBondContact O-CB 3.36Å; F48-R52 PolarHBondContact O-N 2.89Å; Q50-R52 VanDerWaalsContact C-N 3.34Å; Q50-R52 PolarHBondContact O-N 3.42Å; R52-G56 PolarHBondContact O-N 3.4Å; R52-Y57 WeakPolarHBondContact CD-O 3.39Å; R52-Y57 WeakPolarHBondContact CG-O 3.28Å; R52-Y57 PolarHBondContact NE-O 3.27Å; R52-Y57 PolarHBondContact O-N 2.99Å; R52-V62 HydrophobicContact CG-CG2 3.53Å; R52-E83 IonicContact CZ-OE1 3.7Å; R52-E83 IonicContact CZ-OE2 2.79Å; R52-E83 IonicContact NE-OE1 2.83Å; R52-E83 IonicContact NH1-OE1 3.19Å; R52-E83 PolarHBondContact NH1-OE1 3.49Å; R52-E83 IonicContact NH1-OE2 2.75Å; R52-E83 PolarHBondContact NH1-OE2 3.09Å; R52-W102 HydrophobicContact CB-CH2 4.48Å; R52-W102 HydrophobicContact CG-CH2 4.27Å
53	I	96.8	Very high	96.4	Very high	97 Å²	97	49.4 Å²	49.4	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-66.5	-44.1	179.3	-66.2	168.1	0	0	0	110.5	R49 Q50 K51 L55 G56	R49-I53 HydrophobicContact CG-CD1 4.01Å; R49-I53 VanDerWaalsContact O-CG1 3.31Å; R49-I53 WeakPolarHBondContact O-CG1 3.46Å; R49-I53 PolarHBondContact O-N 3.47Å; R49-I53 VanDerWaalsContact O-N 3.15Å; Q50-I53 PolarHBondContact O-N 3.43Å; K51-I53 PolarHBondContact O-N 3.42Å; I53-L55 VanDerWaalsContact C-N 3.32Å; I53-L55 PolarHBondContact O-N 3.04Å; I53-G56 PolarHBondContact O-N 2.97Å
54	A	95.7	Very high	96.4	Very high	84 Å²	84	47.5 Å²	47.5	69%	0.694	26%	0.259	S	S	*	.	H	α-helix	trans	-61.7	-38.8	179.4	0	0	0	0	0	112.6	Q50 K51 G56	Q50-A54 WeakPolarHBondContact O-CB 3.37Å; Q50-A54 PolarHBondContact O-N 3.1Å; K51-A54 PolarHBondContact O-N 3.37Å; A54-G56 PolarHBondContact O-N 2.9Å
55	L	94.5	Very high	96.3	Very high	35 Å²	35	47.1 Å²	47.1	18%	0.183	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-0.3	175.9	-66	165.8	0	0	0	113.2	K51 I53 Y57 T106 E107 A110 I116	K51-L55 WeakPolarHBondContact O-CB 3.28Å; K51-L55 VanDerWaalsContact O-CG 3.28Å; K51-L55 WeakPolarHBondContact O-CG 3.41Å; K51-L55 PolarHBondContact O-N 2.89Å; I53-L55 VanDerWaalsContact C-N 3.32Å; I53-L55 PolarHBondContact O-N 3.04Å; L55-Y57 HydrophobicContact CB-CD2 3.72Å; L55-Y57 HydrophobicContact CB-CE2 4.13Å; L55-Y57 WeakPolarHBondContact O-CD2 3.4Å; L55-Y57 PolarHBondContact O-N 3.24Å; L55-T106 HydrophobicContact CD1-CG2 3.81Å; L55-E107 HydrophobicContact CD1-CG 4.09Å; L55-E107 HydrophobicContact CD2-CG 4.43Å; L55-A110 HydrophobicContact CD2-CB 3.89Å; L55-I116 VanDerWaalsContact O-CD1 3.22Å; L55-I116 WeakPolarHBondContact O-CD1 3.35Å
56	G	95.3	Very high	96.2	Very high	44 Å²	44	47 Å²	47	45%	0.454	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	14.4	177.1	0	0	0	0	0	115.9	R52 I53 A54 I116	R52-G56 PolarHBondContact O-N 3.4Å; I53-G56 PolarHBondContact O-N 2.97Å; A54-G56 PolarHBondContact O-N 2.9Å; G56-I116 VanDerWaalsContact C-CD1 3.5Å; G56-I116 VanDerWaalsContact O-CD1 3.3Å; G56-I116 WeakPolarHBondContact O-CD1 3.24Å
57	Y	96.3	Very high	96	Very high	17 Å²	17	44.8 Å²	44.8	7%	0.067	24%	0.238	C	C	.	.			trans	-84.8	133.4	-177.7	-79.3	-94.4	0	0	0	113	R52 L55 Q61 T65 W102 T106 I116 E119	R52-Y57 WeakPolarHBondContact CD-O 3.39Å; R52-Y57 WeakPolarHBondContact CG-O 3.28Å; R52-Y57 PolarHBondContact NE-O 3.27Å; R52-Y57 PolarHBondContact O-N 2.99Å; L55-Y57 HydrophobicContact CB-CD2 3.72Å; L55-Y57 HydrophobicContact CB-CE2 4.13Å; L55-Y57 WeakPolarHBondContact O-CD2 3.4Å; L55-Y57 PolarHBondContact O-N 3.24Å; Y57-Q61 HydrophobicContact CD1-CB 3.88Å; Y57-T65 HydrophobicContact CE1-CG2 3.91Å; Y57-W102 AromaticContact CD1-CZ2 3.98Å; Y57-W102 HydrophobicContact CD1-CZ2 3.98Å; Y57-W102 HydrophobicContact CD2-CH2 4.29Å; Y57-W102 HydrophobicContact CD2-CZ2 4.16Å; Y57-W102 HydrophobicContact CE1-CZ2 4.37Å; Y57-W102 HydrophobicContact CG-CH2 4.14Å; Y57-W102 AromaticContact CG-CZ2 3.87Å; Y57-W102 HydrophobicContact CG-CZ2 3.87Å; Y57-T106 HydrophobicContact CD2-CG2 4.17Å; Y57-T106 HydrophobicContact CE2-CG2 3.38Å; Y57-I116 HydrophobicContact CD2-CD1 4.37Å; Y57-I116 HydrophobicContact CE1-CG2 4.46Å; Y57-I116 HydrophobicContact CE2-CD1 4.35Å; Y57-I116 HydrophobicContact CE2-CG1 4.01Å; Y57-E119 PolarHBondContact OH-OE2 3.07Å
58	T	97.3	Very high	95.7	Very high	73 Å²	73	46 Å²	46	45%	0.448	24%	0.24	S	C	.	.			trans	-78	155.3	165.4	67.3	0	0	0	0	110.8	Q60 Q61 V62	T58-Q60 PolarHBondContact O-N 3.37Å; T58-Q60 VanDerWaalsContact O-N 3.17Å; T58-Q61 PolarHBondContact O-N 3.34Å; T58-Q61 VanDerWaalsContact O-N 3.14Å; T58-Q61 WeakPolarHBondContact OG1-CB 3.35Å; T58-Q61 VanDerWaalsContact OG1-CD 3.24Å; T58-Q61 VanDerWaalsContact OG1-CG 3.24Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.48Å; T58-Q61 PolarHBondContact OG1-N 3.18Å; T58-Q61 PolarHBondContact OG1-OE1 3Å; T58-V62 WeakPolarHBondContact O-CG2 3.23Å; T58-V62 PolarHBondContact O-N 2.84Å
59	Q	97.3	Very high	95.4	Very high	43 Å²	43	49.4 Å²	49.4	20%	0.201	25%	0.253	C	S	.	.	H	α-helix	trans	-56.7	-32.5	176.4	-71.2	175.4	-21.4	0	0	113.3	G63 Q76 I79 E83	Q59-G63 PolarHBondContact O-N 3.47Å; Q59-Q76 HydrophobicContact CB-CB 4.35Å; Q59-Q76 HydrophobicContact CB-CG 3.74Å; Q59-I79 HydrophobicContact CB-CB 4.19Å; Q59-I79 HydrophobicContact CB-CG2 4.1Å; Q59-I79 HydrophobicContact CG-CB 4.41Å; Q59-I79 HydrophobicContact CG-CG2 3.95Å; Q59-I79 WeakPolarHBondContact O-CG1 3.5Å; Q59-E83 PolarHBondContact NE2-OE2 2.88Å
60	Q	95.7	Very high	95.2	Very high	84 Å²	84	47.1 Å²	47.1	39%	0.393	25%	0.245	S	C	.	.	H	α-helix	trans	-69.9	-49.6	176.7	-175.1	53.5	45.1	0	0	110.6	T58 V62 G63 D64 Q76	T58-Q60 PolarHBondContact O-N 3.37Å; T58-Q60 VanDerWaalsContact O-N 3.17Å; Q60-V62 VanDerWaalsContact C-N 3.29Å; Q60-V62 PolarHBondContact O-N 3.16Å; Q60-G63 WeakPolarHBondContact O-CA 3.37Å; Q60-G63 PolarHBondContact O-N 3.03Å; Q60-D64 VanDerWaalsContact NE2-CG 3.26Å; Q60-D64 PolarHBondContact NE2-OD1 2.53Å; Q60-D64 PolarHBondContact NE2-OD2 3.18Å; Q60-D64 PolarHBondContact O-N 3.19Å; Q60-Q76 HydrophobicContact CB-CB 4.38Å
61	Q	95.1	Very high	94.9	Very high	32 Å²	32	43.8 Å²	43.8	15%	0.15	23%	0.232	C	C	.	.	H	α-helix	trans	-59.2	-37	177.3	-71.3	161.2	-38.7	0	0	112.7	Y57 T58 D64 T65	Y57-Q61 HydrophobicContact CD1-CB 3.88Å; T58-Q61 PolarHBondContact O-N 3.34Å; T58-Q61 VanDerWaalsContact O-N 3.14Å; T58-Q61 WeakPolarHBondContact OG1-CB 3.35Å; T58-Q61 VanDerWaalsContact OG1-CD 3.24Å; T58-Q61 VanDerWaalsContact OG1-CG 3.24Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.48Å; T58-Q61 PolarHBondContact OG1-N 3.18Å; T58-Q61 PolarHBondContact OG1-OE1 3Å; Q61-D64 PolarHBondContact O-N 2.86Å; Q61-T65 WeakPolarHBondContact O-CB 3.28Å; Q61-T65 VanDerWaalsContact O-CG2 3.31Å; Q61-T65 WeakPolarHBondContact O-CG2 3.43Å; Q61-T65 PolarHBondContact O-N 3.24Å; Q61-T65 PolarHBondContact O-OG1 2.98Å
62	V	96.7	Very high	94.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-47.4	173.1	-179.3	0	0	0	0	111	F48 R52 T58 Q60 D64 T65 L66 I79 W102	F48-V62 HydrophobicContact CE2-CG1 4.18Å; F48-V62 HydrophobicContact CZ-CG1 3.97Å; R52-V62 HydrophobicContact CG-CG2 3.53Å; T58-V62 WeakPolarHBondContact O-CG2 3.23Å; T58-V62 PolarHBondContact O-N 2.84Å; Q60-V62 VanDerWaalsContact C-N 3.29Å; Q60-V62 PolarHBondContact O-N 3.16Å; V62-D64 PolarHBondContact O-N 3.38Å; V62-T65 WeakPolarHBondContact CA-OG1 3.48Å; V62-T65 PolarHBondContact O-N 3.43Å; V62-T65 PolarHBondContact O-OG1 3.43Å; V62-L66 HydrophobicContact CG1-CD1 3.85Å; V62-L66 HydrophobicContact CG1-CG 4.26Å; V62-L66 WeakPolarHBondContact O-CB 3.34Å; V62-L66 VanDerWaalsContact O-CG 3.24Å; V62-L66 WeakPolarHBondContact O-CG 3.44Å; V62-L66 PolarHBondContact O-N 3.41Å; V62-I79 HydrophobicContact CB-CG1 4.47Å; V62-I79 HydrophobicContact CG1-CD1 4.1Å; V62-W102 HydrophobicContact CB-CZ2 4.28Å; V62-W102 HydrophobicContact CG1-CD2 4.19Å; V62-W102 HydrophobicContact CG1-CE3 4.39Å; V62-W102 HydrophobicContact CG1-CH2 4.3Å; V62-W102 HydrophobicContact CG1-CZ2 4.06Å; V62-W102 HydrophobicContact CG1-CZ3 4.45Å; V62-W102 HydrophobicContact CG2-CH2 3.71Å; V62-W102 HydrophobicContact CG2-CZ2 3.72Å; V62-W102 HydrophobicContact CG2-CZ3 4.43Å
63	G	95.7	Very high	94.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-36	179.2	0	0	0	0	0	113.2	Q59 Q60 G67 F74	Q59-G63 PolarHBondContact O-N 3.47Å; Q60-G63 WeakPolarHBondContact O-CA 3.37Å; Q60-G63 PolarHBondContact O-N 3.03Å; G63-G67 PolarHBondContact O-N 3.24Å; G63-F74 WeakPolarHBondContact CA-O 3.33Å; G63-F74 PolarHBondContact O-N 2.98Å
64	D	93.3	Very high	94.4	Very high	48 Å²	48	40.4 Å²	40.4	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-78.3	-42.5	-180	-62.7	-31.9	0	0	0	112.3	Q60 Q61 V62 G67 R68	Q60-D64 VanDerWaalsContact NE2-CG 3.26Å; Q60-D64 PolarHBondContact NE2-OD1 2.53Å; Q60-D64 PolarHBondContact NE2-OD2 3.18Å; Q60-D64 PolarHBondContact O-N 3.19Å; Q61-D64 PolarHBondContact O-N 2.86Å; V62-D64 PolarHBondContact O-N 3.38Å; D64-G67 CarbonylContact O-C 3.53Å; D64-G67 VanDerWaalsContact O-CA 3.29Å; D64-G67 WeakPolarHBondContact O-CA 3.44Å; D64-G67 PolarHBondContact O-N 3.33Å; D64-R68 PolarHBondContact O-N 3.21Å
65	T	94	Very high	94.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-41.3	175.1	49.4	0	0	0	0	112.4	Y57 Q61 V62 G67 R68 R69 W102	Y57-T65 HydrophobicContact CE1-CG2 3.91Å; Q61-T65 WeakPolarHBondContact O-CB 3.28Å; Q61-T65 VanDerWaalsContact O-CG2 3.31Å; Q61-T65 WeakPolarHBondContact O-CG2 3.43Å; Q61-T65 PolarHBondContact O-N 3.24Å; Q61-T65 PolarHBondContact O-OG1 2.98Å; V62-T65 WeakPolarHBondContact CA-OG1 3.48Å; V62-T65 PolarHBondContact O-N 3.43Å; V62-T65 PolarHBondContact O-OG1 3.43Å; T65-G67 PolarHBondContact O-N 3.16Å; T65-R68 VanDerWaalsContact CG2-NH2 3.33Å; T65-R68 PolarHBondContact O-N 2.66Å; T65-R68 VanDerWaalsContact O-N 3.16Å; T65-R69 PolarHBondContact O-N 2.99Å; T65-W102 PolarHBondContact OG1-NE1 3.41Å
66	L	95.1	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.6	-37.6	169.9	-76.1	173	0	0	0	111.9	V62 Y70 S72 F74 I79 L98 W102	V62-L66 HydrophobicContact CG1-CD1 3.85Å; V62-L66 HydrophobicContact CG1-CG 4.26Å; V62-L66 WeakPolarHBondContact O-CB 3.34Å; V62-L66 VanDerWaalsContact O-CG 3.24Å; V62-L66 WeakPolarHBondContact O-CG 3.44Å; V62-L66 PolarHBondContact O-N 3.41Å; L66-Y70 HydrophobicContact CD2-CD2 3.68Å; L66-Y70 HydrophobicContact CD2-CE2 3.78Å; L66-Y70 PolarHBondContact O-N 3.27Å; L66-Y70 VanDerWaalsContact O-N 3.09Å; L66-S72 CarbonylContact C-O 3.52Å; L66-S72 PolarHBondContact O-N 3.09Å; L66-F74 HydrophobicContact CB-CD2 4.36Å; L66-F74 HydrophobicContact CD1-CD2 3.78Å; L66-F74 HydrophobicContact CD1-CE2 4.25Å; L66-I79 HydrophobicContact CD1-CD1 4.15Å; L66-L98 HydrophobicContact CD2-CD1 4.31Å; L66-L98 HydrophobicContact CD2-CG 4.01Å; L66-W102 HydrophobicContact CD2-CB 3.56Å; L66-W102 HydrophobicContact CD2-CG 3.78Å; L66-W102 HydrophobicContact CG-CB 4.49Å; L66-W102 HydrophobicContact CG-CG 4.23Å
67	G	92.6	Very high	94.5	Very high	1 Å²	1	41 Å²	41	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-49.3	172.5	0	0	0	0	0	112.9	G63 D64 T65 N71 S72	G63-G67 PolarHBondContact O-N 3.24Å; D64-G67 CarbonylContact O-C 3.53Å; D64-G67 VanDerWaalsContact O-CA 3.29Å; D64-G67 WeakPolarHBondContact O-CA 3.44Å; D64-G67 PolarHBondContact O-N 3.33Å; T65-G67 PolarHBondContact O-N 3.16Å; G67-N71 WeakPolarHBondContact O-CA 3.35Å; G67-N71 PolarHBondContact O-N 3.08Å; G67-S72 PolarHBondContact N-O 3.46Å
68	R	90.8	Very high	94.5	Very high	74 Å²	74	41.6 Å²	41.6	28%	0.279	21%	0.208	S	C	.	.	H	α-helix	trans	-68	-47.2	-179.7	-70.9	-170.7	-70.7	-87.1	12.3	113.3	D64 T65 D123	D64-R68 PolarHBondContact O-N 3.21Å; T65-R68 VanDerWaalsContact CG2-NH2 3.33Å; T65-R68 PolarHBondContact O-N 2.66Å; T65-R68 VanDerWaalsContact O-N 3.16Å; R68-D123 WeakPolarHBondContact CD-OD1 3.28Å; R68-D123 IonicContact CZ-OD1 2.88Å; R68-D123 IonicContact CZ-OD2 2.59Å; R68-D123 IonicContact NE-OD1 3.27Å; R68-D123 IonicContact NE-OD2 2.69Å; R68-D123 IonicContact NH1-OD1 3.81Å; R68-D123 PolarHBondContact NH1-OD1 2.79Å; R68-D123 IonicContact NH1-OD2 3.74Å; R68-D123 PolarHBondContact NH1-OD2 2.88Å; R68-D123 IonicContact NH2-OD2 3.45Å; R68-D123 PolarHBondContact NH2-OD2 3.44Å
69	R	91.5	Very high	94.5	Very high	73 Å²	73	38.3 Å²	38.3	28%	0.275	19%	0.187	S	C	.	.	H	α-helix	trans	-77.6	-38.3	-173.2	-65.1	-171.8	-176.3	-172.5	3.7	113.3	T65 D105 E119	T65-R69 PolarHBondContact O-N 2.99Å; R69-D105 VanDerWaalsContact NH1-CB 3.27Å; R69-E119 IonicContact CZ-OE1 2.62Å; R69-E119 IonicContact NE-OE1 2.66Å; R69-E119 PolarHBondContact NE-OE1 3.14Å; R69-E119 IonicContact NH2-OE1 3.57Å; R69-E119 PolarHBondContact NH2-OE1 3.27Å; R69-E119 IonicContact NH2-OE2 3.46Å; R69-E119 PolarHBondContact NH2-OE2 3.13Å
70	Y	93.6	Very high	94.5	Very high	61 Å²	61	37.4 Å²	37.4	24%	0.239	19%	0.186	C	C	.	.	H	α-helix	trans	-123.7	9.6	-171.9	-44.6	-66.5	0	0	0	113.4	L66 S72 L98 Q101 W102 D105	L66-Y70 HydrophobicContact CD2-CD2 3.68Å; L66-Y70 HydrophobicContact CD2-CE2 3.78Å; L66-Y70 PolarHBondContact O-N 3.27Å; L66-Y70 VanDerWaalsContact O-N 3.09Å; Y70-S72 PolarHBondContact O-N 2.83Å; Y70-L98 HydrophobicContact CD1-CD1 4.35Å; Y70-L98 HydrophobicContact CD2-CD1 3.46Å; Y70-L98 VanDerWaalsContact CD2-CD1 3.46Å; Y70-L98 HydrophobicContact CD2-CG 4.48Å; Y70-L98 HydrophobicContact CE2-CD1 4.25Å; Y70-L98 HydrophobicContact CG-CD1 3.51Å; Y70-Q101 HydrophobicContact CE1-CG 3.75Å; Y70-Q101 PolarHBondContact OH-O 3.42Å; Y70-W102 HydrophobicContact CE2-CB 3.97Å; Y70-W102 WeakPolarHBondContact OH-CA 3.49Å; Y70-W102 PolarHBondContact OH-N 3.38Å; Y70-D105 PolarHBondContact OH-OD2 2.9Å
71	N	91.5	Very high	94.6	Very high	66 Å²	66	39.3 Å²	39.3	35%	0.353	19%	0.189	S	C	.	.	S	Bend	trans	56.6	36.4	-179.1	-169.5	79.1	0	0	0	112.6	G67 R141	G67-N71 WeakPolarHBondContact O-CA 3.35Å; G67-N71 PolarHBondContact O-N 3.08Å; N71-R141 WeakPolarHBondContact ND2-CD 3.22Å; N71-R141 PolarHBondContact ND2-NH1 2.91Å; N71-R141 WeakPolarHBondContact OD1-CB 3.41Å; N71-R141 WeakPolarHBondContact OD1-CD 3.3Å
72	S	92.3	Very high	94.8	Very high	35 Å²	35	37.8 Å²	37.8	25%	0.245	18%	0.183	C	C	.	.			trans	-133.9	83.1	-179.1	-177.1	0	0	0	0	111.9	L66 G67 Y70 F74	L66-S72 CarbonylContact C-O 3.52Å; L66-S72 PolarHBondContact O-N 3.09Å; G67-S72 PolarHBondContact N-O 3.46Å; Y70-S72 PolarHBondContact O-N 2.83Å; S72-F74 VanDerWaalsContact O-CD2 3.29Å; S72-F74 WeakPolarHBondContact O-CD2 3.31Å; S72-F74 WeakPolarHBondContact O-CE2 3.41Å; S72-F74 WeakPolarHBondContact OG-CE2 3.43Å; S72-F74 WeakPolarHBondContact OG-CZ 3.49Å
73	Y	93.2	Very high	94.8	Very high	44 Å²	44	38.5 Å²	38.5	17%	0.173	19%	0.186	C	C	.	.			trans	-73.6	127.3	-179	-67.2	-94	0	0	0	112.5	R141	Y73-R141 VanDerWaalsContact CD2-O 3.28Å; Y73-R141 WeakPolarHBondContact CD2-O 3.21Å; Y73-R141 WeakPolarHBondContact CE2-O 3.18Å
74	F	94.7	Very high	94.8	Very high	33 Å²	33	42.5 Å²	42.5	15%	0.145	21%	0.207	C	C	.	.			trans	-117.8	150.1	173.8	-64.2	-67.7	0	0	0	111.5	G63 L66 S72 T78 I79 L95 L98	G63-F74 WeakPolarHBondContact CA-O 3.33Å; G63-F74 PolarHBondContact O-N 2.98Å; L66-F74 HydrophobicContact CB-CD2 4.36Å; L66-F74 HydrophobicContact CD1-CD2 3.78Å; L66-F74 HydrophobicContact CD1-CE2 4.25Å; S72-F74 VanDerWaalsContact O-CD2 3.29Å; S72-F74 WeakPolarHBondContact O-CD2 3.31Å; S72-F74 WeakPolarHBondContact O-CE2 3.41Å; S72-F74 WeakPolarHBondContact OG-CE2 3.43Å; S72-F74 WeakPolarHBondContact OG-CZ 3.49Å; F74-T78 HydrophobicContact CB-CG2 4.31Å; F74-T78 HydrophobicContact CD1-CG2 3.77Å; F74-T78 HydrophobicContact CE1-CG2 4.49Å; F74-T78 HydrophobicContact CG-CG2 4.26Å; F74-I79 HydrophobicContact CB-CD1 4.14Å; F74-L95 HydrophobicContact CE1-CD2 3.63Å; F74-L95 HydrophobicContact CE2-CD2 4.01Å; F74-L95 HydrophobicContact CZ-CD2 3.28Å; F74-L98 HydrophobicContact CE2-CD2 3.62Å; F74-L98 HydrophobicContact CZ-CD2 4.06Å
75	S	94.4	Very high	94.9	Very high	39 Å²	39	41.9 Å²	41.9	27%	0.273	20%	0.204	S	C	.	.			trans	-80.1	155.7	171.4	64.7	0	0	0	0	110.5	T77 T78 I79	S75-T77 PolarHBondContact O-N 3.21Å; S75-T77 VanDerWaalsContact O-N 3.11Å; S75-T78 WeakPolarHBondContact O-CA 3.4Å; S75-T78 WeakPolarHBondContact O-CB 3.44Å; S75-T78 PolarHBondContact O-N 2.96Å; S75-T78 PolarHBondContact OG-N 2.82Å; S75-T78 PolarHBondContact OG-OG1 3.33Å; S75-T78 VanDerWaalsContact OG-OG1 3.07Å; S75-I79 PolarHBondContact O-N 3.42Å
76	Q	96.2	Very high	95	Very high	72 Å²	72	45 Å²	45	34%	0.336	22%	0.22	S	C	.	.	H	α-helix	trans	-43.2	-45.9	166.6	173.1	-80.5	-25.3	0	0	112.2	Q59 Q60 T78 I79 S80	Q59-Q76 HydrophobicContact CB-CB 4.35Å; Q59-Q76 HydrophobicContact CB-CG 3.74Å; Q60-Q76 HydrophobicContact CB-CB 4.38Å; Q76-T78 PolarHBondContact O-N 3.16Å; Q76-I79 PolarHBondContact O-N 2.89Å; Q76-I79 VanDerWaalsContact O-N 3.14Å; Q76-S80 PolarHBondContact O-N 2.96Å
77	T	96.8	Very high	94.9	Very high	66 Å²	66	47 Å²	47	41%	0.405	23%	0.231	S	C	.	.	H	α-helix	trans	-60.5	-30.3	179.7	-44.9	0	0	0	0	113.2	S75 R81	S75-T77 PolarHBondContact O-N 3.21Å; S75-T77 VanDerWaalsContact O-N 3.11Å; T77-R81 WeakPolarHBondContact O-CB 3.42Å; T77-R81 WeakPolarHBondContact O-CG 3.34Å; T77-R81 PolarHBondContact O-N 3.42Å; T77-R81 VanDerWaalsContact O-N 3.07Å
78	T	97	Very high	94.9	Very high	29 Å²	29	49.9 Å²	49.9	18%	0.178	25%	0.251	C	S	.	.	H	α-helix	trans	-72.8	-43.9	177.6	-54	0	0	0	0	110.4	F74 S75 Q76 R81 F82 L95	F74-T78 HydrophobicContact CB-CG2 4.31Å; F74-T78 HydrophobicContact CD1-CG2 3.77Å; F74-T78 HydrophobicContact CE1-CG2 4.49Å; F74-T78 HydrophobicContact CG-CG2 4.26Å; S75-T78 WeakPolarHBondContact O-CA 3.4Å; S75-T78 WeakPolarHBondContact O-CB 3.44Å; S75-T78 PolarHBondContact O-N 2.96Å; S75-T78 PolarHBondContact OG-N 2.82Å; S75-T78 PolarHBondContact OG-OG1 3.33Å; S75-T78 VanDerWaalsContact OG-OG1 3.07Å; Q76-T78 PolarHBondContact O-N 3.16Å; T78-R81 PolarHBondContact O-N 3.47Å; T78-F82 PolarHBondContact O-N 3.39Å; T78-L95 HydrophobicContact CG2-CD1 4.42Å
79	I	97.5	Very high	95	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-47.7	176.4	-55.9	-54.9	0	0	0	110.5	F48 Q59 V62 L66 F74 S75 Q76 R81 F82 E83	F48-I79 HydrophobicContact CE1-CG2 3.89Å; F48-I79 HydrophobicContact CZ-CG2 3.88Å; Q59-I79 HydrophobicContact CB-CB 4.19Å; Q59-I79 HydrophobicContact CB-CG2 4.1Å; Q59-I79 HydrophobicContact CG-CB 4.41Å; Q59-I79 HydrophobicContact CG-CG2 3.95Å; Q59-I79 WeakPolarHBondContact O-CG1 3.5Å; V62-I79 HydrophobicContact CB-CG1 4.47Å; V62-I79 HydrophobicContact CG1-CD1 4.1Å; L66-I79 HydrophobicContact CD1-CD1 4.15Å; F74-I79 HydrophobicContact CB-CD1 4.14Å; S75-I79 PolarHBondContact O-N 3.42Å; Q76-I79 PolarHBondContact O-N 2.89Å; Q76-I79 VanDerWaalsContact O-N 3.14Å; I79-R81 PolarHBondContact O-N 3.03Å; I79-F82 WeakPolarHBondContact O-CB 3.39Å; I79-F82 PolarHBondContact O-N 3.21Å; I79-F82 VanDerWaalsContact O-N 3.11Å; I79-E83 WeakPolarHBondContact O-CG 3.31Å; I79-E83 PolarHBondContact O-N 3.43Å
80	S	97.9	Very high	95	Very high	25 Å²	25	55.3 Å²	55.3	18%	0.175	28%	0.276	C	S	.	.	H	α-helix	trans	-56.2	-48.5	174.1	157.5	0	0	0	0	112	Q76 F82 E83 D84	Q76-S80 PolarHBondContact O-N 2.96Å; S80-F82 PolarHBondContact O-N 3Å; S80-E83 PolarHBondContact O-N 3.07Å; S80-D84 WeakPolarHBondContact O-CB 3.4Å; S80-D84 VanDerWaalsContact O-CG 3.29Å; S80-D84 PolarHBondContact O-N 3.27Å; S80-D84 VanDerWaalsContact O-OD2 3.1Å; S80-D84 PolarHBondContact OG-OD2 3.16Å
81	R	97.9	Very high	95.1	Very high	123 Å²	123	56.3 Å²	56.3	46%	0.464	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-29.2	178.6	-74.4	177.2	-177.4	-160.2	-0.5	113.4	T77 T78 I79 L85 N86 L87	T77-R81 WeakPolarHBondContact O-CB 3.42Å; T77-R81 WeakPolarHBondContact O-CG 3.34Å; T77-R81 PolarHBondContact O-N 3.42Å; T77-R81 VanDerWaalsContact O-N 3.07Å; T78-R81 PolarHBondContact O-N 3.47Å; I79-R81 PolarHBondContact O-N 3.03Å; R81-L85 PolarHBondContact O-N 3.17Å; R81-N86 HydrophobicContact CB-CB 4.37Å; R81-N86 HydrophobicContact CG-CB 4.39Å; R81-N86 CarbonylContact O-C 3.59Å; R81-N86 WeakPolarHBondContact O-CA 3.24Å; R81-N86 PolarHBondContact O-N 3.4Å; R81-L87 HydrophobicContact CB-CD2 3.8Å; R81-L87 HydrophobicContact CB-CG 3.93Å
82	F	97.5	Very high	95.3	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-69.2	-48.8	174.3	-175.1	-88.6	0	0	0	110.7	F44 A45 F48 T78 I79 S80 D84 L85 L87 M92 L95 I99	F44-F82 AromaticContact CD1-CE1 3.85Å; F44-F82 HydrophobicContact CD1-CE1 3.85Å; F44-F82 AromaticContact CD1-CZ 3.65Å; F44-F82 HydrophobicContact CD1-CZ 3.65Å; F44-F82 AromaticContact CE1-CE1 3.74Å; F44-F82 HydrophobicContact CE1-CE1 3.74Å; F44-F82 AromaticContact CE1-CZ 3.56Å; F44-F82 HydrophobicContact CE1-CZ 3.56Å; A45-F82 HydrophobicContact CB-CE1 4.4Å; F48-F82 AromaticContact CD1-CD1 3.77Å; F48-F82 HydrophobicContact CD1-CD1 3.77Å; F48-F82 AromaticContact CD1-CE1 3.96Å; F48-F82 HydrophobicContact CD1-CE1 3.96Å; F48-F82 HydrophobicContact CE1-CD1 4.05Å; T78-F82 PolarHBondContact O-N 3.39Å; I79-F82 WeakPolarHBondContact O-CB 3.39Å; I79-F82 PolarHBondContact O-N 3.21Å; I79-F82 VanDerWaalsContact O-N 3.11Å; S80-F82 PolarHBondContact O-N 3Å; F82-D84 VanDerWaalsContact C-N 3.31Å; F82-D84 PolarHBondContact O-N 2.59Å; F82-L85 PolarHBondContact O-N 3.15Å; F82-L85 VanDerWaalsContact O-N 3.17Å; F82-L87 HydrophobicContact CB-CD1 4.08Å; F82-L87 HydrophobicContact CD2-CD1 4.19Å; F82-M92 HydrophobicContact CD2-CE 4.18Å; F82-M92 HydrophobicContact CD2-CG 4.48Å; F82-M92 HydrophobicContact CE2-CB 4.25Å; F82-M92 HydrophobicContact CE2-CE 4.12Å; F82-M92 HydrophobicContact CZ-CE 4.41Å; F82-M92 WeakPolarHBondContact O-CE 3.47Å; F82-L95 HydrophobicContact CD2-CB 3.91Å; F82-L95 HydrophobicContact CD2-CD1 3.9Å; F82-L95 HydrophobicContact CE2-CB 3.75Å; F82-I99 HydrophobicContact CD1-CD1 3.63Å; F82-I99 HydrophobicContact CD2-CD1 3.86Å; F82-I99 HydrophobicContact CE1-CD1 3.53Å; F82-I99 HydrophobicContact CE2-CD1 3.77Å; F82-I99 HydrophobicContact CG-CD1 3.8Å; F82-I99 HydrophobicContact CZ-CD1 3.61Å
83	E	97.5	Very high	95.4	Very high	15 Å²	15	53.6 Å²	53.6	7%	0.07	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-37.5	177.5	-69	171.9	-177.3	0	0	112.8	F48 R49 R52 Q59 I79 S80 L85	F48-E83 HydrophobicContact CD1-CG 3.83Å; F48-E83 HydrophobicContact CE1-CG 3.74Å; F48-E83 WeakPolarHBondContact CE1-OE1 3.33Å; R49-E83 HydrophobicContact CB-CG 4.2Å; R52-E83 IonicContact CZ-OE1 3.7Å; R52-E83 IonicContact CZ-OE2 2.79Å; R52-E83 IonicContact NE-OE1 2.83Å; R52-E83 IonicContact NH1-OE1 3.19Å; R52-E83 PolarHBondContact NH1-OE1 3.49Å; R52-E83 IonicContact NH1-OE2 2.75Å; R52-E83 PolarHBondContact NH1-OE2 3.09Å; Q59-E83 PolarHBondContact NE2-OE2 2.88Å; I79-E83 WeakPolarHBondContact O-CG 3.31Å; I79-E83 PolarHBondContact O-N 3.43Å; S80-E83 PolarHBondContact O-N 3.07Å; E83-L85 PolarHBondContact O-N 3.45Å
84	D	96	Very high	95.5	Very high	83 Å²	83	59.7 Å²	59.7	44%	0.444	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	8	-179.7	-61.5	-38.4	0	0	0	113.2	S80 F82 N86	S80-D84 WeakPolarHBondContact O-CB 3.4Å; S80-D84 VanDerWaalsContact O-CG 3.29Å; S80-D84 PolarHBondContact O-N 3.27Å; S80-D84 VanDerWaalsContact O-OD2 3.1Å; S80-D84 PolarHBondContact OG-OD2 3.16Å; F82-D84 VanDerWaalsContact C-N 3.31Å; F82-D84 PolarHBondContact O-N 2.59Å; D84-N86 HydrophobicContact CB-CB 4.44Å; D84-N86 PolarHBondContact O-N 2.99Å; D84-N86 VanDerWaalsContact O-N 3.07Å
85	L	94.8	Very high	95.6	Very high	36 Å²	36	59.2 Å²	59.2	19%	0.188	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	29.1	-177.3	-53.7	172	0	0	0	113.4	A6 E42 A45 R81 F82 E83 L87 M92	A6-L85 HydrophobicContact CB-CB 4.31Å; A6-L85 HydrophobicContact CB-CD1 4.42Å; E42-L85 HydrophobicContact CB-CD1 4.25Å; E42-L85 HydrophobicContact CG-CD1 3.69Å; A45-L85 HydrophobicContact CB-CD2 3.53Å; A45-L85 HydrophobicContact CB-CG 4.44Å; R81-L85 PolarHBondContact O-N 3.17Å; F82-L85 PolarHBondContact O-N 3.15Å; F82-L85 VanDerWaalsContact O-N 3.17Å; E83-L85 PolarHBondContact O-N 3.45Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 3.27Å; L85-M92 HydrophobicContact CB-SD 4.43Å; L85-M92 HydrophobicContact CD2-CE 3.25Å; L85-M92 HydrophobicContact CD2-SD 3.95Å; L85-M92 HydrophobicContact CG-CE 4.44Å
86	N	95.4	Very high	95.6	Very high	66 Å²	66	60.1 Å²	60.1	35%	0.353	30%	0.295	S	S	.	.			trans	-99.7	37.9	-176.2	-166.8	16.3	0	0	0	112	R3 R81 D84	R3-N86 PolarHBondContact NH2-OD1 3.34Å; R81-N86 HydrophobicContact CB-CB 4.37Å; R81-N86 HydrophobicContact CG-CB 4.39Å; R81-N86 CarbonylContact O-C 3.59Å; R81-N86 WeakPolarHBondContact O-CA 3.24Å; R81-N86 PolarHBondContact O-N 3.4Å; D84-N86 HydrophobicContact CB-CB 4.44Å; D84-N86 PolarHBondContact O-N 2.99Å; D84-N86 VanDerWaalsContact O-N 3.07Å
87	L	93.2	Very high	95.6	Very high	42 Å²	42	60.6 Å²	60.6	22%	0.22	30%	0.304	C	S	.	.	S	Bend	trans	-123.3	165.2	169.7	-63.6	177.6	0	0	0	108.9	R81 F82 L85 N91 M92 L95	R81-L87 HydrophobicContact CB-CD2 3.8Å; R81-L87 HydrophobicContact CB-CG 3.93Å; F82-L87 HydrophobicContact CB-CD1 4.08Å; F82-L87 HydrophobicContact CD2-CD1 4.19Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 3.27Å; L87-N91 HydrophobicContact CB-CB 4.25Å; L87-M92 HydrophobicContact CB-CG 3.65Å; L87-M92 HydrophobicContact CD1-CG 4.46Å; L87-L95 HydrophobicContact CD1-CD1 3.67Å
88	S	93.6	Very high	95.6	Very high	61 Å²	61	59.4 Å²	59.4	43%	0.427	30%	0.295	S	S	.	.			trans	-66.9	149.1	169.3	64.9	0	0	0	0	109.6	R90 N91 M92	S88-R90 PolarHBondContact O-N 3.13Å; S88-N91 WeakPolarHBondContact O-CA 3.34Å; S88-N91 WeakPolarHBondContact O-CB 3.48Å; S88-N91 PolarHBondContact O-N 3.41Å; S88-N91 WeakPolarHBondContact OG-CB 3.41Å; S88-N91 PolarHBondContact OG-N 2.92Å; S88-N91 PolarHBondContact OG-ND2 3.32Å; S88-N91 PolarHBondContact OG-OD1 3.45Å; S88-M92 WeakPolarHBondContact O-CG 3.41Å; S88-M92 PolarHBondContact O-N 3.42Å
89	V	92.6	Very high	95.6	Very high	47 Å²	47	58.2 Å²	58.2	29%	0.285	29%	0.287	S	S	.	.	H	α-helix	trans	-51.4	-44.8	176.1	178.5	0	0	0	0	110.6	L38 L41 N91 M92 S93	L38-V89 HydrophobicContact CD1-CG2 4Å; L41-V89 HydrophobicContact CD1-CG1 3.79Å; V89-N91 VanDerWaalsContact C-N 3.33Å; V89-N91 PolarHBondContact O-N 2.71Å; V89-M92 PolarHBondContact O-N 3.41Å; V89-M92 VanDerWaalsContact O-N 3.16Å; V89-S93 PolarHBondContact O-N 3.19Å; V89-S93 PolarHBondContact O-OG 3.07Å
90	R	92.5	Very high	95.6	Very high	215 Å²	215	62.4 Å²	62.4	81%	0.811	31%	0.307	S	S	*	.	H	α-helix	trans	-56.5	-42.7	175.3	-174.3	177.1	-176.9	171.5	2.3	113.3	S88 K94	S88-R90 PolarHBondContact O-N 3.13Å; R90-K94 WeakPolarHBondContact O-CB 3.41Å; R90-K94 PolarHBondContact O-N 3.07Å; R90-K94 VanDerWaalsContact O-N 3.13Å
91	N	94.4	Very high	95.6	Very high	82 Å²	82	65.8 Å²	65.8	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-70	-40.6	177.9	-74.5	-3	0	0	0	111.3	L87 S88 V89 K94 L95	L87-N91 HydrophobicContact CB-CB 4.25Å; S88-N91 WeakPolarHBondContact O-CA 3.34Å; S88-N91 WeakPolarHBondContact O-CB 3.48Å; S88-N91 PolarHBondContact O-N 3.41Å; S88-N91 WeakPolarHBondContact OG-CB 3.41Å; S88-N91 PolarHBondContact OG-N 2.92Å; S88-N91 PolarHBondContact OG-ND2 3.32Å; S88-N91 PolarHBondContact OG-OD1 3.45Å; V89-N91 VanDerWaalsContact C-N 3.33Å; V89-N91 PolarHBondContact O-N 2.71Å; N91-K94 PolarHBondContact O-N 2.92Å; N91-L95 WeakPolarHBondContact O-CG 3.46Å; N91-L95 PolarHBondContact O-N 3.33Å
92	M	96.1	Very high	95.5	Very high	6 Å²	6	59.9 Å²	59.9	3%	0.03	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-46.9	176	-65.5	-166.3	73.9	0	0	111.6	L41 A45 F82 L85 L87 S88 V89 K94 L95 R96	L41-M92 HydrophobicContact CD1-CB 4.01Å; L41-M92 HydrophobicContact CD2-CB 4.09Å; A45-M92 HydrophobicContact CB-CE 4.39Å; F82-M92 HydrophobicContact CD2-CE 4.18Å; F82-M92 HydrophobicContact CD2-CG 4.48Å; F82-M92 HydrophobicContact CE2-CB 4.25Å; F82-M92 HydrophobicContact CE2-CE 4.12Å; F82-M92 HydrophobicContact CZ-CE 4.41Å; F82-M92 WeakPolarHBondContact O-CE 3.47Å; L85-M92 HydrophobicContact CB-SD 4.43Å; L85-M92 HydrophobicContact CD2-CE 3.25Å; L85-M92 HydrophobicContact CD2-SD 3.95Å; L85-M92 HydrophobicContact CG-CE 4.44Å; L87-M92 HydrophobicContact CB-CG 3.65Å; L87-M92 HydrophobicContact CD1-CG 4.46Å; S88-M92 WeakPolarHBondContact O-CG 3.41Å; S88-M92 PolarHBondContact O-N 3.42Å; V89-M92 PolarHBondContact O-N 3.41Å; V89-M92 VanDerWaalsContact O-N 3.16Å; M92-K94 PolarHBondContact O-N 3.46Å; M92-L95 PolarHBondContact O-N 2.99Å; M92-L95 VanDerWaalsContact O-N 3.07Å; M92-R96 PolarHBondContact O-N 3.42Å
93	S	95.1	Very high	95.5	Very high	37 Å²	37	60.2 Å²	60.2	26%	0.259	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-33	175.9	-54.2	0	0	0	0	112.7	H37 V89 P97	H37-S93 PolarHBondContact NE2-OG 3.13Å; V89-S93 PolarHBondContact O-N 3.19Å; V89-S93 PolarHBondContact O-OG 3.07Å; S93-P97 VanDerWaalsContact O-CD 3.28Å; S93-P97 WeakPolarHBondContact O-CD 3.46Å
94	K	95	Very high	95.5	Very high	172 Å²	172	61.5 Å²	61.5	75%	0.748	31%	0.313	S	S	*	.	H	α-helix	trans	-71.2	-35.6	175	-175.6	175.8	179	177.6	0	112.7	R90 N91 M92	R90-K94 WeakPolarHBondContact O-CB 3.41Å; R90-K94 PolarHBondContact O-N 3.07Å; R90-K94 VanDerWaalsContact O-N 3.13Å; N91-K94 PolarHBondContact O-N 2.92Å; M92-K94 PolarHBondContact O-N 3.46Å
95	L	95.9	Very high	95.5	Very high	23 Å²	23	60 Å²	60	12%	0.12	31%	0.305	C	S	.	.	H	α-helix	trans	-81.3	-29	-178.7	-69.4	175.1	0	0	0	112.9	F74 T78 F82 L87 N91 M92 L98 I99	F74-L95 HydrophobicContact CE1-CD2 3.63Å; F74-L95 HydrophobicContact CE2-CD2 4.01Å; F74-L95 HydrophobicContact CZ-CD2 3.28Å; T78-L95 HydrophobicContact CG2-CD1 4.42Å; F82-L95 HydrophobicContact CD2-CB 3.91Å; F82-L95 HydrophobicContact CD2-CD1 3.9Å; F82-L95 HydrophobicContact CE2-CB 3.75Å; L87-L95 HydrophobicContact CD1-CD1 3.67Å; N91-L95 WeakPolarHBondContact O-CG 3.46Å; N91-L95 PolarHBondContact O-N 3.33Å; M92-L95 PolarHBondContact O-N 2.99Å; M92-L95 VanDerWaalsContact O-N 3.07Å; L95-L98 PolarHBondContact O-N 2.9Å; L95-I99 HydrophobicContact CB-CD1 4.15Å; L95-I99 PolarHBondContact O-N 2.82Å; L95-I99 VanDerWaalsContact O-N 3.09Å
96	R	96	Very high	95.5	Very high	59 Å²	59	58.4 Å²	58.4	22%	0.223	30%	0.297	C	S	.	.	H	α-helix	trans	-51.6	-54.3	-175.3	169.2	176.1	175.4	174.7	3.7	114	S40 L41 F44 M92 L98 I99 E100	S40-R96 PolarHBondContact OG-NH1 2.98Å; L41-R96 HydrophobicContact CD2-CB 4.32Å; F44-R96 HydrophobicContact CD1-CB 4.28Å; F44-R96 HydrophobicContact CD1-CG 3.91Å; F44-R96 HydrophobicContact CD2-CG 4.11Å; F44-R96 HydrophobicContact CE1-CB 4.11Å; F44-R96 HydrophobicContact CE1-CG 3.82Å; F44-R96 HydrophobicContact CE2-CG 4.02Å; F44-R96 HydrophobicContact CG-CG 4.05Å; F44-R96 HydrophobicContact CZ-CG 3.88Å; M92-R96 PolarHBondContact O-N 3.42Å; R96-L98 PolarHBondContact O-N 2.91Å; R96-I99 PolarHBondContact O-N 3.49Å; R96-I99 VanDerWaalsContact O-N 3.08Å; R96-E100 IonicContact NE-OE2 3.99Å; R96-E100 WeakPolarHBondContact O-CB 3.3Å; R96-E100 PolarHBondContact O-N 3.2Å
97	P	96.1	Very high	95.4	Very high	82 Å²	82	58.5 Å²	58.5	53%	0.532	30%	0.295	S	S	.	.	H	α-helix	trans	-59.6	-35.5	-175.7	-24	33.7	0	0	0	112.9	S93 Q101	S93-P97 VanDerWaalsContact O-CD 3.28Å; S93-P97 WeakPolarHBondContact O-CD 3.46Å; P97-Q101 PolarHBondContact O-N 2.81Å
98	L	96.3	Very high	95.5	Very high	40 Å²	40	59.5 Å²	59.5	21%	0.209	31%	0.305	C	S	.	.	H	α-helix	trans	-69.9	-40.5	178.8	-179.7	61.1	0	0	0	112	L66 Y70 F74 L95 R96 W102	L66-L98 HydrophobicContact CD2-CD1 4.31Å; L66-L98 HydrophobicContact CD2-CG 4.01Å; Y70-L98 HydrophobicContact CD1-CD1 4.35Å; Y70-L98 HydrophobicContact CD2-CD1 3.46Å; Y70-L98 VanDerWaalsContact CD2-CD1 3.46Å; Y70-L98 HydrophobicContact CD2-CG 4.48Å; Y70-L98 HydrophobicContact CE2-CD1 4.25Å; Y70-L98 HydrophobicContact CG-CD1 3.51Å; F74-L98 HydrophobicContact CE2-CD2 3.62Å; F74-L98 HydrophobicContact CZ-CD2 4.06Å; L95-L98 PolarHBondContact O-N 2.9Å; R96-L98 PolarHBondContact O-N 2.91Å; L98-W102 PolarHBondContact O-N 3Å; L98-W102 VanDerWaalsContact O-N 3.16Å
99	I	97.4	Very high	95.4	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-71.5	-35.7	176.6	-67	170.9	0	0	0	110.8	F44 F48 F82 L95 R96 W102 I103	F44-I99 HydrophobicContact CE1-CB 4.01Å; F44-I99 HydrophobicContact CE1-CG2 3.8Å; F44-I99 HydrophobicContact CZ-CB 3.98Å; F44-I99 HydrophobicContact CZ-CG2 3.76Å; F48-I99 HydrophobicContact CB-CG2 4.16Å; F48-I99 HydrophobicContact CD1-CG2 4.11Å; F48-I99 HydrophobicContact CD2-CG2 3.22Å; F48-I99 HydrophobicContact CE1-CG2 4.34Å; F48-I99 HydrophobicContact CE2-CG2 3.51Å; F48-I99 HydrophobicContact CG-CG2 3.54Å; F48-I99 HydrophobicContact CZ-CG2 4.06Å; F82-I99 HydrophobicContact CD1-CD1 3.63Å; F82-I99 HydrophobicContact CD2-CD1 3.86Å; F82-I99 HydrophobicContact CE1-CD1 3.53Å; F82-I99 HydrophobicContact CE2-CD1 3.77Å; F82-I99 HydrophobicContact CG-CD1 3.8Å; F82-I99 HydrophobicContact CZ-CD1 3.61Å; L95-I99 HydrophobicContact CB-CD1 4.15Å; L95-I99 PolarHBondContact O-N 2.82Å; L95-I99 VanDerWaalsContact O-N 3.09Å; R96-I99 PolarHBondContact O-N 3.49Å; R96-I99 VanDerWaalsContact O-N 3.08Å; I99-W102 WeakPolarHBondContact O-CB 3.41Å; I99-W102 PolarHBondContact O-N 3.26Å; I99-I103 HydrophobicContact CG2-CD1 4.34Å; I99-I103 WeakPolarHBondContact O-CG1 3.05Å; I99-I103 PolarHBondContact O-N 3.3Å
100	E	97.3	Very high	95.4	Very high	92 Å²	92	57.6 Å²	57.6	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-45.6	178.2	-169.4	159.4	-162.6	0	0	110.9	F44 R96 W102 I103 A104	F44-E100 HydrophobicContact CE2-CB 3.74Å; F44-E100 HydrophobicContact CE2-CG 4Å; F44-E100 HydrophobicContact CZ-CB 3.86Å; R96-E100 IonicContact NE-OE2 3.99Å; R96-E100 WeakPolarHBondContact O-CB 3.3Å; R96-E100 PolarHBondContact O-N 3.2Å; E100-W102 VanDerWaalsContact C-N 3.31Å; E100-W102 PolarHBondContact O-N 3.14Å; E100-I103 PolarHBondContact O-N 3.17Å; E100-A104 PolarHBondContact O-N 3.22Å; E100-A104 VanDerWaalsContact O-N 3.13Å
101	Q	96.7	Very high	95.3	Very high	95 Å²	95	51.6 Å²	51.6	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-60	-41.6	172.3	-169.4	64.4	53.2	0	0	112	Y70 P97 I103 A104 D105	Y70-Q101 HydrophobicContact CE1-CG 3.75Å; Y70-Q101 PolarHBondContact OH-O 3.42Å; P97-Q101 PolarHBondContact O-N 2.81Å; Q101-I103 PolarHBondContact O-N 2.78Å; Q101-A104 PolarHBondContact O-N 3.35Å; Q101-D105 PolarHBondContact NE2-OD1 2.91Å; Q101-D105 VanDerWaalsContact O-CG 3.31Å; Q101-D105 PolarHBondContact O-N 3.07Å
102	W	97.4	Very high	95.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-42	177.4	177.2	84.1	0	0	0	112.9	F48 R52 Y57 V62 T65 L66 Y70 L98 I99 E100 T106	F48-W102 HydrophobicContact CD2-CE3 4.32Å; F48-W102 HydrophobicContact CD2-CZ3 4.12Å; F48-W102 AromaticContact CE2-CE3 3.82Å; F48-W102 HydrophobicContact CE2-CE3 3.82Å; F48-W102 AromaticContact CE2-CZ3 3.62Å; F48-W102 HydrophobicContact CE2-CZ3 3.62Å; R52-W102 HydrophobicContact CB-CH2 4.48Å; R52-W102 HydrophobicContact CG-CH2 4.27Å; Y57-W102 AromaticContact CD1-CZ2 3.98Å; Y57-W102 HydrophobicContact CD1-CZ2 3.98Å; Y57-W102 HydrophobicContact CD2-CH2 4.29Å; Y57-W102 HydrophobicContact CD2-CZ2 4.16Å; Y57-W102 HydrophobicContact CE1-CZ2 4.37Å; Y57-W102 HydrophobicContact CG-CH2 4.14Å; Y57-W102 AromaticContact CG-CZ2 3.87Å; Y57-W102 HydrophobicContact CG-CZ2 3.87Å; V62-W102 HydrophobicContact CB-CZ2 4.28Å; V62-W102 HydrophobicContact CG1-CD2 4.19Å; V62-W102 HydrophobicContact CG1-CE3 4.39Å; V62-W102 HydrophobicContact CG1-CH2 4.3Å; V62-W102 HydrophobicContact CG1-CZ2 4.06Å; V62-W102 HydrophobicContact CG1-CZ3 4.45Å; V62-W102 HydrophobicContact CG2-CH2 3.71Å; V62-W102 HydrophobicContact CG2-CZ2 3.72Å; V62-W102 HydrophobicContact CG2-CZ3 4.43Å; T65-W102 PolarHBondContact OG1-NE1 3.41Å; L66-W102 HydrophobicContact CD2-CB 3.56Å; L66-W102 HydrophobicContact CD2-CG 3.78Å; L66-W102 HydrophobicContact CG-CB 4.49Å; L66-W102 HydrophobicContact CG-CG 4.23Å; Y70-W102 HydrophobicContact CE2-CB 3.97Å; Y70-W102 WeakPolarHBondContact OH-CA 3.49Å; Y70-W102 PolarHBondContact OH-N 3.38Å; L98-W102 PolarHBondContact O-N 3Å; L98-W102 VanDerWaalsContact O-N 3.16Å; I99-W102 WeakPolarHBondContact O-CB 3.41Å; I99-W102 PolarHBondContact O-N 3.26Å; E100-W102 VanDerWaalsContact C-N 3.31Å; E100-W102 PolarHBondContact O-N 3.14Å; W102-T106 HydrophobicContact CZ2-CG2 4.37Å; W102-T106 VanDerWaalsContact O-CB 3.23Å; W102-T106 WeakPolarHBondContact O-CB 3.42Å; W102-T106 PolarHBondContact O-N 3.11Å; W102-T106 PolarHBondContact O-OG1 2.99Å
103	I	97.2	Very high	94.8	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.036	34%	0.342	C	S	.	.	H	α-helix	trans	-59.5	-53.5	175.3	-65.3	167.6	0	0	0	109.2	F44 F48 K51 I99 E100 Q101 D105 T106 E107	F44-I103 HydrophobicContact CZ-CD1 4.42Å; F48-I103 HydrophobicContact CB-CD1 4.08Å; F48-I103 HydrophobicContact CD2-CD1 3.99Å; F48-I103 HydrophobicContact CD2-CG1 4.14Å; K51-I103 HydrophobicContact CB-CG2 4.2Å; K51-I103 HydrophobicContact CG-CG2 3.99Å; I99-I103 HydrophobicContact CG2-CD1 4.34Å; I99-I103 WeakPolarHBondContact O-CG1 3.05Å; I99-I103 PolarHBondContact O-N 3.3Å; E100-I103 PolarHBondContact O-N 3.17Å; Q101-I103 PolarHBondContact O-N 2.78Å; I103-D105 PolarHBondContact O-N 2.9Å; I103-T106 PolarHBondContact O-N 2.69Å; I103-E107 HydrophobicContact CG2-CG 4.23Å; I103-E107 WeakPolarHBondContact O-CB 3.41Å; I103-E107 WeakPolarHBondContact O-CG 3.04Å; I103-E107 PolarHBondContact O-N 3.17Å
104	A	96.6	Very high	94.2	Very high	43 Å²	43	59.7 Å²	59.7	36%	0.355	35%	0.348	S	S	.	.	H	α-helix	trans	-58	-45	-177.3	0	0	0	0	0	112.9	E100 Q101 S108	E100-A104 PolarHBondContact O-N 3.22Å; E100-A104 VanDerWaalsContact O-N 3.13Å; Q101-A104 PolarHBondContact O-N 3.35Å; A104-S108 VanDerWaalsContact O-CB 3.29Å; A104-S108 WeakPolarHBondContact O-CB 3.34Å; A104-S108 PolarHBondContact O-N 2.97Å; A104-S108 PolarHBondContact O-OG 3.36Å
105	D	95.4	Very high	93.2	Very high	52 Å²	52	54 Å²	54	28%	0.278	33%	0.33	S	S	.	.	H	α-helix	trans	-70.8	-35.9	-179.4	-66	-9.9	0	0	0	111.8	R69 Y70 Q101 I103 A109	R69-D105 VanDerWaalsContact NH1-CB 3.27Å; Y70-D105 PolarHBondContact OH-OD2 2.9Å; Q101-D105 PolarHBondContact NE2-OD1 2.91Å; Q101-D105 VanDerWaalsContact O-CG 3.31Å; Q101-D105 PolarHBondContact O-N 3.07Å; I103-D105 PolarHBondContact O-N 2.9Å; D105-A109 WeakPolarHBondContact O-CB 3.16Å; D105-A109 PolarHBondContact O-N 2.9Å
106	T	95	Very high	92.2	Very high	2 Å²	2	55 Å²	55	1%	0.012	34%	0.335	C	S	.	.	H	α-helix	trans	-73.9	-38.6	179.6	-52.2	0	0	0	0	111.4	L55 Y57 W102 I103 A109 A110	L55-T106 HydrophobicContact CD1-CG2 3.81Å; Y57-T106 HydrophobicContact CD2-CG2 4.17Å; Y57-T106 HydrophobicContact CE2-CG2 3.38Å; W102-T106 HydrophobicContact CZ2-CG2 4.37Å; W102-T106 VanDerWaalsContact O-CB 3.23Å; W102-T106 WeakPolarHBondContact O-CB 3.42Å; W102-T106 PolarHBondContact O-N 3.11Å; W102-T106 PolarHBondContact O-OG1 2.99Å; I103-T106 PolarHBondContact O-N 2.69Å; T106-A109 PolarHBondContact O-N 3.04Å; T106-A110 WeakPolarHBondContact O-CB 3.1Å; T106-A110 PolarHBondContact O-N 3.22Å
107	E	94.7	Very high	90.9	Very high	67 Å²	67	54.5 Å²	54.5	31%	0.313	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-42.6	171.7	-70.6	-170.1	126.1	0	0	111.7	K51 L55 I103 A109 A110 A111	K51-E107 WeakPolarHBondContact CD-OE1 3.29Å; K51-E107 WeakPolarHBondContact CE-OE1 3.39Å; K51-E107 IonicContact NZ-OE1 3.67Å; K51-E107 PolarHBondContact NZ-OE1 3.36Å; L55-E107 HydrophobicContact CD1-CG 4.09Å; L55-E107 HydrophobicContact CD2-CG 4.43Å; I103-E107 HydrophobicContact CG2-CG 4.23Å; I103-E107 WeakPolarHBondContact O-CB 3.41Å; I103-E107 WeakPolarHBondContact O-CG 3.04Å; I103-E107 PolarHBondContact O-N 3.17Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 3.29Å; E107-A110 PolarHBondContact O-N 2.79Å; E107-A111 WeakPolarHBondContact O-CB 3.36Å; E107-A111 PolarHBondContact O-N 3.19Å
108	S	94.2	Very high	89.6	Confident	63 Å²	63	55 Å²	55	44%	0.441	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-36.6	176.1	-62.1	0	0	0	0	112.3	A104 K112	A104-S108 VanDerWaalsContact O-CB 3.29Å; A104-S108 WeakPolarHBondContact O-CB 3.34Å; A104-S108 PolarHBondContact O-N 2.97Å; A104-S108 PolarHBondContact O-OG 3.36Å; S108-K112 WeakPolarHBondContact O-CG 3.34Å; S108-K112 PolarHBondContact O-N 3.24Å
109	A	92.2	Very high	88.3	Confident	23 Å²	23	55 Å²	55	19%	0.19	34%	0.341	C	S	.	.	H	α-helix	trans	-69.9	-43.8	174.6	0	0	0	0	0	111.6	D105 T106 E107 A111 K112 G113 A114	D105-A109 WeakPolarHBondContact O-CB 3.16Å; D105-A109 PolarHBondContact O-N 2.9Å; T106-A109 PolarHBondContact O-N 3.04Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 3.29Å; A109-A111 VanDerWaalsContact C-N 3.32Å; A109-A111 PolarHBondContact O-N 2.93Å; A109-K112 WeakPolarHBondContact O-CB 3.5Å; A109-K112 PolarHBondContact O-N 3.18Å; A109-K112 VanDerWaalsContact O-N 3.08Å; A109-G113 PolarHBondContact O-N 3.46Å; A109-A114 HydrophobicContact CB-CB 4.11Å; A109-A114 VanDerWaalsContact O-CB 3.28Å; A109-A114 WeakPolarHBondContact O-CB 3.29Å; A109-A114 PolarHBondContact O-N 3.18Å
110	A	91.5	Very high	86.8	Confident	46 Å²	46	58.6 Å²	58.6	38%	0.38	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-39.3	176.4	0	0	0	0	0	111.9	L55 T106 E107 K112 G113	L55-A110 HydrophobicContact CD2-CB 3.89Å; T106-A110 WeakPolarHBondContact O-CB 3.1Å; T106-A110 PolarHBondContact O-N 3.22Å; E107-A110 PolarHBondContact O-N 2.79Å; A110-K112 PolarHBondContact O-N 3.28Å; A110-G113 PolarHBondContact O-N 2.62Å
111	A	91.9	Very high	85.1	Confident	89 Å²	89	59.1 Å²	59.1	74%	0.736	36%	0.363	S	S	*	.	H	α-helix	trans	-64.5	-26	174.7	0	0	0	0	0	113.3	E107 A109 G113	E107-A111 WeakPolarHBondContact O-CB 3.36Å; E107-A111 PolarHBondContact O-N 3.19Å; A109-A111 VanDerWaalsContact C-N 3.32Å; A109-A111 PolarHBondContact O-N 2.93Å; A111-G113 VanDerWaalsContact C-N 3.26Å
112	K	91.5	Very high	83.5	Confident	183 Å²	183	60.7 Å²	60.7	80%	0.796	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	3.8	173.4	-68.4	171.4	-176.1	178.2	0	113.2	S108 A109 A110	S108-K112 WeakPolarHBondContact O-CG 3.34Å; S108-K112 PolarHBondContact O-N 3.24Å; A109-K112 WeakPolarHBondContact O-CB 3.5Å; A109-K112 PolarHBondContact O-N 3.18Å; A109-K112 VanDerWaalsContact O-N 3.08Å; A110-K112 PolarHBondContact O-N 3.28Å
113	G	87.1	Confident	81.6	Confident	64 Å²	64	62.1 Å²	62.1	66%	0.66	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	10.7	-179.6	0	0	0	0	0	114.9	A109 A110 A111 S115	A109-G113 PolarHBondContact O-N 3.46Å; A110-G113 PolarHBondContact O-N 2.62Å; A111-G113 VanDerWaalsContact C-N 3.26Å; G113-S115 PolarHBondContact O-N 2.99Å
114	A	82.7	Confident	79.7	Confident	47 Å²	47	66.6 Å²	66.6	39%	0.388	40%	0.402	S	S	.	.			trans	-68.1	129.5	175.1	0	0	0	0	0	110.3	A109	A109-A114 HydrophobicContact CB-CB 4.11Å; A109-A114 VanDerWaalsContact O-CB 3.28Å; A109-A114 WeakPolarHBondContact O-CB 3.29Å; A109-A114 PolarHBondContact O-N 3.18Å
115	S	75.3	Confident	77.8	Confident	52 Å²	52	71.8 Å²	71.8	36%	0.364	42%	0.419	S	S	.	.			trans	-95.8	156.6	176.7	79.5	0	0	0	0	111.4	G113 A117 D118	G113-S115 PolarHBondContact O-N 2.99Å; S115-A117 PolarHBondContact O-N 3.29Å; S115-A117 PolarHBondContact OG-N 2.86Å; S115-D118 WeakPolarHBondContact CB-OD2 3.47Å; S115-D118 PolarHBondContact N-OD2 3.08Å; S115-D118 PolarHBondContact O-N 3.02Å; S115-D118 VanDerWaalsContact O-N 3.13Å; S115-D118 VanDerWaalsContact OG-CG 3.31Å; S115-D118 PolarHBondContact OG-N 3.35Å; S115-D118 PolarHBondContact OG-OD2 3.02Å
116	I	74.3	Confident	76	Confident	45 Å²	45	73.2 Å²	73.2	23%	0.231	42%	0.424	C	S	.	.	H	α-helix	trans	-56.3	-33.6	173.8	-54.7	176.1	0	0	0	110.9	L55 G56 Y57 D118 E119 Q120	L55-I116 VanDerWaalsContact O-CD1 3.22Å; L55-I116 WeakPolarHBondContact O-CD1 3.35Å; G56-I116 VanDerWaalsContact C-CD1 3.5Å; G56-I116 VanDerWaalsContact O-CD1 3.3Å; G56-I116 WeakPolarHBondContact O-CD1 3.24Å; Y57-I116 HydrophobicContact CD2-CD1 4.37Å; Y57-I116 HydrophobicContact CE1-CG2 4.46Å; Y57-I116 HydrophobicContact CE2-CD1 4.35Å; Y57-I116 HydrophobicContact CE2-CG1 4.01Å; I116-D118 VanDerWaalsContact C-N 3.31Å; I116-D118 PolarHBondContact O-N 3.31Å; I116-E119 PolarHBondContact O-N 2.83Å; I116-Q120 HydrophobicContact CG2-CG 4.31Å; I116-Q120 WeakPolarHBondContact O-CG 3.47Å; I116-Q120 PolarHBondContact O-N 2.83Å
117	A	67.8	Low	74.2	Confident	49 Å²	49	77.2 Å²	77.2	41%	0.405	44%	0.443	S	S	.	.	H	α-helix	trans	-64.7	-34.1	-178.9	0	0	0	0	0	112.4	S115 E119 Q120 N121	S115-A117 PolarHBondContact O-N 3.29Å; S115-A117 PolarHBondContact OG-N 2.86Å; A117-E119 VanDerWaalsContact C-N 3.32Å; A117-E119 PolarHBondContact O-N 3.29Å; A117-Q120 PolarHBondContact O-N 3.11Å; A117-N121 PolarHBondContact O-N 3.19Å; A117-N121 VanDerWaalsContact O-N 3.08Å; A117-N121 PolarHBondContact O-ND2 3.37Å
118	D	68.9	Low	72.3	Confident	91 Å²	91	81.2 Å²	81.2	49%	0.487	46%	0.462	S	S	.	.	H	α-helix	trans	-65.4	-37.6	179.2	-59.7	-51.3	0	0	0	111.5	S115 I116	S115-D118 WeakPolarHBondContact CB-OD2 3.47Å; S115-D118 PolarHBondContact N-OD2 3.08Å; S115-D118 PolarHBondContact O-N 3.02Å; S115-D118 VanDerWaalsContact O-N 3.13Å; S115-D118 VanDerWaalsContact OG-CG 3.31Å; S115-D118 PolarHBondContact OG-N 3.35Å; S115-D118 PolarHBondContact OG-OD2 3.02Å; I116-D118 VanDerWaalsContact C-N 3.31Å; I116-D118 PolarHBondContact O-N 3.31Å
119	E	68.8	Low	70.3	Confident	40 Å²	40	85.7 Å²	85.7	19%	0.187	48%	0.475	C	S	.	.	H	α-helix	trans	-77.3	-25.8	176.8	-75.8	-168.4	98.8	0	0	113.3	Y57 R69 I116 A117	Y57-E119 PolarHBondContact OH-OE2 3.07Å; R69-E119 IonicContact CZ-OE1 2.62Å; R69-E119 IonicContact NE-OE1 2.66Å; R69-E119 PolarHBondContact NE-OE1 3.14Å; R69-E119 IonicContact NH2-OE1 3.57Å; R69-E119 PolarHBondContact NH2-OE1 3.27Å; R69-E119 IonicContact NH2-OE2 3.46Å; R69-E119 PolarHBondContact NH2-OE2 3.13Å; I116-E119 PolarHBondContact O-N 2.83Å; A117-E119 VanDerWaalsContact C-N 3.32Å; A117-E119 PolarHBondContact O-N 3.29Å
120	Q	67.5	Low	68.5	Low	80 Å²	80	87.2 Å²	87.2	37%	0.374	48%	0.479	S	S	.	.	H	α-helix	trans	-79.8	-34.4	178.4	-70.3	-172.7	-70.4	0	0	113	I116 A117 Q122 D123	I116-Q120 HydrophobicContact CG2-CG 4.31Å; I116-Q120 WeakPolarHBondContact O-CG 3.47Å; I116-Q120 PolarHBondContact O-N 2.83Å; A117-Q120 PolarHBondContact O-N 3.11Å; Q120-Q122 PolarHBondContact O-N 3.34Å; Q120-D123 WeakPolarHBondContact O-CB 3.22Å; Q120-D123 PolarHBondContact O-N 3.21Å
121	N	60.1	Low	66.7	Low	104 Å²	104	92.7 Å²	92.7	56%	0.556	50%	0.496	S	S	*	.	H	α-helix	trans	-64	-23.6	-179.5	-80.2	-51.2	0	0	0	113.5	A117 D123	A117-N121 PolarHBondContact O-N 3.19Å; A117-N121 VanDerWaalsContact O-N 3.08Å; A117-N121 PolarHBondContact O-ND2 3.37Å; N121-D123 VanDerWaalsContact C-N 3.31Å
122	Q	62.9	Low	64.7	Low	127 Å²	127	94.2 Å²	94.2	59%	0.593	50%	0.497	S	S	*	.	H	α-helix	trans	-71.6	-26.1	172.2	-66	-173.5	17.2	0	0	112.8	Q120 Q126	Q120-Q122 PolarHBondContact O-N 3.34Å; Q122-Q126 PolarHBondContact O-N 3.49Å
123	D	58.2	Low	62.5	Low	31 Å²	31	89.2 Å²	89.2	17%	0.166	49%	0.489	C	S	.	.	H	α-helix	trans	-75.3	-38.1	-175.9	-78.8	-35.3	0	0	0	112.4	R68 Q120 N121 Q125 Q126 Q127	R68-D123 WeakPolarHBondContact CD-OD1 3.28Å; R68-D123 IonicContact CZ-OD1 2.88Å; R68-D123 IonicContact CZ-OD2 2.59Å; R68-D123 IonicContact NE-OD1 3.27Å; R68-D123 IonicContact NE-OD2 2.69Å; R68-D123 IonicContact NH1-OD1 3.81Å; R68-D123 PolarHBondContact NH1-OD1 2.79Å; R68-D123 IonicContact NH1-OD2 3.74Å; R68-D123 PolarHBondContact NH1-OD2 2.88Å; R68-D123 IonicContact NH2-OD2 3.45Å; R68-D123 PolarHBondContact NH2-OD2 3.44Å; Q120-D123 WeakPolarHBondContact O-CB 3.22Å; Q120-D123 PolarHBondContact O-N 3.21Å; N121-D123 VanDerWaalsContact C-N 3.31Å; D123-Q125 PolarHBondContact O-N 3.45Å; D123-Q126 PolarHBondContact O-N 3.02Å; D123-Q127 WeakPolarHBondContact O-CB 3.37Å; D123-Q127 WeakPolarHBondContact O-CG 3.41Å; D123-Q127 PolarHBondContact O-N 3.47Å; D123-Q127 PolarHBondContact O-NE2 2.83Å
124	D	57.1	Low	60.4	Low	100 Å²	100	94.1 Å²	94.1	54%	0.535	50%	0.5	S	S	.	.	H	α-helix	trans	-69.9	-34.1	-175.4	-75.1	-30.7	0	0	0	112.4	Q128	D124-Q128 PolarHBondContact O-N 3.29Å
125	Q	56.2	Low	58.5	Low	152 Å²	152	94.7 Å²	94.7	71%	0.71	51%	0.511	S	S	*	.	H	α-helix	trans	-69.9	-39.4	174.3	-66.8	-170.9	27.4	0	0	112.2	D123	D123-Q125 PolarHBondContact O-N 3.45Å
126	Q	57.8	Low	56.9	Low	82 Å²	82	100.1 Å²	100.1	38%	0.383	54%	0.536	S	S	.	.	H	α-helix	trans	-76.1	-30	178.2	-70	-175.3	32.3	0	0	112.9	Q122 D123 Q130	Q122-Q126 PolarHBondContact O-N 3.49Å; D123-Q126 PolarHBondContact O-N 3.02Å; Q126-Q130 VanDerWaalsContact O-CG 3.31Å; Q126-Q130 WeakPolarHBondContact O-CG 3.28Å; Q126-Q130 PolarHBondContact O-N 3.26Å; Q126-Q130 PolarHBondContact O-NE2 3.43Å
127	Q	58	Low	55.2	Low	86 Å²	86	101.2 Å²	101.2	40%	0.402	56%	0.559	S	S	.	*	H	α-helix	trans	-72.6	-33.3	179	-79	-177.3	80.3	0	0	113	D123 Q131	D123-Q127 WeakPolarHBondContact O-CB 3.37Å; D123-Q127 WeakPolarHBondContact O-CG 3.41Å; D123-Q127 PolarHBondContact O-N 3.47Å; D123-Q127 PolarHBondContact O-NE2 2.83Å; Q127-Q131 PolarHBondContact O-NE2 3.37Å
128	Q	54.5	Low	54.1	Low	152 Å²	152	104.1 Å²	104.1	71%	0.71	58%	0.583	S	S	*	*	H	α-helix	trans	-73.6	-41.2	176	-81.7	-177.6	17.2	0	0	112.8	D124 Q130 Q131	D124-Q128 PolarHBondContact O-N 3.29Å; Q128-Q130 VanDerWaalsContact C-N 3.26Å; Q128-Q130 PolarHBondContact O-N 3.5Å; Q128-Q131 PolarHBondContact O-N 3.34Å
129	Q	53.1	Low	53.2	Low	156 Å²	156	104.9 Å²	104.9	73%	0.729	59%	0.591	S	S	*	*	H	α-helix	trans	-68.7	-22.6	179.1	-82	179.8	10.5	0	0	114	T132	Q129-T132 PolarHBondContact O-OG1 3.33Å
130	Q	53.6	Low	52.5	Low	56 Å²	56	107.2 Å²	107.2	26%	0.262	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-7.4	-176.9	-73.5	171.7	40.9	0	0	114.2	Q126 Q128 R142	Q126-Q130 VanDerWaalsContact O-CG 3.31Å; Q126-Q130 WeakPolarHBondContact O-CG 3.28Å; Q126-Q130 PolarHBondContact O-N 3.26Å; Q126-Q130 PolarHBondContact O-NE2 3.43Å; Q128-Q130 VanDerWaalsContact C-N 3.26Å; Q128-Q130 PolarHBondContact O-N 3.5Å; Q130-R142 VanDerWaalsContact OE1-CZ 3.27Å; Q130-R142 VanDerWaalsContact OE1-NE 3.14Å
131	Q	53.1	Low	52.1	Low	160 Å²	160	112.6 Å²	112.6	75%	0.748	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-15	178	-72.4	179.9	46.3	0	0	113.6	Q127 Q128	Q127-Q131 PolarHBondContact O-NE2 3.37Å; Q128-Q131 PolarHBondContact O-N 3.34Å
132	T	51.3	Low	52.5	Low	122 Å²	122	113.8 Å²	113.8	75%	0.748	62%	0.617	S	S	*	*	S	Bend	trans	-103.2	-11.1	-177.4	53.1	0	0	0	0	114.4	Q129 N134	Q129-T132 PolarHBondContact O-OG1 3.33Å; T132-N134 VanDerWaalsContact C-N 3.32Å; T132-N134 PolarHBondContact O-N 2.67Å
133	A	44.1	Very low	52.9	Low	77 Å²	77	114.5 Å²	114.5	64%	0.636	61%	0.614	S	S	*	*			trans	-83.6	75.9	177	0	0	0	0	0	111.4	G135	A133-G135 PolarHBondContact O-N 3.22Å
134	N	43.6	Very low	53.9	Low	167 Å²	167	121 Å²	121	89%	0.893	64%	0.636	S	S	*	*			trans	-65	114.8	168.7	-128.3	17.3	0	0	0	109.3	T132	T132-N134 VanDerWaalsContact C-N 3.32Å; T132-N134 PolarHBondContact O-N 2.67Å
135	G	42.8	Very low	55.1	Low	59 Å²	59	125.4 Å²	125.4	61%	0.608	65%	0.651	S	S	*	*	S	Bend	trans	74.3	93.6	160.9	0	0	0	0	0	116.1	A133	A133-G135 PolarHBondContact O-N 3.22Å
136	N	41	Very low	56.5	Low	166 Å²	166	128 Å²	128	89%	0.888	65%	0.654	S	S	*	*			trans	143.9	115.3	136.3	-70.2	-17	0	0	0	111.7
137	G	39.2	Very low	58	Low	69 Å²	69	127.3 Å²	127.3	71%	0.711	66%	0.655	S	S	*	*	S	Bend	trans	62.7	117.9	147.4	0	0	0	0	0	119.5
138	A	44	Very low	59.7	Low	110 Å²	110	129.1 Å²	129.1	91%	0.909	67%	0.672	S	S	*	*			trans	84.4	15.4	147	0	0	0	0	0	120.9
139	T	51.1	Low	61.5	Low	107 Å²	107	122.9 Å²	122.9	66%	0.656	64%	0.644	S	S	*	*	S	Bend	trans	-94.9	106.3	174.3	55.1	0	0	0	0	112
140	I	53.7	Low	63.4	Low	88 Å²	88	119.9 Å²	119.9	45%	0.451	63%	0.633	S	S	.	*			trans	36.8	105.3	164	-52.9	173.1	0	0	0	115.3	R142	I140-R142 VanDerWaalsContact C-N 3.27Å; I140-R142 PolarHBondContact O-N 3.35Å
141	R	59.2	Low	65.3	Low	193 Å²	193	122.1 Å²	122.1	73%	0.728	65%	0.647	S	S	*	*			trans	-59.9	67.6	-164.4	-55.4	159.4	179	179.7	5.8	114.8	N71 Y73	N71-R141 WeakPolarHBondContact ND2-CD 3.22Å; N71-R141 PolarHBondContact ND2-NH1 2.91Å; N71-R141 WeakPolarHBondContact OD1-CB 3.41Å; N71-R141 WeakPolarHBondContact OD1-CD 3.3Å; Y73-R141 VanDerWaalsContact CD2-O 3.28Å; Y73-R141 WeakPolarHBondContact CD2-O 3.21Å; Y73-R141 WeakPolarHBondContact CE2-O 3.18Å
142	R	67.7	Low	67.3	Low	129 Å²	129	124.6 Å²	124.6	49%	0.487	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-59.2	145.9	169.3	-62.2	-162.3	-159.1	176	1.4	109.5	Q130 I140 R144	Q130-R142 VanDerWaalsContact OE1-CZ 3.27Å; Q130-R142 VanDerWaalsContact OE1-NE 3.14Å; I140-R142 VanDerWaalsContact C-N 3.27Å; I140-R142 PolarHBondContact O-N 3.35Å; R142-R144 PolarHBondContact O-N 3.27Å
143	R	71.8	Confident	69.4	Low	143 Å²	143	120.5 Å²	120.5	54%	0.54	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-55.6	127.6	175.4	174.3	-177.9	164.9	96.1	2.1	110.3	K145	R143-K145 PolarHBondContact O-N 3.48Å
144	R	78.1	Confident	71.9	Confident	167 Å²	167	121.7 Å²	121.7	63%	0.63	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-53.2	127.6	174.5	-177.5	173.6	172.5	173.1	-3.5	110.8	R142 R146	R142-R144 PolarHBondContact O-N 3.27Å; R144-R146 PolarHBondContact O-N 3.28Å
145	K	83.4	Confident	74.4	Confident	192 Å²	192	117.3 Å²	117.3	84%	0.835	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-62.4	134.4	175.4	-167.3	74.5	173.9	-168.4	0	109.9	R143 T147	R143-K145 PolarHBondContact O-N 3.48Å; K145-T147 PolarHBondContact O-N 3.28Å
146	R	85.3	Confident	76.9	Confident	208 Å²	208	117.4 Å²	117.4	79%	0.785	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-65.7	128.6	173.8	171.5	176.7	-85.6	172.8	-6.5	109.3	R144 T148	R144-R146 PolarHBondContact O-N 3.28Å; R146-T148 PolarHBondContact O-N 3.47Å
147	T	90.3	Very high	79.6	Confident	66 Å²	66	109.5 Å²	109.5	41%	0.405	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-67.8	127.1	171.1	-52.3	0	0	0	0	110.3	K145 L181 V185	K145-T147 PolarHBondContact O-N 3.28Å; T147-L181 HydrophobicContact CG2-CD2 4.46Å; T147-V185 HydrophobicContact CG2-CG1 4.09Å; T147-V185 HydrophobicContact CG2-CG2 4.2Å
148	T	92.2	Very high	82.3	Confident	124 Å²	124	110.1 Å²	110.1	76%	0.761	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-90.4	124.1	169.4	48.2	0	0	0	0	108.6	R146	R146-T148 PolarHBondContact O-N 3.47Å
149	I	92.1	Very high	84.8	Confident	22 Å²	22	107.7 Å²	107.7	11%	0.113	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-99	127	174.5	-58.9	171.9	0	0	0	106.2	M153 R154 L157 L181 V185 W189	I149-M153 HydrophobicContact CG2-CB 3.73Å; I149-M153 HydrophobicContact CG2-SD 4.47Å; I149-R154 HydrophobicContact CB-CG 4.25Å; I149-R154 HydrophobicContact CG2-CG 3.75Å; I149-R154 PolarHBondContact O-NE 3.37Å; I149-R154 PolarHBondContact O-NH1 3.09Å; I149-R154 VanDerWaalsContact O-NH1 3.12Å; I149-R154 PolarHBondContact O-NH2 3.09Å; I149-L157 HydrophobicContact CG2-CD1 4.41Å; I149-L181 HydrophobicContact CG1-CD1 4.47Å; I149-V185 HydrophobicContact CD1-CG1 3.94Å; I149-V185 HydrophobicContact CG1-CG1 4.23Å; I149-W189 HydrophobicContact CD1-CG 4.38Å
150	D	93.6	Very high	87	Confident	92 Å²	92	103.9 Å²	103.9	49%	0.492	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-68.6	157.6	-179.7	-179.7	49.8	0	0	0	112.2	R152 M153 R154	D150-R152 VanDerWaalsContact C-N 3.32Å; D150-R152 PolarHBondContact O-N 3.24Å; D150-R152 WeakPolarHBondContact OD2-CB 3.31Å; D150-R152 PolarHBondContact OD2-N 3.15Å; D150-R152 VanDerWaalsContact OD2-N 3.12Å; D150-M153 HydrophobicContact CB-CG 4.07Å; D150-M153 HydrophobicContact CB-SD 3.85Å; D150-M153 PolarHBondContact O-N 3.48Å; D150-R154 WeakPolarHBondContact O-CG 3.36Å; D150-R154 PolarHBondContact O-N 3.19Å
151	N	94.3	Very high	89	Confident	104 Å²	104	100 Å²	100	56%	0.556	45%	0.451	S	S	*	.	H	α-helix	trans	-58	-40.7	179.2	-75.2	-23.7	0	0	0	112.6	M153 R154 S155	N151-M153 VanDerWaalsContact C-N 3.32Å; N151-M153 PolarHBondContact O-N 3.46Å; N151-R154 PolarHBondContact O-N 3.2Å; N151-R154 PolarHBondContact OD1-NH1 3.4Å; N151-S155 PolarHBondContact O-N 3.28Å; N151-S155 PolarHBondContact O-OG 3.24Å
152	R	95.3	Very high	90.7	Very high	211 Å²	211	99.4 Å²	99.4	80%	0.796	45%	0.454	S	S	*	.	H	α-helix	trans	-59.6	-45.5	176.7	-177.7	-177.2	175.5	-165.3	-1.6	111.3	D150 S155 F156	D150-R152 VanDerWaalsContact C-N 3.32Å; D150-R152 PolarHBondContact O-N 3.24Å; D150-R152 WeakPolarHBondContact OD2-CB 3.31Å; D150-R152 PolarHBondContact OD2-N 3.15Å; D150-R152 VanDerWaalsContact OD2-N 3.12Å; R152-S155 PolarHBondContact O-N 3.31Å; R152-F156 PolarHBondContact O-N 3.43Å; R152-F156 VanDerWaalsContact O-N 3.11Å
153	M	95.4	Very high	92.1	Very high	37 Å²	37	99 Å²	99	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-66.6	-38.5	179.4	-52.4	170.5	83.2	0	0	111.5	I149 D150 N151 F156 L157 L179 L181	I149-M153 HydrophobicContact CG2-CB 3.73Å; I149-M153 HydrophobicContact CG2-SD 4.47Å; D150-M153 HydrophobicContact CB-CG 4.07Å; D150-M153 HydrophobicContact CB-SD 3.85Å; D150-M153 PolarHBondContact O-N 3.48Å; N151-M153 VanDerWaalsContact C-N 3.32Å; N151-M153 PolarHBondContact O-N 3.46Å; M153-F156 PolarHBondContact O-N 3.3Å; M153-L157 WeakPolarHBondContact O-CG 3.49Å; M153-L157 PolarHBondContact O-N 3.45Å; M153-L179 HydrophobicContact CB-CD2 4.15Å; M153-L179 HydrophobicContact CE-CB 3.77Å; M153-L179 HydrophobicContact CE-CD2 4.34Å; M153-L179 WeakPolarHBondContact CE-O 3.37Å; M153-L179 HydrophobicContact CG-CD2 4.29Å; M153-L181 HydrophobicContact CE-CD1 3.61Å; M153-L181 HydrophobicContact CE-CD2 3.68Å; M153-L181 HydrophobicContact CE-CG 3.45Å; M153-L181 VanDerWaalsContact CE-CG 3.45Å
154	R	95.5	Very high	93.2	Very high	101 Å²	101	94.2 Å²	94.2	38%	0.381	45%	0.452	S	S	.	.	H	α-helix	trans	-61	-47.5	174.1	-71.4	178.7	-173.9	119.5	2.7	111.2	I149 D150 N151 F156 L157 E158	I149-R154 HydrophobicContact CB-CG 4.25Å; I149-R154 HydrophobicContact CG2-CG 3.75Å; I149-R154 PolarHBondContact O-NE 3.37Å; I149-R154 PolarHBondContact O-NH1 3.09Å; I149-R154 VanDerWaalsContact O-NH1 3.12Å; I149-R154 PolarHBondContact O-NH2 3.09Å; D150-R154 WeakPolarHBondContact O-CG 3.36Å; D150-R154 PolarHBondContact O-N 3.19Å; N151-R154 PolarHBondContact O-N 3.2Å; N151-R154 PolarHBondContact OD1-NH1 3.4Å; R154-F156 VanDerWaalsContact C-N 3.3Å; R154-F156 PolarHBondContact O-N 3.34Å; R154-L157 PolarHBondContact O-N 3.23Å; R154-E158 WeakPolarHBondContact O-CG 3.21Å; R154-E158 PolarHBondContact O-N 2.83Å
155	S	95.9	Very high	94	Very high	75 Å²	75	88.9 Å²	88.9	52%	0.524	44%	0.439	S	S	.	.	H	α-helix	trans	-60.8	-39.5	179.1	-60.6	0	0	0	0	112.2	N151 R152 E158 S159	N151-S155 PolarHBondContact O-N 3.28Å; N151-S155 PolarHBondContact O-OG 3.24Å; R152-S155 PolarHBondContact O-N 3.31Å; S155-E158 PolarHBondContact O-N 2.66Å; S155-S159 PolarHBondContact O-N 3.45Å
156	F	96.3	Very high	94.6	Very high	62 Å²	62	89 Å²	89	27%	0.272	43%	0.434	S	S	.	.	H	α-helix	trans	-64.9	-46.9	174.1	-178.4	-98	0	0	0	112.4	R152 M153 R154 E158 S159 V160 L175 E178 L179	R152-F156 PolarHBondContact O-N 3.43Å; R152-F156 VanDerWaalsContact O-N 3.11Å; M153-F156 PolarHBondContact O-N 3.3Å; R154-F156 VanDerWaalsContact C-N 3.3Å; R154-F156 PolarHBondContact O-N 3.34Å; F156-E158 PolarHBondContact O-N 2.75Å; F156-S159 PolarHBondContact O-N 3.3Å; F156-S159 VanDerWaalsContact O-N 3.14Å; F156-S159 PolarHBondContact O-OG 3.03Å; F156-V160 HydrophobicContact CD1-CG2 4.33Å; F156-V160 HydrophobicContact CE1-CG2 4.01Å; F156-V160 HydrophobicContact CZ-CG2 4.14Å; F156-V160 WeakPolarHBondContact O-CG2 3.32Å; F156-V160 PolarHBondContact O-N 3.44Å; F156-V160 VanDerWaalsContact O-N 3.08Å; F156-L175 HydrophobicContact CE1-CD2 3.69Å; F156-L175 HydrophobicContact CZ-CD2 4.29Å; F156-E178 WeakPolarHBondContact CZ-OE1 3.29Å; F156-E178 VanDerWaalsContact CZ-OE2 3.32Å; F156-E178 WeakPolarHBondContact CZ-OE2 3.4Å; F156-L179 HydrophobicContact CD1-CD1 4.16Å; F156-L179 HydrophobicContact CD1-CD2 3.79Å; F156-L179 HydrophobicContact CD1-CG 4.21Å; F156-L179 HydrophobicContact CE1-CD2 4.33Å; F156-L179 HydrophobicContact CE1-CG 4.44Å; F156-L179 HydrophobicContact CG-CD2 4.42Å
157	L	97	Very high	95.1	Very high	0 Å²	0	79.9 Å²	79.9	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-60.4	-34.7	175.2	-71.9	170	0	0	0	112	I149 M153 R154 F161 L179 V186 W189 F190	I149-L157 HydrophobicContact CG2-CD1 4.41Å; M153-L157 WeakPolarHBondContact O-CG 3.49Å; M153-L157 PolarHBondContact O-N 3.45Å; R154-L157 PolarHBondContact O-N 3.23Å; L157-F161 VanDerWaalsContact O-CB 3.31Å; L157-F161 WeakPolarHBondContact O-CB 3.49Å; L157-F161 PolarHBondContact O-N 3.47Å; L157-L179 HydrophobicContact CD1-CD1 4.11Å; L157-L179 HydrophobicContact CD2-CD1 3.58Å; L157-L179 HydrophobicContact CG-CD1 3.71Å; L157-V186 HydrophobicContact CD2-CG1 4.08Å; L157-W189 HydrophobicContact CB-CD2 3.95Å; L157-W189 HydrophobicContact CB-CE3 3.9Å; L157-W189 HydrophobicContact CB-CH2 3.56Å; L157-W189 HydrophobicContact CB-CZ2 3.56Å; L157-W189 HydrophobicContact CB-CZ3 3.72Å; L157-W189 HydrophobicContact CD1-CD2 3.8Å; L157-W189 HydrophobicContact CD1-CE3 4.31Å; L157-W189 HydrophobicContact CD1-CG 3.86Å; L157-W189 HydrophobicContact CD2-CE3 4.43Å; L157-W189 HydrophobicContact CG-CD2 4.38Å; L157-W189 HydrophobicContact CG-CE3 4.45Å; L157-W189 VanDerWaalsContact O-CH2 3.29Å; L157-W189 WeakPolarHBondContact O-CH2 3.48Å; L157-W189 WeakPolarHBondContact O-CZ3 3.43Å; L157-F190 HydrophobicContact CD2-CE2 3.84Å; L157-F190 HydrophobicContact CD2-CZ 4.4Å
158	E	96.7	Very high	95.4	Very high	82 Å²	82	80.8 Å²	80.8	38%	0.383	41%	0.405	S	S	.	.	H	α-helix	trans	-68.6	-36.4	174.6	-73.6	-172.7	175	0	0	113.5	R154 S155 F156 F161 K162 W189	R154-E158 WeakPolarHBondContact O-CG 3.21Å; R154-E158 PolarHBondContact O-N 2.83Å; S155-E158 PolarHBondContact O-N 2.66Å; F156-E158 PolarHBondContact O-N 2.75Å; E158-F161 PolarHBondContact O-N 2.93Å; E158-K162 WeakPolarHBondContact O-CG 3.28Å; E158-K162 PolarHBondContact O-N 3.44Å; E158-W189 HydrophobicContact CG-CH2 4.01Å; E158-W189 HydrophobicContact CG-CZ2 3.83Å
159	S	96.5	Very high	95.6	Very high	59 Å²	59	78.8 Å²	78.8	41%	0.413	40%	0.396	S	S	.	.	H	α-helix	trans	-66.8	-43.4	174.6	69.1	0	0	0	0	111.2	S155 F156 F161 K162	S155-S159 PolarHBondContact O-N 3.45Å; F156-S159 PolarHBondContact O-N 3.3Å; F156-S159 VanDerWaalsContact O-N 3.14Å; F156-S159 PolarHBondContact O-OG 3.03Å; S159-F161 VanDerWaalsContact C-N 3.34Å; S159-F161 PolarHBondContact O-N 3.4Å; S159-K162 PolarHBondContact O-N 2.89Å
160	V	96.3	Very high	95.9	Very high	27 Å²	27	84.5 Å²	84.5	16%	0.164	42%	0.419	C	S	.	.	H	α-helix	trans	-63.1	-41	175.8	178.4	0	0	0	0	111.1	F156 K162 V163 T164 L175 F190	F156-V160 HydrophobicContact CD1-CG2 4.33Å; F156-V160 HydrophobicContact CE1-CG2 4.01Å; F156-V160 HydrophobicContact CZ-CG2 4.14Å; F156-V160 WeakPolarHBondContact O-CG2 3.32Å; F156-V160 PolarHBondContact O-N 3.44Å; F156-V160 VanDerWaalsContact O-N 3.08Å; V160-K162 PolarHBondContact O-N 3.07Å; V160-V163 PolarHBondContact O-N 3.41Å; V160-V163 VanDerWaalsContact O-N 3.08Å; V160-T164 PolarHBondContact O-N 2.9Å; V160-T164 PolarHBondContact O-OG1 3.5Å; V160-L175 HydrophobicContact CG1-CD1 4Å; V160-L175 HydrophobicContact CG1-CD2 4.18Å; V160-L175 HydrophobicContact CG2-CD2 3.94Å; V160-F190 HydrophobicContact CB-CZ 4.38Å; V160-F190 HydrophobicContact CG1-CZ 3.95Å
161	F	96.9	Very high	96	Very high	6 Å²	6	83.1 Å²	83.1	3%	0.026	41%	0.41	C	S	.	.	H	α-helix	trans	-58	-35.1	177.8	-175.8	-91.7	0	0	0	113.1	L157 E158 S159 V163 T164 P165 W189 F190 R193 R194 E197	L157-F161 VanDerWaalsContact O-CB 3.31Å; L157-F161 WeakPolarHBondContact O-CB 3.49Å; L157-F161 PolarHBondContact O-N 3.47Å; E158-F161 PolarHBondContact O-N 2.93Å; S159-F161 VanDerWaalsContact C-N 3.34Å; S159-F161 PolarHBondContact O-N 3.4Å; F161-V163 VanDerWaalsContact C-N 3.31Å; F161-V163 PolarHBondContact O-N 3.31Å; F161-T164 CarbonylContact O-C 3.59Å; F161-P165 HydrophobicContact CD2-CB 4.42Å; F161-P165 HydrophobicContact CE2-CB 4.02Å; F161-P165 HydrophobicContact CZ-CB 4.08Å; F161-P165 WeakPolarHBondContact O-CD 3.36Å; F161-P165 WeakPolarHBondContact O-CG 3.38Å; F161-W189 HydrophobicContact CB-CH2 4.11Å; F161-W189 HydrophobicContact CB-CZ3 4.09Å; F161-W189 HydrophobicContact CD2-CZ3 4.2Å; F161-W189 HydrophobicContact CG-CZ3 4.46Å; F161-F190 HydrophobicContact CB-CE1 4.08Å; F161-F190 AromaticContact CD2-CD1 3.7Å; F161-F190 HydrophobicContact CD2-CD1 3.7Å; F161-F190 AromaticContact CD2-CE1 3.93Å; F161-F190 HydrophobicContact CD2-CE1 3.93Å; F161-F190 HydrophobicContact CE2-CD1 4.42Å; F161-R193 HydrophobicContact CD1-CG 4.12Å; F161-R193 HydrophobicContact CD2-CB 4.26Å; F161-R193 HydrophobicContact CD2-CG 3.7Å; F161-R193 HydrophobicContact CE1-CG 4.1Å; F161-R193 HydrophobicContact CE2-CB 4.11Å; F161-R193 HydrophobicContact CE2-CG 3.68Å; F161-R193 HydrophobicContact CG-CG 3.94Å; F161-R193 HydrophobicContact CZ-CG 3.89Å; F161-R194 HydrophobicContact CE2-CB 4.4Å; F161-E197 WeakPolarHBondContact CZ-OE2 3.32Å
162	K	95.1	Very high	96.2	Very high	180 Å²	180	79.2 Å²	79.2	78%	0.783	39%	0.389	S	S	*	.	H	α-helix	trans	-65.2	-34.5	177.3	-68.9	174	-177.2	-178.7	0	112.6	E158 S159 V160	E158-K162 WeakPolarHBondContact O-CG 3.28Å; E158-K162 PolarHBondContact O-N 3.44Å; S159-K162 PolarHBondContact O-N 2.89Å; V160-K162 PolarHBondContact O-N 3.07Å
163	V	96	Very high	96.3	Very high	121 Å²	121	74.1 Å²	74.1	73%	0.733	37%	0.374	S	S	*	.	H	α-helix	trans	-86.4	-44	-179.3	-172.9	0	0	0	0	110.9	V160 F161	V160-V163 PolarHBondContact O-N 3.41Å; V160-V163 VanDerWaalsContact O-N 3.08Å; F161-V163 VanDerWaalsContact C-N 3.31Å; F161-V163 PolarHBondContact O-N 3.31Å
164	T	94.2	Very high	96.4	Very high	43 Å²	43	77.3 Å²	77.3	26%	0.264	39%	0.389	S	S	.	.			trans	-135.7	87.6	-176.6	54.5	0	0	0	0	111.2	V160 F161 R166	V160-T164 PolarHBondContact O-N 2.9Å; V160-T164 PolarHBondContact O-OG1 3.5Å; F161-T164 CarbonylContact O-C 3.59Å; T164-R166 PolarHBondContact O-N 3.36Å
165	P	95.1	Very high	96.4	Very high	54 Å²	54	73.2 Å²	73.2	35%	0.351	37%	0.374	S	S	.	.	S	Bend	trans	-66.6	-16.8	-179.9	-21.4	31.1	0	0	0	114.8	F161	F161-P165 HydrophobicContact CD2-CB 4.42Å; F161-P165 HydrophobicContact CE2-CB 4.02Å; F161-P165 HydrophobicContact CZ-CB 4.08Å; F161-P165 WeakPolarHBondContact O-CD 3.36Å; F161-P165 WeakPolarHBondContact O-CG 3.38Å
166	R	96.1	Very high	96.5	Very high	195 Å²	195	70 Å²	70	74%	0.736	35%	0.352	S	S	*	.	S	Bend	trans	-132	71.2	-178.1	-67.6	-179.5	173.6	-120.3	5.4	110.3	T164	T164-R166 PolarHBondContact O-N 3.36Å
167	P	96.2	Very high	96.5	Very high	17 Å²	17	72.4 Å²	72.4	11%	0.11	37%	0.372	C	S	.	.			trans	-63.1	143.9	177.5	28.2	-34.9	0	0	0	110.7	Q171 I172 F190	P167-Q171 VanDerWaalsContact CA-OE1 3.32Å; P167-Q171 HydrophobicContact CB-CB 3.85Å; P167-I172 HydrophobicContact CB-CG1 4.03Å; P167-I172 HydrophobicContact CG-CD1 4.29Å; P167-I172 HydrophobicContact CG-CG1 3.81Å; P167-F190 HydrophobicContact CG-CD1 3.79Å; P167-F190 HydrophobicContact CG-CD2 3.9Å; P167-F190 HydrophobicContact CG-CE1 3.85Å; P167-F190 HydrophobicContact CG-CE2 3.97Å; P167-F190 HydrophobicContact CG-CG 3.84Å; P167-F190 HydrophobicContact CG-CZ 3.96Å
168	N	96.8	Very high	96.4	Very high	85 Å²	85	78.5 Å²	78.5	46%	0.455	40%	0.401	S	S	.	.			trans	-74.6	174.3	173.9	70.7	36.1	0	0	0	111.3	K170 Q171 I172	N168-K170 VanDerWaalsContact C-N 3.32Å; N168-K170 PolarHBondContact O-N 3.48Å; N168-K170 WeakPolarHBondContact OD1-CB 3.32Å; N168-K170 PolarHBondContact OD1-N 3.31Å; N168-Q171 PolarHBondContact ND2-OE1 2.81Å; N168-Q171 PolarHBondContact O-N 3Å; N168-Q171 WeakPolarHBondContact OD1-CG 3.33Å; N168-Q171 PolarHBondContact OD1-N 2.99Å; N168-I172 VanDerWaalsContact O-CG1 3.31Å; N168-I172 WeakPolarHBondContact O-CG1 3.4Å; N168-I172 PolarHBondContact O-N 3.42Å
169	S	97.2	Very high	96.3	Very high	82 Å²	82	75.6 Å²	75.6	57%	0.573	39%	0.387	S	S	*	.	H	α-helix	trans	-57.5	-43.7	-178	-160.6	0	0	0	0	112.7	I172 E173	S169-I172 WeakPolarHBondContact O-CB 3.37Å; S169-I172 PolarHBondContact O-N 3.4Å; S169-E173 WeakPolarHBondContact O-CG 3.37Å; S169-E173 PolarHBondContact O-N 3.38Å; S169-E173 PolarHBondContact OG-OE1 3.09Å
170	K	97	Very high	96.2	Very high	141 Å²	141	78.2 Å²	78.2	61%	0.613	41%	0.406	S	S	*	.	H	α-helix	trans	-63.5	-45.4	-179.5	-172.2	-175.7	178	-169.5	0	111.9	N168 I172 E173 E174	N168-K170 VanDerWaalsContact C-N 3.32Å; N168-K170 PolarHBondContact O-N 3.48Å; N168-K170 WeakPolarHBondContact OD1-CB 3.32Å; N168-K170 PolarHBondContact OD1-N 3.31Å; K170-I172 VanDerWaalsContact C-N 3.3Å; K170-I172 PolarHBondContact O-N 2.88Å; K170-E173 WeakPolarHBondContact O-CB 3.49Å; K170-E173 PolarHBondContact O-N 3.03Å; K170-E173 VanDerWaalsContact O-N 3.16Å; K170-E174 VanDerWaalsContact CE-OE1 3.23Å; K170-E174 WeakPolarHBondContact CE-OE1 3.47Å; K170-E174 WeakPolarHBondContact O-CG 3.43Å; K170-E174 PolarHBondContact O-N 3.25Å
171	Q	96.6	Very high	96.1	Very high	64 Å²	64	78.5 Å²	78.5	30%	0.299	41%	0.406	S	S	.	.	H	α-helix	trans	-61.8	-38.7	175.3	-70.8	172.2	-43.1	0	0	111.5	P167 N168 E173 E174 L175	P167-Q171 VanDerWaalsContact CA-OE1 3.32Å; P167-Q171 HydrophobicContact CB-CB 3.85Å; N168-Q171 PolarHBondContact ND2-OE1 2.81Å; N168-Q171 PolarHBondContact O-N 3Å; N168-Q171 WeakPolarHBondContact OD1-CG 3.33Å; N168-Q171 PolarHBondContact OD1-N 2.99Å; Q171-E173 VanDerWaalsContact C-N 3.33Å; Q171-E173 PolarHBondContact O-N 3.17Å; Q171-E174 PolarHBondContact O-N 2.81Å; Q171-L175 WeakPolarHBondContact O-CB 3.39Å; Q171-L175 WeakPolarHBondContact O-CG 3.36Å; Q171-L175 PolarHBondContact O-N 3.35Å
172	I	97.5	Very high	96	Very high	21 Å²	21	85.1 Å²	85.1	11%	0.108	44%	0.435	C	S	.	.	H	α-helix	trans	-63.6	-39.7	175.5	-69.2	168.5	0	0	0	111.1	P167 N168 S169 K170 A176 A183 V186 R187	P167-I172 HydrophobicContact CB-CG1 4.03Å; P167-I172 HydrophobicContact CG-CD1 4.29Å; P167-I172 HydrophobicContact CG-CG1 3.81Å; N168-I172 VanDerWaalsContact O-CG1 3.31Å; N168-I172 WeakPolarHBondContact O-CG1 3.4Å; N168-I172 PolarHBondContact O-N 3.42Å; S169-I172 WeakPolarHBondContact O-CB 3.37Å; S169-I172 PolarHBondContact O-N 3.4Å; K170-I172 VanDerWaalsContact C-N 3.3Å; K170-I172 PolarHBondContact O-N 2.88Å; I172-A176 WeakPolarHBondContact O-CB 3.32Å; I172-A176 PolarHBondContact O-N 2.83Å; I172-A183 HydrophobicContact CG2-CB 4.2Å; I172-A183 WeakPolarHBondContact CG2-O 3.32Å; I172-V186 HydrophobicContact CG2-CB 4.19Å; I172-V186 HydrophobicContact CG2-CG1 4.23Å; I172-R187 HydrophobicContact CD1-CB 4.18Å; I172-R187 HydrophobicContact CD1-CG 4.05Å; I172-R187 HydrophobicContact CG2-CB 4.21Å
173	E	97.7	Very high	96.1	Very high	104 Å²	104	78.4 Å²	78.4	49%	0.486	41%	0.413	S	S	.	.	H	α-helix	trans	-67.8	-41.6	177.1	-72.8	166.3	-152.4	0	0	112.6	S169 K170 Q171 A176 T177	S169-E173 WeakPolarHBondContact O-CG 3.37Å; S169-E173 PolarHBondContact O-N 3.38Å; S169-E173 PolarHBondContact OG-OE1 3.09Å; K170-E173 WeakPolarHBondContact O-CB 3.49Å; K170-E173 PolarHBondContact O-N 3.03Å; K170-E173 VanDerWaalsContact O-N 3.16Å; Q171-E173 VanDerWaalsContact C-N 3.33Å; Q171-E173 PolarHBondContact O-N 3.17Å; E173-A176 PolarHBondContact O-N 3.12Å; E173-T177 PolarHBondContact O-N 3.27Å; E173-T177 PolarHBondContact O-OG1 2.93Å
174	E	97	Very high	96.1	Very high	104 Å²	104	76.7 Å²	76.7	49%	0.486	40%	0.397	S	S	.	.	H	α-helix	trans	-60.3	-50.5	174	-72.1	167.2	-176.5	0	0	110.9	K170 Q171 A176 T177 E178	K170-E174 VanDerWaalsContact CE-OE1 3.23Å; K170-E174 WeakPolarHBondContact CE-OE1 3.47Å; K170-E174 WeakPolarHBondContact O-CG 3.43Å; K170-E174 PolarHBondContact O-N 3.25Å; Q171-E174 PolarHBondContact O-N 2.81Å; E174-A176 VanDerWaalsContact C-N 3.29Å; E174-A176 PolarHBondContact O-N 3.33Å; E174-T177 WeakPolarHBondContact O-CB 3.47Å; E174-T177 PolarHBondContact O-N 3.47Å; E174-E178 PolarHBondContact O-N 3.25Å
175	L	96.9	Very high	96.2	Very high	16 Å²	16	75.6 Å²	75.6	8%	0.084	39%	0.39	C	S	.	.	H	α-helix	trans	-61.2	-37.6	176.3	-68.7	170.1	0	0	0	112.4	F156 V160 Q171 T177 L179 V186 F190	F156-L175 HydrophobicContact CE1-CD2 3.69Å; F156-L175 HydrophobicContact CZ-CD2 4.29Å; V160-L175 HydrophobicContact CG1-CD1 4Å; V160-L175 HydrophobicContact CG1-CD2 4.18Å; V160-L175 HydrophobicContact CG2-CD2 3.94Å; Q171-L175 WeakPolarHBondContact O-CB 3.39Å; Q171-L175 WeakPolarHBondContact O-CG 3.36Å; Q171-L175 PolarHBondContact O-N 3.35Å; L175-T177 VanDerWaalsContact C-N 3.34Å; L175-L179 VanDerWaalsContact O-CB 3.26Å; L175-L179 WeakPolarHBondContact O-CB 3.44Å; L175-L179 VanDerWaalsContact O-CG 3.26Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 3.47Å; L175-V186 HydrophobicContact CB-CG1 4.12Å; L175-V186 HydrophobicContact CD1-CG1 4.34Å; L175-F190 HydrophobicContact CD1-CE2 3.88Å; L175-F190 HydrophobicContact CD1-CZ 4.05Å
176	A	96.8	Very high	96.3	Very high	7 Å²	7	73 Å²	73	6%	0.058	37%	0.374	C	S	.	.	H	α-helix	trans	-65.7	-39.5	177.7	0	0	0	0	0	111.7	I172 E173 E174 S180 L181 A183 V186	I172-A176 WeakPolarHBondContact O-CB 3.32Å; I172-A176 PolarHBondContact O-N 2.83Å; E173-A176 PolarHBondContact O-N 3.12Å; E174-A176 VanDerWaalsContact C-N 3.29Å; E174-A176 PolarHBondContact O-N 3.33Å; A176-S180 WeakPolarHBondContact O-CA 3.46Å; A176-S180 PolarHBondContact O-N 3.26Å; A176-L181 WeakPolarHBondContact CB-O 3.31Å; A176-L181 PolarHBondContact O-N 3.36Å; A176-A183 HydrophobicContact CB-CB 4.21Å; A176-V186 HydrophobicContact CB-CG2 4.09Å
177	T	96.5	Very high	96.4	Very high	112 Å²	112	68.5 Å²	68.5	69%	0.687	36%	0.357	S	S	*	.	H	α-helix	trans	-66.4	-49.3	176.2	-55.6	0	0	0	0	110.8	E173 E174 L175 L179 S180	E173-T177 PolarHBondContact O-N 3.27Å; E173-T177 PolarHBondContact O-OG1 2.93Å; E174-T177 WeakPolarHBondContact O-CB 3.47Å; E174-T177 PolarHBondContact O-N 3.47Å; L175-T177 VanDerWaalsContact C-N 3.34Å; T177-L179 VanDerWaalsContact C-N 3.29Å; T177-L179 PolarHBondContact O-N 2.91Å; T177-S180 PolarHBondContact O-N 3.27Å; T177-S180 VanDerWaalsContact O-N 3.12Å
178	E	95.1	Very high	96.4	Very high	129 Å²	129	70 Å²	70	60%	0.603	37%	0.365	S	S	*	.	H	α-helix	trans	-60.4	-38.4	179.2	-173.3	174.6	-177.7	0	0	112.3	F156 E174	F156-E178 WeakPolarHBondContact CZ-OE1 3.29Å; F156-E178 VanDerWaalsContact CZ-OE2 3.32Å; F156-E178 WeakPolarHBondContact CZ-OE2 3.4Å; E174-E178 PolarHBondContact O-N 3.25Å
179	L	94.3	Very high	96.4	Very high	20 Å²	20	67.6 Å²	67.6	11%	0.105	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.7	179.3	-64.2	176	0	0	0	113.8	M153 F156 L157 L175 T177 L181	M153-L179 HydrophobicContact CB-CD2 4.15Å; M153-L179 HydrophobicContact CE-CB 3.77Å; M153-L179 HydrophobicContact CE-CD2 4.34Å; M153-L179 WeakPolarHBondContact CE-O 3.37Å; M153-L179 HydrophobicContact CG-CD2 4.29Å; F156-L179 HydrophobicContact CD1-CD1 4.16Å; F156-L179 HydrophobicContact CD1-CD2 3.79Å; F156-L179 HydrophobicContact CD1-CG 4.21Å; F156-L179 HydrophobicContact CE1-CD2 4.33Å; F156-L179 HydrophobicContact CE1-CG 4.44Å; F156-L179 HydrophobicContact CG-CD2 4.42Å; L157-L179 HydrophobicContact CD1-CD1 4.11Å; L157-L179 HydrophobicContact CD2-CD1 3.58Å; L157-L179 HydrophobicContact CG-CD1 3.71Å; L175-L179 VanDerWaalsContact O-CB 3.26Å; L175-L179 WeakPolarHBondContact O-CB 3.44Å; L175-L179 VanDerWaalsContact O-CG 3.26Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 3.47Å; T177-L179 VanDerWaalsContact C-N 3.29Å; T177-L179 PolarHBondContact O-N 2.91Å; L179-L181 HydrophobicContact CB-CB 4.44Å; L179-L181 HydrophobicContact CB-CD1 4.12Å; L179-L181 HydrophobicContact CB-CG 4.02Å; L179-L181 HydrophobicContact CD1-CD1 4.37Å; L179-L181 PolarHBondContact O-N 3.25Å
180	S	95	Very high	96.5	Very high	115 Å²	115	63.9 Å²	63.9	80%	0.804	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	39.5	-172.5	-60.3	0	0	0	0	113	A176 T177	A176-S180 WeakPolarHBondContact O-CA 3.46Å; A176-S180 PolarHBondContact O-N 3.26Å; T177-S180 PolarHBondContact O-N 3.27Å; T177-S180 VanDerWaalsContact O-N 3.12Å
181	L	94.6	Very high	96.4	Very high	32 Å²	32	58.7 Å²	58.7	17%	0.168	30%	0.304	C	S	.	.			trans	-111.4	161.8	177.3	-68	-178.7	0	0	0	110.9	T147 I149 M153 A176 L179 V185 V186	T147-L181 HydrophobicContact CG2-CD2 4.46Å; I149-L181 HydrophobicContact CG1-CD1 4.47Å; M153-L181 HydrophobicContact CE-CD1 3.61Å; M153-L181 HydrophobicContact CE-CD2 3.68Å; M153-L181 HydrophobicContact CE-CG 3.45Å; M153-L181 VanDerWaalsContact CE-CG 3.45Å; A176-L181 WeakPolarHBondContact CB-O 3.31Å; A176-L181 PolarHBondContact O-N 3.36Å; L179-L181 HydrophobicContact CB-CB 4.44Å; L179-L181 HydrophobicContact CB-CD1 4.12Å; L179-L181 HydrophobicContact CB-CG 4.02Å; L179-L181 HydrophobicContact CD1-CD1 4.37Å; L179-L181 PolarHBondContact O-N 3.25Å; L181-V185 HydrophobicContact CD1-CG1 4.28Å; L181-V186 HydrophobicContact CB-CG2 4.13Å; L181-V186 HydrophobicContact CD1-CG2 4.29Å
182	K	95.1	Very high	96.4	Very high	145 Å²	145	59.5 Å²	59.5	63%	0.63	31%	0.311	S	S	*	.			trans	-70.3	137.9	168.3	-64.3	-174.4	169.5	75.2	0	109.5	E184 V185 V186	K182-E184 PolarHBondContact O-N 3.38Å; K182-E184 VanDerWaalsContact O-N 3.09Å; K182-V185 HydrophobicContact CB-CG2 4.15Å; K182-V185 WeakPolarHBondContact O-CB 3.38Å; K182-V185 PolarHBondContact O-N 2.83Å; K182-V186 PolarHBondContact O-N 3.4Å
183	A	96.6	Very high	96.3	Very high	40 Å²	40	61.1 Å²	61.1	33%	0.331	32%	0.316	S	S	.	.	H	α-helix	trans	-49.7	-39.2	176.1	0	0	0	0	0	112.7	I172 A176 V185 V186 R187	I172-A183 HydrophobicContact CG2-CB 4.2Å; I172-A183 WeakPolarHBondContact CG2-O 3.32Å; A176-A183 HydrophobicContact CB-CB 4.21Å; A183-V185 VanDerWaalsContact C-N 3.32Å; A183-V185 PolarHBondContact O-N 3.26Å; A183-V186 PolarHBondContact O-N 2.9Å; A183-R187 WeakPolarHBondContact O-CB 3.42Å; A183-R187 PolarHBondContact O-N 2.73Å
184	E	95.9	Very high	96.2	Very high	85 Å²	85	59.6 Å²	59.6	40%	0.397	31%	0.305	S	S	.	.	H	α-helix	trans	-59.2	-37.9	175.4	176.6	58.2	-168.6	0	0	113.7	K182 R187 V188	K182-E184 PolarHBondContact O-N 3.38Å; K182-E184 VanDerWaalsContact O-N 3.09Å; E184-R187 IonicContact OE1-CZ 3.07Å; E184-R187 IonicContact OE1-NH2 2.79Å; E184-R187 PolarHBondContact OE1-NH2 3.35Å; E184-R187 IonicContact OE2-CZ 3.37Å; E184-R187 IonicContact OE2-NE 2.62Å; E184-R187 PolarHBondContact OE2-NE 3.34Å; E184-R187 IonicContact OE2-NH2 3.18Å; E184-R187 PolarHBondContact OE2-NH2 3.16Å; E184-V188 HydrophobicContact CG-CG2 4.5Å; E184-V188 VanDerWaalsContact O-CB 3.32Å; E184-V188 WeakPolarHBondContact O-CB 3.31Å; E184-V188 WeakPolarHBondContact O-CG2 3.26Å; E184-V188 PolarHBondContact O-N 3.2Å; E184-V188 VanDerWaalsContact OE1-CG2 3.28Å; E184-V188 WeakPolarHBondContact OE1-CG2 3.26Å
185	V	96.5	Very high	96	Very high	19 Å²	19	59.1 Å²	59.1	12%	0.115	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-44.2	178.6	174.9	0	0	0	0	110.1	T147 I149 L181 K182 A183 V188 W189	T147-V185 HydrophobicContact CG2-CG1 4.09Å; T147-V185 HydrophobicContact CG2-CG2 4.2Å; I149-V185 HydrophobicContact CD1-CG1 3.94Å; I149-V185 HydrophobicContact CG1-CG1 4.23Å; L181-V185 HydrophobicContact CD1-CG1 4.28Å; K182-V185 HydrophobicContact CB-CG2 4.15Å; K182-V185 WeakPolarHBondContact O-CB 3.38Å; K182-V185 PolarHBondContact O-N 2.83Å; A183-V185 VanDerWaalsContact C-N 3.32Å; A183-V185 PolarHBondContact O-N 3.26Å; V185-V188 PolarHBondContact O-N 3.01Å; V185-W189 WeakPolarHBondContact O-CB 3.46Å; V185-W189 PolarHBondContact O-N 3.21Å
186	V	96.9	Very high	95.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-49.6	177.6	179.6	0	0	0	0	110	L157 I172 L175 A176 L181 K182 A183 V188 W189 F190	L157-V186 HydrophobicContact CD2-CG1 4.08Å; I172-V186 HydrophobicContact CG2-CB 4.19Å; I172-V186 HydrophobicContact CG2-CG1 4.23Å; L175-V186 HydrophobicContact CB-CG1 4.12Å; L175-V186 HydrophobicContact CD1-CG1 4.34Å; A176-V186 HydrophobicContact CB-CG2 4.09Å; L181-V186 HydrophobicContact CB-CG2 4.13Å; L181-V186 HydrophobicContact CD1-CG2 4.29Å; K182-V186 PolarHBondContact O-N 3.4Å; A183-V186 PolarHBondContact O-N 2.9Å; V186-V188 PolarHBondContact O-N 3.5Å; V186-W189 WeakPolarHBondContact O-CA 3.49Å; V186-W189 WeakPolarHBondContact O-CB 3.41Å; V186-W189 PolarHBondContact O-N 2.92Å; V186-F190 HydrophobicContact CG1-CD2 3.92Å; V186-F190 HydrophobicContact CG1-CE2 3.8Å; V186-F190 WeakPolarHBondContact O-CD2 3.17Å; V186-F190 PolarHBondContact O-N 3.05Å
187	R	97.7	Very high	95.3	Very high	101 Å²	101	69.6 Å²	69.6	38%	0.381	34%	0.344	S	S	.	.	H	α-helix	trans	-53.8	-50.3	175.9	-170.4	-167.8	67	71	-2.1	112.1	I172 A183 E184 W189 F190 C191	I172-R187 HydrophobicContact CD1-CB 4.18Å; I172-R187 HydrophobicContact CD1-CG 4.05Å; I172-R187 HydrophobicContact CG2-CB 4.21Å; A183-R187 WeakPolarHBondContact O-CB 3.42Å; A183-R187 PolarHBondContact O-N 2.73Å; E184-R187 IonicContact OE1-CZ 3.07Å; E184-R187 IonicContact OE1-NH2 2.79Å; E184-R187 PolarHBondContact OE1-NH2 3.35Å; E184-R187 IonicContact OE2-CZ 3.37Å; E184-R187 IonicContact OE2-NE 2.62Å; E184-R187 PolarHBondContact OE2-NE 3.34Å; E184-R187 IonicContact OE2-NH2 3.18Å; E184-R187 PolarHBondContact OE2-NH2 3.16Å; R187-W189 VanDerWaalsContact C-N 3.31Å; R187-W189 PolarHBondContact O-N 3.48Å; R187-F190 PolarHBondContact O-N 3Å; R187-C191 PolarHBondContact O-N 2.98Å; R187-C191 PolarHBondContact O-SG 2.89Å
188	V	96.7	Very high	94.7	Very high	48 Å²	48	68.7 Å²	68.7	29%	0.291	34%	0.339	S	S	.	.	H	α-helix	trans	-64.2	-35.6	178.1	169.6	0	0	0	0	111.6	E184 V185 V186 C191 N192	E184-V188 HydrophobicContact CG-CG2 4.5Å; E184-V188 VanDerWaalsContact O-CB 3.32Å; E184-V188 WeakPolarHBondContact O-CB 3.31Å; E184-V188 WeakPolarHBondContact O-CG2 3.26Å; E184-V188 PolarHBondContact O-N 3.2Å; E184-V188 VanDerWaalsContact OE1-CG2 3.28Å; E184-V188 WeakPolarHBondContact OE1-CG2 3.26Å; V185-V188 PolarHBondContact O-N 3.01Å; V186-V188 PolarHBondContact O-N 3.5Å; V188-C191 PolarHBondContact O-N 3.35Å; V188-N192 WeakPolarHBondContact CG1-ND2 3.41Å; V188-N192 WeakPolarHBondContact O-CB 3.17Å; V188-N192 VanDerWaalsContact O-CG 3.26Å; V188-N192 PolarHBondContact O-N 3.41Å; V188-N192 PolarHBondContact O-ND2 2.94Å
189	W	97.2	Very high	93.9	Very high	34 Å²	34	71 Å²	71	13%	0.129	34%	0.342	C	S	.	.	H	α-helix	trans	-59.8	-50	174.5	-176	99.1	0	0	0	111.2	I149 L157 E158 F161 V185 V186 R187 C191 N192 R193	I149-W189 HydrophobicContact CD1-CG 4.38Å; L157-W189 HydrophobicContact CB-CD2 3.95Å; L157-W189 HydrophobicContact CB-CE3 3.9Å; L157-W189 HydrophobicContact CB-CH2 3.56Å; L157-W189 HydrophobicContact CB-CZ2 3.56Å; L157-W189 HydrophobicContact CB-CZ3 3.72Å; L157-W189 HydrophobicContact CD1-CD2 3.8Å; L157-W189 HydrophobicContact CD1-CE3 4.31Å; L157-W189 HydrophobicContact CD1-CG 3.86Å; L157-W189 HydrophobicContact CD2-CE3 4.43Å; L157-W189 HydrophobicContact CG-CD2 4.38Å; L157-W189 HydrophobicContact CG-CE3 4.45Å; L157-W189 VanDerWaalsContact O-CH2 3.29Å; L157-W189 WeakPolarHBondContact O-CH2 3.48Å; L157-W189 WeakPolarHBondContact O-CZ3 3.43Å; E158-W189 HydrophobicContact CG-CH2 4.01Å; E158-W189 HydrophobicContact CG-CZ2 3.83Å; F161-W189 HydrophobicContact CB-CH2 4.11Å; F161-W189 HydrophobicContact CB-CZ3 4.09Å; F161-W189 HydrophobicContact CD2-CZ3 4.2Å; F161-W189 HydrophobicContact CG-CZ3 4.46Å; V185-W189 WeakPolarHBondContact O-CB 3.46Å; V185-W189 PolarHBondContact O-N 3.21Å; V186-W189 WeakPolarHBondContact O-CA 3.49Å; V186-W189 WeakPolarHBondContact O-CB 3.41Å; V186-W189 PolarHBondContact O-N 2.92Å; R187-W189 VanDerWaalsContact C-N 3.31Å; R187-W189 PolarHBondContact O-N 3.48Å; W189-C191 PolarHBondContact O-N 3.01Å; W189-N192 PolarHBondContact O-N 2.98Å; W189-R193 HydrophobicContact CE3-CB 4.25Å; W189-R193 HydrophobicContact CH2-CB 4.12Å; W189-R193 HydrophobicContact CH2-CG 3.84Å; W189-R193 HydrophobicContact CZ2-CB 4.45Å; W189-R193 HydrophobicContact CZ2-CG 4.34Å; W189-R193 HydrophobicContact CZ3-CB 4.02Å; W189-R193 HydrophobicContact CZ3-CG 4.1Å; W189-R193 VanDerWaalsContact O-CB 3.32Å; W189-R193 WeakPolarHBondContact O-CB 3.43Å; W189-R193 PolarHBondContact O-N 2.83Å
190	F	97.9	Very high	92.8	Very high	5 Å²	5	74.1 Å²	74.1	2%	0.022	37%	0.366	C	S	.	.	H	α-helix	trans	-62.4	-41.2	177.6	-84.1	-88.6	0	0	0	111.9	L157 V160 F161 P167 L175 V186 R187 R193 R194	L157-F190 HydrophobicContact CD2-CE2 3.84Å; L157-F190 HydrophobicContact CD2-CZ 4.4Å; V160-F190 HydrophobicContact CB-CZ 4.38Å; V160-F190 HydrophobicContact CG1-CZ 3.95Å; F161-F190 HydrophobicContact CB-CE1 4.08Å; F161-F190 AromaticContact CD2-CD1 3.7Å; F161-F190 HydrophobicContact CD2-CD1 3.7Å; F161-F190 AromaticContact CD2-CE1 3.93Å; F161-F190 HydrophobicContact CD2-CE1 3.93Å; F161-F190 HydrophobicContact CE2-CD1 4.42Å; P167-F190 HydrophobicContact CG-CD1 3.79Å; P167-F190 HydrophobicContact CG-CD2 3.9Å; P167-F190 HydrophobicContact CG-CE1 3.85Å; P167-F190 HydrophobicContact CG-CE2 3.97Å; P167-F190 HydrophobicContact CG-CG 3.84Å; P167-F190 HydrophobicContact CG-CZ 3.96Å; L175-F190 HydrophobicContact CD1-CE2 3.88Å; L175-F190 HydrophobicContact CD1-CZ 4.05Å; V186-F190 HydrophobicContact CG1-CD2 3.92Å; V186-F190 HydrophobicContact CG1-CE2 3.8Å; V186-F190 WeakPolarHBondContact O-CD2 3.17Å; V186-F190 PolarHBondContact O-N 3.05Å; R187-F190 PolarHBondContact O-N 3Å; F190-R193 PolarHBondContact O-N 3.08Å; F190-R194 WeakPolarHBondContact O-CB 3.44Å; F190-R194 PolarHBondContact O-N 3.46Å
191	C	96.3	Very high	91.2	Very high	31 Å²	31	71.1 Å²	71.1	21%	0.209	35%	0.352	C	S	.	.	H	α-helix	trans	-58.3	-49.7	173.9	-68.5	0	0	0	0	112	R187 V188 W189 R194 Q195	R187-C191 PolarHBondContact O-N 2.98Å; R187-C191 PolarHBondContact O-SG 2.89Å; V188-C191 PolarHBondContact O-N 3.35Å; W189-C191 PolarHBondContact O-N 3.01Å; C191-R194 PolarHBondContact O-N 3.2Å; C191-Q195 WeakPolarHBondContact O-CG 3.23Å; C191-Q195 PolarHBondContact O-N 3.02Å; C191-Q195 VanDerWaalsContact O-N 3.09Å
192	N	96.7	Very high	89.5	Confident	82 Å²	82	76.7 Å²	76.7	44%	0.439	38%	0.383	S	S	.	.	H	α-helix	trans	-66.9	-38.5	-179.9	-72.7	-18.7	0	0	0	111.9	V188 W189 Q195 R196	V188-N192 WeakPolarHBondContact CG1-ND2 3.41Å; V188-N192 WeakPolarHBondContact O-CB 3.17Å; V188-N192 VanDerWaalsContact O-CG 3.26Å; V188-N192 PolarHBondContact O-N 3.41Å; V188-N192 PolarHBondContact O-ND2 2.94Å; W189-N192 PolarHBondContact O-N 2.98Å; N192-Q195 PolarHBondContact O-N 2.81Å; N192-R196 WeakPolarHBondContact O-CG 2.93Å; N192-R196 PolarHBondContact O-N 3.4Å; N192-R196 VanDerWaalsContact O-N 3.09Å
193	R	95.6	Very high	87.4	Confident	54 Å²	54	75.3 Å²	75.3	20%	0.204	39%	0.386	C	S	.	.	H	α-helix	trans	-64.9	-41	178.6	-179	59.9	-172.7	76	2.1	111.7	F161 W189 F190 R196 E197	F161-R193 HydrophobicContact CD1-CG 4.12Å; F161-R193 HydrophobicContact CD2-CB 4.26Å; F161-R193 HydrophobicContact CD2-CG 3.7Å; F161-R193 HydrophobicContact CE1-CG 4.1Å; F161-R193 HydrophobicContact CE2-CB 4.11Å; F161-R193 HydrophobicContact CE2-CG 3.68Å; F161-R193 HydrophobicContact CG-CG 3.94Å; F161-R193 HydrophobicContact CZ-CG 3.89Å; W189-R193 HydrophobicContact CE3-CB 4.25Å; W189-R193 HydrophobicContact CH2-CB 4.12Å; W189-R193 HydrophobicContact CH2-CG 3.84Å; W189-R193 HydrophobicContact CZ2-CB 4.45Å; W189-R193 HydrophobicContact CZ2-CG 4.34Å; W189-R193 HydrophobicContact CZ3-CB 4.02Å; W189-R193 HydrophobicContact CZ3-CG 4.1Å; W189-R193 VanDerWaalsContact O-CB 3.32Å; W189-R193 WeakPolarHBondContact O-CB 3.43Å; W189-R193 PolarHBondContact O-N 2.83Å; F190-R193 PolarHBondContact O-N 3.08Å; R193-R196 WeakPolarHBondContact O-CB 3.49Å; R193-R196 PolarHBondContact O-N 2.98Å; R193-E197 PolarHBondContact O-N 3.36Å
194	R	95.8	Very high	84.8	Confident	72 Å²	72	78.3 Å²	78.3	27%	0.272	41%	0.405	S	S	.	.	H	α-helix	trans	-66	-40.8	174.7	-169.1	179.1	63.4	-109.8	2.5	112.2	F161 F190 C191 R196 E197 T198	F161-R194 HydrophobicContact CE2-CB 4.4Å; F190-R194 WeakPolarHBondContact O-CB 3.44Å; F190-R194 PolarHBondContact O-N 3.46Å; C191-R194 PolarHBondContact O-N 3.2Å; R194-R196 VanDerWaalsContact C-N 3.26Å; R194-R196 PolarHBondContact O-N 3.08Å; R194-E197 PolarHBondContact O-N 3.14Å; R194-T198 PolarHBondContact O-N 3.15Å; R194-T198 VanDerWaalsContact O-N 3.15Å; R194-T198 PolarHBondContact O-OG1 2.88Å
195	Q	92.8	Very high	81.9	Confident	94 Å²	94	80.5 Å²	80.5	44%	0.439	42%	0.423	S	S	.	.	H	α-helix	trans	-60.8	-35.4	174.4	-73	176.1	13.4	0	0	112.7	C191 N192 R199	C191-Q195 WeakPolarHBondContact O-CG 3.23Å; C191-Q195 PolarHBondContact O-N 3.02Å; C191-Q195 VanDerWaalsContact O-N 3.09Å; N192-Q195 PolarHBondContact O-N 2.81Å; Q195-R199 VanDerWaalsContact O-CG 3.3Å; Q195-R199 WeakPolarHBondContact O-CG 3.4Å; Q195-R199 PolarHBondContact O-N 2.97Å
196	R	90.3	Very high	78.8	Confident	149 Å²	149	85.2 Å²	85.2	56%	0.562	46%	0.456	S	S	*	.	H	α-helix	trans	-66.3	-41.5	175.3	-73.9	173.7	60.8	-143.9	-2.9	111.9	N192 R193 R194 R199 S200	N192-R196 WeakPolarHBondContact O-CG 2.93Å; N192-R196 PolarHBondContact O-N 3.4Å; N192-R196 VanDerWaalsContact O-N 3.09Å; R193-R196 WeakPolarHBondContact O-CB 3.49Å; R193-R196 PolarHBondContact O-N 2.98Å; R194-R196 VanDerWaalsContact C-N 3.26Å; R194-R196 PolarHBondContact O-N 3.08Å; R196-R199 PolarHBondContact O-N 3.17Å; R196-S200 PolarHBondContact O-N 3.43Å; R196-S200 PolarHBondContact O-OG 3.11Å
197	E	88	Confident	75.7	Confident	95 Å²	95	94.5 Å²	94.5	44%	0.444	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-48.4	179.4	-175.2	162.9	-116.5	0	0	112.2	F161 R193 R194 R199 S200 G201	F161-E197 WeakPolarHBondContact CZ-OE2 3.32Å; R193-E197 PolarHBondContact O-N 3.36Å; R194-E197 PolarHBondContact O-N 3.14Å; E197-R199 VanDerWaalsContact C-N 3.25Å; E197-R199 PolarHBondContact O-N 3.46Å; E197-S200 PolarHBondContact O-N 2.98Å; E197-G201 PolarHBondContact O-N 3.42Å
198	T	83.2	Confident	72.8	Confident	93 Å²	93	95.3 Å²	95.3	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-63.2	-32.3	177.9	-48.1	0	0	0	0	112.3	R194 G201	R194-T198 PolarHBondContact O-N 3.15Å; R194-T198 VanDerWaalsContact O-N 3.15Å; R194-T198 PolarHBondContact O-OG1 2.88Å; T198-G201 PolarHBondContact O-N 3.12Å
199	R	79.1	Confident	70.3	Confident	177 Å²	177	99.9 Å²	99.9	67%	0.668	55%	0.549	S	S	*	.	H	α-helix	trans	-68.1	-33.8	177.4	-79.5	175.2	174.4	165.3	2.6	113.1	Q195 R196 E197 T203	Q195-R199 VanDerWaalsContact O-CG 3.3Å; Q195-R199 WeakPolarHBondContact O-CG 3.4Å; Q195-R199 PolarHBondContact O-N 2.97Å; R196-R199 PolarHBondContact O-N 3.17Å; E197-R199 VanDerWaalsContact C-N 3.25Å; E197-R199 PolarHBondContact O-N 3.46Å; R199-T203 PolarHBondContact O-OG1 2.97Å
200	S	72	Confident	67.9	Low	86 Å²	86	104 Å²	104	60%	0.601	58%	0.583	S	S	*	*	H	α-helix	trans	-71.4	-30.9	179.1	-62.5	0	0	0	0	112.8	R196 E197 T203	R196-S200 PolarHBondContact O-N 3.43Å; R196-S200 PolarHBondContact O-OG 3.11Å; E197-S200 PolarHBondContact O-N 2.98Å; S200-T203 PolarHBondContact O-OG1 3.32Å
201	G	60.5	Low	65.1	Low	51 Å²	51	111.7 Å²	111.7	53%	0.526	62%	0.624	S	S	.	*	H	α-helix	trans	-72.3	-25.1	-178.4	0	0	0	0	0	115.3	E197 T198	E197-G201 PolarHBondContact O-N 3.42Å; T198-G201 PolarHBondContact O-N 3.12Å
202	N	57.8	Low	62.3	Low	150 Å²	150	116.2 Å²	116.2	80%	0.802	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	0.2	-177.1	-86.1	37.2	0	0	0	114.4
203	T	51.5	Low	59.4	Low	116 Å²	116	119.4 Å²	119.4	71%	0.712	67%	0.672	S	S	*	*			trans	-111.7	10.2	-177.5	43.4	0	0	0	0	114.5	R199 S200 V205	R199-T203 PolarHBondContact O-OG1 2.97Å; S200-T203 PolarHBondContact O-OG1 3.32Å; T203-V205 PolarHBondContact O-N 3.12Å
204	S	41.9	Very low	57	Low	102 Å²	102	123 Å²	123	71%	0.713	70%	0.699	S	S	*	*			trans	-95.2	65.2	174.1	72.1	0	0	0	0	112.1
205	V	35.6	Very low	54.4	Low	131 Å²	131	125.2 Å²	125.2	79%	0.794	72%	0.721	S	S	*	*	S	Bend	trans	-135.3	121.9	157.3	-178.1	0	0	0	0	106.2	T203	T203-V205 PolarHBondContact O-N 3.12Å
206	C	31	Very low	51.9	Low	118 Å²	118	128.6 Å²	128.6	80%	0.797	74%	0.741	S	S	*	*	S	Bend	trans	72.7	84.4	175.5	84.5	0	0	0	0	119.1
207	E	31.6	Very low	49.6	Very low	195 Å²	195	128.2 Å²	128.2	91%	0.911	76%	0.755	S	S	*	*			trans	-162.6	73.7	142.1	-133.9	154	173.4	0	0	110.2
208	S	37.5	Very low	47.3	Very low	118 Å²	118	129.1 Å²	129.1	83%	0.825	77%	0.772	S	S	*	*			trans	-162	72.5	167.4	-70.1	0	0	0	0	109.9
209	V	45.1	Very low	45.5	Very low	145 Å²	145	130.3 Å²	130.3	88%	0.879	78%	0.781	S	S	*	*			trans	-135.4	97.5	148.9	-72.6	0	0	0	0	106.7
210	S	45.9	Very low	44.1	Very low	121 Å²	121	127.2 Å²	127.2	85%	0.846	79%	0.785	S	S	*	*			trans	-77.3	125.9	166.7	-157.6	0	0	0	0	106.8	C212	S210-C212 PolarHBondContact O-N 3.33Å
211	N	38.4	Very low	43	Very low	165 Å²	165	129.3 Å²	129.3	88%	0.882	79%	0.793	S	S	*	*			trans	-47.5	122.7	177.6	-72	-23.4	0	0	0	112.3
212	C	38.8	Very low	42.2	Very low	126 Å²	126	134 Å²	134	85%	0.851	81%	0.806	S	S	*	*			trans	-134	135.4	141.7	55.2	0	0	0	0	109.2	S210	S210-C212 PolarHBondContact O-N 3.33Å
213	D	34.4	Very low	41.5	Very low	150 Å²	150	134.2 Å²	134.2	80%	0.802	81%	0.807	S	S	*	*			trans	-67.5	133.9	-171.5	-170	5	0	0	0	112
214	V	46.3	Very low	41.1	Very low	128 Å²	128	133.3 Å²	133.3	78%	0.776	80%	0.803	S	S	*	*			trans	-173	108.1	146.5	-90.7	0	0	0	0	110.9
215	T	41.6	Very low	41.2	Very low	120 Å²	120	138.3 Å²	138.3	74%	0.736	81%	0.807	S	S	*	*			trans	42.5	124.3	137.6	54.5	0	0	0	0	121.7
216	L	40	Very low	41.5	Very low	165 Å²	165	141 Å²	141	86%	0.864	81%	0.809	S	S	*	*			trans	-13.1	126.8	157.1	-85.3	75.4	0	0	0	116.5
217	T	42.3	Very low	41.9	Very low	140 Å²	140	140.4 Å²	140.4	86%	0.859	81%	0.812	S	S	*	*				178.9	127.7	121.5	41.8	0	0	0	0	111
218	S	39.6	Very low	42.5	Very low	114 Å²	114	135 Å²	135	80%	0.797	80%	0.801	S	S	*	*			trans	40.8	128.2	154.6	-132.7	0	0	0	0	122.5
219	P	43.7	Very low	42.6	Very low	118 Å²	118	137.4 Å²	137.4	77%	0.766	81%	0.805	S	S	*	*			trans	-96.6	155.2	166.4	37.1	-28.7	0	0	0	112.6
220	P	50.4	Low	42.3	Very low	113 Å²	113	135.7 Å²	135.7	73%	0.734	80%	0.799	S	S	*	*			trans	-137.1	131.3	139.4	31.5	-14.9	0	0	0	115.1
221	V	49.3	Very low	42.3	Very low	130 Å²	130	137.9 Å²	137.9	79%	0.788	80%	0.801	S	S	*	*				27.6	139.9	129.7	-145.2	0	0	0	0	120.8
222	L	43.2	Very low	42.4	Very low	150 Å²	150	142.4 Å²	142.4	79%	0.785	81%	0.805	S	S	*	*			trans	100.5	102	153.1	-77	140.6	0	0	0	118.2
223	N	42.8	Very low	42.3	Very low	153 Å²	153	140 Å²	140	82%	0.818	80%	0.801	S	S	*	*				-156.1	110.4	125	-156.2	21.1	0	0	0	111.6
224	P	44.5	Very low	42.6	Very low	97 Å²	97	137.7 Å²	137.7	63%	0.63	80%	0.803	S	S	*	*			trans	-107.9	116.5	168.1	33.4	-19.9	0	0	0	110.4
225	Y	43.4	Very low	42.4	Very low	207 Å²	207	136.2 Å²	136.2	81%	0.812	81%	0.805	S	S	*	*			trans	-145.5	133.2	162.5	-125.3	-93	0	0	0	109.6
226	F	41.8	Very low	42.4	Very low	187 Å²	187	135.4 Å²	135.4	82%	0.82	81%	0.81	S	S	*	*			trans	81.1	65.2	-178.9	-75.8	-83.1	0	0	0	118.6
227	A	40.2	Very low	42.6	Very low	106 Å²	106	131.5 Å²	131.5	88%	0.876	80%	0.802	S	S	*	*			trans	-104.5	109	140.1	0	0	0	0	0	108.5
228	A	43	Very low	43	Very low	82 Å²	82	131.7 Å²	131.7	68%	0.678	80%	0.802	S	S	*	*			trans	-157.1	138.4	161.7	0	0	0	0	0	109.8
229	N	39	Very low	43.2	Very low	168 Å²	168	135.8 Å²	135.8	90%	0.898	81%	0.806	S	S	*	*			trans	87.3	70.4	176.6	-62	-1.8	0	0	0	117.6
230	S	40.6	Very low	43.5	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	81%	0.806	S	S	*	*			trans	-141.2	138.3	138.7	-165.9	0	0	0	0	108.5
231	L	44.5	Very low	43.2	Very low	166 Å²	166	136.2 Å²	136.2	87%	0.869	81%	0.809	S	S	*	*			trans	90.1	94.1	178.9	-85	71.6	0	0	0	119.6
232	R	41.6	Very low	43.2	Very low	261 Å²	261	136.8 Å²	136.8	99%	0.985	80%	0.802	S	S	*	*			trans	-166.2	135.2	134.1	-129.3	174.5	-178.7	-135.6	-0.2	105.2
233	G	37.2	Very low	43.6	Very low	74 Å²	74	135 Å²	135	76%	0.763	80%	0.798	S	S	*	*			cis	167.7	141.6	9.7	0	0	0	0	0	103.9
234	A	40.4	Very low	43.8	Very low	102 Å²	102	133.5 Å²	133.5	84%	0.843	79%	0.794	S	S	*	*			trans	-73	165.2	-177	0	0	0	0	0	113.6
235	A	42.3	Very low	44	Very low	98 Å²	98	134.7 Å²	134.7	81%	0.81	81%	0.805	S	S	*	*			trans	99.7	136.5	144.6	0	0	0	0	0	120.5
236	A	41.2	Very low	44	Very low	102 Å²	102	131.6 Å²	131.6	84%	0.843	80%	0.802	S	S	*	*			trans	78.1	147.4	159.5	0	0	0	0	0	118
237	A	44.3	Very low	44.2	Very low	84 Å²	84	130.3 Å²	130.3	69%	0.694	80%	0.799	S	S	*	*			cis	179.5	161.7	-22.6	0	0	0	0	0	105.8
238	V	50.6	Low	44.6	Very low	144 Å²	144	134.7 Å²	134.7	87%	0.873	80%	0.798	S	S	*	*			trans	91.5	131.9	153.2	-159.5	0	0	0	0	119.7
239	K	43	Very low	44.8	Very low	200 Å²	200	140.2 Å²	140.2	87%	0.87	81%	0.807	S	S	*	*			trans	-67.9	158.6	-178.2	-64	160.7	169.1	174.7	0	115.4
240	A	49.3	Very low	45.3	Very low	93 Å²	93	139 Å²	139	77%	0.769	81%	0.805	S	S	*	*			trans	166.2	118.5	133.3	0	0	0	0	0	108.3
241	D	45.3	Very low	45.9	Very low	147 Å²	147	141 Å²	141	79%	0.786	80%	0.8	S	S	*	*				87.2	145.6	94.8	-152	77.3	0	0	0	111.2
242	E	50	Low	46.1	Very low	141 Å²	141	142.6 Å²	142.6	66%	0.659	80%	0.795	S	S	*	*			cis	-165.9	156.6	-30	-162.6	-171	117.8	0	0	104.6
243	T	49.8	Very low	46.4	Very low	112 Å²	112	137.8 Å²	137.8	69%	0.687	79%	0.789	S	S	*	*			trans	66.5	156.7	158	71.9	0	0	0	0	120.1
244	V	48.2	Very low	47	Very low	123 Å²	123	142.8 Å²	142.8	75%	0.745	79%	0.792	S	S	*	*			cis	-172.4	138.9	-13.8	141.5	0	0	0	0	103.3
245	S	47.5	Very low	47.6	Very low	122 Å²	122	144 Å²	144	85%	0.853	79%	0.789	S	S	*	*			trans	-177.2	124.5	133.4	-87.2	0	0	0	0	113
246	N	43.5	Very low	47.8	Very low	142 Å²	142	145.9 Å²	145.9	76%	0.759	79%	0.786	S	S	*	*			trans	-82.4	169.7	-174.6	-100.3	-18	0	0	0	114.1
247	E	46.9	Very low	48.1	Very low	160 Å²	160	149.7 Å²	149.7	75%	0.748	79%	0.786	S	S	*	*			trans	80	108.4	142.7	-90.2	166.7	90.1	0	0	120.3
248	K	47.6	Very low	48.5	Very low	197 Å²	197	154.7 Å²	154.7	86%	0.857	79%	0.792	S	S	*	*				177.1	125.6	102.1	-97.5	165	-176.4	166.4	0	111.7
249	K	48.8	Very low	48.5	Very low	198 Å²	198	158 Å²	158	86%	0.861	79%	0.794	S	S	*	*				143.4	97.5	114.2	-158	157.8	-175.2	174.6	0	113.1
250	V	48	Very low	49	Very low	144 Å²	144	158.4 Å²	158.4	87%	0.873	80%	0.796	S	S	*	*			trans	-95.1	136.5	162.8	170.2	0	0	0	0	109.2
251	K	53.7	Low	49.2	Very low	152 Å²	152	163.5 Å²	163.5	66%	0.661	80%	0.801	S	S	*	*			trans	-176.9	129.2	160.6	-111.7	179.8	-173.9	-176.9	0	104.9
252	R	50.1	Low	49.4	Very low	198 Å²	198	163 Å²	163	75%	0.747	80%	0.803	S	S	*	*			cis	-172	132.2	11.9	-131.3	171.2	-154.3	147.5	-8.9	104.6
253	D	46.9	Very low	49.5	Very low	161 Å²	161	160.3 Å²	160.3	86%	0.861	81%	0.805	S	S	*	*			trans	-87.4	165	162.3	-84.7	-45.1	0	0	0	110.1
254	E	50.4	Low	49.6	Very low	179 Å²	179	160.7 Å²	160.7	84%	0.836	81%	0.807	S	S	*	*			trans	119.2	140.4	147.8	-154.8	168	173	0	0	117.4
255	T	52.1	Low	49.7	Very low	127 Å²	127	166.7 Å²	166.7	78%	0.779	82%	0.816	S	S	*	*			trans	87.1	128.2	176.6	71.3	0	0	0	0	115.4
256	D	46.3	Very low	50.3	Low	138 Å²	138	166 Å²	166	74%	0.738	81%	0.812	S	S	*	*			cis	-162	133	13.7	-153.3	-32.4	0	0	0	109.2
257	E	47.3	Very low	50.6	Low	182 Å²	182	168.1 Å²	168.1	85%	0.85	82%	0.817	S	S	*	*			trans	-93.4	106	169.2	173.6	164	-177.6	0	0	108.2
258	K	52.6	Low	50.9	Low	188 Å²	188	166 Å²	166	82%	0.817	82%	0.817	S	S	*	*			trans	-176.5	109.2	160.4	-105.7	154.5	-171.6	169.9	0	111.4
259	K	52.3	Low	51.2	Low	213 Å²	213	166.9 Å²	166.9	93%	0.926	84%	0.839	S	S	*	*			trans	-173.5	77.1	137.3	-99.7	164.1	-170.2	-175.1	0	110.2
260	K	51.6	Low	51.3	Low	209 Å²	209	165.3 Å²	165.3	91%	0.909	84%	0.837	S	S	*	*			trans	-99.7	110.8	144.6	-91.1	179.4	175	174.4	0	107.2
261	K	53.6	Low	51.4	Low	200 Å²	200	166.4 Å²	166.4	87%	0.87	84%	0.836	S	S	*	*			trans	-135	101.6	154.4	-82.6	-173.7	173.5	-176.7	0	102.9
262	V	50.2	Low	51.3	Low	137 Å²	137	167.2 Å²	167.2	83%	0.83	85%	0.845	S	S	*	*				50.6	103	77.3	-174.5	0	0	0	0	112.1
263	A	52.5	Low	51.4	Low	85 Å²	85	165.4 Å²	165.4	70%	0.702	85%	0.851	S	S	*	*			trans	160.4	86.8	146	0	0	0	0	0	105.4
264	V	51.6	Low	51.7	Low	120 Å²	120	165.7 Å²	165.7	73%	0.727	85%	0.85	S	S	*	*				37.5	104	85.1	179.8	0	0	0	0	110.4
265	W	51.4	Low	51.8	Low	248 Å²	248	164.8 Å²	164.8	94%	0.939	85%	0.851	S	S	*	*				-157.6	137.5	129.9	-85	96	0	0	0	108
266	S	58.5	Low	51.7	Low	109 Å²	109	167.5 Å²	167.5	76%	0.762	86%	0.857	S	S	*	*			trans	-68.5	149.1	-161.6	-48.7	0	0	0	0	116.9
267	E	50.2	Low	52.2	Low	185 Å²	185	169.8 Å²	169.8	86%	0.864	87%	0.866	S	S	*	*			trans	-81.9	172.9	138.9	-72.9	-176.9	159.2	0	0	108.8
268	P	54.2	Low	52.6	Low	115 Å²	115	168.8 Å²	168.8	75%	0.747	87%	0.867	S	S	*	*			cis	-133.1	165.9	-17.5	32.1	-12.7	0	0	0	114.1
269	V	52	Low	52.6	Low	216 Å²	216	167 Å²	167	100%	1.309	87%	0.871	S	S	*	*				-147.2	0	128	172.9	0	0	0	0	106.5

Retrieved 269 of 269 residues in 524.6 ms (Link to these results)

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