G7PA61_MACFA Loading...

Pre-mRNA-processing factor 39

Involved in pre-mRNA splicing.

AlphaFold DB , UniProt , Accession G7PA61, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene n/a, Length 669 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	30.3	Very low	28.5	Very low	238 Å²	238	171.1 Å²	171.1	100%	1.172	82%	0.817	S	S	*	*				0	117.4	0	-85.8	174.7	166.5	0	0	107.5
2	Q	29.1	Very low	28.3	Very low	179 Å²	179	164.8 Å²	164.8	84%	0.836	80%	0.804	S	S	*	*			trans	45.4	113.2	155.1	-77.9	164.7	-17.7	0	0	119.1
3	N	28.4	Very low	28	Very low	151 Å²	151	160.4 Å²	160.4	81%	0.807	80%	0.8	S	S	*	*				69.3	142.6	89.1	-90.1	17.4	0	0	0	112.4
4	S	30.7	Very low	28	Very low	80 Å²	80	160.9 Å²	160.9	56%	0.559	81%	0.807	S	S	*	*			cis	166.4	156.6	-8	50.4	0	0	0	0	105.3
5	H	29.7	Very low	27.8	Very low	166 Å²	166	155.4 Å²	155.4	77%	0.769	81%	0.808	S	S	*	*			trans	81.2	122	161.5	-65.5	-52.3	0	0	0	119.8
6	M	28.3	Very low	27.6	Very low	152 Å²	152	153.3 Å²	153.3	75%	0.749	81%	0.81	S	S	*	*				77.6	108.4	62.6	-134.2	170.8	172.7	0	0	112.3
7	D	28.5	Very low	27.7	Very low	141 Å²	141	152.6 Å²	152.6	75%	0.754	81%	0.814	S	S	*	*				167.6	154.6	108.6	-94.1	-30.2	0	0	0	114.5
8	E	29.1	Very low	27.6	Very low	164 Å²	164	148.2 Å²	148.2	77%	0.766	81%	0.81	S	S	*	*			trans	-65.3	161.7	-173.1	-55	172.2	131.5	0	0	115.8
9	Y	26.3	Very low	27.5	Very low	241 Å²	241	149.3 Å²	149.3	95%	0.945	82%	0.815	S	S	*	*			trans	-159.3	144.3	130.7	-104.4	-74.5	0	0	0	112.9
10	R	26.3	Very low	27.3	Very low	223 Å²	223	147.4 Å²	147.4	84%	0.842	81%	0.813	S	S	*	*			trans	-76.5	162.2	-170.1	-70.9	171.6	164.1	168	-6.2	116.4
11	N	26.8	Very low	27.2	Very low	147 Å²	147	145.6 Å²	145.6	79%	0.786	81%	0.811	S	S	*	*				116.6	119.5	123.1	-107.7	13.2	0	0	0	119.2
12	S	25.6	Very low	26.9	Very low	95 Å²	95	143 Å²	143	66%	0.664	80%	0.796	S	S	*	*				130.6	103.6	127.5	-66.1	0	0	0	0	116.1
13	S	25.6	Very low	26.6	Very low	108 Å²	108	140.5 Å²	140.5	76%	0.755	79%	0.793	S	S	*	*				52.8	109.8	123.2	-35.5	0	0	0	0	119.9
14	N	27.2	Very low	26.4	Very low	167 Å²	167	139 Å²	139	89%	0.893	79%	0.789	S	S	*	*				-166.1	128.2	116.9	-104.4	-11	0	0	0	111.1
15	G	24.4	Very low	26	Very low	79 Å²	79	140.4 Å²	140.4	81%	0.814	79%	0.793	S	S	*	*			trans	-75.7	149.8	174.7	0	0	0	0	0	112
16	S	26	Very low	25.7	Very low	121 Å²	121	140.8 Å²	140.8	85%	0.846	80%	0.796	S	S	*	*			trans	-153.5	125.8	146.5	-159.3	0	0	0	0	108.9
17	T	27.9	Very low	25.5	Very low	143 Å²	143	141.3 Å²	141.3	88%	0.877	80%	0.796	S	S	*	*			trans	-59.9	134	174.2	41.3	0	0	0	0	111.9
18	G	26.3	Very low	25.4	Very low	72 Å²	72	140.4 Å²	140.4	74%	0.742	80%	0.798	S	S	*	*			trans	-162.3	109.5	168.3	0	0	0	0	0	110.9	S20	G18-S20 PolarHBondContact O-N 2.86Å
19	N	25.5	Very low	25.4	Very low	170 Å²	170	137.8 Å²	137.8	91%	0.909	79%	0.793	S	S	*	*			trans	-45.6	120.1	172.3	-92.9	-11.4	0	0	0	111.9
20	S	23.8	Very low	25.6	Very low	110 Å²	110	130.7 Å²	130.7	77%	0.769	77%	0.771	S	S	*	*			trans	-92.4	106.2	157.9	53.8	0	0	0	0	108.3	G18 E22	G18-S20 PolarHBondContact O-N 2.86Å; S20-E22 PolarHBondContact O-N 2.89Å
21	S	25.6	Very low	26	Very low	110 Å²	110	122.6 Å²	122.6	77%	0.769	74%	0.743	S	S	*	*			trans	-66.3	117.8	163.4	-44.5	0	0	0	0	107.8	V23	S21-V23 PolarHBondContact O-N 3.19Å
22	E	23.6	Very low	26.2	Very low	183 Å²	183	115.9 Å²	115.9	86%	0.855	71%	0.707	S	S	*	*			trans	-60.6	119	171.4	-76.8	174.6	148.6	0	0	109.3	S20 V24	S20-E22 PolarHBondContact O-N 2.89Å; E22-V24 PolarHBondContact O-N 3.4Å
23	V	23.4	Very low	26.6	Very low	128 Å²	128	114 Å²	114	78%	0.776	69%	0.692	S	S	*	*			trans	-78.4	105.2	162.9	177	0	0	0	0	105.8	S21 V25	S21-V23 PolarHBondContact O-N 3.19Å; V23-V25 HydrophobicContact CG1-CG2 4.22Å; V23-V25 PolarHBondContact O-N 2.84Å; V23-V25 VanDerWaalsContact O-N 3.08Å
24	V	22.8	Very low	27.1	Very low	120 Å²	120	113 Å²	113	73%	0.727	68%	0.675	S	S	*	*			trans	-67.1	102.9	165.9	178.8	0	0	0	0	106.4	E22 E26	E22-V24 PolarHBondContact O-N 3.4Å; V24-E26 HydrophobicContact CG1-CG 4.42Å; V24-E26 PolarHBondContact O-N 3.21Å
25	V	23.2	Very low	27.7	Very low	108 Å²	108	106.7 Å²	106.7	66%	0.655	64%	0.641	S	S	*	*			trans	-77.8	100.2	165.8	177.7	0	0	0	0	105.7	V23 H27	V23-V25 HydrophobicContact CG1-CG2 4.22Å; V23-V25 PolarHBondContact O-N 2.84Å; V23-V25 VanDerWaalsContact O-N 3.08Å; V25-H27 PolarHBondContact O-N 3.29Å
26	E	24.1	Very low	28.3	Very low	174 Å²	174	105.4 Å²	105.4	81%	0.813	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-61.9	119.3	165.2	-78.1	-178.3	159.3	0	0	108.2	V24	V24-E26 HydrophobicContact CG1-CG 4.42Å; V24-E26 PolarHBondContact O-N 3.21Å
27	H	23.5	Very low	28.7	Very low	164 Å²	164	104 Å²	104	76%	0.759	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-67.7	139.1	167.2	-76.6	-70.1	0	0	0	108.9	V25 T29	V25-H27 PolarHBondContact O-N 3.29Å; H27-T29 PolarHBondContact O-N 3.47Å
28	P	25.7	Very low	29.1	Very low	122 Å²	122	99.7 Å²	99.7	79%	0.792	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-62.4	126.8	175.1	26.7	-31.9	0	0	0	108.8
29	T	28.8	Very low	29.6	Very low	109 Å²	109	98.6 Å²	98.6	67%	0.669	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-57.9	136.5	171.2	36.8	0	0	0	0	109.8	H27 F31	H27-T29 PolarHBondContact O-N 3.47Å; T29-F31 PolarHBondContact O-N 3.06Å
30	D	31.7	Very low	29.7	Very low	91 Å²	91	98 Å²	98	49%	0.487	54%	0.542	S	S	.	.			trans	-77.3	87.1	-173.8	-168.7	-1.4	0	0	0	110.6	S32 T33	D30-S32 PolarHBondContact O-N 2.76Å; D30-S32 VanDerWaalsContact O-N 3.12Å; D30-T33 WeakPolarHBondContact O-CA 3.4Å; D30-T33 VanDerWaalsContact O-CB 3.26Å; D30-T33 WeakPolarHBondContact O-CB 3.34Å; D30-T33 PolarHBondContact O-N 3.39Å; D30-T33 PolarHBondContact O-OG1 3.19Å
31	F	33.5	Very low	30.1	Very low	54 Å²	54	96.6 Å²	96.6	24%	0.237	52%	0.524	C	S	.	.	H	α-helix	trans	-57.3	-22.1	-176.3	-158.6	-95.7	0	0	0	114.1	T29 T33 E34 I35 E370	T29-F31 PolarHBondContact O-N 3.06Å; F31-T33 PolarHBondContact O-N 2.91Å; F31-E34 VanDerWaalsContact CD2-OE2 3.32Å; F31-E34 WeakPolarHBondContact CD2-OE2 3.18Å; F31-E34 PolarHBondContact O-N 2.98Å; F31-E34 VanDerWaalsContact O-N 3.07Å; F31-I35 HydrophobicContact CD1-CD1 4.04Å; F31-I35 HydrophobicContact CD1-CG1 4.12Å; F31-I35 HydrophobicContact CE1-CD1 4.05Å; F31-I35 HydrophobicContact CE1-CG1 4.05Å; F31-I35 PolarHBondContact O-N 3.2Å; F31-E370 HydrophobicContact CB-CG 3.87Å; F31-E370 WeakPolarHBondContact CB-OE1 3.38Å; F31-E370 HydrophobicContact CD1-CB 4.4Å; F31-E370 HydrophobicContact CD1-CG 3.84Å; F31-E370 HydrophobicContact CG-CG 4.06Å
32	S	33	Very low	30.3	Very low	6 Å²	6	100.5 Å²	100.5	4%	0.042	53%	0.53	C	S	.	.	H	α-helix	trans	-61.5	-33.5	170.9	-85.4	0	0	0	0	111.8	D30 M36 H369	D30-S32 PolarHBondContact O-N 2.76Å; D30-S32 VanDerWaalsContact O-N 3.12Å; S32-M36 WeakPolarHBondContact O-CE 3.41Å; S32-M36 WeakPolarHBondContact O-CG 3.41Å; S32-M36 PolarHBondContact O-N 3.45Å; S32-H369 PolarHBondContact OG-NE2 2.98Å
33	T	32.6	Very low	30.5	Very low	56 Å²	56	100.8 Å²	100.8	34%	0.344	53%	0.531	S	S	.	.	H	α-helix	trans	-74.1	-30.9	174	-31.8	0	0	0	0	111	D30 F31 M36 N37	D30-T33 WeakPolarHBondContact O-CA 3.4Å; D30-T33 VanDerWaalsContact O-CB 3.26Å; D30-T33 WeakPolarHBondContact O-CB 3.34Å; D30-T33 PolarHBondContact O-N 3.39Å; D30-T33 PolarHBondContact O-OG1 3.19Å; F31-T33 PolarHBondContact O-N 2.91Å; T33-M36 CarbonylContact O-C 3.43Å; T33-M36 PolarHBondContact O-N 2.81Å; T33-N37 WeakPolarHBondContact O-CA 3.44Å; T33-N37 WeakPolarHBondContact O-CB 3.45Å; T33-N37 PolarHBondContact O-N 3.29Å; T33-N37 PolarHBondContact O-OD1 3.06Å
34	E	37.2	Very low	30.7	Very low	86 Å²	86	100.1 Å²	100.1	40%	0.402	53%	0.532	S	S	.	.	H	α-helix	trans	-72	-42.8	176.3	-73	179.1	178.7	0	0	111.9	F31 M36 N37 V38	F31-E34 VanDerWaalsContact CD2-OE2 3.32Å; F31-E34 WeakPolarHBondContact CD2-OE2 3.18Å; F31-E34 PolarHBondContact O-N 2.98Å; F31-E34 VanDerWaalsContact O-N 3.07Å; E34-M36 PolarHBondContact O-N 2.92Å; E34-N37 CarbonylContact O-C 3.55Å; E34-N37 PolarHBondContact O-N 3.29Å; E34-N37 VanDerWaalsContact O-N 3.1Å; E34-V38 WeakPolarHBondContact O-CB 3.49Å; E34-V38 WeakPolarHBondContact O-CG2 3.29Å; E34-V38 PolarHBondContact O-N 3.36Å
35	I	39.3	Very low	31	Very low	35 Å²	35	100.5 Å²	100.5	18%	0.179	54%	0.537	C	S	.	.	H	α-helix	trans	-59.7	-35.2	171.2	-64.7	174.5	0	0	0	111	F31 V373 V374	F31-I35 HydrophobicContact CD1-CD1 4.04Å; F31-I35 HydrophobicContact CD1-CG1 4.12Å; F31-I35 HydrophobicContact CE1-CD1 4.05Å; F31-I35 HydrophobicContact CE1-CG1 4.05Å; F31-I35 PolarHBondContact O-N 3.2Å; I35-V373 HydrophobicContact CD1-CG1 4.34Å; I35-V374 HydrophobicContact CD1-CG2 4.1Å
36	M	37.9	Very low	31.1	Very low	51 Å²	51	103.7 Å²	103.7	25%	0.251	55%	0.551	S	S	.	*	H	α-helix	trans	-74.8	-33.9	174.7	-71.3	-170.4	-82	0	0	112.9	S32 T33 E34 T39 H407	S32-M36 WeakPolarHBondContact O-CE 3.41Å; S32-M36 WeakPolarHBondContact O-CG 3.41Å; S32-M36 PolarHBondContact O-N 3.45Å; T33-M36 CarbonylContact O-C 3.43Å; T33-M36 PolarHBondContact O-N 2.81Å; E34-M36 PolarHBondContact O-N 2.92Å; M36-T39 PolarHBondContact O-OG1 3.13Å; M36-H407 HydrophobicContact SD-CB 4.44Å
37	N	33.3	Very low	31.1	Very low	93 Å²	93	102.6 Å²	102.6	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-86.8	-18	-179.8	-73.3	-4.2	0	0	0	113.7	T33 E34 T39 E40	T33-N37 WeakPolarHBondContact O-CA 3.44Å; T33-N37 WeakPolarHBondContact O-CB 3.45Å; T33-N37 PolarHBondContact O-N 3.29Å; T33-N37 PolarHBondContact O-OD1 3.06Å; E34-N37 CarbonylContact O-C 3.55Å; E34-N37 PolarHBondContact O-N 3.29Å; E34-N37 VanDerWaalsContact O-N 3.1Å; N37-T39 PolarHBondContact O-N 3.32Å; N37-E40 PolarHBondContact O-N 3.45Å
38	V	36.9	Very low	31.1	Very low	51 Å²	51	100 Å²	100	31%	0.309	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.9	-10.2	169.4	168	0	0	0	0	111	E34 E40 A198	E34-V38 WeakPolarHBondContact O-CB 3.49Å; E34-V38 WeakPolarHBondContact O-CG2 3.29Å; E34-V38 PolarHBondContact O-N 3.36Å; V38-E40 VanDerWaalsContact C-N 3.3Å; V38-A198 HydrophobicContact CG1-CB 4.27Å
39	T	35.4	Very low	31.2	Very low	50 Å²	50	100 Å²	100	31%	0.307	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.7	-10.7	168.5	64.9	0	0	0	0	114.6	M36 N37 Q157	M36-T39 PolarHBondContact O-OG1 3.13Å; N37-T39 PolarHBondContact O-N 3.32Å; T39-Q157 HydrophobicContact CG2-CG 4.14Å; T39-Q157 PolarHBondContact O-NE2 2.86Å
40	E	28.4	Very low	31	Very low	157 Å²	157	101.6 Å²	101.6	73%	0.734	56%	0.555	S	S	*	*			trans	-104.7	87.5	173.6	-68.8	-172	165.6	0	0	109.8	N37 V38 E42	N37-E40 PolarHBondContact O-N 3.45Å; V38-E40 VanDerWaalsContact C-N 3.3Å; E40-E42 PolarHBondContact O-N 2.97Å
41	M	31.4	Very low	30.7	Very low	81 Å²	81	104 Å²	104	40%	0.399	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-69.8	118.7	163.7	-78.1	-176.5	69.7	0	0	108.8	Q43 R153	M41-Q43 PolarHBondContact O-N 3.21Å; M41-R153 VanDerWaalsContact CE-CD 3.41Å; M41-R153 HydrophobicContact CE-CG 3.97Å; M41-R153 HydrophobicContact SD-CB 4.15Å; M41-R153 VanDerWaalsContact SD-CD 3.56Å; M41-R153 HydrophobicContact SD-CG 3.62Å
42	E	30.9	Very low	30.2	Very low	191 Å²	191	107.9 Å²	107.9	89%	0.893	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-54.6	132.4	178.3	-68.8	-167.7	147.6	0	0	112	E40	E40-E42 PolarHBondContact O-N 2.97Å
43	Q	27.4	Very low	29.8	Very low	189 Å²	189	111.9 Å²	111.9	88%	0.883	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-78.1	125.6	166.4	-66.4	176.1	-0.7	0	0	108.6	M41	M41-Q43 PolarHBondContact O-N 3.21Å
44	S	26.9	Very low	29.3	Very low	115 Å²	115	114.9 Å²	114.9	80%	0.804	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-63.3	154.8	172.9	-59	0	0	0	0	112.3
45	P	28.9	Very low	28.8	Very low	128 Å²	128	117.2 Å²	117.2	83%	0.831	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-86.4	137.9	-156.6	33.5	-32.7	0	0	0	113.1
46	D	25.4	Very low	28	Very low	175 Å²	175	125 Å²	125	94%	0.936	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-91.1	125.3	170.3	-131.2	-4.4	0	0	0	109.5
47	D	23.9	Very low	27.5	Very low	151 Å²	151	131.9 Å²	131.9	81%	0.807	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-91.5	142.7	-173.7	-122	-22.4	0	0	0	111.9
48	S	24.8	Very low	27	Very low	108 Å²	108	133.2 Å²	133.2	76%	0.755	76%	0.757	S	S	*	*			trans	99.9	153.1	158.8	-39.5	0	0	0	0	118.5
49	P	28.1	Very low	26.5	Very low	124 Å²	124	139.5 Å²	139.5	81%	0.805	78%	0.783	S	S	*	*				-123.5	165.2	-87.5	23.7	-1.5	0	0	0	114.3
50	N	23.1	Very low	26	Very low	141 Å²	141	146.3 Å²	146.3	75%	0.754	81%	0.814	S	S	*	*			trans	-55.5	134.9	-178	-152.7	1.5	0	0	0	115.6
51	V	25.3	Very low	26.1	Very low	142 Å²	142	143.8 Å²	143.8	86%	0.861	82%	0.82	S	S	*	*			trans	-140.2	126.6	154.7	-169.3	0	0	0	0	110.2
52	N	23.7	Very low	25.8	Very low	135 Å²	135	144.5 Å²	144.5	72%	0.722	83%	0.832	S	S	*	*			trans	-71.4	150.4	-173.4	-86.8	-30.8	0	0	0	116.4
53	A	24.2	Very low	26	Very low	91 Å²	91	140.7 Å²	140.7	75%	0.752	83%	0.834	S	S	*	*			trans	67.9	119.3	138.6	0	0	0	0	0	120.7
54	S	22.8	Very low	26.1	Very low	118 Å²	118	137.2 Å²	137.2	83%	0.825	83%	0.825	S	S	*	*				168.4	144.7	91.5	53.3	0	0	0	0	112.1
55	T	25.9	Very low	26.2	Very low	136 Å²	136	139.2 Å²	139.2	83%	0.834	83%	0.827	S	S	*	*			trans	-55.5	140.4	173.3	17.4	0	0	0	0	114.9
56	E	24.2	Very low	26.2	Very low	199 Å²	199	140 Å²	140	93%	0.93	82%	0.823	S	S	*	*			trans	-170.1	134.3	137.5	-106.6	170.8	-160.1	0	0	111.5
57	E	25.8	Very low	26.4	Very low	195 Å²	195	137.1 Å²	137.1	91%	0.911	81%	0.814	S	S	*	*			trans	-75.7	140.5	172.9	-67.5	174.2	144.3	0	0	111.2
58	S	24.1	Very low	26.8	Very low	121 Å²	121	135 Å²	135	85%	0.846	81%	0.806	S	S	*	*			trans	-171.8	135	138.6	-173.8	0	0	0	0	111.8
59	E	26.6	Very low	27.1	Very low	183 Å²	183	136 Å²	136	86%	0.855	81%	0.808	S	S	*	*			trans	-57.3	137.9	168.9	-60.1	173.9	140.1	0	0	112.7
60	M	23.8	Very low	27.7	Very low	193 Å²	193	137 Å²	137	95%	0.951	81%	0.806	S	S	*	*				-179.6	145	120.1	-112.9	-176.3	174.1	0	0	111.7
61	A	30.8	Very low	28.5	Very low	104 Å²	104	136.1 Å²	136.1	86%	0.86	81%	0.806	S	S	*	*			trans	-55.3	133	179.3	0	0	0	0	0	114.3
62	S	24.9	Very low	28.9	Very low	95 Å²	95	138.2 Å²	138.2	66%	0.664	81%	0.806	S	S	*	*			trans	-150.4	113	142.4	69.7	0	0	0	0	109.1	V64	S62-V64 PolarHBondContact O-N 2.92Å; S62-V64 VanDerWaalsContact O-N 3.17Å
63	A	35.3	Very low	29.8	Very low	111 Å²	111	138.1 Å²	138.1	92%	0.917	81%	0.81	S	S	*	*			trans	-59.2	113.3	161.8	0	0	0	0	0	107.8
64	V	28.7	Very low	30.8	Very low	117 Å²	117	142.5 Å²	142.5	71%	0.709	82%	0.816	S	S	*	*			trans	-106.4	106.8	168.6	-175.9	0	0	0	0	106.3	S62 L66	S62-V64 PolarHBondContact O-N 2.92Å; S62-V64 VanDerWaalsContact O-N 3.17Å; V64-L66 PolarHBondContact O-N 3.02Å; V64-L66 VanDerWaalsContact O-N 3.14Å
65	D	30.1	Very low	32.1	Very low	156 Å²	156	141 Å²	141	83%	0.834	81%	0.81	S	S	*	*			trans	-47.3	110.5	165.6	-97.1	-31.8	0	0	0	110
66	L	29.1	Very low	34.4	Very low	145 Å²	145	141 Å²	141	76%	0.759	81%	0.805	S	S	*	*			trans	-86.8	126	149.7	-79.9	155.7	0	0	0	105.9	V64 V68	V64-L66 PolarHBondContact O-N 3.02Å; V64-L66 VanDerWaalsContact O-N 3.14Å; L66-V68 VanDerWaalsContact C-N 3.32Å; L66-V68 PolarHBondContact O-N 3.43Å
67	P	30.1	Very low	37.4	Very low	114 Å²	114	134.2 Å²	134.2	74%	0.74	77%	0.773	S	S	*	*			trans	-69.8	96.3	179.8	27.8	-30.4	0	0	0	108.4	T69	P67-T69 VanDerWaalsContact C-N 3.3Å; P67-T69 PolarHBondContact O-N 2.89Å
68	V	31.7	Very low	40.4	Very low	106 Å²	106	125.6 Å²	125.6	64%	0.642	73%	0.733	S	S	*	*			trans	-67.3	94	160.7	178	0	0	0	0	106.1	L66 L70	L66-V68 VanDerWaalsContact C-N 3.32Å; L66-V68 PolarHBondContact O-N 3.43Å; V68-L70 HydrophobicContact CG1-CB 3.63Å; V68-L70 HydrophobicContact CG1-CD1 3.41Å; V68-L70 VanDerWaalsContact CG1-CD1 3.41Å; V68-L70 HydrophobicContact CG1-CG 3.38Å; V68-L70 PolarHBondContact O-N 2.97Å
69	T	31.2	Very low	43.1	Very low	130 Å²	130	125.9 Å²	125.9	80%	0.798	73%	0.732	S	S	*	*			trans	-72.2	70.5	160.9	43.8	0	0	0	0	108.7	P67	P67-T69 VanDerWaalsContact C-N 3.3Å; P67-T69 PolarHBondContact O-N 2.89Å
70	L	39.8	Very low	46.2	Very low	146 Å²	146	121.6 Å²	121.6	76%	0.764	71%	0.712	S	S	*	*			trans	-103.4	63	160.8	-76.9	173	0	0	0	108.4	V68	V68-L70 HydrophobicContact CG1-CB 3.63Å; V68-L70 HydrophobicContact CG1-CD1 3.41Å; V68-L70 VanDerWaalsContact CG1-CD1 3.41Å; V68-L70 HydrophobicContact CG1-CG 3.38Å; V68-L70 PolarHBondContact O-N 2.97Å
71	T	39.7	Very low	49.5	Very low	121 Å²	121	112.4 Å²	112.4	74%	0.742	67%	0.667	S	S	*	*			trans	-156.4	88.9	167.1	48.9	0	0	0	0	107.8
72	E	35.5	Very low	52.5	Low	187 Å²	187	112.8 Å²	112.8	87%	0.874	65%	0.651	S	S	*	*	S	Bend	trans	175.8	5.4	149.7	-99.3	171.3	-163.2	0	0	117.4
73	T	41.9	Very low	55.8	Low	132 Å²	132	115 Å²	115	81%	0.81	65%	0.649	S	S	*	*	S	Bend	trans	-106.4	1.9	-178.6	39.5	0	0	0	0	117.3	A75	T73-A75 PolarHBondContact O-N 3.49Å
74	E	44.6	Very low	58.7	Low	184 Å²	184	111.7 Å²	111.7	86%	0.86	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-6.7	174.1	-74.2	-169.3	155.4	0	0	114
75	A	49.8	Very low	61.9	Low	85 Å²	85	107.4 Å²	107.4	70%	0.702	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-0.8	-163	0	0	0	0	0	117.1	T73	T73-A75 PolarHBondContact O-N 3.49Å
76	N	74.8	Confident	65	Low	138 Å²	138	105.9 Å²	105.9	74%	0.738	57%	0.571	S	S	*	*			trans	-137.6	38.3	-173.9	-99.9	-8.8	0	0	0	114.7	H110	N76-H110 PolarHBondContact O-NE2 3.01Å
77	F	86.7	Confident	68.2	Low	56 Å²	56	101.9 Å²	101.9	25%	0.246	55%	0.552	C	S	.	*			trans	-69.8	149.3	168.4	-75.9	-86.8	0	0	0	111.4	Y81 A113 K116	F77-Y81 HydrophobicContact CB-CD1 4.05Å; F77-Y81 HydrophobicContact CB-CG 4.31Å; F77-Y81 AromaticContact CD1-CD1 3.58Å; F77-Y81 HydrophobicContact CD1-CD1 3.58Å; F77-Y81 HydrophobicContact CD1-CD2 4.37Å; F77-Y81 AromaticContact CD1-CE1 3.61Å; F77-Y81 HydrophobicContact CD1-CE1 3.61Å; F77-Y81 HydrophobicContact CD1-CE2 4.39Å; F77-Y81 AromaticContact CD1-CG 3.97Å; F77-Y81 HydrophobicContact CD1-CG 3.97Å; F77-Y81 HydrophobicContact CE1-CD1 4.3Å; F77-Y81 AromaticContact CE1-CE1 3.84Å; F77-Y81 HydrophobicContact CE1-CE1 3.84Å; F77-Y81 AromaticContact CG-CD1 3.96Å; F77-Y81 HydrophobicContact CG-CD1 3.96Å; F77-Y81 HydrophobicContact CG-CE1 4.27Å; F77-Y81 HydrophobicContact CG-CG 4.49Å; F77-A113 HydrophobicContact CD1-CB 3.63Å; F77-A113 HydrophobicContact CE1-CB 3.77Å; F77-K116 HydrophobicContact CZ-CD 4.46Å
78	P	88.6	Confident	71.4	Confident	13 Å²	13	96.5 Å²	96.5	8%	0.084	52%	0.517	C	S	.	.			trans	-55.7	148.2	176	-26.2	34.9	0	0	0	112.9	E80 Y81 Y104 E108 H110	P78-E80 PolarHBondContact O-N 3.35Å; P78-Y81 WeakPolarHBondContact O-CB 3.18Å; P78-Y81 PolarHBondContact O-N 3.49Å; P78-Y104 HydrophobicContact CB-CE1 3.84Å; P78-Y104 WeakPolarHBondContact CB-OH 3.25Å; P78-E108 HydrophobicContact CB-CB 4.3Å; P78-E108 HydrophobicContact CB-CG 3.9Å; P78-E108 HydrophobicContact CG-CB 3.99Å; P78-E108 HydrophobicContact CG-CG 4.14Å; P78-H110 HydrophobicContact CG-CB 3.79Å
79	P	82.2	Confident	74.3	Confident	128 Å²	128	97.3 Å²	97.3	83%	0.831	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.5	-164.9	24.1	-34.1	0	0	0	115.3
80	E	91.2	Very high	77.3	Confident	93 Å²	93	97 Å²	97	44%	0.435	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-0.7	174.1	-59.3	-164.7	-165.9	0	0	113.8	P78 E82 K83 F84 Y104	P78-E80 PolarHBondContact O-N 3.35Å; E80-E82 VanDerWaalsContact C-N 3.34Å; E80-E82 PolarHBondContact O-N 3.36Å; E80-K83 WeakPolarHBondContact O-CB 3.49Å; E80-K83 PolarHBondContact O-N 3.05Å; E80-K83 VanDerWaalsContact O-N 3.14Å; E80-F84 HydrophobicContact CB-CD2 4.16Å; E80-F84 HydrophobicContact CB-CE2 3.9Å; E80-F84 VanDerWaalsContact O-CD2 3.25Å; E80-F84 WeakPolarHBondContact O-CD2 3.37Å; E80-F84 PolarHBondContact O-N 3.49Å; E80-Y104 HydrophobicContact CB-CE1 4.29Å; E80-Y104 HydrophobicContact CB-CE2 4.14Å; E80-Y104 PolarHBondContact N-OH 3.06Å; E80-Y104 VanDerWaalsContact N-OH 3.14Å
81	Y	93.8	Very high	79.8	Confident	0 Å²	0	93.2 Å²	93.2	0%	0	49%	0.488	C	S	.	.	H	α-helix	trans	-55.9	-48.2	-176.4	178.5	-98.3	0	0	0	111.9	F77 P78 K83 F84 W85 L101 V105 A113 K116	F77-Y81 HydrophobicContact CB-CD1 4.05Å; F77-Y81 HydrophobicContact CB-CG 4.31Å; F77-Y81 AromaticContact CD1-CD1 3.58Å; F77-Y81 HydrophobicContact CD1-CD1 3.58Å; F77-Y81 HydrophobicContact CD1-CD2 4.37Å; F77-Y81 AromaticContact CD1-CE1 3.61Å; F77-Y81 HydrophobicContact CD1-CE1 3.61Å; F77-Y81 HydrophobicContact CD1-CE2 4.39Å; F77-Y81 AromaticContact CD1-CG 3.97Å; F77-Y81 HydrophobicContact CD1-CG 3.97Å; F77-Y81 HydrophobicContact CE1-CD1 4.3Å; F77-Y81 AromaticContact CE1-CE1 3.84Å; F77-Y81 HydrophobicContact CE1-CE1 3.84Å; F77-Y81 AromaticContact CG-CD1 3.96Å; F77-Y81 HydrophobicContact CG-CD1 3.96Å; F77-Y81 HydrophobicContact CG-CE1 4.27Å; F77-Y81 HydrophobicContact CG-CG 4.49Å; P78-Y81 WeakPolarHBondContact O-CB 3.18Å; P78-Y81 PolarHBondContact O-N 3.49Å; Y81-K83 VanDerWaalsContact C-N 3.26Å; Y81-K83 PolarHBondContact O-N 2.9Å; Y81-F84 PolarHBondContact O-N 3.45Å; Y81-W85 HydrophobicContact CD1-CB 4.39Å; Y81-W85 HydrophobicContact CE1-CB 4.14Å; Y81-W85 HydrophobicContact CE1-CD2 4.3Å; Y81-W85 HydrophobicContact CE1-CE3 4.23Å; Y81-W85 HydrophobicContact CE1-CG 4.25Å; Y81-W85 HydrophobicContact CE2-CE3 4.44Å; Y81-W85 AromaticContact CZ-CE3 3.72Å; Y81-W85 VanDerWaalsContact O-CB 3.31Å; Y81-W85 WeakPolarHBondContact O-CB 3.47Å; Y81-W85 PolarHBondContact O-N 2.9Å; Y81-W85 WeakPolarHBondContact OH-CZ3 3.41Å; Y81-L101 HydrophobicContact CD2-CD1 3.98Å; Y81-L101 HydrophobicContact CE2-CD1 3.95Å; Y81-V105 HydrophobicContact CD2-CG1 3.82Å; Y81-V105 HydrophobicContact CE2-CG1 3.84Å; Y81-A113 HydrophobicContact CD2-CB 3.97Å; Y81-A113 HydrophobicContact CE2-CB 3.79Å; Y81-K116 WeakPolarHBondContact OH-CD 2.95Å
82	E	93.5	Very high	82.4	Confident	112 Å²	112	89 Å²	89	52%	0.523	46%	0.463	S	S	.	.	H	α-helix	trans	-62	-33.3	-178.4	-79.2	-62.5	168.2	0	0	113.3	E80 K86	E80-E82 VanDerWaalsContact C-N 3.34Å; E80-E82 PolarHBondContact O-N 3.36Å; E82-K86 WeakPolarHBondContact O-CB 3.43Å; E82-K86 PolarHBondContact O-N 3.18Å
83	K	94.2	Very high	85	Confident	140 Å²	140	83.3 Å²	83.3	61%	0.609	44%	0.436	S	S	*	.	H	α-helix	trans	-66.3	-46.3	177.1	178	-172.6	167.7	-164.4	0	111	E80 Y81 T87	E80-K83 WeakPolarHBondContact O-CB 3.49Å; E80-K83 PolarHBondContact O-N 3.05Å; E80-K83 VanDerWaalsContact O-N 3.14Å; Y81-K83 VanDerWaalsContact C-N 3.26Å; Y81-K83 PolarHBondContact O-N 2.9Å; K83-T87 PolarHBondContact O-N 2.94Å; K83-T87 PolarHBondContact O-OG1 2.93Å
84	F	95.7	Very high	87.6	Confident	42 Å²	42	79.4 Å²	79.4	18%	0.184	41%	0.411	C	S	.	.	H	α-helix	trans	-69.1	-42.7	177	-69.8	-69	0	0	0	111.5	E80 Y81 K86 T87 V88 L101 Y104	E80-F84 HydrophobicContact CB-CD2 4.16Å; E80-F84 HydrophobicContact CB-CE2 3.9Å; E80-F84 VanDerWaalsContact O-CD2 3.25Å; E80-F84 WeakPolarHBondContact O-CD2 3.37Å; E80-F84 PolarHBondContact O-N 3.49Å; Y81-F84 PolarHBondContact O-N 3.45Å; F84-K86 PolarHBondContact O-N 3.29Å; F84-T87 WeakPolarHBondContact O-CB 3.5Å; F84-T87 PolarHBondContact O-N 3.01Å; F84-V88 PolarHBondContact O-N 3.45Å; F84-L101 HydrophobicContact CB-CB 4.03Å; F84-L101 HydrophobicContact CB-CD1 3.63Å; F84-L101 HydrophobicContact CB-CG 4.37Å; F84-Y104 AromaticContact CD2-CD1 3.87Å; F84-Y104 HydrophobicContact CD2-CD1 3.87Å; F84-Y104 HydrophobicContact CD2-CD2 4.48Å; F84-Y104 HydrophobicContact CD2-CE1 4.34Å; F84-Y104 AromaticContact CD2-CG 3.93Å; F84-Y104 HydrophobicContact CD2-CG 3.93Å; F84-Y104 HydrophobicContact CE2-CD1 4.23Å; F84-Y104 HydrophobicContact CE2-CD2 4.01Å; F84-Y104 HydrophobicContact CE2-CE2 4.48Å; F84-Y104 AromaticContact CE2-CG 3.88Å; F84-Y104 HydrophobicContact CE2-CG 3.88Å
85	W	96.6	Very high	90	Very high	27 Å²	27	71.9 Å²	71.9	10%	0.102	38%	0.375	C	S	.	.	H	α-helix	trans	-58.6	-47.6	177	-175	-97.2	0	0	0	112.2	Y81 T87 V88 E89 L101 K116 R120	Y81-W85 HydrophobicContact CD1-CB 4.39Å; Y81-W85 HydrophobicContact CE1-CB 4.14Å; Y81-W85 HydrophobicContact CE1-CD2 4.3Å; Y81-W85 HydrophobicContact CE1-CE3 4.23Å; Y81-W85 HydrophobicContact CE1-CG 4.25Å; Y81-W85 HydrophobicContact CE2-CE3 4.44Å; Y81-W85 AromaticContact CZ-CE3 3.72Å; Y81-W85 VanDerWaalsContact O-CB 3.31Å; Y81-W85 WeakPolarHBondContact O-CB 3.47Å; Y81-W85 PolarHBondContact O-N 2.9Å; Y81-W85 WeakPolarHBondContact OH-CZ3 3.41Å; W85-T87 PolarHBondContact O-N 2.99Å; W85-V88 WeakPolarHBondContact O-CG2 3.48Å; W85-V88 PolarHBondContact O-N 3.19Å; W85-E89 WeakPolarHBondContact O-CB 3.16Å; W85-E89 PolarHBondContact O-N 3.17Å; W85-L101 HydrophobicContact CE3-CD2 3.94Å; W85-L101 HydrophobicContact CZ3-CD2 4.47Å; W85-K116 HydrophobicContact CH2-CD 4.2Å; W85-K116 HydrophobicContact CH2-CG 3.67Å; W85-K116 HydrophobicContact CZ2-CD 4.48Å; W85-K116 VanDerWaalsContact CZ2-CE 3.42Å; W85-K116 HydrophobicContact CZ2-CG 4.38Å; W85-K116 HydrophobicContact CZ3-CD 4.46Å; W85-K116 HydrophobicContact CZ3-CG 3.9Å; W85-R120 HydrophobicContact CH2-CB 3.81Å; W85-R120 HydrophobicContact CH2-CG 3.91Å; W85-R120 HydrophobicContact CZ3-CB 4.31Å
86	K	95.4	Very high	92.3	Very high	125 Å²	125	71.8 Å²	71.8	54%	0.543	37%	0.366	S	S	.	.	H	α-helix	trans	-61.2	-30.4	178.2	-170.9	169.7	-172.1	169.4	0	113.1	E82 F84 N90	E82-K86 WeakPolarHBondContact O-CB 3.43Å; E82-K86 PolarHBondContact O-N 3.18Å; F84-K86 PolarHBondContact O-N 3.29Å; K86-N90 WeakPolarHBondContact O-CB 3.29Å; K86-N90 PolarHBondContact O-N 3.37Å; K86-N90 VanDerWaalsContact O-N 3.07Å; K86-N90 PolarHBondContact O-ND2 3.34Å
87	T	95.9	Very high	93.4	Very high	60 Å²	60	65.5 Å²	65.5	37%	0.368	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-48.4	176.8	-58.3	0	0	0	0	110.8	K83 F84 W85 N91	K83-T87 PolarHBondContact O-N 2.94Å; K83-T87 PolarHBondContact O-OG1 2.93Å; F84-T87 WeakPolarHBondContact O-CB 3.5Å; F84-T87 PolarHBondContact O-N 3.01Å; W85-T87 PolarHBondContact O-N 2.99Å; T87-N91 PolarHBondContact O-N 3.06Å
88	V	95.9	Very high	93.9	Very high	1 Å²	1	63 Å²	63	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-77.9	-24.6	-179.9	-62.4	0	0	0	0	113.2	F84 W85 N91 P92 G97 W98 L101	F84-V88 PolarHBondContact O-N 3.45Å; W85-V88 WeakPolarHBondContact O-CG2 3.48Å; W85-V88 PolarHBondContact O-N 3.19Å; V88-N91 CarbonylContact O-C 3.56Å; V88-P92 WeakPolarHBondContact O-CA 3.45Å; V88-P92 WeakPolarHBondContact O-CD 3.42Å; V88-P92 WeakPolarHBondContact O-CG 3.39Å; V88-G97 VanDerWaalsContact CG1-C 3.49Å; V88-W98 HydrophobicContact CB-CD2 3.8Å; V88-W98 HydrophobicContact CB-CE3 4.04Å; V88-W98 HydrophobicContact CB-CG 4.45Å; V88-W98 HydrophobicContact CB-CH2 3.79Å; V88-W98 HydrophobicContact CB-CZ2 3.57Å; V88-W98 HydrophobicContact CB-CZ3 4.04Å; V88-W98 HydrophobicContact CG1-CB 4.4Å; V88-W98 HydrophobicContact CG1-CD2 3.55Å; V88-W98 HydrophobicContact CG1-CE3 3.9Å; V88-W98 HydrophobicContact CG1-CG 3.78Å; V88-W98 HydrophobicContact CG1-CZ2 4.29Å; V88-W98 HydrophobicContact CG1-CZ3 4.38Å; V88-W98 HydrophobicContact CG2-CD2 4.27Å; V88-W98 HydrophobicContact CG2-CE3 3.99Å; V88-W98 HydrophobicContact CG2-CH2 3.54Å; V88-W98 HydrophobicContact CG2-CZ2 3.9Å; V88-W98 HydrophobicContact CG2-CZ3 3.62Å; V88-L101 HydrophobicContact CG2-CD2 3.84Å
89	E	94.1	Very high	94.3	Very high	124 Å²	124	64.4 Å²	64.4	58%	0.579	33%	0.331	S	S	*	.	H	α-helix	trans	-67.8	-42.8	171.8	-174.7	174.7	-135.8	0	0	111.7	W85	W85-E89 WeakPolarHBondContact O-CB 3.16Å; W85-E89 PolarHBondContact O-N 3.17Å
90	N	93.6	Very high	95.1	Very high	123 Å²	123	64.8 Å²	64.8	66%	0.658	32%	0.317	S	S	*	.	H	α-helix	trans	-68	-36.2	176.6	-71.1	-31.8	0	0	0	112.5	K86	K86-N90 WeakPolarHBondContact O-CB 3.29Å; K86-N90 PolarHBondContact O-N 3.37Å; K86-N90 VanDerWaalsContact O-N 3.07Å; K86-N90 PolarHBondContact O-ND2 3.34Å
91	N	92.2	Very high	95.4	Very high	67 Å²	67	60.4 Å²	60.4	36%	0.358	30%	0.296	S	S	.	.			trans	-138.7	88	177.6	-175.1	15.7	0	0	0	111	T87 V88 Q93 D94	T87-N91 PolarHBondContact O-N 3.06Å; V88-N91 CarbonylContact O-C 3.56Å; N91-Q93 PolarHBondContact O-N 3.07Å; N91-Q93 PolarHBondContact OD1-N 3.36Å; N91-Q93 PolarHBondContact OD1-OE1 2.89Å; N91-D94 HydrophobicContact CB-CB 4.22Å; N91-D94 WeakPolarHBondContact O-CB 3.28Å; N91-D94 PolarHBondContact O-N 2.94Å
92	P	93.4	Very high	95.5	Very high	32 Å²	32	60.4 Å²	60.4	21%	0.208	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.7	179.8	-24.9	34.7	0	0	0	114.1	V88 W98	V88-P92 WeakPolarHBondContact O-CA 3.45Å; V88-P92 WeakPolarHBondContact O-CD 3.42Å; V88-P92 WeakPolarHBondContact O-CG 3.39Å; P92-W98 PolarHBondContact O-NE1 3.15Å
93	Q	91.9	Very high	95.7	Very high	68 Å²	68	59.5 Å²	59.5	32%	0.318	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	0.3	175.6	-61.9	80.6	26.7	0	0	113.5	N91 F95 Y125	N91-Q93 PolarHBondContact O-N 3.07Å; N91-Q93 PolarHBondContact OD1-N 3.36Å; N91-Q93 PolarHBondContact OD1-OE1 2.89Å; Q93-F95 VanDerWaalsContact C-N 3.33Å; Q93-F95 PolarHBondContact O-N 3.48Å; Q93-Y125 VanDerWaalsContact C-OH 3.23Å; Q93-Y125 VanDerWaalsContact CA-OH 3.25Å; Q93-Y125 WeakPolarHBondContact CA-OH 3.33Å; Q93-Y125 PolarHBondContact O-OH 3.22Å
94	D	95.2	Very high	95.8	Very high	50 Å²	50	53.7 Å²	53.7	27%	0.267	27%	0.266	S	S	.	.			trans	-77.6	84	173	-174.8	3.6	0	0	0	110.7	N91 T96 G97 W98	N91-D94 HydrophobicContact CB-CB 4.22Å; N91-D94 WeakPolarHBondContact O-CB 3.28Å; N91-D94 PolarHBondContact O-N 2.94Å; D94-T96 PolarHBondContact O-N 3.47Å; D94-T96 WeakPolarHBondContact OD1-CB 3.3Å; D94-T96 PolarHBondContact OD1-N 3.06Å; D94-T96 VanDerWaalsContact OD1-N 3.13Å; D94-G97 PolarHBondContact O-N 3.39Å; D94-G97 VanDerWaalsContact O-N 3.16Å; D94-G97 PolarHBondContact OD1-N 2.8Å; D94-W98 PolarHBondContact O-N 2.98Å; D94-W98 VanDerWaalsContact O-N 3.11Å
95	F	96.2	Very high	95.8	Very high	25 Å²	25	51.7 Å²	51.7	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-56	-36.9	176.8	-172.6	-97.9	0	0	0	112.8	Q93 W98 V99 F121 Y125 Y131 V345	Q93-F95 VanDerWaalsContact C-N 3.33Å; Q93-F95 PolarHBondContact O-N 3.48Å; F95-W98 WeakPolarHBondContact O-CB 3.33Å; F95-W98 PolarHBondContact O-N 3.04Å; F95-V99 HydrophobicContact CD1-CG2 3.83Å; F95-V99 HydrophobicContact CE1-CG2 3.55Å; F95-V99 HydrophobicContact CZ-CG2 4.12Å; F95-V99 VanDerWaalsContact O-CG2 3.29Å; F95-V99 WeakPolarHBondContact O-CG2 3.4Å; F95-V99 PolarHBondContact O-N 3.43Å; F95-F121 HydrophobicContact CD2-CE2 4.15Å; F95-F121 AromaticContact CE2-CE2 3.9Å; F95-F121 HydrophobicContact CE2-CE2 3.9Å; F95-F121 AromaticContact CE2-CZ 3.9Å; F95-F121 HydrophobicContact CE2-CZ 3.9Å; F95-Y125 HydrophobicContact CD2-CD1 4.2Å; F95-Y125 HydrophobicContact CD2-CD2 4.08Å; F95-Y125 HydrophobicContact CD2-CE1 4.16Å; F95-Y125 HydrophobicContact CD2-CE2 4.03Å; F95-Y125 HydrophobicContact CD2-CG 4.15Å; F95-Y125 HydrophobicContact CE2-CG 4.42Å; F95-Y131 HydrophobicContact CZ-CE2 4.22Å; F95-V345 HydrophobicContact CB-CB 4.32Å; F95-V345 HydrophobicContact CB-CG1 3.77Å; F95-V345 HydrophobicContact CB-CG2 3.97Å; F95-V345 HydrophobicContact CD1-CB 4.42Å; F95-V345 HydrophobicContact CD1-CG1 4.08Å; F95-V345 HydrophobicContact CD1-CG2 3.47Å; F95-V345 VanDerWaalsContact CD1-CG2 3.47Å; F95-V345 HydrophobicContact CD2-CG1 3.49Å; F95-V345 VanDerWaalsContact CD2-CG1 3.49Å; F95-V345 HydrophobicContact CD2-CG2 4.45Å; F95-V345 HydrophobicContact CE1-CG2 4.04Å; F95-V345 HydrophobicContact CE2-CG1 4.05Å; F95-V345 HydrophobicContact CG-CB 4.21Å; F95-V345 HydrophobicContact CG-CG1 3.5Å; F95-V345 VanDerWaalsContact CG-CG1 3.5Å; F95-V345 HydrophobicContact CG-CG2 3.71Å
96	T	97.1	Very high	95.6	Very high	83 Å²	83	52.4 Å²	52.4	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-65.8	-42.9	179.5	-58.2	0	0	0	0	110.6	D94 W98 V99 Y100	D94-T96 PolarHBondContact O-N 3.47Å; D94-T96 WeakPolarHBondContact OD1-CB 3.3Å; D94-T96 PolarHBondContact OD1-N 3.06Å; D94-T96 VanDerWaalsContact OD1-N 3.13Å; T96-W98 VanDerWaalsContact C-N 3.3Å; T96-W98 PolarHBondContact O-N 3.28Å; T96-V99 PolarHBondContact O-N 2.93Å; T96-Y100 HydrophobicContact CG2-CD2 3.81Å; T96-Y100 HydrophobicContact CG2-CE2 3.49Å; T96-Y100 VanDerWaalsContact CG2-CE2 3.49Å; T96-Y100 WeakPolarHBondContact O-CD2 3.44Å; T96-Y100 PolarHBondContact O-N 3.21Å
97	G	97.4	Very high	95.5	Very high	6 Å²	6	53 Å²	53	6%	0.062	27%	0.266	C	S	.	.	H	α-helix	trans	-55.7	-43.8	172.1	0	0	0	0	0	112.5	V88 D94 Y100 L101	V88-G97 VanDerWaalsContact CG1-C 3.49Å; D94-G97 PolarHBondContact O-N 3.39Å; D94-G97 VanDerWaalsContact O-N 3.16Å; D94-G97 PolarHBondContact OD1-N 2.8Å; G97-Y100 PolarHBondContact O-N 3.37Å; G97-L101 PolarHBondContact O-N 2.7Å
98	W	98.1	Very high	95.4	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.015	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-45.6	173.9	-70.8	111.4	0	0	0	112.7	V88 P92 D94 F95 T96 Y100 L101 L102 R120 F121 H124 Y125	V88-W98 HydrophobicContact CB-CD2 3.8Å; V88-W98 HydrophobicContact CB-CE3 4.04Å; V88-W98 HydrophobicContact CB-CG 4.45Å; V88-W98 HydrophobicContact CB-CH2 3.79Å; V88-W98 HydrophobicContact CB-CZ2 3.57Å; V88-W98 HydrophobicContact CB-CZ3 4.04Å; V88-W98 HydrophobicContact CG1-CB 4.4Å; V88-W98 HydrophobicContact CG1-CD2 3.55Å; V88-W98 HydrophobicContact CG1-CE3 3.9Å; V88-W98 HydrophobicContact CG1-CG 3.78Å; V88-W98 HydrophobicContact CG1-CZ2 4.29Å; V88-W98 HydrophobicContact CG1-CZ3 4.38Å; V88-W98 HydrophobicContact CG2-CD2 4.27Å; V88-W98 HydrophobicContact CG2-CE3 3.99Å; V88-W98 HydrophobicContact CG2-CH2 3.54Å; V88-W98 HydrophobicContact CG2-CZ2 3.9Å; V88-W98 HydrophobicContact CG2-CZ3 3.62Å; P92-W98 PolarHBondContact O-NE1 3.15Å; D94-W98 PolarHBondContact O-N 2.98Å; D94-W98 VanDerWaalsContact O-N 3.11Å; F95-W98 WeakPolarHBondContact O-CB 3.33Å; F95-W98 PolarHBondContact O-N 3.04Å; T96-W98 VanDerWaalsContact C-N 3.3Å; T96-W98 PolarHBondContact O-N 3.28Å; W98-Y100 VanDerWaalsContact C-N 3.31Å; W98-Y100 PolarHBondContact O-N 3.07Å; W98-L101 HydrophobicContact CE3-CD2 4.02Å; W98-L101 HydrophobicContact CZ3-CD2 3.94Å; W98-L101 PolarHBondContact O-N 3.28Å; W98-L102 WeakPolarHBondContact O-CB 3.37Å; W98-L102 VanDerWaalsContact O-CG 3.29Å; W98-L102 WeakPolarHBondContact O-CG 3.33Å; W98-L102 PolarHBondContact O-N 3.11Å; W98-R120 HydrophobicContact CH2-CB 4.01Å; W98-R120 HydrophobicContact CH2-CG 3.64Å; W98-R120 HydrophobicContact CZ2-CG 4.43Å; W98-R120 HydrophobicContact CZ3-CB 4.33Å; W98-R120 HydrophobicContact CZ3-CG 4.43Å; W98-F121 HydrophobicContact CB-CD2 3.66Å; W98-F121 HydrophobicContact CB-CE2 3.91Å; W98-F121 HydrophobicContact CD2-CB 4.35Å; W98-F121 AromaticContact CD2-CD2 3.89Å; W98-F121 HydrophobicContact CD2-CD2 3.89Å; W98-F121 HydrophobicContact CE3-CB 3.91Å; W98-F121 HydrophobicContact CE3-CD2 4.2Å; W98-F121 AromaticContact CG-CD2 3.67Å; W98-F121 HydrophobicContact CG-CD2 3.67Å; W98-F121 HydrophobicContact CG-CE2 4.22Å; W98-F121 HydrophobicContact CZ3-CB 4.21Å; W98-H124 AromaticContact CZ2-CD2 3.94Å; W98-Y125 AromaticContact CD1-CE2 3.65Å; W98-Y125 AromaticContact NE1-CE2 3.87Å
99	V	97.6	Very high	95.2	Very high	42 Å²	42	58 Å²	58	26%	0.255	29%	0.288	S	S	.	.	H	α-helix	trans	-57.9	-45.1	178.4	178.4	0	0	0	0	111.1	F95 T96 L102 Q103 Y131	F95-V99 HydrophobicContact CD1-CG2 3.83Å; F95-V99 HydrophobicContact CE1-CG2 3.55Å; F95-V99 HydrophobicContact CZ-CG2 4.12Å; F95-V99 VanDerWaalsContact O-CG2 3.29Å; F95-V99 WeakPolarHBondContact O-CG2 3.4Å; F95-V99 PolarHBondContact O-N 3.43Å; T96-V99 PolarHBondContact O-N 2.93Å; V99-L102 PolarHBondContact O-N 3.47Å; V99-Q103 VanDerWaalsContact O-CB 3.26Å; V99-Q103 WeakPolarHBondContact O-CB 3.5Å; V99-Q103 PolarHBondContact O-N 2.96Å; V99-Y131 VanDerWaalsContact CG2-OH 3.23Å; V99-Y131 WeakPolarHBondContact CG2-OH 3.41Å
100	Y	97.4	Very high	95	Very high	137 Å²	137	55 Å²	55	54%	0.537	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-44.1	176.8	-77.8	-64.9	0	0	0	112.4	T96 G97 W98 Y104	T96-Y100 HydrophobicContact CG2-CD2 3.81Å; T96-Y100 HydrophobicContact CG2-CE2 3.49Å; T96-Y100 VanDerWaalsContact CG2-CE2 3.49Å; T96-Y100 WeakPolarHBondContact O-CD2 3.44Å; T96-Y100 PolarHBondContact O-N 3.21Å; G97-Y100 PolarHBondContact O-N 3.37Å; W98-Y100 VanDerWaalsContact C-N 3.31Å; W98-Y100 PolarHBondContact O-N 3.07Å; Y100-Y104 VanDerWaalsContact O-CB 3.29Å; Y100-Y104 WeakPolarHBondContact O-CB 3.43Å; Y100-Y104 PolarHBondContact O-N 3.49Å
101	L	97.6	Very high	95	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-48	176.9	174.5	60.7	0	0	0	111.7	Y81 F84 W85 V88 G97 W98 Y104 V105 A117	Y81-L101 HydrophobicContact CD2-CD1 3.98Å; Y81-L101 HydrophobicContact CE2-CD1 3.95Å; F84-L101 HydrophobicContact CB-CB 4.03Å; F84-L101 HydrophobicContact CB-CD1 3.63Å; F84-L101 HydrophobicContact CB-CG 4.37Å; W85-L101 HydrophobicContact CE3-CD2 3.94Å; W85-L101 HydrophobicContact CZ3-CD2 4.47Å; V88-L101 HydrophobicContact CG2-CD2 3.84Å; G97-L101 PolarHBondContact O-N 2.7Å; W98-L101 HydrophobicContact CE3-CD2 4.02Å; W98-L101 HydrophobicContact CZ3-CD2 3.94Å; W98-L101 PolarHBondContact O-N 3.28Å; L101-Y104 WeakPolarHBondContact O-CB 3.44Å; L101-Y104 PolarHBondContact O-N 2.96Å; L101-V105 HydrophobicContact CD1-CG1 4.08Å; L101-V105 WeakPolarHBondContact O-CG2 3.37Å; L101-V105 PolarHBondContact O-N 3.13Å; L101-A117 HydrophobicContact CD2-CB 4.05Å; L101-A117 HydrophobicContact CG-CB 4.14Å
102	L	97.3	Very high	95	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-41.4	-178.5	-66.3	179.1	0	0	0	111.5	W98 V99 Y104 V105 E106 A117 F118 F121 Y131	W98-L102 WeakPolarHBondContact O-CB 3.37Å; W98-L102 VanDerWaalsContact O-CG 3.29Å; W98-L102 WeakPolarHBondContact O-CG 3.33Å; W98-L102 PolarHBondContact O-N 3.11Å; V99-L102 PolarHBondContact O-N 3.47Å; L102-Y104 VanDerWaalsContact C-N 3.31Å; L102-Y104 PolarHBondContact O-N 2.8Å; L102-V105 VanDerWaalsContact O-CG2 3.26Å; L102-V105 WeakPolarHBondContact O-CG2 3.39Å; L102-V105 PolarHBondContact O-N 3.3Å; L102-E106 WeakPolarHBondContact O-CB 3.38Å; L102-E106 VanDerWaalsContact O-CG 3.3Å; L102-E106 WeakPolarHBondContact O-CG 3.47Å; L102-E106 PolarHBondContact O-N 2.64Å; L102-A117 HydrophobicContact CD2-CB 3.84Å; L102-F118 HydrophobicContact CD1-CD1 4.32Å; L102-F118 HydrophobicContact CD1-CE1 4.11Å; L102-F118 HydrophobicContact CD2-CD1 3.84Å; L102-F118 HydrophobicContact CD2-CD2 4.15Å; L102-F118 HydrophobicContact CD2-CE1 3.93Å; L102-F118 HydrophobicContact CD2-CE2 4.2Å; L102-F118 HydrophobicContact CD2-CG 3.95Å; L102-F118 HydrophobicContact CD2-CZ 4.1Å; L102-F118 HydrophobicContact CG-CE1 4.46Å; L102-F121 HydrophobicContact CD1-CB 4.28Å; L102-F121 HydrophobicContact CD1-CD1 3.86Å; L102-F121 HydrophobicContact CD1-CD2 4.08Å; L102-F121 HydrophobicContact CD1-CE1 4.17Å; L102-F121 HydrophobicContact CD1-CE2 4.36Å; L102-F121 HydrophobicContact CD1-CG 3.8Å; L102-F121 HydrophobicContact CD1-CZ 4.4Å; L102-Y131 HydrophobicContact CB-CE1 4.3Å; L102-Y131 HydrophobicContact CD1-CD1 3.47Å; L102-Y131 VanDerWaalsContact CD1-CD1 3.47Å; L102-Y131 HydrophobicContact CD1-CE1 3.66Å; L102-Y131 HydrophobicContact CD1-CG 4.27Å
103	Q	96.4	Very high	95.1	Very high	93 Å²	93	50.9 Å²	50.9	44%	0.435	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-40.9	173.1	-177.7	176.4	0.1	0	0	111.8	V99 Q107	V99-Q103 VanDerWaalsContact O-CB 3.26Å; V99-Q103 WeakPolarHBondContact O-CB 3.5Å; V99-Q103 PolarHBondContact O-N 2.96Å; Q103-Q107 VanDerWaalsContact O-CG 3.28Å; Q103-Q107 WeakPolarHBondContact O-CG 3.48Å; Q103-Q107 PolarHBondContact O-N 3.21Å; Q103-Q107 VanDerWaalsContact O-N 3.08Å
104	Y	96.1	Very high	95.3	Very high	19 Å²	19	47.7 Å²	47.7	8%	0.075	23%	0.233	C	C	.	.	H	α-helix	trans	-64.2	-49.7	178.2	175.1	-108.3	0	0	0	112.1	P78 E80 F84 Y100 L101 L102 E106 Q107 E108	P78-Y104 HydrophobicContact CB-CE1 3.84Å; P78-Y104 WeakPolarHBondContact CB-OH 3.25Å; E80-Y104 HydrophobicContact CB-CE1 4.29Å; E80-Y104 HydrophobicContact CB-CE2 4.14Å; E80-Y104 PolarHBondContact N-OH 3.06Å; E80-Y104 VanDerWaalsContact N-OH 3.14Å; F84-Y104 AromaticContact CD2-CD1 3.87Å; F84-Y104 HydrophobicContact CD2-CD1 3.87Å; F84-Y104 HydrophobicContact CD2-CD2 4.48Å; F84-Y104 HydrophobicContact CD2-CE1 4.34Å; F84-Y104 AromaticContact CD2-CG 3.93Å; F84-Y104 HydrophobicContact CD2-CG 3.93Å; F84-Y104 HydrophobicContact CE2-CD1 4.23Å; F84-Y104 HydrophobicContact CE2-CD2 4.01Å; F84-Y104 HydrophobicContact CE2-CE2 4.48Å; F84-Y104 AromaticContact CE2-CG 3.88Å; F84-Y104 HydrophobicContact CE2-CG 3.88Å; Y100-Y104 VanDerWaalsContact O-CB 3.29Å; Y100-Y104 WeakPolarHBondContact O-CB 3.43Å; Y100-Y104 PolarHBondContact O-N 3.49Å; L101-Y104 WeakPolarHBondContact O-CB 3.44Å; L101-Y104 PolarHBondContact O-N 2.96Å; L102-Y104 VanDerWaalsContact C-N 3.31Å; L102-Y104 PolarHBondContact O-N 2.8Å; Y104-E106 VanDerWaalsContact C-N 3.28Å; Y104-E106 PolarHBondContact O-N 2.77Å; Y104-Q107 PolarHBondContact O-N 3.43Å; Y104-Q107 VanDerWaalsContact O-N 3.08Å; Y104-E108 HydrophobicContact CD1-CG 4.42Å; Y104-E108 HydrophobicContact CD2-CG 4.04Å; Y104-E108 HydrophobicContact CE1-CG 3.98Å; Y104-E108 HydrophobicContact CE2-CG 3.53Å; Y104-E108 WeakPolarHBondContact CE2-OE1 3.39Å; Y104-E108 HydrophobicContact CG-CG 4.46Å; Y104-E108 VanDerWaalsContact CZ-CG 3.5Å; Y104-E108 WeakPolarHBondContact O-CG 3.32Å; Y104-E108 PolarHBondContact O-N 2.96Å
105	V	95.4	Very high	95.4	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-29.3	179.5	-60.4	0	0	0	0	112.7	Y81 L101 L102 N109 A113 A114 A117	Y81-V105 HydrophobicContact CD2-CG1 3.82Å; Y81-V105 HydrophobicContact CE2-CG1 3.84Å; L101-V105 HydrophobicContact CD1-CG1 4.08Å; L101-V105 WeakPolarHBondContact O-CG2 3.37Å; L101-V105 PolarHBondContact O-N 3.13Å; L102-V105 VanDerWaalsContact O-CG2 3.26Å; L102-V105 WeakPolarHBondContact O-CG2 3.39Å; L102-V105 PolarHBondContact O-N 3.3Å; V105-N109 PolarHBondContact O-N 3.29Å; V105-N109 VanDerWaalsContact O-N 3.09Å; V105-A113 HydrophobicContact CG1-CB 4.28Å; V105-A114 HydrophobicContact CB-CB 4.09Å; V105-A114 HydrophobicContact CG2-CB 3.93Å; V105-A117 HydrophobicContact CG1-CB 4.42Å; V105-A117 HydrophobicContact CG2-CB 4.32Å
106	E	93.2	Very high	95.4	Very high	42 Å²	42	50.9 Å²	50.9	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-66.2	-39	170.5	-79.1	175.2	-152.4	0	0	112	L102 Y104 N109 F118 K134	L102-E106 WeakPolarHBondContact O-CB 3.38Å; L102-E106 VanDerWaalsContact O-CG 3.3Å; L102-E106 WeakPolarHBondContact O-CG 3.47Å; L102-E106 PolarHBondContact O-N 2.64Å; Y104-E106 VanDerWaalsContact C-N 3.28Å; Y104-E106 PolarHBondContact O-N 2.77Å; E106-N109 PolarHBondContact O-N 3.46Å; E106-F118 HydrophobicContact CG-CZ 4.39Å; E106-K134 WeakPolarHBondContact OE1-CD 3.49Å; E106-K134 IonicContact OE1-NZ 3.33Å; E106-K134 IonicContact OE2-NZ 3.88Å
107	Q	94.1	Very high	95.4	Very high	137 Å²	137	46.9 Å²	46.9	64%	0.64	22%	0.218	S	C	*	.	H	α-helix	trans	-72.7	-43.5	179.4	-75.5	174.6	-2.9	0	0	112.6	Q103 Y104 N109	Q103-Q107 VanDerWaalsContact O-CG 3.28Å; Q103-Q107 WeakPolarHBondContact O-CG 3.48Å; Q103-Q107 PolarHBondContact O-N 3.21Å; Q103-Q107 VanDerWaalsContact O-N 3.08Å; Y104-Q107 PolarHBondContact O-N 3.43Å; Y104-Q107 VanDerWaalsContact O-N 3.08Å; Q107-N109 PolarHBondContact O-N 3.34Å
108	E	93.4	Very high	95.5	Very high	93 Å²	93	46.6 Å²	46.6	44%	0.435	22%	0.215	S	C	.	.	H	α-helix	trans	-69.6	-18	175.3	-67	-66.7	146	0	0	112.2	P78 Y104 H110	P78-E108 HydrophobicContact CB-CB 4.3Å; P78-E108 HydrophobicContact CB-CG 3.9Å; P78-E108 HydrophobicContact CG-CB 3.99Å; P78-E108 HydrophobicContact CG-CG 4.14Å; Y104-E108 HydrophobicContact CD1-CG 4.42Å; Y104-E108 HydrophobicContact CD2-CG 4.04Å; Y104-E108 HydrophobicContact CE1-CG 3.98Å; Y104-E108 HydrophobicContact CE2-CG 3.53Å; Y104-E108 WeakPolarHBondContact CE2-OE1 3.39Å; Y104-E108 HydrophobicContact CG-CG 4.46Å; Y104-E108 VanDerWaalsContact CZ-CG 3.5Å; Y104-E108 WeakPolarHBondContact O-CG 3.32Å; Y104-E108 PolarHBondContact O-N 2.96Å; E108-H110 PolarHBondContact O-N 3.48Å; E108-H110 VanDerWaalsContact O-N 3.11Å
109	N	91.5	Very high	95.5	Very high	73 Å²	73	49 Å²	49	39%	0.39	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	30.5	179.9	-162.7	35.5	0	0	0	113.5	V105 E106 Q107 L111 L138 H142	V105-N109 PolarHBondContact O-N 3.29Å; V105-N109 VanDerWaalsContact O-N 3.09Å; E106-N109 PolarHBondContact O-N 3.46Å; Q107-N109 PolarHBondContact O-N 3.34Å; N109-L111 PolarHBondContact O-N 2.92Å; N109-L138 WeakPolarHBondContact OD1-CD1 3.42Å; N109-H142 PolarHBondContact ND2-NE2 3.12Å; N109-H142 PolarHBondContact O-CE1 3.05Å; N109-H142 PolarHBondContact OD1-NE2 2.9Å
110	H	90.6	Very high	95.5	Very high	62 Å²	62	52.7 Å²	52.7	29%	0.287	24%	0.238	S	C	.	.			trans	-89.7	99.3	-179.3	-171.1	-79	0	0	0	110.8	N76 P78 E108 M112 A113 A114	N76-H110 PolarHBondContact O-NE2 3.01Å; P78-H110 HydrophobicContact CG-CB 3.79Å; E108-H110 PolarHBondContact O-N 3.48Å; E108-H110 VanDerWaalsContact O-N 3.11Å; H110-M112 PolarHBondContact O-N 2.97Å; H110-A113 HydrophobicContact CB-CB 4.13Å; H110-A113 VanDerWaalsContact ND1-CB 3.35Å; H110-A113 WeakPolarHBondContact ND1-CB 3.35Å; H110-A113 PolarHBondContact ND1-N 2.95Å; H110-A113 WeakPolarHBondContact O-CB 3.49Å; H110-A113 PolarHBondContact O-N 3.02Å; H110-A114 PolarHBondContact O-N 3.49Å
111	L	92.1	Very high	95.5	Very high	26 Å²	26	46.2 Å²	46.2	14%	0.136	21%	0.212	C	C	.	.	H	α-helix	trans	-53.6	-50.5	-168.1	-175.8	61.8	0	0	0	114.1	N109 A113 A114 R115 H142 N144	N109-L111 PolarHBondContact O-N 2.92Å; L111-A113 VanDerWaalsContact C-N 3.25Å; L111-A113 PolarHBondContact O-N 3.12Å; L111-A114 PolarHBondContact O-N 3.05Å; L111-R115 HydrophobicContact CD1-CG 4.4Å; L111-R115 WeakPolarHBondContact O-CG 3.34Å; L111-R115 PolarHBondContact O-N 2.93Å; L111-H142 HydrophobicContact CD2-CB 4.36Å; L111-N144 WeakPolarHBondContact CD2-ND2 3.49Å
112	M	93.3	Very high	95.5	Very high	109 Å²	109	46.7 Å²	46.7	54%	0.537	22%	0.215	S	C	.	.	H	α-helix	trans	-65.9	-30.1	-178.1	-64.1	-60.6	169.3	0	0	112.9	H110 K116	H110-M112 PolarHBondContact O-N 2.97Å; M112-K116 PolarHBondContact O-N 2.92Å
113	A	94.6	Very high	95.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-74	-40.6	176.9	0	0	0	0	0	111.3	F77 Y81 V105 H110 L111 A117	F77-A113 HydrophobicContact CD1-CB 3.63Å; F77-A113 HydrophobicContact CE1-CB 3.77Å; Y81-A113 HydrophobicContact CD2-CB 3.97Å; Y81-A113 HydrophobicContact CE2-CB 3.79Å; V105-A113 HydrophobicContact CG1-CB 4.28Å; H110-A113 HydrophobicContact CB-CB 4.13Å; H110-A113 VanDerWaalsContact ND1-CB 3.35Å; H110-A113 WeakPolarHBondContact ND1-CB 3.35Å; H110-A113 PolarHBondContact ND1-N 2.95Å; H110-A113 WeakPolarHBondContact O-CB 3.49Å; H110-A113 PolarHBondContact O-N 3.02Å; L111-A113 VanDerWaalsContact C-N 3.25Å; L111-A113 PolarHBondContact O-N 3.12Å; A113-A117 WeakPolarHBondContact O-CB 3.44Å; A113-A117 PolarHBondContact O-N 3.42Å
114	A	96.2	Very high	95.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-48.4	173.8	0	0	0	0	0	111.7	V105 H110 L111 K116 A117 F118 L138	V105-A114 HydrophobicContact CB-CB 4.09Å; V105-A114 HydrophobicContact CG2-CB 3.93Å; H110-A114 PolarHBondContact O-N 3.49Å; L111-A114 PolarHBondContact O-N 3.05Å; A114-K116 PolarHBondContact O-N 3.41Å; A114-A117 PolarHBondContact O-N 3.48Å; A114-A117 VanDerWaalsContact O-N 3.07Å; A114-F118 HydrophobicContact CB-CD2 4.19Å; A114-F118 HydrophobicContact CB-CE2 4.31Å; A114-F118 WeakPolarHBondContact O-CB 2.84Å; A114-F118 VanDerWaalsContact O-CD2 3.25Å; A114-F118 WeakPolarHBondContact O-CD2 3.41Å; A114-F118 PolarHBondContact O-N 3.36Å; A114-L138 HydrophobicContact CB-CD2 3.24Å
115	R	97.4	Very high	95.4	Very high	56 Å²	56	48.8 Å²	48.8	21%	0.211	23%	0.226	C	C	.	.	H	α-helix	trans	-51.5	-54.4	176.7	-71.5	178.5	173	169.3	-1.8	111.5	L111 A117 F118 D119 Y135 E139 N144	L111-R115 HydrophobicContact CD1-CG 4.4Å; L111-R115 WeakPolarHBondContact O-CG 3.34Å; L111-R115 PolarHBondContact O-N 2.93Å; R115-A117 VanDerWaalsContact C-N 3.32Å; R115-A117 PolarHBondContact O-N 3.22Å; R115-F118 PolarHBondContact O-N 3.39Å; R115-D119 WeakPolarHBondContact O-CB 3.4Å; R115-D119 VanDerWaalsContact O-CG 3.26Å; R115-D119 PolarHBondContact O-N 3.03Å; R115-D119 VanDerWaalsContact O-OD2 3.1Å; R115-Y135 WeakPolarHBondContact CA-OH 3.47Å; R115-Y135 WeakPolarHBondContact CB-OH 3.45Å; R115-Y135 HydrophobicContact CG-CE2 3.98Å; R115-Y135 WeakPolarHBondContact CG-OH 3.38Å; R115-E139 WeakPolarHBondContact CG-OE1 3.45Å; R115-E139 IonicContact CZ-OE1 3.11Å; R115-E139 IonicContact CZ-OE2 3.94Å; R115-E139 IonicContact NE-OE1 3.8Å; R115-E139 PolarHBondContact NE-OE1 2.9Å; R115-E139 IonicContact NE-OE2 2.91Å; R115-E139 IonicContact NH2-OE1 2.63Å; R115-E139 PolarHBondContact NH2-OE1 3.07Å; R115-E139 IonicContact NH2-OE2 2.74Å; R115-E139 PolarHBondContact NH2-OE2 3.19Å; R115-N144 PolarHBondContact NH2-ND2 3.37Å
116	K	96.6	Very high	95.5	Very high	86 Å²	86	49.2 Å²	49.2	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-57.3	-41.8	177.2	-177.8	175.9	171.5	-175.5	0	112.6	F77 Y81 W85 M112 A114 R120	F77-K116 HydrophobicContact CZ-CD 4.46Å; Y81-K116 WeakPolarHBondContact OH-CD 2.95Å; W85-K116 HydrophobicContact CH2-CD 4.2Å; W85-K116 HydrophobicContact CH2-CG 3.67Å; W85-K116 HydrophobicContact CZ2-CD 4.48Å; W85-K116 VanDerWaalsContact CZ2-CE 3.42Å; W85-K116 HydrophobicContact CZ2-CG 4.38Å; W85-K116 HydrophobicContact CZ3-CD 4.46Å; W85-K116 HydrophobicContact CZ3-CG 3.9Å; M112-K116 PolarHBondContact O-N 2.92Å; A114-K116 PolarHBondContact O-N 3.41Å; K116-R120 WeakPolarHBondContact O-CB 3.32Å; K116-R120 PolarHBondContact O-N 2.77Å
117	A	97.5	Very high	95.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.3	-47.9	178.8	0	0	0	0	0	113.1	L101 L102 V105 A113 A114 R115 F121	L101-A117 HydrophobicContact CD2-CB 4.05Å; L101-A117 HydrophobicContact CG-CB 4.14Å; L102-A117 HydrophobicContact CD2-CB 3.84Å; V105-A117 HydrophobicContact CG1-CB 4.42Å; V105-A117 HydrophobicContact CG2-CB 4.32Å; A113-A117 WeakPolarHBondContact O-CB 3.44Å; A113-A117 PolarHBondContact O-N 3.42Å; A114-A117 PolarHBondContact O-N 3.48Å; A114-A117 VanDerWaalsContact O-N 3.07Å; R115-A117 VanDerWaalsContact C-N 3.32Å; R115-A117 PolarHBondContact O-N 3.22Å; A117-F121 VanDerWaalsContact O-CB 3.26Å; A117-F121 WeakPolarHBondContact O-CB 3.47Å; A117-F121 PolarHBondContact O-N 3.48Å
118	F	98.3	Very high	95.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.6	-48.5	178.9	-83.3	-71.3	0	0	0	111.8	L102 E106 A114 R115 R120 F121 F122 Y131 K134 Y135 L138	L102-F118 HydrophobicContact CD1-CD1 4.32Å; L102-F118 HydrophobicContact CD1-CE1 4.11Å; L102-F118 HydrophobicContact CD2-CD1 3.84Å; L102-F118 HydrophobicContact CD2-CD2 4.15Å; L102-F118 HydrophobicContact CD2-CE1 3.93Å; L102-F118 HydrophobicContact CD2-CE2 4.2Å; L102-F118 HydrophobicContact CD2-CG 3.95Å; L102-F118 HydrophobicContact CD2-CZ 4.1Å; L102-F118 HydrophobicContact CG-CE1 4.46Å; E106-F118 HydrophobicContact CG-CZ 4.39Å; A114-F118 HydrophobicContact CB-CD2 4.19Å; A114-F118 HydrophobicContact CB-CE2 4.31Å; A114-F118 WeakPolarHBondContact O-CB 2.84Å; A114-F118 VanDerWaalsContact O-CD2 3.25Å; A114-F118 WeakPolarHBondContact O-CD2 3.41Å; A114-F118 PolarHBondContact O-N 3.36Å; R115-F118 PolarHBondContact O-N 3.39Å; F118-R120 VanDerWaalsContact C-N 3.28Å; F118-R120 PolarHBondContact O-N 3.28Å; F118-F121 WeakPolarHBondContact O-CB 3.43Å; F118-F121 PolarHBondContact O-N 3.13Å; F118-F121 VanDerWaalsContact O-N 3.12Å; F118-F122 HydrophobicContact CB-CD2 4.29Å; F118-F122 HydrophobicContact CB-CE2 3.85Å; F118-F122 AromaticContact CD1-CE2 3.72Å; F118-F122 HydrophobicContact CD1-CE2 3.72Å; F118-F122 AromaticContact CD1-CZ 3.84Å; F118-F122 HydrophobicContact CD1-CZ 3.84Å; F118-F122 HydrophobicContact CG-CE2 4.23Å; F118-F122 WeakPolarHBondContact O-CD2 3.4Å; F118-F122 WeakPolarHBondContact O-CG 3.5Å; F118-F122 PolarHBondContact O-N 3.16Å; F118-Y131 HydrophobicContact CE1-CD1 4.16Å; F118-K134 HydrophobicContact CZ-CB 4.43Å; F118-Y135 HydrophobicContact CB-CD1 3.62Å; F118-Y135 HydrophobicContact CB-CD2 4.12Å; F118-Y135 HydrophobicContact CB-CE1 3.74Å; F118-Y135 HydrophobicContact CB-CE2 4.3Å; F118-Y135 HydrophobicContact CB-CG 3.78Å; F118-Y135 HydrophobicContact CD1-CD1 4.49Å; F118-Y135 HydrophobicContact CD1-CG 4.15Å; F118-Y135 AromaticContact CD2-CD2 3.77Å; F118-Y135 HydrophobicContact CD2-CD2 3.77Å; F118-Y135 HydrophobicContact CD2-CE2 4.36Å; F118-Y135 AromaticContact CD2-CG 3.93Å; F118-Y135 HydrophobicContact CD2-CG 3.93Å; F118-Y135 HydrophobicContact CE2-CD2 4.42Å; F118-Y135 HydrophobicContact CG-CD1 4.04Å; F118-Y135 AromaticContact CG-CD2 4Å; F118-Y135 HydrophobicContact CG-CD2 4Å; F118-Y135 AromaticContact CG-CG 3.7Å; F118-Y135 HydrophobicContact CG-CG 3.7Å; F118-L138 HydrophobicContact CE2-CD2 4.33Å
119	D	97.9	Very high	96	Very high	54 Å²	54	39.6 Å²	39.6	29%	0.289	18%	0.183	S	C	.	.	H	α-helix	trans	-59.7	-40.7	179.8	-69.2	-36.8	0	0	0	111.1	R115 I123 Y135 R154	R115-D119 WeakPolarHBondContact O-CB 3.4Å; R115-D119 VanDerWaalsContact O-CG 3.26Å; R115-D119 PolarHBondContact O-N 3.03Å; R115-D119 VanDerWaalsContact O-OD2 3.1Å; D119-I123 WeakPolarHBondContact O-CG1 3.23Å; D119-I123 PolarHBondContact O-N 3.03Å; D119-Y135 PolarHBondContact OD2-OH 2.61Å; D119-R154 IonicContact OD1-CZ 3.71Å; D119-R154 IonicContact OD1-NH1 3.32Å; D119-R154 PolarHBondContact OD1-NH1 2.85Å; D119-R154 IonicContact OD1-NH2 3.81Å; D119-R154 PolarHBondContact OD1-NH2 2.78Å
120	R	97.6	Very high	96.3	Very high	120 Å²	120	37.7 Å²	37.7	45%	0.453	18%	0.181	S	C	.	.	H	α-helix	trans	-70.4	-37.6	176.1	-165.6	63.1	171.6	-179.8	-0.5	112.8	W85 W98 K116 F118 H124	W85-R120 HydrophobicContact CH2-CB 3.81Å; W85-R120 HydrophobicContact CH2-CG 3.91Å; W85-R120 HydrophobicContact CZ3-CB 4.31Å; W98-R120 HydrophobicContact CH2-CB 4.01Å; W98-R120 HydrophobicContact CH2-CG 3.64Å; W98-R120 HydrophobicContact CZ2-CG 4.43Å; W98-R120 HydrophobicContact CZ3-CB 4.33Å; W98-R120 HydrophobicContact CZ3-CG 4.43Å; K116-R120 WeakPolarHBondContact O-CB 3.32Å; K116-R120 PolarHBondContact O-N 2.77Å; F118-R120 VanDerWaalsContact C-N 3.28Å; F118-R120 PolarHBondContact O-N 3.28Å; R120-H124 PolarHBondContact O-CD2 3.21Å; R120-H124 VanDerWaalsContact O-CD2 3.32Å
121	F	98.1	Very high	96.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-44.1	175.8	170.4	-104.8	0	0	0	111.8	F95 W98 L102 A117 F118 I123 H124 Y125 C128 Y131	F95-F121 HydrophobicContact CD2-CE2 4.15Å; F95-F121 AromaticContact CE2-CE2 3.9Å; F95-F121 HydrophobicContact CE2-CE2 3.9Å; F95-F121 AromaticContact CE2-CZ 3.9Å; F95-F121 HydrophobicContact CE2-CZ 3.9Å; W98-F121 HydrophobicContact CB-CD2 3.66Å; W98-F121 HydrophobicContact CB-CE2 3.91Å; W98-F121 HydrophobicContact CD2-CB 4.35Å; W98-F121 AromaticContact CD2-CD2 3.89Å; W98-F121 HydrophobicContact CD2-CD2 3.89Å; W98-F121 HydrophobicContact CE3-CB 3.91Å; W98-F121 HydrophobicContact CE3-CD2 4.2Å; W98-F121 AromaticContact CG-CD2 3.67Å; W98-F121 HydrophobicContact CG-CD2 3.67Å; W98-F121 HydrophobicContact CG-CE2 4.22Å; W98-F121 HydrophobicContact CZ3-CB 4.21Å; L102-F121 HydrophobicContact CD1-CB 4.28Å; L102-F121 HydrophobicContact CD1-CD1 3.86Å; L102-F121 HydrophobicContact CD1-CD2 4.08Å; L102-F121 HydrophobicContact CD1-CE1 4.17Å; L102-F121 HydrophobicContact CD1-CE2 4.36Å; L102-F121 HydrophobicContact CD1-CG 3.8Å; L102-F121 HydrophobicContact CD1-CZ 4.4Å; A117-F121 VanDerWaalsContact O-CB 3.26Å; A117-F121 WeakPolarHBondContact O-CB 3.47Å; A117-F121 PolarHBondContact O-N 3.48Å; F118-F121 WeakPolarHBondContact O-CB 3.43Å; F118-F121 PolarHBondContact O-N 3.13Å; F118-F121 VanDerWaalsContact O-N 3.12Å; F121-I123 VanDerWaalsContact C-N 3.31Å; F121-I123 PolarHBondContact O-N 3.3Å; F121-H124 PolarHBondContact O-N 2.9Å; F121-Y125 AromaticContact CD2-CD2 3.73Å; F121-Y125 HydrophobicContact CD2-CD2 3.73Å; F121-Y125 HydrophobicContact CD2-CG 4.46Å; F121-Y125 AromaticContact CE2-CD2 3.45Å; F121-Y125 HydrophobicContact CE2-CD2 3.45Å; F121-Y125 VanDerWaalsContact CE2-CD2 3.45Å; F121-Y125 HydrophobicContact CE2-CE2 4.39Å; F121-Y125 AromaticContact CE2-CG 3.89Å; F121-Y125 HydrophobicContact CE2-CG 3.89Å; F121-Y125 HydrophobicContact CZ-CD2 4.27Å; F121-Y125 HydrophobicContact CZ-CG 4.28Å; F121-Y125 PolarHBondContact O-N 3.48Å; F121-C128 HydrophobicContact CE1-CB 4.13Å; F121-C128 HydrophobicContact CZ-CB 4.09Å; F121-Y131 HydrophobicContact CE1-CD1 4.46Å; F121-Y131 AromaticContact CE1-CD2 3.94Å; F121-Y131 HydrophobicContact CE1-CD2 3.94Å; F121-Y131 AromaticContact CE1-CG 3.81Å; F121-Y131 HydrophobicContact CE1-CG 3.81Å; F121-Y131 AromaticContact CZ-CD2 3.99Å; F121-Y131 HydrophobicContact CZ-CD2 3.99Å; F121-Y131 HydrophobicContact CZ-CE2 4.26Å; F121-Y131 HydrophobicContact CZ-CG 4.23Å
122	F	98.1	Very high	97	Very high	11 Å²	11	35.7 Å²	35.7	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-70.7	-22.5	-177.4	-67.9	-52.9	0	0	0	114.5	F118 H124 P126 Y131 W132 Y135	F118-F122 HydrophobicContact CB-CD2 4.29Å; F118-F122 HydrophobicContact CB-CE2 3.85Å; F118-F122 AromaticContact CD1-CE2 3.72Å; F118-F122 HydrophobicContact CD1-CE2 3.72Å; F118-F122 AromaticContact CD1-CZ 3.84Å; F118-F122 HydrophobicContact CD1-CZ 3.84Å; F118-F122 HydrophobicContact CG-CE2 4.23Å; F118-F122 WeakPolarHBondContact O-CD2 3.4Å; F118-F122 WeakPolarHBondContact O-CG 3.5Å; F118-F122 PolarHBondContact O-N 3.16Å; F122-H124 PolarHBondContact O-N 3.4Å; F122-P126 WeakPolarHBondContact O-CA 3.2Å; F122-P126 WeakPolarHBondContact O-CB 3.44Å; F122-P126 VanDerWaalsContact O-CD 3.28Å; F122-P126 WeakPolarHBondContact O-CD 3.26Å; F122-Y131 VanDerWaalsContact CZ-C 3.45Å; F122-W132 HydrophobicContact CB-CH2 3.73Å; F122-W132 HydrophobicContact CB-CZ2 3.47Å; F122-W132 VanDerWaalsContact CB-CZ2 3.47Å; F122-W132 AromaticContact CD1-CD1 3.94Å; F122-W132 AromaticContact CD1-CD2 3.76Å; F122-W132 HydrophobicContact CD1-CD2 3.76Å; F122-W132 AromaticContact CD1-CE2 3.27Å; F122-W132 HydrophobicContact CD1-CE3 4.43Å; F122-W132 HydrophobicContact CD1-CG 4.18Å; F122-W132 HydrophobicContact CD1-CH2 4.25Å; F122-W132 AromaticContact CD1-CZ2 3.58Å; F122-W132 HydrophobicContact CD1-CZ2 3.58Å; F122-W132 AromaticContact CD1-NE1 3.4Å; F122-W132 AromaticContact CD2-CD2 3.97Å; F122-W132 HydrophobicContact CD2-CD2 3.97Å; F122-W132 AromaticContact CD2-CE2 3.94Å; F122-W132 AromaticContact CD2-CE3 3.79Å; F122-W132 HydrophobicContact CD2-CE3 3.79Å; F122-W132 AromaticContact CD2-CH2 3.57Å; F122-W132 HydrophobicContact CD2-CH2 3.57Å; F122-W132 AromaticContact CD2-CZ2 3.78Å; F122-W132 HydrophobicContact CD2-CZ2 3.78Å; F122-W132 AromaticContact CD2-CZ3 3.57Å; F122-W132 HydrophobicContact CD2-CZ3 3.57Å; F122-W132 HydrophobicContact CE1-CB 4.43Å; F122-W132 AromaticContact CE1-CD1 3.57Å; F122-W132 AromaticContact CE1-CD2 3.55Å; F122-W132 HydrophobicContact CE1-CD2 3.55Å; F122-W132 AromaticContact CE1-CE2 3.55Å; F122-W132 HydrophobicContact CE1-CE3 4.26Å; F122-W132 AromaticContact CE1-CG 3.6Å; F122-W132 HydrophobicContact CE1-CG 3.6Å; F122-W132 HydrophobicContact CE1-CZ2 4.26Å; F122-W132 AromaticContact CE1-NE1 3.54Å; F122-W132 AromaticContact CE2-CD2 3.78Å; F122-W132 HydrophobicContact CE2-CD2 3.78Å; F122-W132 AromaticContact CE2-CE3 3.61Å; F122-W132 HydrophobicContact CE2-CE3 3.61Å; F122-W132 HydrophobicContact CE2-CG 4.42Å; F122-W132 HydrophobicContact CE2-CH2 4.27Å; F122-W132 HydrophobicContact CE2-CZ2 4.44Å; F122-W132 AromaticContact CE2-CZ3 3.85Å; F122-W132 HydrophobicContact CE2-CZ3 3.85Å; F122-W132 AromaticContact CG-CD2 3.99Å; F122-W132 HydrophobicContact CG-CD2 3.99Å; F122-W132 AromaticContact CG-CE2 3.5Å; F122-W132 HydrophobicContact CG-CE3 4.22Å; F122-W132 AromaticContact CG-CH2 3.59Å; F122-W132 HydrophobicContact CG-CH2 3.59Å; F122-W132 AromaticContact CG-CZ2 3.31Å; F122-W132 HydrophobicContact CG-CZ2 3.31Å; F122-W132 HydrophobicContact CG-CZ3 4.04Å; F122-W132 HydrophobicContact CZ-CB 4.27Å; F122-W132 AromaticContact CZ-CD2 3.59Å; F122-W132 HydrophobicContact CZ-CD2 3.59Å; F122-W132 AromaticContact CZ-CE3 3.87Å; F122-W132 HydrophobicContact CZ-CE3 3.87Å; F122-W132 AromaticContact CZ-CG 3.77Å; F122-W132 HydrophobicContact CZ-CG 3.77Å; F122-W132 HydrophobicContact CZ-CZ3 4.5Å; F122-Y135 HydrophobicContact CD2-CD1 4.45Å; F122-Y135 AromaticContact CE2-CD1 3.77Å; F122-Y135 HydrophobicContact CE2-CD1 3.77Å; F122-Y135 HydrophobicContact CE2-CG 4.48Å
123	I	95.6	Very high	97.2	Very high	95 Å²	95	32.6 Å²	32.6	49%	0.487	15%	0.152	S	C	.	.	H	α-helix	trans	-60.4	-31.7	168.3	-68.6	167.5	0	0	0	110.9	D119 F121	D119-I123 WeakPolarHBondContact O-CG1 3.23Å; D119-I123 PolarHBondContact O-N 3.03Å; F121-I123 VanDerWaalsContact C-N 3.31Å; F121-I123 PolarHBondContact O-N 3.3Å
124	H	94.8	Very high	97.4	Very high	38 Å²	38	36.8 Å²	36.8	18%	0.176	17%	0.171	C	C	.	.	H	α-helix	trans	-99.8	-34.2	-177.7	-63.6	-57	0	0	0	113.6	W98 R120 F121 F122 P126	W98-H124 AromaticContact CZ2-CD2 3.94Å; R120-H124 PolarHBondContact O-CD2 3.21Å; R120-H124 VanDerWaalsContact O-CD2 3.32Å; F121-H124 PolarHBondContact O-N 2.9Å; F122-H124 PolarHBondContact O-N 3.4Å; H124-P126 VanDerWaalsContact C-CD 3.45Å
125	Y	96.9	Very high	97.5	Very high	22 Å²	22	37 Å²	37	9%	0.086	17%	0.172	C	C	.	.			trans	-131.3	59.4	-175	-61.4	-69.5	0	0	0	112.9	Q93 F95 W98 F121 Y127 C128 F343 V345	Q93-Y125 VanDerWaalsContact C-OH 3.23Å; Q93-Y125 VanDerWaalsContact CA-OH 3.25Å; Q93-Y125 WeakPolarHBondContact CA-OH 3.33Å; Q93-Y125 PolarHBondContact O-OH 3.22Å; F95-Y125 HydrophobicContact CD2-CD1 4.2Å; F95-Y125 HydrophobicContact CD2-CD2 4.08Å; F95-Y125 HydrophobicContact CD2-CE1 4.16Å; F95-Y125 HydrophobicContact CD2-CE2 4.03Å; F95-Y125 HydrophobicContact CD2-CG 4.15Å; F95-Y125 HydrophobicContact CE2-CG 4.42Å; W98-Y125 AromaticContact CD1-CE2 3.65Å; W98-Y125 AromaticContact NE1-CE2 3.87Å; F121-Y125 AromaticContact CD2-CD2 3.73Å; F121-Y125 HydrophobicContact CD2-CD2 3.73Å; F121-Y125 HydrophobicContact CD2-CG 4.46Å; F121-Y125 AromaticContact CE2-CD2 3.45Å; F121-Y125 HydrophobicContact CE2-CD2 3.45Å; F121-Y125 VanDerWaalsContact CE2-CD2 3.45Å; F121-Y125 HydrophobicContact CE2-CE2 4.39Å; F121-Y125 AromaticContact CE2-CG 3.89Å; F121-Y125 HydrophobicContact CE2-CG 3.89Å; F121-Y125 HydrophobicContact CZ-CD2 4.27Å; F121-Y125 HydrophobicContact CZ-CG 4.28Å; F121-Y125 PolarHBondContact O-N 3.48Å; Y125-Y127 VanDerWaalsContact C-N 3.25Å; Y125-Y127 PolarHBondContact O-N 2.95Å; Y125-C128 PolarHBondContact O-N 3.37Å; Y125-F343 AromaticContact CD1-CE1 3.93Å; Y125-F343 HydrophobicContact CD1-CE1 3.93Å; Y125-F343 HydrophobicContact CD1-CZ 4.05Å; Y125-F343 HydrophobicContact CE1-CZ 4.44Å; Y125-V345 HydrophobicContact CD1-CG1 4.48Å; Y125-V345 HydrophobicContact CE1-CG1 4Å
126	P	97.7	Very high	97.6	Very high	10 Å²	10	34.4 Å²	34.4	7%	0.065	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.2	-175.5	22.6	-31.2	0	0	0	113.7	F122 H124 C128 W132 A158 I415	F122-P126 WeakPolarHBondContact O-CA 3.2Å; F122-P126 WeakPolarHBondContact O-CB 3.44Å; F122-P126 VanDerWaalsContact O-CD 3.28Å; F122-P126 WeakPolarHBondContact O-CD 3.26Å; H124-P126 VanDerWaalsContact C-CD 3.45Å; P126-C128 PolarHBondContact O-N 3.41Å; P126-W132 PolarHBondContact O-NE1 2.96Å; P126-A158 HydrophobicContact CB-CB 3.89Å; P126-I415 HydrophobicContact CG-CG2 3.66Å
127	Y	97.9	Very high	97.6	Very high	6 Å²	6	32.7 Å²	32.7	2%	0.024	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	2.6	-175.6	-64.1	-9.4	0	0	0	114.8	Y125 Y129 A158 I159 I381 A384 R411 H416	Y125-Y127 VanDerWaalsContact C-N 3.25Å; Y125-Y127 PolarHBondContact O-N 2.95Å; Y127-Y129 VanDerWaalsContact C-N 3.31Å; Y127-Y129 PolarHBondContact O-N 2.91Å; Y127-Y129 VanDerWaalsContact O-N 3.09Å; Y127-A158 VanDerWaalsContact CE1-O 3.27Å; Y127-A158 WeakPolarHBondContact CE1-O 3.37Å; Y127-I159 HydrophobicContact CD1-CB 4.01Å; Y127-I159 HydrophobicContact CD1-CD1 4.31Å; Y127-I159 HydrophobicContact CD1-CG1 4.28Å; Y127-I159 HydrophobicContact CG-CD1 4.3Å; Y127-I381 HydrophobicContact CD2-CB 4.21Å; Y127-I381 HydrophobicContact CD2-CG1 4.03Å; Y127-I381 HydrophobicContact CD2-CG2 4.39Å; Y127-I381 HydrophobicContact CE2-CB 4.46Å; Y127-I381 HydrophobicContact CE2-CG1 3.99Å; Y127-I381 HydrophobicContact CG-CG1 4.38Å; Y127-A384 HydrophobicContact CD2-CB 4.17Å; Y127-A384 HydrophobicContact CE2-CB 4.28Å; Y127-R411 PolarHBondContact OH-NE 2.98Å; Y127-R411 PolarHBondContact OH-NH2 3.11Å; Y127-H416 AromaticContact CD2-CE1 3.6Å; Y127-H416 AromaticContact CD2-NE2 3.99Å; Y127-H416 AromaticContact CE2-CE1 3.41Å; Y127-H416 VanDerWaalsContact CE2-CE1 3.41Å; Y127-H416 WeakPolarHBondContact CE2-CE1 3.49Å; Y127-H416 AromaticContact CE2-NE2 3.31Å; Y127-H416 VanDerWaalsContact CE2-NE2 3.31Å; Y127-H416 WeakPolarHBondContact CE2-NE2 3.48Å; Y127-H416 AromaticContact CZ-CE1 3.7Å; Y127-H416 AromaticContact CZ-NE2 3.31Å; Y127-H416 VanDerWaalsContact CZ-NE2 3.31Å; Y127-H416 PolarHBondContact OH-NE2 2.96Å
128	C	97.2	Very high	97.6	Very high	11 Å²	11	32.7 Å²	32.7	7%	0.074	16%	0.157	C	C	.	.			trans	-84.4	68.9	175.6	-70.9	0	0	0	0	111.8	F121 Y125 P126 G130 Y131 F343	F121-C128 HydrophobicContact CE1-CB 4.13Å; F121-C128 HydrophobicContact CZ-CB 4.09Å; Y125-C128 PolarHBondContact O-N 3.37Å; P126-C128 PolarHBondContact O-N 3.41Å; C128-G130 PolarHBondContact O-N 2.88Å; C128-Y131 HydrophobicContact CB-CD2 3.84Å; C128-Y131 PolarHBondContact O-N 3.41Å; C128-F343 WeakPolarHBondContact SG-CD1 3.41Å
129	Y	97	Very high	97.5	Very high	53 Å²	53	32.7 Å²	32.7	21%	0.208	16%	0.157	C	C	.	.	H	α-helix	trans	-50.1	-33.7	-176.7	79.2	-92.2	0	0	0	114.9	Y127 Y131 W132 K133 S162 D164	Y127-Y129 VanDerWaalsContact C-N 3.31Å; Y127-Y129 PolarHBondContact O-N 2.91Å; Y127-Y129 VanDerWaalsContact O-N 3.09Å; Y129-Y131 PolarHBondContact O-N 2.97Å; Y129-W132 WeakPolarHBondContact O-CB 3.21Å; Y129-W132 PolarHBondContact O-N 3.02Å; Y129-K133 PolarHBondContact O-N 3.11Å; Y129-S162 WeakPolarHBondContact CB-OG 3.26Å; Y129-D164 HydrophobicContact CD2-CB 4.02Å; Y129-D164 HydrophobicContact CE2-CB 3.45Å; Y129-D164 VanDerWaalsContact CE2-CB 3.45Å; Y129-D164 VanDerWaalsContact CZ-OD2 3.29Å; Y129-D164 PolarHBondContact OH-OD2 3.49Å
130	G	97.6	Very high	97.4	Very high	33 Å²	33	32.7 Å²	32.7	34%	0.34	15%	0.154	S	C	.	.	H	α-helix	trans	-59.4	-30.3	177.7	0	0	0	0	0	113.6	C128 K134	C128-G130 PolarHBondContact O-N 2.88Å; G130-K134 VanDerWaalsContact O-CG 3.32Å; G130-K134 WeakPolarHBondContact O-CG 3.24Å; G130-K134 PolarHBondContact O-N 2.98Å
131	Y	98.3	Very high	97.4	Very high	37 Å²	37	34 Å²	34	15%	0.145	16%	0.159	C	C	.	.	H	α-helix	trans	-80.5	-32.1	174.7	-70.6	-87.4	0	0	0	112.1	F95 V99 L102 F118 F121 F122 C128 Y129 K133 K134 Y135	F95-Y131 HydrophobicContact CZ-CE2 4.22Å; V99-Y131 VanDerWaalsContact CG2-OH 3.23Å; V99-Y131 WeakPolarHBondContact CG2-OH 3.41Å; L102-Y131 HydrophobicContact CB-CE1 4.3Å; L102-Y131 HydrophobicContact CD1-CD1 3.47Å; L102-Y131 VanDerWaalsContact CD1-CD1 3.47Å; L102-Y131 HydrophobicContact CD1-CE1 3.66Å; L102-Y131 HydrophobicContact CD1-CG 4.27Å; F118-Y131 HydrophobicContact CE1-CD1 4.16Å; F121-Y131 HydrophobicContact CE1-CD1 4.46Å; F121-Y131 AromaticContact CE1-CD2 3.94Å; F121-Y131 HydrophobicContact CE1-CD2 3.94Å; F121-Y131 AromaticContact CE1-CG 3.81Å; F121-Y131 HydrophobicContact CE1-CG 3.81Å; F121-Y131 AromaticContact CZ-CD2 3.99Å; F121-Y131 HydrophobicContact CZ-CD2 3.99Å; F121-Y131 HydrophobicContact CZ-CE2 4.26Å; F121-Y131 HydrophobicContact CZ-CG 4.23Å; F122-Y131 VanDerWaalsContact CZ-C 3.45Å; C128-Y131 HydrophobicContact CB-CD2 3.84Å; C128-Y131 PolarHBondContact O-N 3.41Å; Y129-Y131 PolarHBondContact O-N 2.97Å; Y131-K133 VanDerWaalsContact C-N 3.3Å; Y131-K133 PolarHBondContact O-N 3.15Å; Y131-K134 HydrophobicContact CD1-CD 4.22Å; Y131-K134 PolarHBondContact O-N 2.93Å; Y131-Y135 WeakPolarHBondContact O-CB 3.44Å; Y131-Y135 PolarHBondContact O-N 3.28Å
132	W	98.6	Very high	97.2	Very high	9 Å²	9	36.9 Å²	36.9	3%	0.034	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-45.3	172.8	-75.2	112.2	0	0	0	110.4	F122 P126 Y129 K134 Y135 A136 V151 R154 G155 A158 L165	F122-W132 HydrophobicContact CB-CH2 3.73Å; F122-W132 HydrophobicContact CB-CZ2 3.47Å; F122-W132 VanDerWaalsContact CB-CZ2 3.47Å; F122-W132 AromaticContact CD1-CD1 3.94Å; F122-W132 AromaticContact CD1-CD2 3.76Å; F122-W132 HydrophobicContact CD1-CD2 3.76Å; F122-W132 AromaticContact CD1-CE2 3.27Å; F122-W132 HydrophobicContact CD1-CE3 4.43Å; F122-W132 HydrophobicContact CD1-CG 4.18Å; F122-W132 HydrophobicContact CD1-CH2 4.25Å; F122-W132 AromaticContact CD1-CZ2 3.58Å; F122-W132 HydrophobicContact CD1-CZ2 3.58Å; F122-W132 AromaticContact CD1-NE1 3.4Å; F122-W132 AromaticContact CD2-CD2 3.97Å; F122-W132 HydrophobicContact CD2-CD2 3.97Å; F122-W132 AromaticContact CD2-CE2 3.94Å; F122-W132 AromaticContact CD2-CE3 3.79Å; F122-W132 HydrophobicContact CD2-CE3 3.79Å; F122-W132 AromaticContact CD2-CH2 3.57Å; F122-W132 HydrophobicContact CD2-CH2 3.57Å; F122-W132 AromaticContact CD2-CZ2 3.78Å; F122-W132 HydrophobicContact CD2-CZ2 3.78Å; F122-W132 AromaticContact CD2-CZ3 3.57Å; F122-W132 HydrophobicContact CD2-CZ3 3.57Å; F122-W132 HydrophobicContact CE1-CB 4.43Å; F122-W132 AromaticContact CE1-CD1 3.57Å; F122-W132 AromaticContact CE1-CD2 3.55Å; F122-W132 HydrophobicContact CE1-CD2 3.55Å; F122-W132 AromaticContact CE1-CE2 3.55Å; F122-W132 HydrophobicContact CE1-CE3 4.26Å; F122-W132 AromaticContact CE1-CG 3.6Å; F122-W132 HydrophobicContact CE1-CG 3.6Å; F122-W132 HydrophobicContact CE1-CZ2 4.26Å; F122-W132 AromaticContact CE1-NE1 3.54Å; F122-W132 AromaticContact CE2-CD2 3.78Å; F122-W132 HydrophobicContact CE2-CD2 3.78Å; F122-W132 AromaticContact CE2-CE3 3.61Å; F122-W132 HydrophobicContact CE2-CE3 3.61Å; F122-W132 HydrophobicContact CE2-CG 4.42Å; F122-W132 HydrophobicContact CE2-CH2 4.27Å; F122-W132 HydrophobicContact CE2-CZ2 4.44Å; F122-W132 AromaticContact CE2-CZ3 3.85Å; F122-W132 HydrophobicContact CE2-CZ3 3.85Å; F122-W132 AromaticContact CG-CD2 3.99Å; F122-W132 HydrophobicContact CG-CD2 3.99Å; F122-W132 AromaticContact CG-CE2 3.5Å; F122-W132 HydrophobicContact CG-CE3 4.22Å; F122-W132 AromaticContact CG-CH2 3.59Å; F122-W132 HydrophobicContact CG-CH2 3.59Å; F122-W132 AromaticContact CG-CZ2 3.31Å; F122-W132 HydrophobicContact CG-CZ2 3.31Å; F122-W132 HydrophobicContact CG-CZ3 4.04Å; F122-W132 HydrophobicContact CZ-CB 4.27Å; F122-W132 AromaticContact CZ-CD2 3.59Å; F122-W132 HydrophobicContact CZ-CD2 3.59Å; F122-W132 AromaticContact CZ-CE3 3.87Å; F122-W132 HydrophobicContact CZ-CE3 3.87Å; F122-W132 AromaticContact CZ-CG 3.77Å; F122-W132 HydrophobicContact CZ-CG 3.77Å; F122-W132 HydrophobicContact CZ-CZ3 4.5Å; P126-W132 PolarHBondContact O-NE1 2.96Å; Y129-W132 WeakPolarHBondContact O-CB 3.21Å; Y129-W132 PolarHBondContact O-N 3.02Å; W132-K134 PolarHBondContact O-N 3.34Å; W132-Y135 PolarHBondContact O-N 3.46Å; W132-A136 PolarHBondContact O-N 3.12Å; W132-V151 HydrophobicContact CE3-CG1 3.88Å; W132-V151 HydrophobicContact CZ3-CG1 4.35Å; W132-R154 HydrophobicContact CH2-CB 4.04Å; W132-R154 HydrophobicContact CZ3-CB 3.99Å; W132-G155 VanDerWaalsContact CD2-CA 3.46Å; W132-A158 HydrophobicContact CZ2-CB 4.1Å; W132-L165 HydrophobicContact CB-CD1 4.09Å; W132-L165 HydrophobicContact CB-CD2 4.38Å
133	K	98.3	Very high	97.1	Very high	43 Å²	43	43 Å²	43	19%	0.187	21%	0.206	C	C	.	.	H	α-helix	trans	-57.8	-48.1	173.4	178.7	55.5	163	83.6	0	112.4	Y129 Y131 Y135 A136 D137 Y152 H168	Y129-K133 PolarHBondContact O-N 3.11Å; Y131-K133 VanDerWaalsContact C-N 3.3Å; Y131-K133 PolarHBondContact O-N 3.15Å; K133-Y135 VanDerWaalsContact C-N 3.31Å; K133-Y135 PolarHBondContact O-N 3.16Å; K133-A136 PolarHBondContact O-N 3.45Å; K133-D137 IonicContact NZ-OD1 3.62Å; K133-D137 PolarHBondContact NZ-OD1 3.45Å; K133-D137 IonicContact NZ-OD2 3.5Å; K133-D137 PolarHBondContact NZ-OD2 2.86Å; K133-D137 WeakPolarHBondContact O-CB 3.29Å; K133-D137 VanDerWaalsContact O-CG 3.24Å; K133-D137 PolarHBondContact O-N 3.48Å; K133-Y152 HydrophobicContact CD-CE1 4.16Å; K133-Y152 WeakPolarHBondContact CD-OH 3.43Å; K133-Y152 WeakPolarHBondContact CE-OH 3.45Å; K133-H168 HydrophobicContact CD-CB 3.77Å; K133-H168 VanDerWaalsContact CE-ND1 3.27Å; K133-H168 WeakPolarHBondContact CE-ND1 3.42Å
134	K	98	Very high	97.1	Very high	88 Å²	88	40.9 Å²	40.9	38%	0.383	20%	0.195	S	C	.	.	H	α-helix	trans	-61.1	-39	178.6	-73.7	174.1	168.5	-154	0	112.7	E106 F118 G130 Y131 W132 D137 L138	E106-K134 WeakPolarHBondContact OE1-CD 3.49Å; E106-K134 IonicContact OE1-NZ 3.33Å; E106-K134 IonicContact OE2-NZ 3.88Å; F118-K134 HydrophobicContact CZ-CB 4.43Å; G130-K134 VanDerWaalsContact O-CG 3.32Å; G130-K134 WeakPolarHBondContact O-CG 3.24Å; G130-K134 PolarHBondContact O-N 2.98Å; Y131-K134 HydrophobicContact CD1-CD 4.22Å; Y131-K134 PolarHBondContact O-N 2.93Å; W132-K134 PolarHBondContact O-N 3.34Å; K134-D137 PolarHBondContact O-N 2.85Å; K134-L138 WeakPolarHBondContact O-CB 3.49Å; K134-L138 PolarHBondContact O-N 3.2Å
135	Y	98.4	Very high	97.1	Very high	6 Å²	6	42 Å²	42	2%	0.024	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-46.5	177.6	-175.4	-160.7	0	0	0	111.2	R115 F118 D119 F122 Y131 W132 K133 D137 L138 E139 V151	R115-Y135 WeakPolarHBondContact CA-OH 3.47Å; R115-Y135 WeakPolarHBondContact CB-OH 3.45Å; R115-Y135 HydrophobicContact CG-CE2 3.98Å; R115-Y135 WeakPolarHBondContact CG-OH 3.38Å; F118-Y135 HydrophobicContact CB-CD1 3.62Å; F118-Y135 HydrophobicContact CB-CD2 4.12Å; F118-Y135 HydrophobicContact CB-CE1 3.74Å; F118-Y135 HydrophobicContact CB-CE2 4.3Å; F118-Y135 HydrophobicContact CB-CG 3.78Å; F118-Y135 HydrophobicContact CD1-CD1 4.49Å; F118-Y135 HydrophobicContact CD1-CG 4.15Å; F118-Y135 AromaticContact CD2-CD2 3.77Å; F118-Y135 HydrophobicContact CD2-CD2 3.77Å; F118-Y135 HydrophobicContact CD2-CE2 4.36Å; F118-Y135 AromaticContact CD2-CG 3.93Å; F118-Y135 HydrophobicContact CD2-CG 3.93Å; F118-Y135 HydrophobicContact CE2-CD2 4.42Å; F118-Y135 HydrophobicContact CG-CD1 4.04Å; F118-Y135 AromaticContact CG-CD2 4Å; F118-Y135 HydrophobicContact CG-CD2 4Å; F118-Y135 AromaticContact CG-CG 3.7Å; F118-Y135 HydrophobicContact CG-CG 3.7Å; D119-Y135 PolarHBondContact OD2-OH 2.61Å; F122-Y135 HydrophobicContact CD2-CD1 4.45Å; F122-Y135 AromaticContact CE2-CD1 3.77Å; F122-Y135 HydrophobicContact CE2-CD1 3.77Å; F122-Y135 HydrophobicContact CE2-CG 4.48Å; Y131-Y135 WeakPolarHBondContact O-CB 3.44Å; Y131-Y135 PolarHBondContact O-N 3.28Å; W132-Y135 PolarHBondContact O-N 3.46Å; K133-Y135 VanDerWaalsContact C-N 3.31Å; K133-Y135 PolarHBondContact O-N 3.16Å; Y135-D137 VanDerWaalsContact C-N 3.3Å; Y135-D137 PolarHBondContact O-N 3.44Å; Y135-L138 WeakPolarHBondContact O-CB 3.4Å; Y135-L138 PolarHBondContact O-N 3.07Å; Y135-L138 VanDerWaalsContact O-N 3.13Å; Y135-E139 HydrophobicContact CD2-CG 4.32Å; Y135-E139 HydrophobicContact CE2-CG 4.11Å; Y135-E139 PolarHBondContact O-N 2.92Å; Y135-V151 HydrophobicContact CD1-CB 4.27Å; Y135-V151 HydrophobicContact CD1-CG1 3.49Å; Y135-V151 VanDerWaalsContact CD1-CG1 3.49Å; Y135-V151 HydrophobicContact CD1-CG2 3.65Å; Y135-V151 HydrophobicContact CD2-CG2 4.42Å; Y135-V151 HydrophobicContact CE1-CG1 4.26Å; Y135-V151 HydrophobicContact CE1-CG2 3.61Å; Y135-V151 HydrophobicContact CE2-CG2 4.32Å; Y135-V151 HydrophobicContact CG-CG1 3.83Å; Y135-V151 HydrophobicContact CG-CG2 4.1Å
136	A	98.3	Very high	97.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-40.8	176.2	0	0	0	0	0	111.7	W132 K133 L138 E139 K140 S148 V151 Y152	W132-A136 PolarHBondContact O-N 3.12Å; K133-A136 PolarHBondContact O-N 3.45Å; A136-L138 VanDerWaalsContact C-N 3.33Å; A136-L138 PolarHBondContact O-N 2.81Å; A136-E139 PolarHBondContact O-N 3.38Å; A136-K140 WeakPolarHBondContact O-CB 3.3Å; A136-K140 PolarHBondContact O-N 3.05Å; A136-S148 PolarHBondContact O-OG 3.35Å; A136-V151 HydrophobicContact CB-CB 4.18Å; A136-V151 HydrophobicContact CB-CG1 3.88Å; A136-Y152 HydrophobicContact CB-CD2 3.69Å; A136-Y152 HydrophobicContact CB-CE1 4.27Å; A136-Y152 HydrophobicContact CB-CE2 3.36Å; A136-Y152 HydrophobicContact CB-CG 4.28Å
137	D	97.4	Very high	97.1	Very high	50 Å²	50	51.4 Å²	51.4	27%	0.267	25%	0.247	S	C	.	.	H	α-helix	trans	-64.5	-36.1	175.1	-73.8	-19.4	0	0	0	112.9	K133 K134 Y135 R141	K133-D137 IonicContact NZ-OD1 3.62Å; K133-D137 PolarHBondContact NZ-OD1 3.45Å; K133-D137 IonicContact NZ-OD2 3.5Å; K133-D137 PolarHBondContact NZ-OD2 2.86Å; K133-D137 WeakPolarHBondContact O-CB 3.29Å; K133-D137 VanDerWaalsContact O-CG 3.24Å; K133-D137 PolarHBondContact O-N 3.48Å; K134-D137 PolarHBondContact O-N 2.85Å; Y135-D137 VanDerWaalsContact C-N 3.3Å; Y135-D137 PolarHBondContact O-N 3.44Å; D137-R141 WeakPolarHBondContact O-CB 3.26Å; D137-R141 VanDerWaalsContact O-CG 3.28Å; D137-R141 WeakPolarHBondContact O-CG 3.39Å; D137-R141 PolarHBondContact O-N 3.34Å
138	L	96.8	Very high	97.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-47.7	174.8	-177.5	71	0	0	0	110.7	N109 A114 F118 K134 Y135 A136 K140 R141 H142	N109-L138 WeakPolarHBondContact OD1-CD1 3.42Å; A114-L138 HydrophobicContact CB-CD2 3.24Å; F118-L138 HydrophobicContact CE2-CD2 4.33Å; K134-L138 WeakPolarHBondContact O-CB 3.49Å; K134-L138 PolarHBondContact O-N 3.2Å; Y135-L138 WeakPolarHBondContact O-CB 3.4Å; Y135-L138 PolarHBondContact O-N 3.07Å; Y135-L138 VanDerWaalsContact O-N 3.13Å; A136-L138 VanDerWaalsContact C-N 3.33Å; A136-L138 PolarHBondContact O-N 2.81Å; L138-K140 VanDerWaalsContact C-N 3.32Å; L138-K140 PolarHBondContact O-N 3.49Å; L138-R141 VanDerWaalsContact CD1-NH2 3.28Å; L138-R141 PolarHBondContact O-N 3.22Å; L138-H142 PolarHBondContact O-CD2 3.33Å; L138-H142 VanDerWaalsContact O-CD2 3.29Å; L138-H142 PolarHBondContact O-N 3.07Å
139	E	97.4	Very high	97.2	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-58.1	-45.8	175.4	-70.8	-66.5	169.1	0	0	111.7	R115 Y135 A136 R141 H142 D143 N144 P147 V151	R115-E139 WeakPolarHBondContact CG-OE1 3.45Å; R115-E139 IonicContact CZ-OE1 3.11Å; R115-E139 IonicContact CZ-OE2 3.94Å; R115-E139 IonicContact NE-OE1 3.8Å; R115-E139 PolarHBondContact NE-OE1 2.9Å; R115-E139 IonicContact NE-OE2 2.91Å; R115-E139 IonicContact NH2-OE1 2.63Å; R115-E139 PolarHBondContact NH2-OE1 3.07Å; R115-E139 IonicContact NH2-OE2 2.74Å; R115-E139 PolarHBondContact NH2-OE2 3.19Å; Y135-E139 HydrophobicContact CD2-CG 4.32Å; Y135-E139 HydrophobicContact CE2-CG 4.11Å; Y135-E139 PolarHBondContact O-N 2.92Å; A136-E139 PolarHBondContact O-N 3.38Å; E139-R141 VanDerWaalsContact C-N 3.33Å; E139-R141 PolarHBondContact O-N 2.93Å; E139-H142 CarbonylContact O-C 3.52Å; E139-H142 PolarHBondContact O-N 3.5Å; E139-D143 PolarHBondContact O-N 2.99Å; E139-N144 HydrophobicContact CB-CB 4.45Å; E139-N144 WeakPolarHBondContact O-CB 3.24Å; E139-N144 PolarHBondContact O-N 2.93Å; E139-N144 WeakPolarHBondContact OE2-CB 3.29Å; E139-N144 PolarHBondContact OE2-ND2 3.19Å; E139-P147 HydrophobicContact CB-CB 4.48Å; E139-P147 HydrophobicContact CG-CB 4.18Å; E139-V151 HydrophobicContact CG-CG2 4.38Å
140	K	96.4	Very high	97.2	Very high	54 Å²	54	53.2 Å²	53.2	24%	0.235	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-40.3	177.1	-176.8	179.7	179.2	174.4	0	112.3	A136 L138 H142 D143 I145 F172 E175	A136-K140 WeakPolarHBondContact O-CB 3.3Å; A136-K140 PolarHBondContact O-N 3.05Å; L138-K140 VanDerWaalsContact C-N 3.32Å; L138-K140 PolarHBondContact O-N 3.49Å; K140-H142 PolarHBondContact O-N 3.48Å; K140-D143 WeakPolarHBondContact O-CA 3.34Å; K140-D143 PolarHBondContact O-N 2.87Å; K140-I145 HydrophobicContact CG-CD1 4.09Å; K140-F172 HydrophobicContact CD-CD2 4.24Å; K140-F172 HydrophobicContact CD-CE2 4.44Å; K140-E175 IonicContact NZ-OE2 2.88Å; K140-E175 PolarHBondContact NZ-OE2 2.83Å
141	R	95.6	Very high	97.3	Very high	148 Å²	148	51.8 Å²	51.8	56%	0.558	24%	0.243	S	C	*	.	H	α-helix	trans	-63.9	-20.3	176.1	-79.2	-174	-66	163.1	-2.2	113.6	D137 L138 E139 D143	D137-R141 WeakPolarHBondContact O-CB 3.26Å; D137-R141 VanDerWaalsContact O-CG 3.28Å; D137-R141 WeakPolarHBondContact O-CG 3.39Å; D137-R141 PolarHBondContact O-N 3.34Å; L138-R141 VanDerWaalsContact CD1-NH2 3.28Å; L138-R141 PolarHBondContact O-N 3.22Å; E139-R141 VanDerWaalsContact C-N 3.33Å; E139-R141 PolarHBondContact O-N 2.93Å; R141-D143 VanDerWaalsContact C-N 3.35Å
142	H	94.9	Very high	97.3	Very high	59 Å²	59	50.2 Å²	50.2	27%	0.273	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	16.9	172.6	-75.5	-106.1	0	0	0	112.2	N109 L111 L138 E139 K140 N144	N109-H142 PolarHBondContact ND2-NE2 3.12Å; N109-H142 PolarHBondContact O-CE1 3.05Å; N109-H142 PolarHBondContact OD1-NE2 2.9Å; L111-H142 HydrophobicContact CD2-CB 4.36Å; L138-H142 PolarHBondContact O-CD2 3.33Å; L138-H142 VanDerWaalsContact O-CD2 3.29Å; L138-H142 PolarHBondContact O-N 3.07Å; E139-H142 CarbonylContact O-C 3.52Å; E139-H142 PolarHBondContact O-N 3.5Å; K140-H142 PolarHBondContact O-N 3.48Å; H142-N144 PolarHBondContact O-N 2.81Å; H142-N144 VanDerWaalsContact O-N 3.13Å
143	D	95.3	Very high	97.3	Very high	140 Å²	140	53.1 Å²	53.1	75%	0.749	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	20.1	-177.5	-63.5	-41.1	0	0	0	114.6	E139 K140 R141 I145	E139-D143 PolarHBondContact O-N 2.99Å; K140-D143 WeakPolarHBondContact O-CA 3.34Å; K140-D143 PolarHBondContact O-N 2.87Å; R141-D143 VanDerWaalsContact C-N 3.35Å; D143-I145 PolarHBondContact O-N 3.18Å
144	N	95.4	Very high	97.3	Very high	51 Å²	51	54.5 Å²	54.5	27%	0.273	25%	0.251	S	S	.	.			trans	-91.9	72.3	178.1	-67.7	-39.4	0	0	0	110.8	L111 R115 E139 H142 K146 P147 S148	L111-N144 WeakPolarHBondContact CD2-ND2 3.49Å; R115-N144 PolarHBondContact NH2-ND2 3.37Å; E139-N144 HydrophobicContact CB-CB 4.45Å; E139-N144 WeakPolarHBondContact O-CB 3.24Å; E139-N144 PolarHBondContact O-N 2.93Å; E139-N144 WeakPolarHBondContact OE2-CB 3.29Å; E139-N144 PolarHBondContact OE2-ND2 3.19Å; H142-N144 PolarHBondContact O-N 2.81Å; H142-N144 VanDerWaalsContact O-N 3.13Å; N144-K146 PolarHBondContact O-N 2.86Å; N144-P147 HydrophobicContact CB-CB 4.2Å; N144-P147 HydrophobicContact CB-CG 3.92Å; N144-P147 WeakPolarHBondContact O-CD 3.4Å; N144-S148 WeakPolarHBondContact O-CB 3.35Å; N144-S148 PolarHBondContact O-N 3.05Å
145	I	96.6	Very high	97.3	Very high	62 Å²	62	50.3 Å²	50.3	32%	0.318	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-44.4	-175.5	-53.4	-55.7	0	0	0	112.4	K140 D143 S148 D149 F172 T176	K140-I145 HydrophobicContact CG-CD1 4.09Å; D143-I145 PolarHBondContact O-N 3.18Å; I145-S148 WeakPolarHBondContact O-CB 3.43Å; I145-S148 PolarHBondContact O-N 2.95Å; I145-S148 VanDerWaalsContact O-N 3.14Å; I145-D149 PolarHBondContact O-N 3.5Å; I145-F172 HydrophobicContact CG2-CE2 4.2Å; I145-F172 HydrophobicContact CG2-CZ 3.73Å; I145-T176 HydrophobicContact CD1-CG2 4.12Å; I145-T176 HydrophobicContact CG2-CG2 4.18Å
146	K	96.8	Very high	97.3	Very high	180 Å²	180	50.3 Å²	50.3	78%	0.783	23%	0.234	S	C	*	.	H	α-helix	trans	-62.4	-47.4	179.4	-66	-176.5	-179.8	-172	0	112.6	N144 S148 D149 E150	N144-K146 PolarHBondContact O-N 2.86Å; K146-S148 VanDerWaalsContact C-N 3.31Å; K146-S148 PolarHBondContact O-N 3.3Å; K146-D149 PolarHBondContact O-N 3.28Å; K146-E150 PolarHBondContact O-N 2.89Å; K146-E150 VanDerWaalsContact O-N 3.08Å
147	P	97.8	Very high	97.2	Very high	49 Å²	49	55.4 Å²	55.4	32%	0.318	26%	0.257	S	S	.	.	H	α-helix	trans	-59.1	-37.1	169.9	-30.8	38.9	0	0	0	114.3	E139 N144 E150 V151	E139-P147 HydrophobicContact CB-CB 4.48Å; E139-P147 HydrophobicContact CG-CB 4.18Å; N144-P147 HydrophobicContact CB-CB 4.2Å; N144-P147 HydrophobicContact CB-CG 3.92Å; N144-P147 WeakPolarHBondContact O-CD 3.4Å; P147-E150 PolarHBondContact O-N 3.39Å; P147-V151 VanDerWaalsContact O-CG2 3.3Å; P147-V151 WeakPolarHBondContact O-CG2 3.45Å; P147-V151 PolarHBondContact O-N 2.98Å
148	S	98.3	Very high	97.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-45.2	176.6	-170	0	0	0	0	112	A136 N144 I145 K146 E150 V151 Y152 F172	A136-S148 PolarHBondContact O-OG 3.35Å; N144-S148 WeakPolarHBondContact O-CB 3.35Å; N144-S148 PolarHBondContact O-N 3.05Å; I145-S148 WeakPolarHBondContact O-CB 3.43Å; I145-S148 PolarHBondContact O-N 2.95Å; I145-S148 VanDerWaalsContact O-N 3.14Å; K146-S148 VanDerWaalsContact C-N 3.31Å; K146-S148 PolarHBondContact O-N 3.3Å; S148-E150 PolarHBondContact O-N 3.29Å; S148-V151 WeakPolarHBondContact O-CB 3.26Å; S148-V151 PolarHBondContact O-N 3.14Å; S148-Y152 VanDerWaalsContact O-CD2 3.3Å; S148-Y152 WeakPolarHBondContact O-CD2 3.41Å; S148-Y152 PolarHBondContact O-N 3.1Å; S148-Y152 VanDerWaalsContact O-N 3.15Å; S148-F172 WeakPolarHBondContact OG-CE2 3.47Å
149	D	97.9	Very high	97.1	Very high	31 Å²	31	54.8 Å²	54.8	17%	0.166	26%	0.258	C	S	.	.	H	α-helix	trans	-57.2	-47.2	173	171.2	77.4	0	0	0	112	I145 K146 V151 Y152 R153 Y169 F172	I145-D149 PolarHBondContact O-N 3.5Å; K146-D149 PolarHBondContact O-N 3.28Å; D149-V151 VanDerWaalsContact C-N 3.3Å; D149-V151 PolarHBondContact O-N 3.36Å; D149-Y152 WeakPolarHBondContact O-CB 3.33Å; D149-Y152 PolarHBondContact O-N 3.02Å; D149-Y152 VanDerWaalsContact O-N 3.12Å; D149-R153 PolarHBondContact O-N 3.22Å; D149-R153 IonicContact OD1-NE 3.23Å; D149-R153 IonicContact OD2-CZ 3.6Å; D149-R153 VanDerWaalsContact OD2-CZ 3.23Å; D149-R153 IonicContact OD2-NE 3.63Å; D149-R153 PolarHBondContact OD2-NE 3.03Å; D149-R153 IonicContact OD2-NH2 3.09Å; D149-R153 PolarHBondContact OD2-NH2 3.23Å; D149-Y169 VanDerWaalsContact OD1-CE2 3.24Å; D149-Y169 WeakPolarHBondContact OD1-CE2 3.44Å; D149-Y169 PolarHBondContact OD1-OH 3.17Å; D149-F172 HydrophobicContact CB-CE1 3.83Å; D149-F172 HydrophobicContact CB-CZ 4.11Å
150	E	98.1	Very high	97	Very high	77 Å²	77	56 Å²	56	36%	0.36	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-38.3	176.8	-178.1	60.7	-149.1	0	0	112.3	K146 P147 S148 Y152 R153 R154	K146-E150 PolarHBondContact O-N 2.89Å; K146-E150 VanDerWaalsContact O-N 3.08Å; P147-E150 PolarHBondContact O-N 3.39Å; S148-E150 PolarHBondContact O-N 3.29Å; E150-Y152 VanDerWaalsContact C-N 3.34Å; E150-Y152 PolarHBondContact O-N 3.08Å; E150-R153 PolarHBondContact O-N 3.27Å; E150-R153 IonicContact OE2-CZ 2.66Å; E150-R153 IonicContact OE2-NH1 3.62Å; E150-R153 PolarHBondContact OE2-NH1 3.4Å; E150-R153 IonicContact OE2-NH2 2.89Å; E150-R153 PolarHBondContact OE2-NH2 3.05Å; E150-R154 HydrophobicContact CG-CG 4.46Å; E150-R154 WeakPolarHBondContact O-CB 3.43Å; E150-R154 WeakPolarHBondContact O-CG 3.49Å; E150-R154 PolarHBondContact O-N 3.47Å; E150-R154 WeakPolarHBondContact OE1-CG 3.28Å
151	V	98.6	Very high	97	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-41	175.7	172.3	0	0	0	0	111.3	W132 Y135 A136 E139 P147 S148 D149 G155	W132-V151 HydrophobicContact CE3-CG1 3.88Å; W132-V151 HydrophobicContact CZ3-CG1 4.35Å; Y135-V151 HydrophobicContact CD1-CB 4.27Å; Y135-V151 HydrophobicContact CD1-CG1 3.49Å; Y135-V151 VanDerWaalsContact CD1-CG1 3.49Å; Y135-V151 HydrophobicContact CD1-CG2 3.65Å; Y135-V151 HydrophobicContact CD2-CG2 4.42Å; Y135-V151 HydrophobicContact CE1-CG1 4.26Å; Y135-V151 HydrophobicContact CE1-CG2 3.61Å; Y135-V151 HydrophobicContact CE2-CG2 4.32Å; Y135-V151 HydrophobicContact CG-CG1 3.83Å; Y135-V151 HydrophobicContact CG-CG2 4.1Å; A136-V151 HydrophobicContact CB-CB 4.18Å; A136-V151 HydrophobicContact CB-CG1 3.88Å; E139-V151 HydrophobicContact CG-CG2 4.38Å; P147-V151 VanDerWaalsContact O-CG2 3.3Å; P147-V151 WeakPolarHBondContact O-CG2 3.45Å; P147-V151 PolarHBondContact O-N 2.98Å; S148-V151 WeakPolarHBondContact O-CB 3.26Å; S148-V151 PolarHBondContact O-N 3.14Å; D149-V151 VanDerWaalsContact C-N 3.3Å; D149-V151 PolarHBondContact O-N 3.36Å; V151-G155 PolarHBondContact O-N 3.17Å
152	Y	98.6	Very high	97.1	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-48.6	174.4	-81.2	-71	0	0	0	111.9	K133 A136 S148 D149 E150 R154 G155 L156 L165 H168 Y169 F172	K133-Y152 HydrophobicContact CD-CE1 4.16Å; K133-Y152 WeakPolarHBondContact CD-OH 3.43Å; K133-Y152 WeakPolarHBondContact CE-OH 3.45Å; A136-Y152 HydrophobicContact CB-CD2 3.69Å; A136-Y152 HydrophobicContact CB-CE1 4.27Å; A136-Y152 HydrophobicContact CB-CE2 3.36Å; A136-Y152 HydrophobicContact CB-CG 4.28Å; S148-Y152 VanDerWaalsContact O-CD2 3.3Å; S148-Y152 WeakPolarHBondContact O-CD2 3.41Å; S148-Y152 PolarHBondContact O-N 3.1Å; S148-Y152 VanDerWaalsContact O-N 3.15Å; D149-Y152 WeakPolarHBondContact O-CB 3.33Å; D149-Y152 PolarHBondContact O-N 3.02Å; D149-Y152 VanDerWaalsContact O-N 3.12Å; E150-Y152 VanDerWaalsContact C-N 3.34Å; E150-Y152 PolarHBondContact O-N 3.08Å; Y152-R154 PolarHBondContact O-N 2.98Å; Y152-G155 PolarHBondContact O-N 2.85Å; Y152-G155 VanDerWaalsContact O-N 3.15Å; Y152-L156 WeakPolarHBondContact O-CG 3.47Å; Y152-L156 PolarHBondContact O-N 3.37Å; Y152-L165 HydrophobicContact CD1-CD1 3.98Å; Y152-L165 HydrophobicContact CE1-CD1 4.14Å; Y152-H168 HydrophobicContact CE1-CB 3.8Å; Y152-Y169 HydrophobicContact CD1-CD2 4.18Å; Y152-Y169 HydrophobicContact CD1-CG 4.3Å; Y152-Y169 AromaticContact CD2-CD2 3.83Å; Y152-Y169 HydrophobicContact CD2-CD2 3.83Å; Y152-Y169 HydrophobicContact CD2-CE2 4.49Å; Y152-Y169 AromaticContact CG-CD2 3.55Å; Y152-Y169 HydrophobicContact CG-CD2 3.55Å; Y152-Y169 HydrophobicContact CG-CE2 4.36Å; Y152-Y169 HydrophobicContact CG-CG 4.07Å; Y152-F172 HydrophobicContact CD2-CB 4.39Å; Y152-F172 HydrophobicContact CD2-CD1 4.02Å; Y152-F172 HydrophobicContact CD2-CE1 4.47Å; Y152-F172 HydrophobicContact CD2-CG 4.06Å; Y152-F172 HydrophobicContact CE2-CB 3.69Å; Y152-F172 HydrophobicContact CE2-CD1 4.06Å; Y152-F172 AromaticContact CE2-CD2 3.91Å; Y152-F172 HydrophobicContact CE2-CD2 3.91Å; Y152-F172 AromaticContact CE2-CG 3.61Å; Y152-F172 HydrophobicContact CE2-CG 3.61Å
153	R	98.2	Very high	97.3	Very high	71 Å²	71	45.7 Å²	45.7	27%	0.268	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-45.6	-179.7	-69.2	-169.9	-77.1	120.7	7.1	112	M41 D149 E150 G155 L156 Q157 Y169	M41-R153 VanDerWaalsContact CE-CD 3.41Å; M41-R153 HydrophobicContact CE-CG 3.97Å; M41-R153 HydrophobicContact SD-CB 4.15Å; M41-R153 VanDerWaalsContact SD-CD 3.56Å; M41-R153 HydrophobicContact SD-CG 3.62Å; D149-R153 PolarHBondContact O-N 3.22Å; D149-R153 IonicContact OD1-NE 3.23Å; D149-R153 IonicContact OD2-CZ 3.6Å; D149-R153 VanDerWaalsContact OD2-CZ 3.23Å; D149-R153 IonicContact OD2-NE 3.63Å; D149-R153 PolarHBondContact OD2-NE 3.03Å; D149-R153 IonicContact OD2-NH2 3.09Å; D149-R153 PolarHBondContact OD2-NH2 3.23Å; E150-R153 PolarHBondContact O-N 3.27Å; E150-R153 IonicContact OE2-CZ 2.66Å; E150-R153 IonicContact OE2-NH1 3.62Å; E150-R153 PolarHBondContact OE2-NH1 3.4Å; E150-R153 IonicContact OE2-NH2 2.89Å; E150-R153 PolarHBondContact OE2-NH2 3.05Å; R153-G155 VanDerWaalsContact C-N 3.33Å; R153-G155 PolarHBondContact O-N 2.87Å; R153-L156 PolarHBondContact O-N 3.5Å; R153-Q157 WeakPolarHBondContact O-CB 3.38Å; R153-Q157 PolarHBondContact O-N 3.47Å; R153-Y169 HydrophobicContact CG-CE1 4.48Å
154	R	98.3	Very high	97.4	Very high	72 Å²	72	41.9 Å²	41.9	27%	0.272	21%	0.208	S	C	.	.	H	α-helix	trans	-61.2	-39.9	173.3	-70	-168.6	-57.8	146.5	-2.7	112.7	D119 W132 E150 Y152 Q157 A158	D119-R154 IonicContact OD1-CZ 3.71Å; D119-R154 IonicContact OD1-NH1 3.32Å; D119-R154 PolarHBondContact OD1-NH1 2.85Å; D119-R154 IonicContact OD1-NH2 3.81Å; D119-R154 PolarHBondContact OD1-NH2 2.78Å; W132-R154 HydrophobicContact CH2-CB 4.04Å; W132-R154 HydrophobicContact CZ3-CB 3.99Å; E150-R154 HydrophobicContact CG-CG 4.46Å; E150-R154 WeakPolarHBondContact O-CB 3.43Å; E150-R154 WeakPolarHBondContact O-CG 3.49Å; E150-R154 PolarHBondContact O-N 3.47Å; E150-R154 WeakPolarHBondContact OE1-CG 3.28Å; Y152-R154 PolarHBondContact O-N 2.98Å; R154-Q157 PolarHBondContact O-N 3.44Å; R154-A158 WeakPolarHBondContact O-CB 3.29Å; R154-A158 PolarHBondContact O-N 3.21Å
155	G	98.1	Very high	97.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-43.3	176.3	0	0	0	0	0	112.5	W132 V151 Y152 R153 A158 I159	W132-G155 VanDerWaalsContact CD2-CA 3.46Å; V151-G155 PolarHBondContact O-N 3.17Å; Y152-G155 PolarHBondContact O-N 2.85Å; Y152-G155 VanDerWaalsContact O-N 3.15Å; R153-G155 VanDerWaalsContact C-N 3.33Å; R153-G155 PolarHBondContact O-N 2.87Å; G155-A158 PolarHBondContact O-N 3.37Å; G155-I159 WeakPolarHBondContact O-CG2 3.44Å; G155-I159 PolarHBondContact O-N 3.19Å
156	L	98	Very high	97.7	Very high	6 Å²	6	37 Å²	37	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-70.5	-33.2	177.7	-69.3	169.4	0	0	0	112.5	Y152 R153 A158 I159 P160 L165 W166 Y169	Y152-L156 WeakPolarHBondContact O-CG 3.47Å; Y152-L156 PolarHBondContact O-N 3.37Å; R153-L156 PolarHBondContact O-N 3.5Å; L156-A158 VanDerWaalsContact C-N 3.26Å; L156-A158 PolarHBondContact O-N 3.4Å; L156-I159 CarbonylContact O-C 3.35Å; L156-P160 WeakPolarHBondContact O-CA 3.5Å; L156-P160 WeakPolarHBondContact O-CB 3.36Å; L156-P160 VanDerWaalsContact O-CD 3.28Å; L156-P160 WeakPolarHBondContact O-CD 3.43Å; L156-L165 HydrophobicContact CD2-CB 3.99Å; L156-L165 HydrophobicContact CD2-CD2 3.84Å; L156-L165 HydrophobicContact CD2-CG 3.71Å; L156-L165 HydrophobicContact CG-CD2 4.11Å; L156-L165 HydrophobicContact CG-CG 4.12Å; L156-W166 HydrophobicContact CB-CZ2 4.29Å; L156-W166 HydrophobicContact CD1-CD2 3.9Å; L156-W166 HydrophobicContact CD1-CE3 3.57Å; L156-W166 HydrophobicContact CD1-CH2 3.89Å; L156-W166 HydrophobicContact CD1-CZ2 4.18Å; L156-W166 HydrophobicContact CD1-CZ3 3.59Å; L156-W166 HydrophobicContact CD2-CD2 3.55Å; L156-W166 HydrophobicContact CD2-CE3 4.14Å; L156-W166 HydrophobicContact CD2-CG 3.72Å; L156-W166 HydrophobicContact CD2-CZ2 4.09Å; L156-W166 HydrophobicContact CG-CD2 4.32Å; L156-W166 HydrophobicContact CG-CE3 4.47Å; L156-W166 HydrophobicContact CG-CZ2 4.42Å; L156-Y169 HydrophobicContact CD1-CD1 3.59Å; L156-Y169 HydrophobicContact CD1-CE1 4.31Å; L156-Y169 HydrophobicContact CD1-CG 4.08Å
157	Q	96.3	Very high	97.8	Very high	107 Å²	107	28.4 Å²	28.4	50%	0.5	14%	0.144	S	C	.	.	H	α-helix	trans	-62.5	-36.4	169.5	-165.2	-178.8	31.2	0	0	111.4	T39 R153 R154	T39-Q157 HydrophobicContact CG2-CG 4.14Å; T39-Q157 PolarHBondContact O-NE2 2.86Å; R153-Q157 WeakPolarHBondContact O-CB 3.38Å; R153-Q157 PolarHBondContact O-N 3.47Å; R154-Q157 PolarHBondContact O-N 3.44Å
158	A	95.4	Very high	97.8	Very high	31 Å²	31	28.9 Å²	28.9	26%	0.256	14%	0.142	S	C	.	.	H	α-helix	trans	-81	-34.6	-179.4	0	0	0	0	0	113.6	P126 Y127 W132 R154 G155 L156	P126-A158 HydrophobicContact CB-CB 3.89Å; Y127-A158 VanDerWaalsContact CE1-O 3.27Å; Y127-A158 WeakPolarHBondContact CE1-O 3.37Å; W132-A158 HydrophobicContact CZ2-CB 4.1Å; R154-A158 WeakPolarHBondContact O-CB 3.29Å; R154-A158 PolarHBondContact O-N 3.21Å; G155-A158 PolarHBondContact O-N 3.37Å; L156-A158 VanDerWaalsContact C-N 3.26Å; L156-A158 PolarHBondContact O-N 3.4Å
159	I	96.6	Very high	97.8	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.026	14%	0.143	C	C	.	.			trans	-139.9	75.4	177.9	-174	173.5	0	0	0	111.4	Y127 G155 L156 L161 S162 L165 I381	Y127-I159 HydrophobicContact CD1-CB 4.01Å; Y127-I159 HydrophobicContact CD1-CD1 4.31Å; Y127-I159 HydrophobicContact CD1-CG1 4.28Å; Y127-I159 HydrophobicContact CG-CD1 4.3Å; G155-I159 WeakPolarHBondContact O-CG2 3.44Å; G155-I159 PolarHBondContact O-N 3.19Å; L156-I159 CarbonylContact O-C 3.35Å; I159-L161 PolarHBondContact O-N 2.98Å; I159-S162 PolarHBondContact O-N 3.31Å; I159-L165 HydrophobicContact CG2-CD2 4.04Å; I159-I381 HydrophobicContact CD1-CD1 4.19Å; I159-I381 HydrophobicContact CD1-CG1 4.32Å; I159-I381 HydrophobicContact CD1-CG2 3.83Å; I159-I381 HydrophobicContact CG1-CD1 3.92Å; I159-I381 HydrophobicContact CG1-CG1 4.35Å
160	P	96.7	Very high	97.8	Very high	26 Å²	26	27.8 Å²	27.8	17%	0.169	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.9	-174.2	20.8	-28.8	0	0	0	113.7	L156 S162 W166 A198	L156-P160 WeakPolarHBondContact O-CA 3.5Å; L156-P160 WeakPolarHBondContact O-CB 3.36Å; L156-P160 VanDerWaalsContact O-CD 3.28Å; L156-P160 WeakPolarHBondContact O-CD 3.43Å; P160-S162 VanDerWaalsContact C-N 3.28Å; P160-S162 PolarHBondContact O-N 3Å; P160-W166 PolarHBondContact O-NE1 3.33Å; P160-A198 HydrophobicContact CB-CB 4.24Å
161	L	96.3	Very high	97.9	Very high	18 Å²	18	26.6 Å²	26.6	9%	0.094	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	2.5	179.8	-73.9	79.9	0	0	0	113.7	I159 V163 V374 E377 R378 I381	I159-L161 PolarHBondContact O-N 2.98Å; L161-V163 PolarHBondContact O-N 2.8Å; L161-V374 HydrophobicContact CD2-CG1 4.37Å; L161-E377 HydrophobicContact CD1-CB 4.11Å; L161-E377 HydrophobicContact CD2-CB 3.84Å; L161-R378 HydrophobicContact CD2-CG 3.54Å; L161-I381 HydrophobicContact CB-CD1 3.8Å
162	S	97.8	Very high	97.8	Very high	11 Å²	11	26.7 Å²	26.7	8%	0.077	13%	0.132	C	C	.	.			trans	-77.8	94.3	177.3	-175.2	0	0	0	0	111.3	Y129 I159 P160 D164 L165 W166	Y129-S162 WeakPolarHBondContact CB-OG 3.26Å; I159-S162 PolarHBondContact O-N 3.31Å; P160-S162 VanDerWaalsContact C-N 3.28Å; P160-S162 PolarHBondContact O-N 3Å; S162-D164 PolarHBondContact O-N 2.89Å; S162-L165 PolarHBondContact O-N 3.33Å; S162-L165 WeakPolarHBondContact OG-CB 3.12Å; S162-L165 PolarHBondContact OG-N 2.74Å; S162-W166 PolarHBondContact O-N 3.44Å; S162-W166 VanDerWaalsContact O-N 3.14Å
163	V	98	Very high	97.8	Very high	17 Å²	17	26.8 Å²	26.8	10%	0.103	13%	0.133	C	C	.	.	H	α-helix	trans	-51.5	-44.3	174.3	176.2	0	0	0	0	111.5	L161 L165 W166 I167 A199 D202 L208	L161-V163 PolarHBondContact O-N 2.8Å; V163-L165 PolarHBondContact O-N 2.66Å; V163-W166 PolarHBondContact O-N 3.29Å; V163-I167 HydrophobicContact CG1-CD1 3.84Å; V163-I167 VanDerWaalsContact O-CG1 3.31Å; V163-I167 WeakPolarHBondContact O-CG1 3.27Å; V163-I167 PolarHBondContact O-N 3.05Å; V163-A199 HydrophobicContact CG2-CB 4.08Å; V163-D202 HydrophobicContact CG2-CB 4.22Å; V163-L208 HydrophobicContact CG1-CB 4.02Å
164	D	98.2	Very high	97.7	Very high	59 Å²	59	26.9 Å²	26.9	32%	0.316	14%	0.135	S	C	.	.	H	α-helix	trans	-62.7	-39.4	178.7	-74	-34.3	0	0	0	112.6	Y129 S162 I167 H168	Y129-D164 HydrophobicContact CD2-CB 4.02Å; Y129-D164 HydrophobicContact CE2-CB 3.45Å; Y129-D164 VanDerWaalsContact CE2-CB 3.45Å; Y129-D164 VanDerWaalsContact CZ-OD2 3.29Å; Y129-D164 PolarHBondContact OH-OD2 3.49Å; S162-D164 PolarHBondContact O-N 2.89Å; D164-I167 PolarHBondContact O-N 3.31Å; D164-H168 PolarHBondContact O-CD2 2.71Å; D164-H168 VanDerWaalsContact O-CG 3.3Å; D164-H168 PolarHBondContact O-N 2.99Å
165	L	98.4	Very high	97.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.3	-41.6	-180	-171.2	58	0	0	0	111.5	W132 Y152 L156 I159 S162 V163 H168 Y169	W132-L165 HydrophobicContact CB-CD1 4.09Å; W132-L165 HydrophobicContact CB-CD2 4.38Å; Y152-L165 HydrophobicContact CD1-CD1 3.98Å; Y152-L165 HydrophobicContact CE1-CD1 4.14Å; L156-L165 HydrophobicContact CD2-CB 3.99Å; L156-L165 HydrophobicContact CD2-CD2 3.84Å; L156-L165 HydrophobicContact CD2-CG 3.71Å; L156-L165 HydrophobicContact CG-CD2 4.11Å; L156-L165 HydrophobicContact CG-CG 4.12Å; I159-L165 HydrophobicContact CG2-CD2 4.04Å; S162-L165 PolarHBondContact O-N 3.33Å; S162-L165 WeakPolarHBondContact OG-CB 3.12Å; S162-L165 PolarHBondContact OG-N 2.74Å; V163-L165 PolarHBondContact O-N 2.66Å; L165-H168 PolarHBondContact O-N 3.33Å; L165-Y169 PolarHBondContact O-N 3Å
166	W	98.6	Very high	97.4	Very high	10 Å²	10	32 Å²	32	4%	0.038	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-46.7	172.1	-79.7	112.5	0	0	0	111.8	L156 P160 S162 V163 H168 Y169 I170 T191 H194 A195 A198	L156-W166 HydrophobicContact CB-CZ2 4.29Å; L156-W166 HydrophobicContact CD1-CD2 3.9Å; L156-W166 HydrophobicContact CD1-CE3 3.57Å; L156-W166 HydrophobicContact CD1-CH2 3.89Å; L156-W166 HydrophobicContact CD1-CZ2 4.18Å; L156-W166 HydrophobicContact CD1-CZ3 3.59Å; L156-W166 HydrophobicContact CD2-CD2 3.55Å; L156-W166 HydrophobicContact CD2-CE3 4.14Å; L156-W166 HydrophobicContact CD2-CG 3.72Å; L156-W166 HydrophobicContact CD2-CZ2 4.09Å; L156-W166 HydrophobicContact CG-CD2 4.32Å; L156-W166 HydrophobicContact CG-CE3 4.47Å; L156-W166 HydrophobicContact CG-CZ2 4.42Å; P160-W166 PolarHBondContact O-NE1 3.33Å; S162-W166 PolarHBondContact O-N 3.44Å; S162-W166 VanDerWaalsContact O-N 3.14Å; V163-W166 PolarHBondContact O-N 3.29Å; W166-H168 VanDerWaalsContact C-N 3.26Å; W166-H168 PolarHBondContact O-N 2.83Å; W166-Y169 HydrophobicContact CE3-CD1 4.35Å; W166-Y169 HydrophobicContact CZ3-CD1 4.27Å; W166-Y169 PolarHBondContact O-N 2.76Å; W166-Y169 VanDerWaalsContact O-N 3.13Å; W166-I170 WeakPolarHBondContact O-CG1 3.37Å; W166-I170 PolarHBondContact O-N 3.06Å; W166-T191 HydrophobicContact CE3-CG2 4.3Å; W166-T191 HydrophobicContact CZ3-CG2 4.09Å; W166-H194 HydrophobicContact CH2-CB 3.91Å; W166-H194 HydrophobicContact CZ3-CB 4.28Å; W166-A195 HydrophobicContact CB-CB 3.95Å; W166-A195 HydrophobicContact CD2-CB 3.49Å; W166-A195 VanDerWaalsContact CD2-CB 3.49Å; W166-A195 HydrophobicContact CE3-CB 3.54Å; W166-A195 HydrophobicContact CG-CB 3.69Å; W166-A195 HydrophobicContact CZ3-CB 4.21Å; W166-A198 HydrophobicContact CZ2-CB 3.99Å
167	I	98.6	Very high	97.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-58.6	-42.4	176.9	-71.4	168.9	0	0	0	110.5	V163 D164 N171 R207 L208 M211	V163-I167 HydrophobicContact CG1-CD1 3.84Å; V163-I167 VanDerWaalsContact O-CG1 3.31Å; V163-I167 WeakPolarHBondContact O-CG1 3.27Å; V163-I167 PolarHBondContact O-N 3.05Å; D164-I167 PolarHBondContact O-N 3.31Å; I167-N171 WeakPolarHBondContact CG2-ND2 3.31Å; I167-N171 WeakPolarHBondContact O-CB 3.35Å; I167-N171 PolarHBondContact O-N 3.35Å; I167-N171 VanDerWaalsContact O-N 3.08Å; I167-N171 PolarHBondContact O-ND2 2.92Å; I167-R207 HydrophobicContact CD1-CB 3.99Å; I167-R207 HydrophobicContact CD1-CG 3.77Å; I167-L208 HydrophobicContact CG1-CB 4.5Å; I167-L208 HydrophobicContact CG1-CD1 4.36Å; I167-M211 HydrophobicContact CB-CE 4.23Å; I167-M211 HydrophobicContact CG1-CE 3.99Å; I167-M211 HydrophobicContact CG2-CE 4.17Å; I167-M211 HydrophobicContact CG2-SD 4.06Å
168	H	98.7	Very high	97	Very high	58 Å²	58	34.1 Å²	34.1	27%	0.269	18%	0.18	S	C	.	.	H	α-helix	trans	-64.6	-40.5	176.1	-73.1	-45	0	0	0	113.1	K133 Y152 D164 L165 W166 N171 F172	K133-H168 HydrophobicContact CD-CB 3.77Å; K133-H168 VanDerWaalsContact CE-ND1 3.27Å; K133-H168 WeakPolarHBondContact CE-ND1 3.42Å; Y152-H168 HydrophobicContact CE1-CB 3.8Å; D164-H168 PolarHBondContact O-CD2 2.71Å; D164-H168 VanDerWaalsContact O-CG 3.3Å; D164-H168 PolarHBondContact O-N 2.99Å; L165-H168 PolarHBondContact O-N 3.33Å; W166-H168 VanDerWaalsContact C-N 3.26Å; W166-H168 PolarHBondContact O-N 2.83Å; H168-N171 PolarHBondContact O-N 3.49Å; H168-F172 WeakPolarHBondContact O-CB 2.97Å; H168-F172 PolarHBondContact O-N 3.31Å
169	Y	98.7	Very high	96.7	Very high	8 Å²	8	38.5 Å²	38.5	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-45.8	178.3	-178.2	-140.1	0	0	0	111.9	D149 Y152 R153 L156 L165 W166 N171 F172 L173 T191	D149-Y169 VanDerWaalsContact OD1-CE2 3.24Å; D149-Y169 WeakPolarHBondContact OD1-CE2 3.44Å; D149-Y169 PolarHBondContact OD1-OH 3.17Å; Y152-Y169 HydrophobicContact CD1-CD2 4.18Å; Y152-Y169 HydrophobicContact CD1-CG 4.3Å; Y152-Y169 AromaticContact CD2-CD2 3.83Å; Y152-Y169 HydrophobicContact CD2-CD2 3.83Å; Y152-Y169 HydrophobicContact CD2-CE2 4.49Å; Y152-Y169 AromaticContact CG-CD2 3.55Å; Y152-Y169 HydrophobicContact CG-CD2 3.55Å; Y152-Y169 HydrophobicContact CG-CE2 4.36Å; Y152-Y169 HydrophobicContact CG-CG 4.07Å; R153-Y169 HydrophobicContact CG-CE1 4.48Å; L156-Y169 HydrophobicContact CD1-CD1 3.59Å; L156-Y169 HydrophobicContact CD1-CE1 4.31Å; L156-Y169 HydrophobicContact CD1-CG 4.08Å; L165-Y169 PolarHBondContact O-N 3Å; W166-Y169 HydrophobicContact CE3-CD1 4.35Å; W166-Y169 HydrophobicContact CZ3-CD1 4.27Å; W166-Y169 PolarHBondContact O-N 2.76Å; W166-Y169 VanDerWaalsContact O-N 3.13Å; Y169-N171 VanDerWaalsContact C-N 3.33Å; Y169-N171 PolarHBondContact O-N 2.91Å; Y169-F172 AromaticContact CD2-CD1 3.92Å; Y169-F172 HydrophobicContact CD2-CD1 3.92Å; Y169-F172 HydrophobicContact CE2-CD1 4.01Å; Y169-F172 HydrophobicContact CE2-CE1 4.31Å; Y169-F172 WeakPolarHBondContact O-CA 3.27Å; Y169-F172 WeakPolarHBondContact O-CB 3.48Å; Y169-F172 PolarHBondContact O-N 3.44Å; Y169-F172 VanDerWaalsContact O-N 3.08Å; Y169-L173 HydrophobicContact CD2-CG 4.19Å; Y169-L173 HydrophobicContact CE1-CD1 4.07Å; Y169-L173 HydrophobicContact CE2-CD1 4.13Å; Y169-L173 HydrophobicContact CE2-CD2 3.77Å; Y169-L173 HydrophobicContact CE2-CG 3.85Å; Y169-L173 WeakPolarHBondContact O-CG 3.33Å; Y169-L173 PolarHBondContact O-N 3.33Å; Y169-T191 HydrophobicContact CD1-CG2 3.74Å; Y169-T191 HydrophobicContact CE1-CG2 3.82Å
170	I	98.6	Very high	96.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-42.4	177.5	-67.5	159.6	0	0	0	111.2	W166 F172 L173 K174 T191 F192 A195 L208 M211	W166-I170 WeakPolarHBondContact O-CG1 3.37Å; W166-I170 PolarHBondContact O-N 3.06Å; I170-F172 VanDerWaalsContact C-N 3.33Å; I170-L173 PolarHBondContact O-N 2.96Å; I170-K174 HydrophobicContact CG2-CD 4.35Å; I170-K174 WeakPolarHBondContact O-CG 3.33Å; I170-K174 PolarHBondContact O-N 3.47Å; I170-T191 HydrophobicContact CG1-CG2 3.7Å; I170-F192 HydrophobicContact CD1-CD1 3.68Å; I170-F192 HydrophobicContact CD1-CE1 3.76Å; I170-F192 HydrophobicContact CD1-CG 4.26Å; I170-F192 HydrophobicContact CD1-CZ 4.4Å; I170-F192 HydrophobicContact CG2-CE1 4.04Å; I170-F192 HydrophobicContact CG2-CE2 3.82Å; I170-F192 HydrophobicContact CG2-CZ 3.56Å; I170-A195 HydrophobicContact CD1-CB 4.27Å; I170-L208 HydrophobicContact CD1-CD1 3.86Å; I170-M211 HydrophobicContact CB-CE 3.78Å; I170-M211 HydrophobicContact CD1-CE 3.77Å; I170-M211 HydrophobicContact CG1-CE 4.39Å; I170-M211 HydrophobicContact CG2-CE 3.63Å
171	N	98.4	Very high	96.1	Very high	52 Å²	52	43.4 Å²	43.4	28%	0.278	25%	0.245	S	C	.	.	H	α-helix	trans	-64.4	-39.1	174.9	-73.2	-48.7	0	0	0	111.9	I167 H168 Y169 L173 K174 E175	I167-N171 WeakPolarHBondContact CG2-ND2 3.31Å; I167-N171 WeakPolarHBondContact O-CB 3.35Å; I167-N171 PolarHBondContact O-N 3.35Å; I167-N171 VanDerWaalsContact O-N 3.08Å; I167-N171 PolarHBondContact O-ND2 2.92Å; H168-N171 PolarHBondContact O-N 3.49Å; Y169-N171 VanDerWaalsContact C-N 3.33Å; Y169-N171 PolarHBondContact O-N 2.91Å; N171-L173 PolarHBondContact O-N 3.18Å; N171-K174 PolarHBondContact O-N 3.34Å; N171-E175 WeakPolarHBondContact O-CB 3.32Å; N171-E175 VanDerWaalsContact O-CG 3.3Å; N171-E175 WeakPolarHBondContact O-CG 3.46Å; N171-E175 PolarHBondContact O-N 3.32Å
172	F	98.3	Very high	95.7	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-45	173.8	162.1	-92.8	0	0	0	111.9	K140 I145 S148 D149 Y152 H168 Y169 I170 E175 T176	K140-F172 HydrophobicContact CD-CD2 4.24Å; K140-F172 HydrophobicContact CD-CE2 4.44Å; I145-F172 HydrophobicContact CG2-CE2 4.2Å; I145-F172 HydrophobicContact CG2-CZ 3.73Å; S148-F172 WeakPolarHBondContact OG-CE2 3.47Å; D149-F172 HydrophobicContact CB-CE1 3.83Å; D149-F172 HydrophobicContact CB-CZ 4.11Å; Y152-F172 HydrophobicContact CD2-CB 4.39Å; Y152-F172 HydrophobicContact CD2-CD1 4.02Å; Y152-F172 HydrophobicContact CD2-CE1 4.47Å; Y152-F172 HydrophobicContact CD2-CG 4.06Å; Y152-F172 HydrophobicContact CE2-CB 3.69Å; Y152-F172 HydrophobicContact CE2-CD1 4.06Å; Y152-F172 AromaticContact CE2-CD2 3.91Å; Y152-F172 HydrophobicContact CE2-CD2 3.91Å; Y152-F172 AromaticContact CE2-CG 3.61Å; Y152-F172 HydrophobicContact CE2-CG 3.61Å; H168-F172 WeakPolarHBondContact O-CB 2.97Å; H168-F172 PolarHBondContact O-N 3.31Å; Y169-F172 AromaticContact CD2-CD1 3.92Å; Y169-F172 HydrophobicContact CD2-CD1 3.92Å; Y169-F172 HydrophobicContact CE2-CD1 4.01Å; Y169-F172 HydrophobicContact CE2-CE1 4.31Å; Y169-F172 WeakPolarHBondContact O-CA 3.27Å; Y169-F172 WeakPolarHBondContact O-CB 3.48Å; Y169-F172 PolarHBondContact O-N 3.44Å; Y169-F172 VanDerWaalsContact O-N 3.08Å; I170-F172 VanDerWaalsContact C-N 3.33Å; F172-E175 PolarHBondContact O-N 2.96Å; F172-T176 HydrophobicContact CD2-CG2 3.96Å; F172-T176 HydrophobicContact CE2-CG2 3.75Å; F172-T176 HydrophobicContact CZ-CG2 4.28Å; F172-T176 WeakPolarHBondContact O-CB 3.41Å; F172-T176 WeakPolarHBondContact O-CG2 3.5Å; F172-T176 PolarHBondContact O-N 2.95Å; F172-T176 VanDerWaalsContact O-N 3.08Å; F172-T176 PolarHBondContact O-OG1 2.78Å
173	L	97.5	Very high	95.5	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-45.2	177	-66.2	179.7	0	0	0	111.6	Y169 I170 N171 E175 T176 L177 I188 T191	Y169-L173 HydrophobicContact CD2-CG 4.19Å; Y169-L173 HydrophobicContact CE1-CD1 4.07Å; Y169-L173 HydrophobicContact CE2-CD1 4.13Å; Y169-L173 HydrophobicContact CE2-CD2 3.77Å; Y169-L173 HydrophobicContact CE2-CG 3.85Å; Y169-L173 WeakPolarHBondContact O-CG 3.33Å; Y169-L173 PolarHBondContact O-N 3.33Å; I170-L173 PolarHBondContact O-N 2.96Å; N171-L173 PolarHBondContact O-N 3.18Å; L173-E175 PolarHBondContact O-N 2.94Å; L173-T176 PolarHBondContact O-N 3.42Å; L173-L177 HydrophobicContact CB-CD1 3.98Å; L173-L177 HydrophobicContact CB-CG 4.38Å; L173-L177 HydrophobicContact CD2-CD1 4.22Å; L173-L177 HydrophobicContact CD2-CG 4.38Å; L173-L177 WeakPolarHBondContact O-CB 3.5Å; L173-L177 WeakPolarHBondContact O-CG 3.49Å; L173-L177 PolarHBondContact O-N 3.27Å; L173-I188 HydrophobicContact CB-CG1 4.39Å; L173-T191 HydrophobicContact CD1-CG2 3.97Å; L173-T191 WeakPolarHBondContact CD1-OG1 3.42Å
174	K	95.4	Very high	95.3	Very high	73 Å²	73	53.3 Å²	53.3	32%	0.317	30%	0.298	S	S	.	.	H	α-helix	trans	-58.6	-32	175.5	-73.5	-179.6	176.4	-169.5	0	113.2	I170 N171 I188	I170-K174 HydrophobicContact CG2-CD 4.35Å; I170-K174 WeakPolarHBondContact O-CG 3.33Å; I170-K174 PolarHBondContact O-N 3.47Å; N171-K174 PolarHBondContact O-N 3.34Å; K174-I188 HydrophobicContact CG-CD1 4.06Å
175	E	95.9	Very high	95.1	Very high	135 Å²	135	53.4 Å²	53.4	63%	0.631	30%	0.299	S	S	*	.	H	α-helix	trans	-83.9	-22.8	179.7	-73.8	177.3	-160.1	0	0	114	K140 N171 F172 L173	K140-E175 IonicContact NZ-OE2 2.88Å; K140-E175 PolarHBondContact NZ-OE2 2.83Å; N171-E175 WeakPolarHBondContact O-CB 3.32Å; N171-E175 VanDerWaalsContact O-CG 3.3Å; N171-E175 WeakPolarHBondContact O-CG 3.46Å; N171-E175 PolarHBondContact O-N 3.32Å; F172-E175 PolarHBondContact O-N 2.96Å; L173-E175 PolarHBondContact O-N 2.94Å
176	T	95.1	Very high	94.9	Very high	43 Å²	43	58.3 Å²	58.3	26%	0.264	33%	0.325	S	S	.	.	H	α-helix	trans	-119.1	-21.6	-166.7	58.3	0	0	0	0	114.9	I145 F172 L173	I145-T176 HydrophobicContact CD1-CG2 4.12Å; I145-T176 HydrophobicContact CG2-CG2 4.18Å; F172-T176 HydrophobicContact CD2-CG2 3.96Å; F172-T176 HydrophobicContact CE2-CG2 3.75Å; F172-T176 HydrophobicContact CZ-CG2 4.28Å; F172-T176 WeakPolarHBondContact O-CB 3.41Å; F172-T176 WeakPolarHBondContact O-CG2 3.5Å; F172-T176 PolarHBondContact O-N 2.95Å; F172-T176 VanDerWaalsContact O-N 3.08Å; F172-T176 PolarHBondContact O-OG1 2.78Å; L173-T176 PolarHBondContact O-N 3.42Å
177	L	93.8	Very high	94.8	Very high	53 Å²	53	60.9 Å²	60.9	28%	0.277	34%	0.342	S	S	.	.	S	Bend	trans	-76.8	147.1	174.7	-67.4	178.8	0	0	0	111.1	L173 P179 T184 T187 I188	L173-L177 HydrophobicContact CB-CD1 3.98Å; L173-L177 HydrophobicContact CB-CG 4.38Å; L173-L177 HydrophobicContact CD2-CD1 4.22Å; L173-L177 HydrophobicContact CD2-CG 4.38Å; L173-L177 WeakPolarHBondContact O-CB 3.5Å; L173-L177 WeakPolarHBondContact O-CG 3.49Å; L173-L177 PolarHBondContact O-N 3.27Å; L177-P179 WeakPolarHBondContact O-CD 3.39Å; L177-T184 HydrophobicContact CB-CG2 3.59Å; L177-T184 HydrophobicContact CD1-CG2 3.99Å; L177-T184 HydrophobicContact CG-CG2 4.45Å; L177-T187 HydrophobicContact CD1-CG2 4.22Å; L177-I188 HydrophobicContact CD1-CD1 4.49Å; L177-I188 HydrophobicContact CD1-CG1 4.2Å
178	D	91.9	Very high	94.7	Very high	106 Å²	106	61.1 Å²	61.1	57%	0.567	34%	0.344	S	S	*	.			trans	-75	119.3	178	-175.2	0.2	0	0	0	110.2	G180 D181 T184	D178-G180 PolarHBondContact O-N 2.96Å; D178-G180 PolarHBondContact OD1-N 2.76Å; D178-D181 HydrophobicContact CB-CB 4.35Å; D178-D181 PolarHBondContact O-N 3Å; D178-D181 VanDerWaalsContact O-N 3.13Å; D178-T184 WeakPolarHBondContact O-CB 3.37Å; D178-T184 PolarHBondContact O-OG1 3.16Å
179	P	89.5	Confident	94.6	Very high	123 Å²	123	61 Å²	61	80%	0.799	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.3	175	-20.7	33.7	0	0	0	113.8	L177 D181	L177-P179 WeakPolarHBondContact O-CD 3.39Å; P179-D181 VanDerWaalsContact C-N 3.33Å
180	G	87.5	Confident	94.5	Very high	62 Å²	62	61.8 Å²	61.8	64%	0.639	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.5	176	0	0	0	0	0	114.3	D178	D178-G180 PolarHBondContact O-N 2.96Å; D178-G180 PolarHBondContact OD1-N 2.76Å
181	D	92.9	Very high	94.5	Very high	72 Å²	72	62.3 Å²	62.3	39%	0.385	35%	0.354	S	S	.	.			trans	-82.8	121.6	178.8	-173.3	-14	0	0	0	110.7	D178 P179 E183 T184	D178-D181 HydrophobicContact CB-CB 4.35Å; D178-D181 PolarHBondContact O-N 3Å; D178-D181 VanDerWaalsContact O-N 3.13Å; P179-D181 VanDerWaalsContact C-N 3.33Å; D181-E183 PolarHBondContact O-N 3.44Å; D181-E183 PolarHBondContact OD1-N 3.36Å; D181-T184 WeakPolarHBondContact O-CB 3.28Å; D181-T184 PolarHBondContact O-N 2.84Å
182	P	87.8	Confident	94.5	Very high	111 Å²	111	59.8 Å²	59.8	72%	0.721	34%	0.341	S	S	*	.	H	α-helix	trans	-57.1	-26.7	175.9	-24	34.4	0	0	0	114.4
183	E	93.7	Very high	94.5	Very high	132 Å²	132	62.1 Å²	62.1	62%	0.617	35%	0.351	S	S	*	.	H	α-helix	trans	-77.6	-22.5	-179.1	-65.9	-172.8	178	0	0	112.9	D181 N185 N186 T187	D181-E183 PolarHBondContact O-N 3.44Å; D181-E183 PolarHBondContact OD1-N 3.36Å; E183-N185 VanDerWaalsContact C-N 3.33Å; E183-N185 PolarHBondContact O-N 3.32Å; E183-N186 WeakPolarHBondContact O-CB 3.39Å; E183-N186 PolarHBondContact O-N 3.09Å; E183-T187 PolarHBondContact O-N 3.48Å; E183-T187 PolarHBondContact O-OG1 2.84Å
184	T	94	Very high	94.5	Very high	10 Å²	10	66.1 Å²	66.1	6%	0.061	37%	0.37	C	S	.	.	H	α-helix	trans	-53.4	-47.6	-176.9	-71.1	0	0	0	0	112.5	L177 D178 D181 N186 T187 I188	L177-T184 HydrophobicContact CB-CG2 3.59Å; L177-T184 HydrophobicContact CD1-CG2 3.99Å; L177-T184 HydrophobicContact CG-CG2 4.45Å; D178-T184 WeakPolarHBondContact O-CB 3.37Å; D178-T184 PolarHBondContact O-OG1 3.16Å; D181-T184 WeakPolarHBondContact O-CB 3.28Å; D181-T184 PolarHBondContact O-N 2.84Å; T184-N186 VanDerWaalsContact C-N 3.34Å; T184-N186 PolarHBondContact O-N 3.23Å; T184-T187 PolarHBondContact O-N 3.27Å; T184-I188 HydrophobicContact CG2-CD1 3.9Å; T184-I188 WeakPolarHBondContact O-CG1 3.46Å; T184-I188 PolarHBondContact O-N 3.49Å
185	N	93.4	Very high	94.7	Very high	62 Å²	62	62.7 Å²	62.7	33%	0.332	36%	0.355	S	S	.	.	H	α-helix	trans	-67.4	-34.5	179.5	-82.9	-10.9	0	0	0	112.5	E183 R189 W215 Q219	E183-N185 VanDerWaalsContact C-N 3.33Å; E183-N185 PolarHBondContact O-N 3.32Å; N185-R189 WeakPolarHBondContact O-CB 3.22Å; N185-R189 PolarHBondContact O-N 2.95Å; N185-W215 HydrophobicContact CB-CZ2 4.35Å; N185-W215 WeakPolarHBondContact O-CH2 3.36Å; N185-Q219 PolarHBondContact ND2-OE1 3.28Å
186	N	94.4	Very high	94.7	Very high	102 Å²	102	56.5 Å²	56.5	55%	0.545	33%	0.327	S	S	.	.	H	α-helix	trans	-69.8	-41.6	176.9	-68.7	-22	0	0	0	111	E183 T184 R189 G190	E183-N186 WeakPolarHBondContact O-CB 3.39Å; E183-N186 PolarHBondContact O-N 3.09Å; T184-N186 VanDerWaalsContact C-N 3.34Å; T184-N186 PolarHBondContact O-N 3.23Å; N186-R189 PolarHBondContact O-N 2.99Å; N186-G190 PolarHBondContact O-N 3.16Å
187	T	95.9	Very high	94.8	Very high	65 Å²	65	58.5 Å²	58.5	40%	0.399	34%	0.335	S	S	.	.	H	α-helix	trans	-61.8	-44.5	174.8	-60.4	0	0	0	0	111.6	L177 E183 T184 G190 T191	L177-T187 HydrophobicContact CD1-CG2 4.22Å; E183-T187 PolarHBondContact O-N 3.48Å; E183-T187 PolarHBondContact O-OG1 2.84Å; T184-T187 PolarHBondContact O-N 3.27Å; T187-G190 PolarHBondContact O-N 3.41Å; T187-T191 WeakPolarHBondContact O-CB 3.49Å; T187-T191 PolarHBondContact O-N 3.1Å; T187-T191 PolarHBondContact O-OG1 3.13Å
188	I	96.6	Very high	94.9	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-65.3	-45.6	177.4	-68.6	168.9	0	0	0	111	L173 K174 L177 T184 T191 F192 W215	L173-I188 HydrophobicContact CB-CG1 4.39Å; K174-I188 HydrophobicContact CG-CD1 4.06Å; L177-I188 HydrophobicContact CD1-CD1 4.49Å; L177-I188 HydrophobicContact CD1-CG1 4.2Å; T184-I188 HydrophobicContact CG2-CD1 3.9Å; T184-I188 WeakPolarHBondContact O-CG1 3.46Å; T184-I188 PolarHBondContact O-N 3.49Å; I188-T191 WeakPolarHBondContact O-CB 3.49Å; I188-T191 PolarHBondContact O-N 3.47Å; I188-F192 HydrophobicContact CG2-CD2 3.76Å; I188-F192 HydrophobicContact CG2-CE2 3.62Å; I188-F192 VanDerWaalsContact O-CD2 3.31Å; I188-F192 WeakPolarHBondContact O-CD2 3.18Å; I188-F192 PolarHBondContact O-N 3.45Å; I188-W215 HydrophobicContact CB-CH2 4.39Å; I188-W215 HydrophobicContact CB-CZ2 3.98Å; I188-W215 HydrophobicContact CG2-CD2 4.01Å; I188-W215 HydrophobicContact CG2-CE3 4.44Å; I188-W215 HydrophobicContact CG2-CH2 4.15Å; I188-W215 HydrophobicContact CG2-CZ2 3.67Å; I188-W215 HydrophobicContact CG2-CZ3 4.47Å
189	R	96.7	Very high	95.1	Very high	56 Å²	56	51.6 Å²	51.6	21%	0.211	30%	0.3	C	S	.	.	H	α-helix	trans	-59	-49.1	175.6	-175.2	175.4	-69.2	97.6	11.4	111.6	N185 N186 T191 F192 E193 W215 E216 N221	N185-R189 WeakPolarHBondContact O-CB 3.22Å; N185-R189 PolarHBondContact O-N 2.95Å; N186-R189 PolarHBondContact O-N 2.99Å; R189-T191 VanDerWaalsContact C-N 3.27Å; R189-T191 PolarHBondContact O-N 3.09Å; R189-F192 WeakPolarHBondContact O-CB 3.44Å; R189-F192 PolarHBondContact O-N 3.12Å; R189-F192 VanDerWaalsContact O-N 3.14Å; R189-E193 PolarHBondContact O-N 3.35Å; R189-W215 HydrophobicContact CB-CH2 3.76Å; R189-W215 HydrophobicContact CB-CZ3 3.75Å; R189-W215 HydrophobicContact CG-CZ3 4.24Å; R189-E216 IonicContact CZ-OE1 2.76Å; R189-E216 VanDerWaalsContact CZ-OE1 3.25Å; R189-E216 IonicContact CZ-OE2 3.72Å; R189-E216 IonicContact NE-OE1 3.59Å; R189-E216 PolarHBondContact NE-OE1 3.05Å; R189-E216 IonicContact NE-OE2 3.33Å; R189-E216 IonicContact NH2-OE1 3.56Å; R189-E216 PolarHBondContact NH2-OE1 3.24Å; R189-E216 IonicContact NH2-OE2 3.43Å; R189-E216 PolarHBondContact NH2-OE2 2.88Å; R189-N221 PolarHBondContact NH2-ND2 3.35Å
190	G	97.4	Very high	95.5	Very high	23 Å²	23	45.8 Å²	45.8	24%	0.237	26%	0.262	C	S	.	.	H	α-helix	trans	-54.8	-46.4	174.7	0	0	0	0	0	110.7	N186 T187 F192 E193 H194	N186-G190 PolarHBondContact O-N 3.16Å; T187-G190 PolarHBondContact O-N 3.41Å; G190-F192 VanDerWaalsContact C-N 3.35Å; G190-F192 PolarHBondContact O-N 3.19Å; G190-E193 PolarHBondContact O-N 2.97Å; G190-E193 VanDerWaalsContact O-N 3.16Å; G190-H194 PolarHBondContact O-N 3Å; G190-H194 PolarHBondContact O-ND1 3.41Å
191	T	98.3	Very high	95.9	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-40.4	178.4	-55	0	0	0	0	112.4	W166 Y169 I170 L173 T187 I188 R189 H194 A195	W166-T191 HydrophobicContact CE3-CG2 4.3Å; W166-T191 HydrophobicContact CZ3-CG2 4.09Å; Y169-T191 HydrophobicContact CD1-CG2 3.74Å; Y169-T191 HydrophobicContact CE1-CG2 3.82Å; I170-T191 HydrophobicContact CG1-CG2 3.7Å; L173-T191 HydrophobicContact CD1-CG2 3.97Å; L173-T191 WeakPolarHBondContact CD1-OG1 3.42Å; T187-T191 WeakPolarHBondContact O-CB 3.49Å; T187-T191 PolarHBondContact O-N 3.1Å; T187-T191 PolarHBondContact O-OG1 3.13Å; I188-T191 WeakPolarHBondContact O-CB 3.49Å; I188-T191 PolarHBondContact O-N 3.47Å; R189-T191 VanDerWaalsContact C-N 3.27Å; R189-T191 PolarHBondContact O-N 3.09Å; T191-H194 PolarHBondContact O-N 3.38Å; T191-A195 WeakPolarHBondContact O-CB 3.46Å; T191-A195 PolarHBondContact O-N 2.88Å
192	F	98.6	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-44.9	173.2	-85.2	-69.5	0	0	0	112.1	I170 I188 R189 G190 A195 V196 L208 M211 Y212 W215	I170-F192 HydrophobicContact CD1-CD1 3.68Å; I170-F192 HydrophobicContact CD1-CE1 3.76Å; I170-F192 HydrophobicContact CD1-CG 4.26Å; I170-F192 HydrophobicContact CD1-CZ 4.4Å; I170-F192 HydrophobicContact CG2-CE1 4.04Å; I170-F192 HydrophobicContact CG2-CE2 3.82Å; I170-F192 HydrophobicContact CG2-CZ 3.56Å; I188-F192 HydrophobicContact CG2-CD2 3.76Å; I188-F192 HydrophobicContact CG2-CE2 3.62Å; I188-F192 VanDerWaalsContact O-CD2 3.31Å; I188-F192 WeakPolarHBondContact O-CD2 3.18Å; I188-F192 PolarHBondContact O-N 3.45Å; R189-F192 WeakPolarHBondContact O-CB 3.44Å; R189-F192 PolarHBondContact O-N 3.12Å; R189-F192 VanDerWaalsContact O-N 3.14Å; G190-F192 VanDerWaalsContact C-N 3.35Å; G190-F192 PolarHBondContact O-N 3.19Å; F192-A195 WeakPolarHBondContact O-CB 3.47Å; F192-A195 PolarHBondContact O-N 3.44Å; F192-V196 WeakPolarHBondContact O-CG2 3.25Å; F192-V196 PolarHBondContact O-N 3.46Å; F192-L208 HydrophobicContact CD1-CD1 4.42Å; F192-M211 HydrophobicContact CE1-CB 4.25Å; F192-M211 HydrophobicContact CE1-CE 3.76Å; F192-M211 HydrophobicContact CE1-CG 4.23Å; F192-M211 HydrophobicContact CZ-CE 4.08Å; F192-M211 HydrophobicContact CZ-CG 4.16Å; F192-Y212 HydrophobicContact CB-CD1 3.79Å; F192-Y212 HydrophobicContact CB-CD2 3.51Å; F192-Y212 HydrophobicContact CB-CE1 3.73Å; F192-Y212 HydrophobicContact CB-CE2 3.46Å; F192-Y212 VanDerWaalsContact CB-CE2 3.46Å; F192-Y212 HydrophobicContact CB-CG 3.69Å; F192-Y212 VanDerWaalsContact CD1-CB 3.47Å; F192-Y212 HydrophobicContact CD1-CD1 4.24Å; F192-Y212 AromaticContact CD1-CD2 3.75Å; F192-Y212 HydrophobicContact CD1-CD2 3.75Å; F192-Y212 AromaticContact CD1-CG 3.57Å; F192-Y212 HydrophobicContact CD1-CG 3.57Å; F192-Y212 AromaticContact CD2-CD2 3.67Å; F192-Y212 HydrophobicContact CD2-CD2 3.67Å; F192-Y212 AromaticContact CD2-CE2 3.99Å; F192-Y212 HydrophobicContact CD2-CE2 3.99Å; F192-Y212 HydrophobicContact CD2-CG 4.35Å; F192-Y212 VanDerWaalsContact CE1-CA 3.45Å; F192-Y212 HydrophobicContact CE1-CD2 4.31Å; F192-Y212 HydrophobicContact CE1-CG 4.2Å; F192-Y212 HydrophobicContact CE2-CD2 4.24Å; F192-Y212 HydrophobicContact CG-CD1 4.24Å; F192-Y212 AromaticContact CG-CD2 3.39Å; F192-Y212 HydrophobicContact CG-CD2 3.39Å; F192-Y212 AromaticContact CG-CE2 3.8Å; F192-Y212 HydrophobicContact CG-CE2 3.8Å; F192-Y212 AromaticContact CG-CG 3.64Å; F192-Y212 HydrophobicContact CG-CG 3.64Å; F192-W215 HydrophobicContact CD2-CD2 4.24Å; F192-W215 AromaticContact CD2-CE3 3.9Å; F192-W215 HydrophobicContact CD2-CE3 3.9Å; F192-W215 HydrophobicContact CD2-CZ3 4.41Å; F192-W215 HydrophobicContact CE2-CB 3.9Å; F192-W215 AromaticContact CE2-CD2 3.78Å; F192-W215 HydrophobicContact CE2-CD2 3.78Å; F192-W215 AromaticContact CE2-CE3 3.89Å; F192-W215 HydrophobicContact CE2-CE3 3.89Å; F192-W215 AromaticContact CE2-CG 3.77Å; F192-W215 HydrophobicContact CE2-CG 3.77Å; F192-W215 HydrophobicContact CZ-CB 4.06Å; F192-W215 HydrophobicContact CZ-CG 4.37Å
193	E	98.2	Very high	96.6	Very high	54 Å²	54	38.1 Å²	38.1	25%	0.252	20%	0.203	S	C	.	.	H	α-helix	trans	-59.2	-47.6	176.2	-73.9	-55.9	146.9	0	0	112	R189 G190 A195 V196 L197 Y212 R231	R189-E193 PolarHBondContact O-N 3.35Å; G190-E193 PolarHBondContact O-N 2.97Å; G190-E193 VanDerWaalsContact O-N 3.16Å; E193-A195 VanDerWaalsContact C-N 3.3Å; E193-A195 PolarHBondContact O-N 2.87Å; E193-V196 VanDerWaalsContact O-CG2 3.28Å; E193-V196 WeakPolarHBondContact O-CG2 3.27Å; E193-V196 PolarHBondContact O-N 2.69Å; E193-L197 WeakPolarHBondContact O-CB 3.38Å; E193-L197 VanDerWaalsContact O-CG 3.25Å; E193-L197 WeakPolarHBondContact O-CG 3.15Å; E193-L197 PolarHBondContact O-N 2.7Å; E193-Y212 VanDerWaalsContact OE1-CE1 3.23Å; E193-Y212 WeakPolarHBondContact OE1-CE1 3.4Å; E193-Y212 VanDerWaalsContact OE1-CZ 3.31Å; E193-Y212 PolarHBondContact OE1-OH 3.04Å; E193-R231 VanDerWaalsContact CD-NH1 3.28Å; E193-R231 IonicContact OE1-NH1 3.75Å; E193-R231 PolarHBondContact OE1-NH1 3.3Å; E193-R231 IonicContact OE2-CZ 3.83Å; E193-R231 VanDerWaalsContact OE2-CZ 3.29Å; E193-R231 IonicContact OE2-NH1 3.98Å; E193-R231 PolarHBondContact OE2-NH1 2.95Å; E193-R231 IonicContact OE2-NH2 3.66Å; E193-R231 PolarHBondContact OE2-NH2 2.68Å
194	H	97.9	Very high	96.7	Very high	90 Å²	90	35.7 Å²	35.7	42%	0.417	19%	0.188	S	C	.	.	H	α-helix	trans	-59.7	-41.7	175.1	-68.5	95.6	0	0	0	111.7	W166 G190 T191 L197 A198	W166-H194 HydrophobicContact CH2-CB 3.91Å; W166-H194 HydrophobicContact CZ3-CB 4.28Å; G190-H194 PolarHBondContact O-N 3Å; G190-H194 PolarHBondContact O-ND1 3.41Å; T191-H194 PolarHBondContact O-N 3.38Å; H194-L197 PolarHBondContact O-N 2.74Å; H194-A198 VanDerWaalsContact O-CB 3.27Å; H194-A198 WeakPolarHBondContact O-CB 3.44Å; H194-A198 PolarHBondContact O-N 2.82Å
195	A	98.3	Very high	96.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-43.5	179.5	0	0	0	0	0	112.5	W166 I170 T191 F192 E193 A198 A199 L208	W166-A195 HydrophobicContact CB-CB 3.95Å; W166-A195 HydrophobicContact CD2-CB 3.49Å; W166-A195 VanDerWaalsContact CD2-CB 3.49Å; W166-A195 HydrophobicContact CE3-CB 3.54Å; W166-A195 HydrophobicContact CG-CB 3.69Å; W166-A195 HydrophobicContact CZ3-CB 4.21Å; I170-A195 HydrophobicContact CD1-CB 4.27Å; T191-A195 WeakPolarHBondContact O-CB 3.46Å; T191-A195 PolarHBondContact O-N 2.88Å; F192-A195 WeakPolarHBondContact O-CB 3.47Å; F192-A195 PolarHBondContact O-N 3.44Å; E193-A195 VanDerWaalsContact C-N 3.3Å; E193-A195 PolarHBondContact O-N 2.87Å; A195-A198 PolarHBondContact O-N 2.92Å; A195-A199 PolarHBondContact O-N 3.17Å; A195-L208 HydrophobicContact CB-CD1 3.91Å; A195-L208 HydrophobicContact CB-CD2 3.9Å; A195-L208 HydrophobicContact CB-CG 4.48Å
196	V	97.9	Very high	97.2	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.036	17%	0.171	C	C	.	.	H	α-helix	trans	-75.3	-30.1	-179.9	-61.9	0	0	0	0	112.6	F192 E193 G200 L208 W209 Y212 R231	F192-V196 WeakPolarHBondContact O-CG2 3.25Å; F192-V196 PolarHBondContact O-N 3.46Å; E193-V196 VanDerWaalsContact O-CG2 3.28Å; E193-V196 WeakPolarHBondContact O-CG2 3.27Å; E193-V196 PolarHBondContact O-N 2.69Å; V196-G200 WeakPolarHBondContact O-CA 3.46Å; V196-G200 PolarHBondContact O-N 2.81Å; V196-L208 HydrophobicContact CG1-CD2 4.08Å; V196-L208 HydrophobicContact CG1-CG 4.2Å; V196-W209 HydrophobicContact CB-CH2 3.57Å; V196-W209 HydrophobicContact CB-CZ2 3.68Å; V196-W209 HydrophobicContact CB-CZ3 4.03Å; V196-W209 HydrophobicContact CG1-CD2 3.99Å; V196-W209 HydrophobicContact CG1-CE3 3.88Å; V196-W209 HydrophobicContact CG1-CH2 3.8Å; V196-W209 HydrophobicContact CG1-CZ2 3.89Å; V196-W209 HydrophobicContact CG1-CZ3 3.78Å; V196-W209 HydrophobicContact CG2-CH2 3.97Å; V196-W209 HydrophobicContact CG2-CZ3 4.3Å; V196-Y212 HydrophobicContact CG1-CD1 4.21Å; V196-R231 VanDerWaalsContact CG2-NH2 3.25Å
197	L	96.8	Very high	97.4	Very high	85 Å²	85	34.5 Å²	34.5	45%	0.445	17%	0.171	S	C	.	.	H	α-helix	trans	-66.7	-40.3	170.8	-71.3	171.4	0	0	0	111.5	E193 H194	E193-L197 WeakPolarHBondContact O-CB 3.38Å; E193-L197 VanDerWaalsContact O-CG 3.25Å; E193-L197 WeakPolarHBondContact O-CG 3.15Å; E193-L197 PolarHBondContact O-N 2.7Å; H194-L197 PolarHBondContact O-N 2.74Å
198	A	95.3	Very high	97.5	Very high	13 Å²	13	31.4 Å²	31.4	11%	0.107	15%	0.152	C	C	.	.	H	α-helix	trans	-78.6	-41.7	-178.4	0	0	0	0	0	114	V38 P160 W166 H194 A195	V38-A198 HydrophobicContact CG1-CB 4.27Å; P160-A198 HydrophobicContact CB-CB 4.24Å; W166-A198 HydrophobicContact CZ2-CB 3.99Å; H194-A198 VanDerWaalsContact O-CB 3.27Å; H194-A198 WeakPolarHBondContact O-CB 3.44Å; H194-A198 PolarHBondContact O-N 2.82Å; A195-A198 PolarHBondContact O-N 2.92Å
199	A	97.1	Very high	97.6	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-133.4	-0.2	-168.5	0	0	0	0	0	114.4	V163 A195 T201 D202 S205	V163-A199 HydrophobicContact CG2-CB 4.08Å; A195-A199 PolarHBondContact O-N 3.17Å; A199-T201 PolarHBondContact O-N 2.91Å; A199-D202 WeakPolarHBondContact O-CB 3.44Å; A199-D202 PolarHBondContact O-N 3.4Å; A199-D202 VanDerWaalsContact O-N 3.13Å; A199-S205 WeakPolarHBondContact O-CB 3.31Å
200	G	97.2	Very high	97.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-16.3	-176.5	0	0	0	0	0	114.2	V196 S205 W209	V196-G200 WeakPolarHBondContact O-CA 3.46Å; V196-G200 PolarHBondContact O-N 2.81Å; G200-S205 PolarHBondContact O-OG 3.13Å; G200-W209 PolarHBondContact O-NE1 3.15Å
201	T	96.4	Very high	97.7	Very high	58 Å²	58	30.7 Å²	30.7	36%	0.356	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-2.6	174.1	53.4	0	0	0	0	113.5	A199 F203 V374	A199-T201 PolarHBondContact O-N 2.91Å; T201-F203 PolarHBondContact O-N 3.37Å; T201-V374 WeakPolarHBondContact OG1-CG1 3.22Å
202	D	96.7	Very high	97.8	Very high	19 Å²	19	30.3 Å²	30.3	10%	0.102	14%	0.142	C	C	.	.	S	Bend	trans	-64.9	134.4	170.7	-168.6	-62.9	0	0	0	109.3	V163 A199 R204 S205 R378	V163-D202 HydrophobicContact CG2-CB 4.22Å; A199-D202 WeakPolarHBondContact O-CB 3.44Å; A199-D202 PolarHBondContact O-N 3.4Å; A199-D202 VanDerWaalsContact O-N 3.13Å; D202-R204 PolarHBondContact O-N 3.23Å; D202-R204 PolarHBondContact OD1-N 2.89Å; D202-S205 WeakPolarHBondContact O-CB 3.46Å; D202-S205 PolarHBondContact O-N 3.1Å; D202-S205 PolarHBondContact O-OG 3.21Å; D202-R378 IonicContact OD1-CZ 3.29Å; D202-R378 IonicContact OD1-NE 2.74Å; D202-R378 IonicContact OD1-NH2 2.82Å; D202-R378 PolarHBondContact OD1-NH2 2.98Å; D202-R378 WeakPolarHBondContact OD2-CD 3.28Å; D202-R378 IonicContact OD2-CZ 3.18Å; D202-R378 IonicContact OD2-NE 3.46Å; D202-R378 PolarHBondContact OD2-NE 3.32Å; D202-R378 IonicContact OD2-NH2 2.86Å
203	F	97.4	Very high	97.8	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.031	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22	179.2	-169.8	-102.3	0	0	0	113.6	T201 P236 T237 Q238 V328 W332 E335	T201-F203 PolarHBondContact O-N 3.37Å; F203-P236 HydrophobicContact CD2-CB 4.48Å; F203-P236 WeakPolarHBondContact CD2-O 3.44Å; F203-T237 WeakPolarHBondContact CE2-O 3.44Å; F203-T237 CarbonylContact O-C 3.46Å; F203-T237 WeakPolarHBondContact O-CA 3.36Å; F203-Q238 HydrophobicContact CD1-CB 4.05Å; F203-Q238 HydrophobicContact CE1-CB 3.72Å; F203-Q238 HydrophobicContact CE1-CG 4.21Å; F203-Q238 HydrophobicContact CZ-CB 4.38Å; F203-Q238 PolarHBondContact O-N 3.32Å; F203-V328 HydrophobicContact CE2-CG1 3.98Å; F203-V328 HydrophobicContact CE2-CG2 4.34Å; F203-V328 HydrophobicContact CZ-CG1 4.02Å; F203-W332 HydrophobicContact CE1-CE3 4.48Å; F203-W332 HydrophobicContact CE1-CZ3 4.46Å; F203-W332 AromaticContact CZ-CE3 3.94Å; F203-W332 HydrophobicContact CZ-CE3 3.94Å; F203-W332 HydrophobicContact CZ-CZ3 4.14Å; F203-E335 HydrophobicContact CB-CG 4.01Å; F203-E335 WeakPolarHBondContact CB-OE1 3.01Å; F203-E335 HydrophobicContact CD1-CB 3.57Å; F203-E335 HydrophobicContact CD1-CG 3.61Å; F203-E335 HydrophobicContact CD2-CG 3.96Å; F203-E335 HydrophobicContact CE1-CB 3.67Å; F203-E335 HydrophobicContact CE1-CG 4.01Å; F203-E335 HydrophobicContact CE2-CG 4.34Å; F203-E335 HydrophobicContact CG-CB 4.1Å; F203-E335 HydrophobicContact CG-CG 3.57Å; F203-E335 HydrophobicContact CZ-CB 4.29Å; F203-E335 HydrophobicContact CZ-CG 4.36Å
204	R	97.3	Very high	97.8	Very high	82 Å²	82	30.7 Å²	30.7	31%	0.309	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	24.1	178.2	-57.1	-174.4	-175.9	178.2	5.2	112.6	D202 D206 E335 I338	D202-R204 PolarHBondContact O-N 3.23Å; D202-R204 PolarHBondContact OD1-N 2.89Å; R204-D206 PolarHBondContact O-N 3.19Å; R204-E335 PolarHBondContact NH2-O 3.26Å; R204-E335 VanDerWaalsContact NH2-O 3.11Å; R204-I338 PolarHBondContact NH2-O 3.03Å
205	S	98.1	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.			trans	-79.8	2.4	177.4	64.3	0	0	0	0	114.2	A199 G200 D202 R207 L208 W209	A199-S205 WeakPolarHBondContact O-CB 3.31Å; G200-S205 PolarHBondContact O-OG 3.13Å; D202-S205 WeakPolarHBondContact O-CB 3.46Å; D202-S205 PolarHBondContact O-N 3.1Å; D202-S205 PolarHBondContact O-OG 3.21Å; S205-R207 VanDerWaalsContact C-N 3.25Å; S205-R207 PolarHBondContact O-N 3.26Å; S205-R207 VanDerWaalsContact O-N 3.08Å; S205-L208 WeakPolarHBondContact O-CB 3.43Å; S205-L208 PolarHBondContact O-N 3.14Å; S205-W209 PolarHBondContact O-N 2.93Å; S205-W209 PolarHBondContact OG-NE1 3.27Å
206	D	98.5	Very high	97.7	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.043	13%	0.127	C	C	.	.	H	α-helix	trans	-47.9	-44.9	-172.9	-57.9	-86.4	0	0	0	113.5	R204 L208 W209 E210 T237 L239 H243	R204-D206 PolarHBondContact O-N 3.19Å; D206-L208 VanDerWaalsContact C-N 3.3Å; D206-L208 PolarHBondContact O-N 3.07Å; D206-W209 PolarHBondContact O-N 3.03Å; D206-E210 WeakPolarHBondContact O-CG 3.47Å; D206-E210 PolarHBondContact O-N 2.68Å; D206-T237 WeakPolarHBondContact OD1-CB 3.28Å; D206-T237 PolarHBondContact OD1-OG1 3.39Å; D206-L239 HydrophobicContact CB-CB 4.29Å; D206-L239 HydrophobicContact CB-CD1 4.21Å; D206-L239 HydrophobicContact CB-CG 4.38Å; D206-L239 WeakPolarHBondContact OD1-CA 3.4Å; D206-L239 WeakPolarHBondContact OD1-CB 3.4Å; D206-L239 PolarHBondContact OD1-N 2.83Å; D206-H243 IonicContact OD1-CD2 2.77Å; D206-H243 IonicContact OD1-CE1 3.46Å; D206-H243 IonicContact OD1-NE2 3.53Å; D206-H243 PolarHBondContact OD1-NE2 3.01Å
207	R	98.4	Very high	97.6	Very high	141 Å²	141	30.3 Å²	30.3	53%	0.532	15%	0.146	S	C	.	.	H	α-helix	trans	-64.6	-32.4	-178.1	-172.4	180	170.4	-160.5	-1.2	112.9	I167 S205 M211	I167-R207 HydrophobicContact CD1-CB 3.99Å; I167-R207 HydrophobicContact CD1-CG 3.77Å; S205-R207 VanDerWaalsContact C-N 3.25Å; S205-R207 PolarHBondContact O-N 3.26Å; S205-R207 VanDerWaalsContact O-N 3.08Å; R207-M211 VanDerWaalsContact O-CB 3.27Å; R207-M211 WeakPolarHBondContact O-CB 3.29Å; R207-M211 PolarHBondContact O-N 3.06Å; R207-M211 VanDerWaalsContact O-N 3.08Å
208	L	98.6	Very high	97.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.7	-47.8	176.8	174.6	64	0	0	0	110.2	V163 I167 I170 F192 A195 V196 S205 D206 M211 Y212	V163-L208 HydrophobicContact CG1-CB 4.02Å; I167-L208 HydrophobicContact CG1-CB 4.5Å; I167-L208 HydrophobicContact CG1-CD1 4.36Å; I170-L208 HydrophobicContact CD1-CD1 3.86Å; F192-L208 HydrophobicContact CD1-CD1 4.42Å; A195-L208 HydrophobicContact CB-CD1 3.91Å; A195-L208 HydrophobicContact CB-CD2 3.9Å; A195-L208 HydrophobicContact CB-CG 4.48Å; V196-L208 HydrophobicContact CG1-CD2 4.08Å; V196-L208 HydrophobicContact CG1-CG 4.2Å; S205-L208 WeakPolarHBondContact O-CB 3.43Å; S205-L208 PolarHBondContact O-N 3.14Å; D206-L208 VanDerWaalsContact C-N 3.3Å; D206-L208 PolarHBondContact O-N 3.07Å; L208-M211 PolarHBondContact O-N 3.28Å; L208-Y212 PolarHBondContact O-N 3.45Å
209	W	98.7	Very high	97.5	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.011	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-45.7	177.7	-71	106.5	0	0	0	112.3	V196 G200 S205 D206 M211 Y212 I213 I228 R231 I232 I235	V196-W209 HydrophobicContact CB-CH2 3.57Å; V196-W209 HydrophobicContact CB-CZ2 3.68Å; V196-W209 HydrophobicContact CB-CZ3 4.03Å; V196-W209 HydrophobicContact CG1-CD2 3.99Å; V196-W209 HydrophobicContact CG1-CE3 3.88Å; V196-W209 HydrophobicContact CG1-CH2 3.8Å; V196-W209 HydrophobicContact CG1-CZ2 3.89Å; V196-W209 HydrophobicContact CG1-CZ3 3.78Å; V196-W209 HydrophobicContact CG2-CH2 3.97Å; V196-W209 HydrophobicContact CG2-CZ3 4.3Å; G200-W209 PolarHBondContact O-NE1 3.15Å; S205-W209 PolarHBondContact O-N 2.93Å; S205-W209 PolarHBondContact OG-NE1 3.27Å; D206-W209 PolarHBondContact O-N 3.03Å; W209-M211 VanDerWaalsContact C-N 3.28Å; W209-M211 PolarHBondContact O-N 3.14Å; W209-Y212 PolarHBondContact O-N 3.05Å; W209-Y212 VanDerWaalsContact O-N 3.14Å; W209-I213 WeakPolarHBondContact O-CG1 3.4Å; W209-I213 PolarHBondContact O-N 3.22Å; W209-I228 HydrophobicContact CE3-CG2 3.74Å; W209-I228 HydrophobicContact CZ3-CG2 3.93Å; W209-R231 HydrophobicContact CH2-CB 4.26Å; W209-R231 HydrophobicContact CZ3-CB 4.41Å; W209-I232 HydrophobicContact CB-CD1 4.31Å; W209-I232 HydrophobicContact CB-CG1 4.07Å; W209-I232 HydrophobicContact CD2-CB 3.99Å; W209-I232 HydrophobicContact CD2-CD1 3.77Å; W209-I232 HydrophobicContact CD2-CG1 3.97Å; W209-I232 HydrophobicContact CE3-CB 4.04Å; W209-I232 HydrophobicContact CG-CB 4.29Å; W209-I232 HydrophobicContact CG-CD1 3.56Å; W209-I232 HydrophobicContact CG-CG1 3.77Å; W209-I232 HydrophobicContact CZ2-CD1 4.4Å; W209-I232 HydrophobicContact CZ3-CB 4.48Å; W209-I235 HydrophobicContact CH2-CD1 4.32Å; W209-I235 HydrophobicContact CZ2-CD1 3.69Å
210	E	98.5	Very high	97.3	Very high	41 Å²	41	38.1 Å²	38.1	19%	0.192	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-40.5	175.2	-74.2	177	-164	0	0	112.2	D206 Y212 N214 H242 H243	D206-E210 WeakPolarHBondContact O-CG 3.47Å; D206-E210 PolarHBondContact O-N 2.68Å; E210-Y212 VanDerWaalsContact C-N 3.29Å; E210-Y212 PolarHBondContact O-N 3Å; E210-N214 WeakPolarHBondContact O-CB 3.47Å; E210-N214 PolarHBondContact O-N 2.78Å; E210-N214 PolarHBondContact O-ND2 3.22Å; E210-N214 VanDerWaalsContact O-ND2 3.15Å; E210-H242 IonicContact OE1-CD2 2.71Å; E210-H242 PolarHBondContact OE1-CD2 3.45Å; E210-H242 IonicContact OE1-NE2 3.55Å; E210-H243 IonicContact OE1-CE1 2.69Å
211	M	98.6	Very high	97.1	Very high	25 Å²	25	41.2 Å²	41.2	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-66.8	-33.6	178.6	-164.4	173.4	70.6	0	0	111.8	I167 I170 F192 R207 L208 W209 W215	I167-M211 HydrophobicContact CB-CE 4.23Å; I167-M211 HydrophobicContact CG1-CE 3.99Å; I167-M211 HydrophobicContact CG2-CE 4.17Å; I167-M211 HydrophobicContact CG2-SD 4.06Å; I170-M211 HydrophobicContact CB-CE 3.78Å; I170-M211 HydrophobicContact CD1-CE 3.77Å; I170-M211 HydrophobicContact CG1-CE 4.39Å; I170-M211 HydrophobicContact CG2-CE 3.63Å; F192-M211 HydrophobicContact CE1-CB 4.25Å; F192-M211 HydrophobicContact CE1-CE 3.76Å; F192-M211 HydrophobicContact CE1-CG 4.23Å; F192-M211 HydrophobicContact CZ-CE 4.08Å; F192-M211 HydrophobicContact CZ-CG 4.16Å; R207-M211 VanDerWaalsContact O-CB 3.27Å; R207-M211 WeakPolarHBondContact O-CB 3.29Å; R207-M211 PolarHBondContact O-N 3.06Å; R207-M211 VanDerWaalsContact O-N 3.08Å; L208-M211 PolarHBondContact O-N 3.28Å; W209-M211 VanDerWaalsContact C-N 3.28Å; W209-M211 PolarHBondContact O-N 3.14Å; M211-W215 WeakPolarHBondContact O-CB 3.34Å; M211-W215 PolarHBondContact O-N 3.34Å
212	Y	98.6	Very high	97.1	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-71.8	-49	175.6	-165.5	-172.1	0	0	0	111.6	F192 E193 V196 L208 W209 E210 N214 W215 E216 I228	F192-Y212 HydrophobicContact CB-CD1 3.79Å; F192-Y212 HydrophobicContact CB-CD2 3.51Å; F192-Y212 HydrophobicContact CB-CE1 3.73Å; F192-Y212 HydrophobicContact CB-CE2 3.46Å; F192-Y212 VanDerWaalsContact CB-CE2 3.46Å; F192-Y212 HydrophobicContact CB-CG 3.69Å; F192-Y212 VanDerWaalsContact CD1-CB 3.47Å; F192-Y212 HydrophobicContact CD1-CD1 4.24Å; F192-Y212 AromaticContact CD1-CD2 3.75Å; F192-Y212 HydrophobicContact CD1-CD2 3.75Å; F192-Y212 AromaticContact CD1-CG 3.57Å; F192-Y212 HydrophobicContact CD1-CG 3.57Å; F192-Y212 AromaticContact CD2-CD2 3.67Å; F192-Y212 HydrophobicContact CD2-CD2 3.67Å; F192-Y212 AromaticContact CD2-CE2 3.99Å; F192-Y212 HydrophobicContact CD2-CE2 3.99Å; F192-Y212 HydrophobicContact CD2-CG 4.35Å; F192-Y212 VanDerWaalsContact CE1-CA 3.45Å; F192-Y212 HydrophobicContact CE1-CD2 4.31Å; F192-Y212 HydrophobicContact CE1-CG 4.2Å; F192-Y212 HydrophobicContact CE2-CD2 4.24Å; F192-Y212 HydrophobicContact CG-CD1 4.24Å; F192-Y212 AromaticContact CG-CD2 3.39Å; F192-Y212 HydrophobicContact CG-CD2 3.39Å; F192-Y212 AromaticContact CG-CE2 3.8Å; F192-Y212 HydrophobicContact CG-CE2 3.8Å; F192-Y212 AromaticContact CG-CG 3.64Å; F192-Y212 HydrophobicContact CG-CG 3.64Å; E193-Y212 VanDerWaalsContact OE1-CE1 3.23Å; E193-Y212 WeakPolarHBondContact OE1-CE1 3.4Å; E193-Y212 VanDerWaalsContact OE1-CZ 3.31Å; E193-Y212 PolarHBondContact OE1-OH 3.04Å; V196-Y212 HydrophobicContact CG1-CD1 4.21Å; L208-Y212 PolarHBondContact O-N 3.45Å; W209-Y212 PolarHBondContact O-N 3.05Å; W209-Y212 VanDerWaalsContact O-N 3.14Å; E210-Y212 VanDerWaalsContact C-N 3.29Å; E210-Y212 PolarHBondContact O-N 3Å; Y212-N214 VanDerWaalsContact C-N 3.33Å; Y212-N214 PolarHBondContact O-N 3.36Å; Y212-W215 HydrophobicContact CD2-CE3 4.13Å; Y212-W215 HydrophobicContact CE2-CE3 4.04Å; Y212-W215 HydrophobicContact CE2-CZ3 4.22Å; Y212-W215 PolarHBondContact O-N 2.77Å; Y212-W215 VanDerWaalsContact O-N 3.11Å; Y212-E216 HydrophobicContact CD2-CG 4.12Å; Y212-E216 HydrophobicContact CE2-CG 3.8Å; Y212-E216 PolarHBondContact O-N 2.92Å; Y212-I228 HydrophobicContact CD1-CD1 3.85Å; Y212-I228 HydrophobicContact CD1-CG1 4.16Å; Y212-I228 HydrophobicContact CD2-CD1 3.87Å; Y212-I228 HydrophobicContact CE1-CD1 3.86Å; Y212-I228 HydrophobicContact CE1-CG1 4.04Å; Y212-I228 HydrophobicContact CE2-CD1 3.88Å; Y212-I228 HydrophobicContact CG-CD1 3.85Å
213	I	98.6	Very high	97	Very high	6 Å²	6	44 Å²	44	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-55	-49	176.2	-72.5	161.3	0	0	0	111	W209 W215 N217 V225 I228 Y229	W209-I213 WeakPolarHBondContact O-CG1 3.4Å; W209-I213 PolarHBondContact O-N 3.22Å; I213-W215 VanDerWaalsContact C-N 3.29Å; I213-W215 PolarHBondContact O-N 3.31Å; I213-N217 VanDerWaalsContact O-CB 3.27Å; I213-N217 WeakPolarHBondContact O-CB 3.49Å; I213-N217 PolarHBondContact O-N 3.11Å; I213-V225 HydrophobicContact CG2-CG1 4.16Å; I213-I228 HydrophobicContact CD1-CG2 4.11Å; I213-I228 HydrophobicContact CG1-CB 4.27Å; I213-I228 HydrophobicContact CG1-CG2 3.5Å; I213-Y229 HydrophobicContact CD1-CD1 4.16Å; I213-Y229 HydrophobicContact CD1-CE1 3.77Å; I213-Y229 HydrophobicContact CD1-CE2 4.41Å; I213-Y229 HydrophobicContact CG2-CE2 3.97Å
214	N	98.3	Very high	96.9	Very high	55 Å²	55	48.3 Å²	48.3	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-39.7	-179.8	-68.7	-22.7	0	0	0	111.3	E210 Y212 N217 E218 R246	E210-N214 WeakPolarHBondContact O-CB 3.47Å; E210-N214 PolarHBondContact O-N 2.78Å; E210-N214 PolarHBondContact O-ND2 3.22Å; E210-N214 VanDerWaalsContact O-ND2 3.15Å; Y212-N214 VanDerWaalsContact C-N 3.33Å; Y212-N214 PolarHBondContact O-N 3.36Å; N214-N217 PolarHBondContact O-N 2.98Å; N214-E218 WeakPolarHBondContact O-CG 3.28Å; N214-E218 PolarHBondContact O-N 2.98Å; N214-R246 PolarHBondContact OD1-NH2 3.02Å
215	W	97.6	Very high	96.9	Very high	9 Å²	9	44.5 Å²	44.5	3%	0.034	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-46.9	-179.4	-179.9	71.1	0	0	0	112.4	N185 I188 R189 F192 M211 Y212 I213 N217 E218 Q219	N185-W215 HydrophobicContact CB-CZ2 4.35Å; N185-W215 WeakPolarHBondContact O-CH2 3.36Å; I188-W215 HydrophobicContact CB-CH2 4.39Å; I188-W215 HydrophobicContact CB-CZ2 3.98Å; I188-W215 HydrophobicContact CG2-CD2 4.01Å; I188-W215 HydrophobicContact CG2-CE3 4.44Å; I188-W215 HydrophobicContact CG2-CH2 4.15Å; I188-W215 HydrophobicContact CG2-CZ2 3.67Å; I188-W215 HydrophobicContact CG2-CZ3 4.47Å; R189-W215 HydrophobicContact CB-CH2 3.76Å; R189-W215 HydrophobicContact CB-CZ3 3.75Å; R189-W215 HydrophobicContact CG-CZ3 4.24Å; F192-W215 HydrophobicContact CD2-CD2 4.24Å; F192-W215 AromaticContact CD2-CE3 3.9Å; F192-W215 HydrophobicContact CD2-CE3 3.9Å; F192-W215 HydrophobicContact CD2-CZ3 4.41Å; F192-W215 HydrophobicContact CE2-CB 3.9Å; F192-W215 AromaticContact CE2-CD2 3.78Å; F192-W215 HydrophobicContact CE2-CD2 3.78Å; F192-W215 AromaticContact CE2-CE3 3.89Å; F192-W215 HydrophobicContact CE2-CE3 3.89Å; F192-W215 AromaticContact CE2-CG 3.77Å; F192-W215 HydrophobicContact CE2-CG 3.77Å; F192-W215 HydrophobicContact CZ-CB 4.06Å; F192-W215 HydrophobicContact CZ-CG 4.37Å; M211-W215 WeakPolarHBondContact O-CB 3.34Å; M211-W215 PolarHBondContact O-N 3.34Å; Y212-W215 HydrophobicContact CD2-CE3 4.13Å; Y212-W215 HydrophobicContact CE2-CE3 4.04Å; Y212-W215 HydrophobicContact CE2-CZ3 4.22Å; Y212-W215 PolarHBondContact O-N 2.77Å; Y212-W215 VanDerWaalsContact O-N 3.11Å; I213-W215 VanDerWaalsContact C-N 3.29Å; I213-W215 PolarHBondContact O-N 3.31Å; W215-N217 VanDerWaalsContact C-N 3.29Å; W215-N217 PolarHBondContact O-N 2.98Å; W215-E218 WeakPolarHBondContact O-CB 3.42Å; W215-E218 PolarHBondContact O-N 2.79Å; W215-Q219 HydrophobicContact CD2-CG 4.39Å; W215-Q219 HydrophobicContact CH2-CG 4.28Å; W215-Q219 HydrophobicContact CZ2-CG 3.95Å; W215-Q219 WeakPolarHBondContact O-CG 3.49Å; W215-Q219 PolarHBondContact O-N 3.23Å
216	E	97.3	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-34.2	176	-76.7	-63.8	172.8	0	0	112.5	R189 Y212 E218 Q219 G220 N221 E224 V225 I228	R189-E216 IonicContact CZ-OE1 2.76Å; R189-E216 VanDerWaalsContact CZ-OE1 3.25Å; R189-E216 IonicContact CZ-OE2 3.72Å; R189-E216 IonicContact NE-OE1 3.59Å; R189-E216 PolarHBondContact NE-OE1 3.05Å; R189-E216 IonicContact NE-OE2 3.33Å; R189-E216 IonicContact NH2-OE1 3.56Å; R189-E216 PolarHBondContact NH2-OE1 3.24Å; R189-E216 IonicContact NH2-OE2 3.43Å; R189-E216 PolarHBondContact NH2-OE2 2.88Å; Y212-E216 HydrophobicContact CD2-CG 4.12Å; Y212-E216 HydrophobicContact CE2-CG 3.8Å; Y212-E216 PolarHBondContact O-N 2.92Å; E216-E218 VanDerWaalsContact C-N 3.35Å; E216-Q219 PolarHBondContact O-N 3.37Å; E216-G220 PolarHBondContact O-N 3.14Å; E216-G220 VanDerWaalsContact O-N 3.15Å; E216-N221 PolarHBondContact O-N 3.32Å; E216-N221 VanDerWaalsContact O-N 3.16Å; E216-N221 WeakPolarHBondContact OE2-CB 3.17Å; E216-N221 PolarHBondContact OE2-ND2 2.83Å; E216-E224 HydrophobicContact CG-CB 4.22Å; E216-V225 HydrophobicContact CB-CG2 3.68Å; E216-I228 HydrophobicContact CB-CD1 4.29Å; E216-I228 HydrophobicContact CG-CD1 3.8Å
217	N	96.2	Very high	96.7	Very high	79 Å²	79	46.5 Å²	46.5	42%	0.422	23%	0.234	S	C	.	.	H	α-helix	trans	-64.4	-39.7	174	-171	41.9	0	0	0	111.7	I213 N214 W215 Q219 G220 L222 V225	I213-N217 VanDerWaalsContact O-CB 3.27Å; I213-N217 WeakPolarHBondContact O-CB 3.49Å; I213-N217 PolarHBondContact O-N 3.11Å; N214-N217 PolarHBondContact O-N 2.98Å; W215-N217 VanDerWaalsContact C-N 3.29Å; W215-N217 PolarHBondContact O-N 2.98Å; N217-Q219 VanDerWaalsContact C-N 3.29Å; N217-Q219 PolarHBondContact O-N 2.86Å; N217-G220 PolarHBondContact O-N 2.66Å; N217-L222 WeakPolarHBondContact OD1-CD2 3.26Å; N217-V225 HydrophobicContact CB-CG2 3.97Å
218	E	95.3	Very high	96.7	Very high	145 Å²	145	40 Å²	40	68%	0.678	21%	0.21	S	C	*	.	H	α-helix	trans	-64.9	-31.2	172.6	-74.3	169.4	-177.1	0	0	112.6	N214 W215 E216 G220	N214-E218 WeakPolarHBondContact O-CG 3.28Å; N214-E218 PolarHBondContact O-N 2.98Å; W215-E218 WeakPolarHBondContact O-CB 3.42Å; W215-E218 PolarHBondContact O-N 2.79Å; E216-E218 VanDerWaalsContact C-N 3.35Å; E218-G220 PolarHBondContact O-N 3.45Å
219	Q	93.5	Very high	96.7	Very high	68 Å²	68	40.3 Å²	40.3	32%	0.318	21%	0.211	S	C	.	.	H	α-helix	trans	-73.8	-12.3	172.1	-59.3	-46.5	-65.7	0	0	113.1	N185 W215 E216 N217 N221	N185-Q219 PolarHBondContact ND2-OE1 3.28Å; W215-Q219 HydrophobicContact CD2-CG 4.39Å; W215-Q219 HydrophobicContact CH2-CG 4.28Å; W215-Q219 HydrophobicContact CZ2-CG 3.95Å; W215-Q219 WeakPolarHBondContact O-CG 3.49Å; W215-Q219 PolarHBondContact O-N 3.23Å; E216-Q219 PolarHBondContact O-N 3.37Å; N217-Q219 VanDerWaalsContact C-N 3.29Å; N217-Q219 PolarHBondContact O-N 2.86Å; Q219-N221 VanDerWaalsContact C-N 3.29Å
220	G	93.3	Very high	96.6	Very high	50 Å²	50	43.3 Å²	43.3	52%	0.515	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	9.2	-176.9	0	0	0	0	0	114.3	E216 N217 E218 L222	E216-G220 PolarHBondContact O-N 3.14Å; E216-G220 VanDerWaalsContact O-N 3.15Å; N217-G220 PolarHBondContact O-N 2.66Å; E218-G220 PolarHBondContact O-N 3.45Å; G220-L222 VanDerWaalsContact C-N 3.28Å; G220-L222 PolarHBondContact O-N 3.07Å
221	N	94	Very high	96.5	Very high	65 Å²	65	45.3 Å²	45.3	35%	0.348	23%	0.233	S	C	.	.			trans	-84.7	68	-178.4	-63.3	-30.3	0	0	0	110.9	R189 E216 Q219 R223 E224 V225	R189-N221 PolarHBondContact NH2-ND2 3.35Å; E216-N221 PolarHBondContact O-N 3.32Å; E216-N221 VanDerWaalsContact O-N 3.16Å; E216-N221 WeakPolarHBondContact OE2-CB 3.17Å; E216-N221 PolarHBondContact OE2-ND2 2.83Å; Q219-N221 VanDerWaalsContact C-N 3.29Å; N221-R223 PolarHBondContact O-N 2.69Å; N221-R223 VanDerWaalsContact O-N 3.11Å; N221-E224 HydrophobicContact CB-CB 4.14Å; N221-E224 HydrophobicContact CB-CG 3.92Å; N221-E224 PolarHBondContact O-N 2.66Å; N221-V225 PolarHBondContact O-N 3.1Å; N221-V225 VanDerWaalsContact O-N 3.12Å
222	L	95.2	Very high	96.5	Very high	27 Å²	27	44.2 Å²	44.2	14%	0.141	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-25.5	-172.8	-57.6	-179.1	0	0	0	114.1	N217 G220 V225 T226 N254 D258 L259	N217-L222 WeakPolarHBondContact OD1-CD2 3.26Å; G220-L222 VanDerWaalsContact C-N 3.28Å; G220-L222 PolarHBondContact O-N 3.07Å; L222-V225 WeakPolarHBondContact O-CB 3.4Å; L222-V225 PolarHBondContact O-N 3.36Å; L222-T226 PolarHBondContact O-N 3.03Å; L222-T226 PolarHBondContact O-OG1 3.35Å; L222-N254 HydrophobicContact CD1-CB 4.19Å; L222-N254 WeakPolarHBondContact CD1-OD1 3.46Å; L222-D258 HydrophobicContact CD1-CB 4.06Å; L222-L259 HydrophobicContact CB-CD2 4.14Å
223	R	94.7	Very high	96.5	Very high	110 Å²	110	44.1 Å²	44.1	42%	0.415	23%	0.228	S	C	.	.	H	α-helix	trans	-69.4	-36.1	173.5	-63.1	-173.9	178.2	-173.5	-4.8	113.3	N221 V225 T226 A227 R257 D258 L260	N221-R223 PolarHBondContact O-N 2.69Å; N221-R223 VanDerWaalsContact O-N 3.11Å; R223-V225 VanDerWaalsContact C-N 3.34Å; R223-T226 WeakPolarHBondContact CA-OG1 3.29Å; R223-T226 PolarHBondContact O-OG1 2.95Å; R223-A227 WeakPolarHBondContact O-CB 3.38Å; R223-A227 PolarHBondContact O-N 3.36Å; R223-R257 PolarHBondContact NH2-O 3.19Å; R223-D258 WeakPolarHBondContact CG-O 3.28Å; R223-D258 PolarHBondContact N-O 3.41Å; R223-L260 VanDerWaalsContact CZ-O 3.24Å; R223-L260 PolarHBondContact NE-O 3.39Å; R223-L260 VanDerWaalsContact NE-O 3.14Å; R223-L260 PolarHBondContact NH2-O 3.3Å
224	E	95.6	Very high	96.4	Very high	97 Å²	97	45.9 Å²	45.9	45%	0.453	25%	0.248	S	C	.	.	H	α-helix	trans	-74	-35.8	176.4	-54	-51.2	141.8	0	0	109.4	E216 N221 T226 A227 I228	E216-E224 HydrophobicContact CG-CB 4.22Å; N221-E224 HydrophobicContact CB-CB 4.14Å; N221-E224 HydrophobicContact CB-CG 3.92Å; N221-E224 PolarHBondContact O-N 2.66Å; E224-T226 VanDerWaalsContact C-N 3.35Å; E224-T226 PolarHBondContact O-N 3.49Å; E224-A227 PolarHBondContact O-N 2.96Å; E224-I228 WeakPolarHBondContact O-CD1 3.4Å; E224-I228 WeakPolarHBondContact O-CG1 3.34Å; E224-I228 PolarHBondContact O-N 3.45Å
225	V	97.9	Very high	96.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-46.1	171.7	175.8	0	0	0	0	111.5	I213 E216 N217 N221 L222 R223 I228 Y229 H250	I213-V225 HydrophobicContact CG2-CG1 4.16Å; E216-V225 HydrophobicContact CB-CG2 3.68Å; N217-V225 HydrophobicContact CB-CG2 3.97Å; N221-V225 PolarHBondContact O-N 3.1Å; N221-V225 VanDerWaalsContact O-N 3.12Å; L222-V225 WeakPolarHBondContact O-CB 3.4Å; L222-V225 PolarHBondContact O-N 3.36Å; R223-V225 VanDerWaalsContact C-N 3.34Å; V225-I228 PolarHBondContact O-N 3.41Å; V225-Y229 HydrophobicContact CG1-CD2 3.89Å; V225-Y229 HydrophobicContact CG1-CE2 3.68Å; V225-Y229 VanDerWaalsContact O-CD2 3.22Å; V225-Y229 WeakPolarHBondContact O-CD2 3.47Å; V225-Y229 PolarHBondContact O-N 3.49Å; V225-Y229 VanDerWaalsContact O-N 3.07Å; V225-H250 VanDerWaalsContact CG1-CE1 3.48Å; V225-H250 WeakPolarHBondContact CG1-CE1 3.4Å
226	T	96.1	Very high	96.3	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.08	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-44.4	175.5	45.6	0	0	0	0	112.2	L222 R223 E224 I228 Y229 D230 H250 L259	L222-T226 PolarHBondContact O-N 3.03Å; L222-T226 PolarHBondContact O-OG1 3.35Å; R223-T226 WeakPolarHBondContact CA-OG1 3.29Å; R223-T226 PolarHBondContact O-OG1 2.95Å; E224-T226 VanDerWaalsContact C-N 3.35Å; E224-T226 PolarHBondContact O-N 3.49Å; T226-I228 PolarHBondContact O-N 3Å; T226-Y229 WeakPolarHBondContact O-CA 3.45Å; T226-Y229 WeakPolarHBondContact O-CB 3.34Å; T226-Y229 PolarHBondContact O-N 3.28Å; T226-D230 PolarHBondContact O-N 3.28Å; T226-H250 VanDerWaalsContact CG2-NE2 3.28Å; T226-H250 WeakPolarHBondContact CG2-NE2 3.34Å; T226-L259 HydrophobicContact CG2-CB 3.87Å; T226-L259 HydrophobicContact CG2-CD2 3.92Å; T226-L259 HydrophobicContact CG2-CG 4.32Å; T226-L259 PolarHBondContact OG1-O 3.3Å
227	A	96.6	Very high	96.3	Very high	38 Å²	38	44.7 Å²	44.7	31%	0.314	24%	0.242	S	C	.	.	H	α-helix	trans	-58	-35.9	175.5	0	0	0	0	0	112.8	R223 E224 R231	R223-A227 WeakPolarHBondContact O-CB 3.38Å; R223-A227 PolarHBondContact O-N 3.36Å; E224-A227 PolarHBondContact O-N 2.96Å; A227-R231 WeakPolarHBondContact O-CG 3.2Å; A227-R231 PolarHBondContact O-N 3.43Å
228	I	98.1	Very high	96.4	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-67.3	-42.3	174	-66.4	161.8	0	0	0	110.9	W209 Y212 I213 E216 E224 V225 T226 R231 I232	W209-I228 HydrophobicContact CE3-CG2 3.74Å; W209-I228 HydrophobicContact CZ3-CG2 3.93Å; Y212-I228 HydrophobicContact CD1-CD1 3.85Å; Y212-I228 HydrophobicContact CD1-CG1 4.16Å; Y212-I228 HydrophobicContact CD2-CD1 3.87Å; Y212-I228 HydrophobicContact CE1-CD1 3.86Å; Y212-I228 HydrophobicContact CE1-CG1 4.04Å; Y212-I228 HydrophobicContact CE2-CD1 3.88Å; Y212-I228 HydrophobicContact CG-CD1 3.85Å; I213-I228 HydrophobicContact CD1-CG2 4.11Å; I213-I228 HydrophobicContact CG1-CB 4.27Å; I213-I228 HydrophobicContact CG1-CG2 3.5Å; E216-I228 HydrophobicContact CB-CD1 4.29Å; E216-I228 HydrophobicContact CG-CD1 3.8Å; E224-I228 WeakPolarHBondContact O-CD1 3.4Å; E224-I228 WeakPolarHBondContact O-CG1 3.34Å; E224-I228 PolarHBondContact O-N 3.45Å; V225-I228 PolarHBondContact O-N 3.41Å; T226-I228 PolarHBondContact O-N 3Å; I228-R231 PolarHBondContact O-N 3.4Å; I228-I232 WeakPolarHBondContact O-CG2 3.48Å; I228-I232 PolarHBondContact O-N 2.94Å
229	Y	98.2	Very high	96.6	Very high	6 Å²	6	41.6 Å²	41.6	2%	0.024	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-42.1	174.9	-83.1	-65.8	0	0	0	112.7	I213 V225 T226 R231 I232 L233 H243 R246 F247 H250	I213-Y229 HydrophobicContact CD1-CD1 4.16Å; I213-Y229 HydrophobicContact CD1-CE1 3.77Å; I213-Y229 HydrophobicContact CD1-CE2 4.41Å; I213-Y229 HydrophobicContact CG2-CE2 3.97Å; V225-Y229 HydrophobicContact CG1-CD2 3.89Å; V225-Y229 HydrophobicContact CG1-CE2 3.68Å; V225-Y229 VanDerWaalsContact O-CD2 3.22Å; V225-Y229 WeakPolarHBondContact O-CD2 3.47Å; V225-Y229 PolarHBondContact O-N 3.49Å; V225-Y229 VanDerWaalsContact O-N 3.07Å; T226-Y229 WeakPolarHBondContact O-CA 3.45Å; T226-Y229 WeakPolarHBondContact O-CB 3.34Å; T226-Y229 PolarHBondContact O-N 3.28Å; Y229-R231 PolarHBondContact O-N 3.15Å; Y229-I232 HydrophobicContact CD1-CG2 4.29Å; Y229-I232 PolarHBondContact O-N 3.07Å; Y229-L233 VanDerWaalsContact O-CB 3.3Å; Y229-L233 WeakPolarHBondContact O-CB 3.38Å; Y229-L233 WeakPolarHBondContact O-CG 3.41Å; Y229-L233 PolarHBondContact O-N 3.16Å; Y229-H243 WeakPolarHBondContact CE1-O 3.43Å; Y229-R246 HydrophobicContact CE1-CB 4.41Å; Y229-R246 VanDerWaalsContact OH-CB 3.27Å; Y229-R246 WeakPolarHBondContact OH-CB 3.34Å; Y229-F247 HydrophobicContact CD1-CB 3.69Å; Y229-F247 HydrophobicContact CD1-CD2 4.11Å; Y229-F247 HydrophobicContact CD1-CG 4.35Å; Y229-F247 AromaticContact CD2-CD2 3.87Å; Y229-F247 HydrophobicContact CD2-CD2 3.87Å; Y229-F247 HydrophobicContact CE1-CB 3.84Å; Y229-F247 HydrophobicContact CG-CB 4.06Å; Y229-F247 AromaticContact CG-CD2 3.59Å; Y229-F247 HydrophobicContact CG-CD2 3.59Å; Y229-F247 HydrophobicContact CG-CG 4.28Å; Y229-H250 HydrophobicContact CE2-CB 4.19Å
230	D	96.2	Very high	96.8	Very high	66 Å²	66	40.2 Å²	40.2	35%	0.353	22%	0.219	S	C	.	.	H	α-helix	trans	-56.7	-38.4	177.4	-66.1	-0.4	0	0	0	111.1	T226 H317	T226-D230 PolarHBondContact O-N 3.28Å; D230-H317 IonicContact OD1-CD2 3.98Å; D230-H317 IonicContact OD1-CE1 3.95Å; D230-H317 IonicContact OD1-NE2 2.61Å; D230-H317 PolarHBondContact OD1-NE2 2.97Å
231	R	97.6	Very high	97	Very high	83 Å²	83	41 Å²	41	31%	0.313	22%	0.216	S	C	.	.	H	α-helix	trans	-72.3	-56	177.1	-66.9	164.4	68.3	-173.8	9.6	112.4	E193 V196 W209 A227 I228 Y229 L233 G234	E193-R231 VanDerWaalsContact CD-NH1 3.28Å; E193-R231 IonicContact OE1-NH1 3.75Å; E193-R231 PolarHBondContact OE1-NH1 3.3Å; E193-R231 IonicContact OE2-CZ 3.83Å; E193-R231 VanDerWaalsContact OE2-CZ 3.29Å; E193-R231 IonicContact OE2-NH1 3.98Å; E193-R231 PolarHBondContact OE2-NH1 2.95Å; E193-R231 IonicContact OE2-NH2 3.66Å; E193-R231 PolarHBondContact OE2-NH2 2.68Å; V196-R231 VanDerWaalsContact CG2-NH2 3.25Å; W209-R231 HydrophobicContact CH2-CB 4.26Å; W209-R231 HydrophobicContact CZ3-CB 4.41Å; A227-R231 WeakPolarHBondContact O-CG 3.2Å; A227-R231 PolarHBondContact O-N 3.43Å; I228-R231 PolarHBondContact O-N 3.4Å; Y229-R231 PolarHBondContact O-N 3.15Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-L233 PolarHBondContact O-N 3.15Å; R231-G234 PolarHBondContact O-N 3.35Å
232	I	98.1	Very high	97.2	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-31.3	-172.5	-173.7	49.5	0	0	0	112.9	W209 I228 Y229 G234 I235 T237	W209-I232 HydrophobicContact CB-CD1 4.31Å; W209-I232 HydrophobicContact CB-CG1 4.07Å; W209-I232 HydrophobicContact CD2-CB 3.99Å; W209-I232 HydrophobicContact CD2-CD1 3.77Å; W209-I232 HydrophobicContact CD2-CG1 3.97Å; W209-I232 HydrophobicContact CE3-CB 4.04Å; W209-I232 HydrophobicContact CG-CB 4.29Å; W209-I232 HydrophobicContact CG-CD1 3.56Å; W209-I232 HydrophobicContact CG-CG1 3.77Å; W209-I232 HydrophobicContact CZ2-CD1 4.4Å; W209-I232 HydrophobicContact CZ3-CB 4.48Å; I228-I232 WeakPolarHBondContact O-CG2 3.48Å; I228-I232 PolarHBondContact O-N 2.94Å; Y229-I232 HydrophobicContact CD1-CG2 4.29Å; Y229-I232 PolarHBondContact O-N 3.07Å; I232-G234 PolarHBondContact O-N 2.91Å; I232-I235 HydrophobicContact CD1-CB 4.13Å; I232-I235 HydrophobicContact CD1-CG2 4.48Å; I232-I235 PolarHBondContact O-N 3.11Å; I232-T237 HydrophobicContact CD1-CG2 3.61Å
233	L	97.8	Very high	97.4	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.5	178.2	-70.3	174.5	0	0	0	113.1	Y229 R231 H243 F244 F247 H317 M320 N324	Y229-L233 VanDerWaalsContact O-CB 3.3Å; Y229-L233 WeakPolarHBondContact O-CB 3.38Å; Y229-L233 WeakPolarHBondContact O-CG 3.41Å; Y229-L233 PolarHBondContact O-N 3.16Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-L233 PolarHBondContact O-N 3.15Å; L233-H243 HydrophobicContact CD2-CB 4.36Å; L233-F244 HydrophobicContact CD1-CD2 4.17Å; L233-F244 HydrophobicContact CD2-CB 3.76Å; L233-F244 HydrophobicContact CD2-CD2 4.01Å; L233-F244 HydrophobicContact CD2-CG 4.34Å; L233-F247 HydrophobicContact CD1-CB 4.28Å; L233-F247 HydrophobicContact CD1-CD1 4.27Å; L233-F247 HydrophobicContact CD1-CD2 4.41Å; L233-F247 HydrophobicContact CD1-CG 4.05Å; L233-H317 HydrophobicContact CD1-CB 4.35Å; L233-M320 HydrophobicContact CB-CE 3.44Å; L233-M320 VanDerWaalsContact CB-CE 3.44Å; L233-M320 HydrophobicContact CB-CG 4.44Å; L233-M320 HydrophobicContact CB-SD 4.11Å; L233-M320 HydrophobicContact CD1-CE 4Å; L233-M320 HydrophobicContact CG-CE 4.37Å; L233-N324 VanDerWaalsContact O-CB 3.28Å; L233-N324 WeakPolarHBondContact O-CB 3.4Å; L233-N324 PolarHBondContact O-ND2 2.96Å
234	G	96.2	Very high	97.5	Very high	43 Å²	43	35.6 Å²	35.6	44%	0.443	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.7	170.1	0	0	0	0	0	114.8	R231 I232	R231-G234 PolarHBondContact O-N 3.35Å; I232-G234 PolarHBondContact O-N 2.91Å
235	I	96.6	Very high	97.7	Very high	32 Å²	32	35.2 Å²	35.2	16%	0.164	19%	0.191	C	C	.	.	S	Bend	trans	-105.3	126.9	-176.8	-63.3	171.4	0	0	0	109.8	W209 I232 T237 N324	W209-I235 HydrophobicContact CH2-CD1 4.32Å; W209-I235 HydrophobicContact CZ2-CD1 3.69Å; I232-I235 HydrophobicContact CD1-CB 4.13Å; I232-I235 HydrophobicContact CD1-CG2 4.48Å; I232-I235 PolarHBondContact O-N 3.11Å; I235-T237 HydrophobicContact CG2-CG2 4.19Å; I235-T237 PolarHBondContact O-N 2.85Å; I235-N324 PolarHBondContact O-ND2 3.35Å
236	P	97.8	Very high	97.7	Very high	7 Å²	7	38.2 Å²	38.2	5%	0.045	20%	0.202	C	C	.	.			trans	-66.6	117.5	174.9	-24	34.3	0	0	0	111.8	F203 N324 E327 V328	F203-P236 HydrophobicContact CD2-CB 4.48Å; F203-P236 WeakPolarHBondContact CD2-O 3.44Å; P236-N324 WeakPolarHBondContact CA-OD1 3.19Å; P236-N324 WeakPolarHBondContact CD-OD1 3.24Å; P236-N324 VanDerWaalsContact CG-OD1 3.3Å; P236-N324 WeakPolarHBondContact CG-OD1 3.25Å; P236-N324 VanDerWaalsContact N-OD1 3.14Å; P236-E327 HydrophobicContact CG-CB 4.09Å; P236-V328 HydrophobicContact CB-CG2 3.63Å
237	T	98.3	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.			trans	-130.3	169.7	174.3	75.1	0	0	0	0	112.2	F203 D206 I232 I235 L239 Y240	F203-T237 WeakPolarHBondContact CE2-O 3.44Å; F203-T237 CarbonylContact O-C 3.46Å; F203-T237 WeakPolarHBondContact O-CA 3.36Å; D206-T237 WeakPolarHBondContact OD1-CB 3.28Å; D206-T237 PolarHBondContact OD1-OG1 3.39Å; I232-T237 HydrophobicContact CD1-CG2 3.61Å; I235-T237 HydrophobicContact CG2-CG2 4.19Å; I235-T237 PolarHBondContact O-N 2.85Å; T237-L239 VanDerWaalsContact C-N 3.33Å; T237-Y240 WeakPolarHBondContact O-CD1 3.5Å; T237-Y240 PolarHBondContact OG1-N 3.16Å; T237-Y240 VanDerWaalsContact OG1-N 3.14Å
238	Q	98	Very high	97.9	Very high	82 Å²	82	38 Å²	38	38%	0.383	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-36.8	178.7	-173.5	175.5	13.8	0	0	111.9	F203 W332	F203-Q238 HydrophobicContact CD1-CB 4.05Å; F203-Q238 HydrophobicContact CE1-CB 3.72Å; F203-Q238 HydrophobicContact CE1-CG 4.21Å; F203-Q238 HydrophobicContact CZ-CB 4.38Å; F203-Q238 PolarHBondContact O-N 3.32Å; Q238-W332 HydrophobicContact CG-CH2 4.4Å; Q238-W332 HydrophobicContact CG-CZ3 4.46Å
239	L	98.1	Very high	97.8	Very high	77 Å²	77	41.8 Å²	41.8	40%	0.403	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	29.1	-176.5	-52.6	179.2	0	0	0	112.8	D206 T237 S241 H242 H243	D206-L239 HydrophobicContact CB-CB 4.29Å; D206-L239 HydrophobicContact CB-CD1 4.21Å; D206-L239 HydrophobicContact CB-CG 4.38Å; D206-L239 WeakPolarHBondContact OD1-CA 3.4Å; D206-L239 WeakPolarHBondContact OD1-CB 3.4Å; D206-L239 PolarHBondContact OD1-N 2.83Å; T237-L239 VanDerWaalsContact C-N 3.33Å; L239-S241 PolarHBondContact O-N 3.26Å; L239-H242 HydrophobicContact CB-CB 4.08Å; L239-H242 WeakPolarHBondContact O-CA 3.41Å; L239-H242 VanDerWaalsContact O-CB 3.27Å; L239-H242 WeakPolarHBondContact O-CB 3.39Å; L239-H242 PolarHBondContact O-N 3.08Å; L239-H243 PolarHBondContact O-CD2 3.4Å; L239-H243 PolarHBondContact O-N 3.37Å
240	Y	98.2	Very high	97.8	Very high	38 Å²	38	42.2 Å²	42.2	15%	0.149	21%	0.213	C	C	.	.	H	α-helix	trans	-47.6	-38.3	178.9	71.7	-77	0	0	0	113.8	T237 H243 F244 F321 E325 V328	T237-Y240 WeakPolarHBondContact O-CD1 3.5Å; T237-Y240 PolarHBondContact OG1-N 3.16Å; T237-Y240 VanDerWaalsContact OG1-N 3.14Å; Y240-H243 PolarHBondContact O-N 3.33Å; Y240-F244 PolarHBondContact O-N 3.04Å; Y240-F244 VanDerWaalsContact O-N 3.13Å; Y240-F321 HydrophobicContact CD2-CD2 4.05Å; Y240-F321 AromaticContact CD2-CE2 3.36Å; Y240-F321 HydrophobicContact CD2-CE2 3.36Å; Y240-F321 HydrophobicContact CD2-CZ 4.01Å; Y240-F321 HydrophobicContact CE2-CD2 4.48Å; Y240-F321 AromaticContact CE2-CE2 3.52Å; Y240-F321 HydrophobicContact CE2-CE2 3.52Å; Y240-F321 AromaticContact CE2-CZ 3.65Å; Y240-F321 HydrophobicContact CE2-CZ 3.65Å; Y240-E325 HydrophobicContact CD2-CB 4.35Å; Y240-E325 HydrophobicContact CE2-CB 3.62Å; Y240-E325 HydrophobicContact CE2-CG 3.71Å; Y240-E325 PolarHBondContact OH-OE1 2.74Å; Y240-V328 HydrophobicContact CD1-CB 4.32Å; Y240-V328 HydrophobicContact CD1-CG1 3.91Å; Y240-V328 HydrophobicContact CD1-CG2 3.92Å; Y240-V328 HydrophobicContact CE1-CB 4.24Å; Y240-V328 HydrophobicContact CE1-CG1 3.66Å; Y240-V328 HydrophobicContact CE1-CG2 4.34Å; Y240-V328 HydrophobicContact CG-CG2 4.05Å
241	S	98.1	Very high	97.8	Very high	66 Å²	66	39.1 Å²	39.1	46%	0.462	20%	0.196	S	C	.	.	H	α-helix	trans	-68.2	-32.3	176.6	61.7	0	0	0	0	113.8	L239 Q245	L239-S241 PolarHBondContact O-N 3.26Å; S241-Q245 PolarHBondContact O-N 3.02Å
242	H	98.3	Very high	97.7	Very high	80 Å²	80	40 Å²	40	37%	0.37	20%	0.204	S	C	.	.	H	α-helix	trans	-67.6	-45.9	173.8	-174.4	59	0	0	0	111	E210 L239 F244 Q245 R246	E210-H242 IonicContact OE1-CD2 2.71Å; E210-H242 PolarHBondContact OE1-CD2 3.45Å; E210-H242 IonicContact OE1-NE2 3.55Å; L239-H242 HydrophobicContact CB-CB 4.08Å; L239-H242 WeakPolarHBondContact O-CA 3.41Å; L239-H242 VanDerWaalsContact O-CB 3.27Å; L239-H242 WeakPolarHBondContact O-CB 3.39Å; L239-H242 PolarHBondContact O-N 3.08Å; H242-F244 VanDerWaalsContact C-N 3.28Å; H242-F244 PolarHBondContact O-N 3.38Å; H242-Q245 PolarHBondContact O-N 3.37Å; H242-R246 WeakPolarHBondContact NE2-CD 3.32Å; H242-R246 WeakPolarHBondContact O-CG 3.38Å; H242-R246 PolarHBondContact O-N 2.86Å
243	H	98.3	Very high	97.6	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-43.5	176.4	-60.3	-40.5	0	0	0	111.3	D206 E210 Y229 L233 L239 Y240 Q245 R246 F247	D206-H243 IonicContact OD1-CD2 2.77Å; D206-H243 IonicContact OD1-CE1 3.46Å; D206-H243 IonicContact OD1-NE2 3.53Å; D206-H243 PolarHBondContact OD1-NE2 3.01Å; E210-H243 IonicContact OE1-CE1 2.69Å; Y229-H243 WeakPolarHBondContact CE1-O 3.43Å; L233-H243 HydrophobicContact CD2-CB 4.36Å; L239-H243 PolarHBondContact O-CD2 3.4Å; L239-H243 PolarHBondContact O-N 3.37Å; Y240-H243 PolarHBondContact O-N 3.33Å; H243-Q245 PolarHBondContact O-N 3.06Å; H243-R246 PolarHBondContact O-N 3.05Å; H243-F247 PolarHBondContact O-N 3.33Å
244	F	98.4	Very high	97.4	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-67.3	-36.9	178.3	-174	-126.8	0	0	0	113.6	L233 Y240 H242 F247 K248 H317 Q318 F321	L233-F244 HydrophobicContact CD1-CD2 4.17Å; L233-F244 HydrophobicContact CD2-CB 3.76Å; L233-F244 HydrophobicContact CD2-CD2 4.01Å; L233-F244 HydrophobicContact CD2-CG 4.34Å; Y240-F244 PolarHBondContact O-N 3.04Å; Y240-F244 VanDerWaalsContact O-N 3.13Å; H242-F244 VanDerWaalsContact C-N 3.28Å; H242-F244 PolarHBondContact O-N 3.38Å; F244-F247 HydrophobicContact CD2-CD1 4.27Å; F244-F247 HydrophobicContact CE2-CD1 4.26Å; F244-F247 WeakPolarHBondContact O-CB 3.43Å; F244-F247 PolarHBondContact O-N 3.29Å; F244-K248 HydrophobicContact CE1-CD 4.34Å; F244-K248 HydrophobicContact CZ-CD 4.45Å; F244-K248 WeakPolarHBondContact O-CG 3.36Å; F244-K248 PolarHBondContact O-N 3.35Å; F244-H317 HydrophobicContact CE2-CB 4Å; F244-Q318 HydrophobicContact CZ-CB 3.91Å; F244-Q318 HydrophobicContact CZ-CG 4.36Å; F244-Q318 VanDerWaalsContact CZ-OE1 3.24Å; F244-F321 HydrophobicContact CB-CD2 3.47Å; F244-F321 VanDerWaalsContact CB-CD2 3.47Å; F244-F321 HydrophobicContact CB-CE2 3.84Å; F244-F321 HydrophobicContact CB-CG 4.2Å; F244-F321 HydrophobicContact CD1-CB 4.04Å; F244-F321 AromaticContact CD1-CD1 3.79Å; F244-F321 HydrophobicContact CD1-CD1 3.79Å; F244-F321 AromaticContact CD1-CD2 3.51Å; F244-F321 HydrophobicContact CD1-CD2 3.51Å; F244-F321 HydrophobicContact CD1-CE1 4.14Å; F244-F321 AromaticContact CD1-CE2 3.87Å; F244-F321 HydrophobicContact CD1-CE2 3.87Å; F244-F321 AromaticContact CD1-CG 3.45Å; F244-F321 HydrophobicContact CD1-CG 3.45Å; F244-F321 VanDerWaalsContact CD1-CG 3.45Å; F244-F321 HydrophobicContact CD1-CZ 4.17Å; F244-F321 HydrophobicContact CD2-CB 3.93Å; F244-F321 HydrophobicContact CD2-CD2 4.25Å; F244-F321 HydrophobicContact CD2-CG 4.18Å; F244-F321 HydrophobicContact CE1-CB 4.02Å; F244-F321 AromaticContact CE1-CD1 3.77Å; F244-F321 HydrophobicContact CE1-CD1 3.77Å; F244-F321 HydrophobicContact CE1-CD2 4.25Å; F244-F321 HydrophobicContact CE1-CE1 4.34Å; F244-F321 AromaticContact CE1-CG 3.71Å; F244-F321 HydrophobicContact CE1-CG 3.71Å; F244-F321 HydrophobicContact CE2-CB 3.97Å; F244-F321 HydrophobicContact CE2-CG 4.44Å; F244-F321 HydrophobicContact CG-CB 3.98Å; F244-F321 HydrophobicContact CG-CD1 4.48Å; F244-F321 AromaticContact CG-CD2 3.5Å; F244-F321 HydrophobicContact CG-CD2 3.5Å; F244-F321 VanDerWaalsContact CG-CD2 3.5Å; F244-F321 HydrophobicContact CG-CE2 4.12Å; F244-F321 AromaticContact CG-CG 3.7Å; F244-F321 HydrophobicContact CG-CG 3.7Å; F244-F321 HydrophobicContact CZ-CB 4.01Å; F244-F321 HydrophobicContact CZ-CD1 4.5Å; F244-F321 HydrophobicContact CZ-CG 4.23Å
245	Q	98.4	Very high	97.2	Very high	90 Å²	90	49.8 Å²	49.8	42%	0.421	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-42.4	173.1	180	55.2	34	0	0	111.5	S241 H242 H243 F247 K248 E249	S241-Q245 PolarHBondContact O-N 3.02Å; H242-Q245 PolarHBondContact O-N 3.37Å; H243-Q245 PolarHBondContact O-N 3.06Å; Q245-F247 VanDerWaalsContact C-N 3.35Å; Q245-K248 WeakPolarHBondContact O-CB 3.49Å; Q245-K248 PolarHBondContact O-N 3.17Å; Q245-E249 PolarHBondContact NE2-OE1 3.18Å; Q245-E249 WeakPolarHBondContact O-CG 3.27Å; Q245-E249 PolarHBondContact O-N 3.46Å; Q245-E249 VanDerWaalsContact O-N 3.08Å
246	R	98.3	Very high	96.9	Very high	63 Å²	63	48.3 Å²	48.3	24%	0.238	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-34	176.5	-66.4	-171.9	74.2	172.9	-2.7	112.7	N214 Y229 H242 H243 E249 H250	N214-R246 PolarHBondContact OD1-NH2 3.02Å; Y229-R246 HydrophobicContact CE1-CB 4.41Å; Y229-R246 VanDerWaalsContact OH-CB 3.27Å; Y229-R246 WeakPolarHBondContact OH-CB 3.34Å; H242-R246 WeakPolarHBondContact NE2-CD 3.32Å; H242-R246 WeakPolarHBondContact O-CG 3.38Å; H242-R246 PolarHBondContact O-N 2.86Å; H243-R246 PolarHBondContact O-N 3.05Å; R246-E249 PolarHBondContact O-N 2.93Å; R246-H250 WeakPolarHBondContact O-CB 3.42Å; R246-H250 PolarHBondContact O-N 3.38Å
247	F	98.4	Very high	96.4	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-46.8	170.4	173.7	-102.8	0	0	0	111.5	Y229 L233 H243 F244 Q245 E249 H250 V251 I313 H317	Y229-F247 HydrophobicContact CD1-CB 3.69Å; Y229-F247 HydrophobicContact CD1-CD2 4.11Å; Y229-F247 HydrophobicContact CD1-CG 4.35Å; Y229-F247 AromaticContact CD2-CD2 3.87Å; Y229-F247 HydrophobicContact CD2-CD2 3.87Å; Y229-F247 HydrophobicContact CE1-CB 3.84Å; Y229-F247 HydrophobicContact CG-CB 4.06Å; Y229-F247 AromaticContact CG-CD2 3.59Å; Y229-F247 HydrophobicContact CG-CD2 3.59Å; Y229-F247 HydrophobicContact CG-CG 4.28Å; L233-F247 HydrophobicContact CD1-CB 4.28Å; L233-F247 HydrophobicContact CD1-CD1 4.27Å; L233-F247 HydrophobicContact CD1-CD2 4.41Å; L233-F247 HydrophobicContact CD1-CG 4.05Å; H243-F247 PolarHBondContact O-N 3.33Å; F244-F247 HydrophobicContact CD2-CD1 4.27Å; F244-F247 HydrophobicContact CE2-CD1 4.26Å; F244-F247 WeakPolarHBondContact O-CB 3.43Å; F244-F247 PolarHBondContact O-N 3.29Å; Q245-F247 VanDerWaalsContact C-N 3.35Å; F247-E249 VanDerWaalsContact C-N 3.32Å; F247-E249 PolarHBondContact O-N 3.38Å; F247-H250 WeakPolarHBondContact O-CB 3.49Å; F247-H250 PolarHBondContact O-N 3.38Å; F247-H250 VanDerWaalsContact O-N 3.16Å; F247-V251 HydrophobicContact CD1-CG2 4.39Å; F247-V251 HydrophobicContact CD2-CG2 4.3Å; F247-V251 HydrophobicContact CE1-CG2 3.89Å; F247-V251 HydrophobicContact CE2-CG2 3.83Å; F247-V251 HydrophobicContact CZ-CG2 3.6Å; F247-V251 WeakPolarHBondContact O-CG2 3.42Å; F247-V251 PolarHBondContact O-N 2.98Å; F247-I313 HydrophobicContact CE1-CG2 4.35Å; F247-I313 HydrophobicContact CZ-CG2 3.75Å; F247-H317 HydrophobicContact CD1-CB 4.09Å; F247-H317 HydrophobicContact CE1-CB 3.46Å; F247-H317 VanDerWaalsContact CE1-CB 3.46Å; F247-H317 AromaticContact CE1-CD2 3.87Å; F247-H317 AromaticContact CE1-CG 3.36Å; F247-H317 AromaticContact CE1-ND1 3.71Å; F247-H317 HydrophobicContact CZ-CB 4.02Å; F247-H317 AromaticContact CZ-CD2 3.53Å; F247-H317 AromaticContact CZ-CE1 3.61Å; F247-H317 AromaticContact CZ-CG 3.36Å; F247-H317 AromaticContact CZ-ND1 3.4Å; F247-H317 WeakPolarHBondContact CZ-ND1 3.39Å; F247-H317 AromaticContact CZ-NE2 3.7Å
248	K	98	Very high	96.1	Very high	46 Å²	46	59.7 Å²	59.7	20%	0.2	29%	0.286	C	S	.	.	H	α-helix	trans	-57.9	-45.1	175.9	-72.6	177.6	177.5	176.1	0	111.7	F244 Q245 V251 Q252 I314	F244-K248 HydrophobicContact CE1-CD 4.34Å; F244-K248 HydrophobicContact CZ-CD 4.45Å; F244-K248 WeakPolarHBondContact O-CG 3.36Å; F244-K248 PolarHBondContact O-N 3.35Å; Q245-K248 WeakPolarHBondContact O-CB 3.49Å; Q245-K248 PolarHBondContact O-N 3.17Å; K248-V251 PolarHBondContact O-N 2.98Å; K248-Q252 WeakPolarHBondContact O-CB 3.46Å; K248-Q252 VanDerWaalsContact O-CG 3.24Å; K248-Q252 WeakPolarHBondContact O-CG 2.98Å; K248-Q252 PolarHBondContact O-N 3.14Å; K248-I314 HydrophobicContact CD-CG2 4.46Å; K248-I314 HydrophobicContact CG-CD1 4.49Å; K248-I314 HydrophobicContact CG-CG1 4.45Å; K248-I314 HydrophobicContact CG-CG2 4.19Å
249	E	97.6	Very high	95.8	Very high	84 Å²	84	56 Å²	56	39%	0.393	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-41.2	176.3	-70.6	168.3	-162.2	0	0	112	Q245 R246 F247 Q252 N253	Q245-E249 PolarHBondContact NE2-OE1 3.18Å; Q245-E249 WeakPolarHBondContact O-CG 3.27Å; Q245-E249 PolarHBondContact O-N 3.46Å; Q245-E249 VanDerWaalsContact O-N 3.08Å; R246-E249 PolarHBondContact O-N 2.93Å; F247-E249 VanDerWaalsContact C-N 3.32Å; F247-E249 PolarHBondContact O-N 3.38Å; E249-Q252 PolarHBondContact O-N 3.04Å; E249-N253 VanDerWaalsContact O-CB 3.28Å; E249-N253 WeakPolarHBondContact O-CB 3.49Å; E249-N253 PolarHBondContact O-N 3.02Å; E249-N253 PolarHBondContact O-ND2 2.88Å
250	H	97.3	Very high	95.4	Very high	15 Å²	15	53.6 Å²	53.6	7%	0.069	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-44.9	175.4	172.4	76.4	0	0	0	111.9	V225 T226 Y229 R246 F247 N254 L259	V225-H250 VanDerWaalsContact CG1-CE1 3.48Å; V225-H250 WeakPolarHBondContact CG1-CE1 3.4Å; T226-H250 VanDerWaalsContact CG2-NE2 3.28Å; T226-H250 WeakPolarHBondContact CG2-NE2 3.34Å; Y229-H250 HydrophobicContact CE2-CB 4.19Å; R246-H250 WeakPolarHBondContact O-CB 3.42Å; R246-H250 PolarHBondContact O-N 3.38Å; F247-H250 WeakPolarHBondContact O-CB 3.49Å; F247-H250 PolarHBondContact O-N 3.38Å; F247-H250 VanDerWaalsContact O-N 3.16Å; H250-N254 PolarHBondContact ND1-ND2 3.41Å; H250-N254 WeakPolarHBondContact O-CB 3.42Å; H250-N254 PolarHBondContact O-N 3.46Å; H250-N254 PolarHBondContact O-ND2 3.49Å; H250-L259 WeakPolarHBondContact NE2-CD2 3.46Å
251	V	96.9	Very high	95	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-40.1	177	174.6	0	0	0	0	111.9	F247 K248 L259 R310 I313 I314	F247-V251 HydrophobicContact CD1-CG2 4.39Å; F247-V251 HydrophobicContact CD2-CG2 4.3Å; F247-V251 HydrophobicContact CE1-CG2 3.89Å; F247-V251 HydrophobicContact CE2-CG2 3.83Å; F247-V251 HydrophobicContact CZ-CG2 3.6Å; F247-V251 WeakPolarHBondContact O-CG2 3.42Å; F247-V251 PolarHBondContact O-N 2.98Å; K248-V251 PolarHBondContact O-N 2.98Å; V251-L259 HydrophobicContact CB-CD1 4.43Å; V251-L259 HydrophobicContact CG1-CD1 4.45Å; V251-L259 HydrophobicContact CG2-CD1 4.22Å; V251-R310 HydrophobicContact CG1-CB 3.95Å; V251-R310 HydrophobicContact CG1-CG 3.88Å; V251-R310 PolarHBondContact O-NE 3.07Å; V251-I313 HydrophobicContact CG1-CG2 4.33Å; V251-I313 HydrophobicContact CG2-CG2 3.95Å; V251-I314 HydrophobicContact CB-CD1 4.5Å; V251-I314 HydrophobicContact CB-CG1 4.34Å; V251-I314 HydrophobicContact CG1-CD1 4.2Å; V251-I314 HydrophobicContact CG1-CG1 4.07Å
252	Q	95.4	Very high	94.4	Very high	101 Å²	101	53.5 Å²	53.5	47%	0.472	27%	0.265	S	S	.	.	H	α-helix	trans	-68.6	-34.7	-179.9	-75.5	176.6	-10.8	0	0	113	K248 E249 R310	K248-Q252 WeakPolarHBondContact O-CB 3.46Å; K248-Q252 VanDerWaalsContact O-CG 3.24Å; K248-Q252 WeakPolarHBondContact O-CG 2.98Å; K248-Q252 PolarHBondContact O-N 3.14Å; E249-Q252 PolarHBondContact O-N 3.04Å; Q252-R310 PolarHBondContact O-NH1 2.7Å; Q252-R310 PolarHBondContact O-NH2 3.36Å
253	N	95	Very high	93.8	Very high	125 Å²	125	57.1 Å²	57.1	67%	0.668	28%	0.282	S	S	*	.	H	α-helix	trans	-90	-9.8	-174.5	-66.7	-31.3	0	0	0	114	E249	E249-N253 VanDerWaalsContact O-CB 3.28Å; E249-N253 WeakPolarHBondContact O-CB 3.49Å; E249-N253 PolarHBondContact O-N 3.02Å; E249-N253 PolarHBondContact O-ND2 2.88Å
254	N	94.4	Very high	93.4	Very high	37 Å²	37	61.2 Å²	61.2	20%	0.198	30%	0.301	C	S	.	.	S	Bend	trans	-121.9	164.7	-176.4	-65	-70.7	0	0	0	112.6	L222 H250 L259 R310	L222-N254 HydrophobicContact CD1-CB 4.19Å; L222-N254 WeakPolarHBondContact CD1-OD1 3.46Å; H250-N254 PolarHBondContact ND1-ND2 3.41Å; H250-N254 WeakPolarHBondContact O-CB 3.42Å; H250-N254 PolarHBondContact O-N 3.46Å; H250-N254 PolarHBondContact O-ND2 3.49Å; N254-L259 HydrophobicContact CB-CD2 3.79Å; N254-L259 HydrophobicContact CB-CG 4.35Å; N254-R310 PolarHBondContact O-NE 3.07Å; N254-R310 PolarHBondContact O-NH2 3.23Å
255	L	91.3	Very high	92.8	Very high	92 Å²	92	62.3 Å²	62.3	48%	0.482	31%	0.306	S	S	.	.			trans	-86.5	132.3	178.7	-66	174.3	0	0	0	110.6	R257 D258 L259 I306	L255-R257 PolarHBondContact O-N 2.84Å; L255-D258 PolarHBondContact O-N 2.84Å; L255-L259 WeakPolarHBondContact O-CG 3.19Å; L255-L259 PolarHBondContact O-N 3.45Å; L255-I306 HydrophobicContact CD2-CD1 4.41Å
256	P	90.3	Very high	92.3	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.013	30%	0.301	C	S	.	.	H	α-helix	trans	-55.6	-26.3	-178.2	-28.4	35.3	0	0	0	115.5	D258 L259 L260 F265 I306 M309 R310 I313	P256-D258 VanDerWaalsContact C-N 3.27Å; P256-D258 PolarHBondContact O-N 3.5Å; P256-L259 PolarHBondContact O-N 3.13Å; P256-L260 PolarHBondContact O-N 2.93Å; P256-F265 HydrophobicContact CB-CD2 4.46Å; P256-F265 HydrophobicContact CB-CE2 4.15Å; P256-I306 HydrophobicContact CG-CG2 4.18Å; P256-M309 HydrophobicContact CB-CB 4.24Å; P256-M309 HydrophobicContact CB-SD 4.43Å; P256-M309 HydrophobicContact CG-CB 4.09Å; P256-R310 HydrophobicContact CG-CG 3.99Å; P256-I313 HydrophobicContact CB-CD1 4.36Å
257	R	88.4	Confident	91.8	Very high	177 Å²	177	62.6 Å²	62.6	67%	0.668	31%	0.311	S	S	*	.	H	α-helix	trans	-65.1	-29.9	175.9	178.9	178.5	172.1	136.4	0.8	113.3	R223 L255 F265	R223-R257 PolarHBondContact NH2-O 3.19Å; L255-R257 PolarHBondContact O-N 2.84Å; R257-F265 HydrophobicContact CB-CD2 4.32Å; R257-F265 HydrophobicContact CB-CE2 3.98Å; R257-F265 HydrophobicContact CB-CZ 4.47Å
258	D	91.5	Very high	91.3	Very high	69 Å²	69	63 Å²	63	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-89.5	-14.4	-179.6	-54.9	-33.1	0	0	0	111.4	L222 R223 L255 P256	L222-D258 HydrophobicContact CD1-CB 4.06Å; R223-D258 WeakPolarHBondContact CG-O 3.28Å; R223-D258 PolarHBondContact N-O 3.41Å; L255-D258 PolarHBondContact O-N 2.84Å; P256-D258 VanDerWaalsContact C-N 3.27Å; P256-D258 PolarHBondContact O-N 3.5Å
259	L	91.6	Very high	90.7	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-89.4	-34	-179.5	-62.3	-168.6	0	0	0	113.3	L222 T226 H250 V251 N254 L255 P256	L222-L259 HydrophobicContact CB-CD2 4.14Å; T226-L259 HydrophobicContact CG2-CB 3.87Å; T226-L259 HydrophobicContact CG2-CD2 3.92Å; T226-L259 HydrophobicContact CG2-CG 4.32Å; T226-L259 PolarHBondContact OG1-O 3.3Å; H250-L259 WeakPolarHBondContact NE2-CD2 3.46Å; V251-L259 HydrophobicContact CB-CD1 4.43Å; V251-L259 HydrophobicContact CG1-CD1 4.45Å; V251-L259 HydrophobicContact CG2-CD1 4.22Å; N254-L259 HydrophobicContact CB-CD2 3.79Å; N254-L259 HydrophobicContact CB-CG 4.35Å; L255-L259 WeakPolarHBondContact O-CG 3.19Å; L255-L259 PolarHBondContact O-N 3.45Å; P256-L259 PolarHBondContact O-N 3.13Å
260	L	89.6	Confident	90.1	Very high	27 Å²	27	64.8 Å²	64.8	14%	0.141	32%	0.315	C	S	.	.	S	Bend	trans	-110.9	155.3	-172.9	-63.3	177.6	0	0	0	111.7	R223 P256 Q264 F265 L268 I313	R223-L260 VanDerWaalsContact CZ-O 3.24Å; R223-L260 PolarHBondContact NE-O 3.39Å; R223-L260 VanDerWaalsContact NE-O 3.14Å; R223-L260 PolarHBondContact NH2-O 3.3Å; P256-L260 PolarHBondContact O-N 2.93Å; L260-Q264 HydrophobicContact CB-CB 4.13Å; L260-Q264 HydrophobicContact CD2-CB 4.37Å; L260-F265 HydrophobicContact CB-CB 4.13Å; L260-L268 HydrophobicContact CD1-CD2 3.82Å; L260-I313 HydrophobicContact CD1-CD1 4Å; L260-I313 HydrophobicContact CG-CD1 4.42Å
261	T	89.4	Confident	89.6	Confident	62 Å²	62	67.2 Å²	67.2	38%	0.38	33%	0.327	S	S	.	.			trans	-63.4	157	163.7	63.1	0	0	0	0	110.3	E263 Q264 F265	T261-E263 PolarHBondContact O-N 3.09Å; T261-Q264 PolarHBondContact O-N 2.92Å; T261-Q264 WeakPolarHBondContact OG1-CB 3.5Å; T261-Q264 VanDerWaalsContact OG1-CD 3.27Å; T261-Q264 VanDerWaalsContact OG1-CG 3.25Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.45Å; T261-Q264 PolarHBondContact OG1-N 2.96Å; T261-Q264 PolarHBondContact OG1-OE1 3.25Å; T261-F265 WeakPolarHBondContact O-CB 3.42Å; T261-F265 PolarHBondContact O-N 3.36Å
262	G	84.7	Confident	89	Confident	41 Å²	41	68.7 Å²	68.7	42%	0.423	33%	0.334	S	S	.	.	H	α-helix	trans	-57.3	-36.5	-179.9	0	0	0	0	0	112.7	I266	G262-I266 WeakPolarHBondContact O-CB 3.26Å; G262-I266 VanDerWaalsContact O-CD1 3.3Å; G262-I266 WeakPolarHBondContact O-CD1 3.25Å; G262-I266 WeakPolarHBondContact O-CG1 3.19Å; G262-I266 PolarHBondContact O-N 2.99Å
263	E	87.4	Confident	88.3	Confident	156 Å²	156	65.9 Å²	65.9	73%	0.729	33%	0.329	S	S	*	.	H	α-helix	trans	-67.1	-51.9	177.3	-175.7	172.6	-169.1	0	0	112.3	T261 F265 I266 Q267	T261-E263 PolarHBondContact O-N 3.09Å; E263-F265 VanDerWaalsContact C-N 3.29Å; E263-F265 PolarHBondContact O-N 3.3Å; E263-I266 PolarHBondContact O-N 3.24Å; E263-Q267 WeakPolarHBondContact O-CB 3.38Å; E263-Q267 PolarHBondContact O-N 3.05Å
264	Q	88.3	Confident	87.6	Confident	88 Å²	88	63 Å²	63	41%	0.411	32%	0.318	S	S	.	.	H	α-helix	trans	-60.2	-40.1	177.4	-72.4	167.8	-38.2	0	0	111.8	L260 T261 Q267 L268	L260-Q264 HydrophobicContact CB-CB 4.13Å; L260-Q264 HydrophobicContact CD2-CB 4.37Å; T261-Q264 PolarHBondContact O-N 2.92Å; T261-Q264 WeakPolarHBondContact OG1-CB 3.5Å; T261-Q264 VanDerWaalsContact OG1-CD 3.27Å; T261-Q264 VanDerWaalsContact OG1-CG 3.25Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.45Å; T261-Q264 PolarHBondContact OG1-N 2.96Å; T261-Q264 PolarHBondContact OG1-OE1 3.25Å; Q264-Q267 PolarHBondContact O-N 3.45Å; Q264-L268 WeakPolarHBondContact O-CB 3.27Å; Q264-L268 PolarHBondContact O-N 3.08Å
265	F	87.4	Confident	86.7	Confident	29 Å²	29	65.8 Å²	65.8	13%	0.127	34%	0.336	C	S	.	.	H	α-helix	trans	-62.1	-47.6	176.8	-178.3	-88.4	0	0	0	111.7	P256 R257 L260 T261 E263 L268 R269 M309	P256-F265 HydrophobicContact CB-CD2 4.46Å; P256-F265 HydrophobicContact CB-CE2 4.15Å; R257-F265 HydrophobicContact CB-CD2 4.32Å; R257-F265 HydrophobicContact CB-CE2 3.98Å; R257-F265 HydrophobicContact CB-CZ 4.47Å; L260-F265 HydrophobicContact CB-CB 4.13Å; T261-F265 WeakPolarHBondContact O-CB 3.42Å; T261-F265 PolarHBondContact O-N 3.36Å; E263-F265 VanDerWaalsContact C-N 3.29Å; E263-F265 PolarHBondContact O-N 3.3Å; F265-L268 PolarHBondContact O-N 3.26Å; F265-R269 WeakPolarHBondContact O-CB 3.44Å; F265-R269 PolarHBondContact O-N 2.87Å; F265-M309 HydrophobicContact CD1-CE 4.43Å; F265-M309 HydrophobicContact CD2-CE 3.43Å; F265-M309 VanDerWaalsContact CD2-CE 3.43Å; F265-M309 HydrophobicContact CD2-SD 4.42Å; F265-M309 HydrophobicContact CE1-CE 4.32Å; F265-M309 HydrophobicContact CE2-CE 3.31Å; F265-M309 HydrophobicContact CE2-SD 3.7Å; F265-M309 HydrophobicContact CG-CE 4.01Å; F265-M309 HydrophobicContact CZ-CE 3.78Å; F265-M309 HydrophobicContact CZ-SD 3.91Å
266	I	86.5	Confident	85.5	Confident	61 Å²	61	66.1 Å²	66.1	31%	0.313	34%	0.339	S	S	.	.	H	α-helix	trans	-65.5	-41	178.8	-68.9	164.5	0	0	0	110.6	G262 E263 R269 R270	G262-I266 WeakPolarHBondContact O-CB 3.26Å; G262-I266 VanDerWaalsContact O-CD1 3.3Å; G262-I266 WeakPolarHBondContact O-CD1 3.25Å; G262-I266 WeakPolarHBondContact O-CG1 3.19Å; G262-I266 PolarHBondContact O-N 2.99Å; E263-I266 PolarHBondContact O-N 3.24Å; I266-R269 PolarHBondContact O-N 2.91Å; I266-R270 WeakPolarHBondContact O-CG 3.4Å; I266-R270 PolarHBondContact O-N 3.29Å
267	Q	87.9	Confident	83.9	Confident	99 Å²	99	68.9 Å²	68.9	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-50	176.6	-179.7	177.3	-14.2	0	0	111.1	E263 Q264 R269 R270 E271	E263-Q267 WeakPolarHBondContact O-CB 3.38Å; E263-Q267 PolarHBondContact O-N 3.05Å; Q264-Q267 PolarHBondContact O-N 3.45Å; Q267-R269 VanDerWaalsContact C-N 3.28Å; Q267-R269 PolarHBondContact O-N 3.29Å; Q267-R270 WeakPolarHBondContact O-CB 3.48Å; Q267-R270 PolarHBondContact O-N 3.06Å; Q267-R270 VanDerWaalsContact O-N 3.08Å; Q267-E271 WeakPolarHBondContact CG-OE1 3.47Å; Q267-E271 PolarHBondContact NE2-OE1 3.36Å; Q267-E271 WeakPolarHBondContact O-CG 3.24Å; Q267-E271 PolarHBondContact O-N 3.27Å
268	L	87.4	Confident	82	Confident	10 Å²	10	68.5 Å²	68.5	5%	0.052	37%	0.373	C	S	.	.	H	α-helix	trans	-58.5	-41.5	178.3	-179.8	60.3	0	0	0	111.8	L260 Q264 F265 E271 L272 M309 R312 I313	L260-L268 HydrophobicContact CD1-CD2 3.82Å; Q264-L268 WeakPolarHBondContact O-CB 3.27Å; Q264-L268 PolarHBondContact O-N 3.08Å; F265-L268 PolarHBondContact O-N 3.26Å; L268-E271 PolarHBondContact O-N 2.93Å; L268-L272 HydrophobicContact CG-CD1 4.46Å; L268-L272 WeakPolarHBondContact O-CG 3.42Å; L268-L272 PolarHBondContact O-N 3.14Å; L268-M309 HydrophobicContact CB-CE 4.13Å; L268-M309 HydrophobicContact CD2-CB 4.1Å; L268-M309 HydrophobicContact CD2-CE 3.72Å; L268-M309 HydrophobicContact CD2-CG 4.23Å; L268-M309 HydrophobicContact CG-CE 3.95Å; L268-M309 HydrophobicContact CG-CG 4.42Å; L268-R312 HydrophobicContact CD1-CB 4.03Å; L268-R312 HydrophobicContact CD1-CG 3.42Å; L268-R312 VanDerWaalsContact CD1-CG 3.42Å; L268-I313 HydrophobicContact CD2-CD1 3.96Å; L268-I313 HydrophobicContact CD2-CG1 3.72Å
269	R	86	Confident	79.6	Confident	30 Å²	30	70.2 Å²	70.2	11%	0.113	39%	0.39	C	S	.	.	H	α-helix	trans	-62	-42.3	175	177.4	176.2	-84.6	179.6	-7.4	112.1	F265 I266 Q267 L272 A273 G292 E305	F265-R269 WeakPolarHBondContact O-CB 3.44Å; F265-R269 PolarHBondContact O-N 2.87Å; I266-R269 PolarHBondContact O-N 2.91Å; Q267-R269 VanDerWaalsContact C-N 3.28Å; Q267-R269 PolarHBondContact O-N 3.29Å; R269-L272 PolarHBondContact O-N 3.13Å; R269-A273 WeakPolarHBondContact O-CB 3.46Å; R269-A273 PolarHBondContact O-N 2.85Å; R269-G292 WeakPolarHBondContact CD-O 3.28Å; R269-E305 WeakPolarHBondContact CD-OE1 3.26Å; R269-E305 WeakPolarHBondContact CG-OE1 3.35Å; R269-E305 IonicContact CZ-OE1 3.62Å; R269-E305 IonicContact CZ-OE2 3.49Å; R269-E305 IonicContact NE-OE1 3.28Å; R269-E305 PolarHBondContact NE-OE1 2.88Å; R269-E305 IonicContact NE-OE2 2.55Å; R269-E305 IonicContact NH2-OE1 3.66Å; R269-E305 PolarHBondContact NH2-OE1 3.43Å; R269-E305 IonicContact NH2-OE2 3.41Å; R269-E305 PolarHBondContact NH2-OE2 2.94Å
270	R	85.8	Confident	77.2	Confident	137 Å²	137	73.1 Å²	73.1	52%	0.517	42%	0.421	S	S	.	.	H	α-helix	trans	-65.4	-41.3	175.7	-71.2	179.6	-162.9	151.2	3.6	112.2	I266 Q267 A273 S274	I266-R270 WeakPolarHBondContact O-CG 3.4Å; I266-R270 PolarHBondContact O-N 3.29Å; Q267-R270 WeakPolarHBondContact O-CB 3.48Å; Q267-R270 PolarHBondContact O-N 3.06Å; Q267-R270 VanDerWaalsContact O-N 3.08Å; R270-A273 PolarHBondContact O-N 2.98Å; R270-S274 PolarHBondContact O-N 2.89Å
271	E	86.6	Confident	74.7	Confident	66 Å²	66	78.9 Å²	78.9	31%	0.308	45%	0.452	S	S	.	.	H	α-helix	trans	-59.2	-48.7	176.8	-73.4	177.3	-162.4	0	0	110.5	Q267 L268 A273 S274 V275	Q267-E271 WeakPolarHBondContact CG-OE1 3.47Å; Q267-E271 PolarHBondContact NE2-OE1 3.36Å; Q267-E271 WeakPolarHBondContact O-CG 3.24Å; Q267-E271 PolarHBondContact O-N 3.27Å; L268-E271 PolarHBondContact O-N 2.93Å; E271-A273 PolarHBondContact O-N 3.23Å; E271-S274 PolarHBondContact O-N 3.15Å; E271-S274 PolarHBondContact O-OG 3.14Å; E271-V275 WeakPolarHBondContact O-CG2 3.42Å; E271-V275 PolarHBondContact O-N 3.5Å
272	L	85.1	Confident	72.4	Confident	30 Å²	30	84.2 Å²	84.2	16%	0.157	48%	0.478	C	S	.	.	H	α-helix	trans	-61.1	-45	175.6	-67.7	172.7	0	0	0	111.9	L268 R269 S274 V275 N276 N308 M309 R312	L268-L272 HydrophobicContact CG-CD1 4.46Å; L268-L272 WeakPolarHBondContact O-CG 3.42Å; L268-L272 PolarHBondContact O-N 3.14Å; R269-L272 PolarHBondContact O-N 3.13Å; L272-S274 VanDerWaalsContact C-N 3.28Å; L272-S274 PolarHBondContact O-N 3.03Å; L272-V275 PolarHBondContact O-N 2.9Å; L272-V275 VanDerWaalsContact O-N 3.15Å; L272-N276 PolarHBondContact O-N 3.15Å; L272-N276 PolarHBondContact O-OD1 3Å; L272-N308 HydrophobicContact CD1-CB 4.25Å; L272-M309 HydrophobicContact CD1-CB 4.34Å; L272-M309 HydrophobicContact CD1-CG 3.52Å; L272-R312 HydrophobicContact CD2-CB 4.29Å; L272-R312 HydrophobicContact CD2-CG 4.46Å
273	A	80.5	Confident	70.3	Confident	43 Å²	43	84.6 Å²	84.6	36%	0.355	48%	0.481	S	S	.	.	H	α-helix	trans	-59.2	-38.4	177.1	0	0	0	0	0	112.6	R269 R270 E271 N276 G277	R269-A273 WeakPolarHBondContact O-CB 3.46Å; R269-A273 PolarHBondContact O-N 2.85Å; R270-A273 PolarHBondContact O-N 2.98Å; E271-A273 PolarHBondContact O-N 3.23Å; A273-N276 PolarHBondContact O-N 3.46Å; A273-G277 PolarHBondContact O-N 3.41Å
274	S	79.4	Confident	67.9	Low	63 Å²	63	83 Å²	83	44%	0.441	49%	0.485	S	S	.	.	H	α-helix	trans	-65.6	-37.7	177	78	0	0	0	0	112.6	R270 E271 L272 G277 H278	R270-S274 PolarHBondContact O-N 2.89Å; E271-S274 PolarHBondContact O-N 3.15Å; E271-S274 PolarHBondContact O-OG 3.14Å; L272-S274 VanDerWaalsContact C-N 3.28Å; L272-S274 PolarHBondContact O-N 3.03Å; S274-G277 PolarHBondContact O-N 2.94Å; S274-H278 PolarHBondContact O-ND1 3.37Å
275	V	75.2	Confident	65.8	Low	97 Å²	97	85.4 Å²	85.4	59%	0.588	51%	0.508	S	S	*	.	H	α-helix	trans	-69.4	-40.2	177.1	175.8	0	0	0	0	110.7	E271 L272 G277 H278	E271-V275 WeakPolarHBondContact O-CG2 3.42Å; E271-V275 PolarHBondContact O-N 3.5Å; L272-V275 PolarHBondContact O-N 2.9Å; L272-V275 VanDerWaalsContact O-N 3.15Å; V275-G277 VanDerWaalsContact C-N 3.34Å; V275-G277 PolarHBondContact O-N 3.31Å; V275-H278 PolarHBondContact O-N 3.34Å
276	N	65.9	Low	63.8	Low	99 Å²	99	87.1 Å²	87.1	53%	0.529	53%	0.534	S	S	.	.	H	α-helix	trans	-67.8	-31.7	176.1	-74.2	72	0	0	0	112.8	L272 A273 H278 S279	L272-N276 PolarHBondContact O-N 3.15Å; L272-N276 PolarHBondContact O-OD1 3Å; A273-N276 PolarHBondContact O-N 3.46Å; N276-H278 VanDerWaalsContact C-N 3.29Å; N276-H278 PolarHBondContact O-N 2.82Å; N276-S279 PolarHBondContact O-N 3.47Å
277	G	58.3	Low	61.4	Low	59 Å²	59	91.9 Å²	91.9	61%	0.608	56%	0.56	S	S	*	*	H	α-helix	trans	-69.9	-17.2	177	0	0	0	0	0	115.3	A273 S274 V275 S279	A273-G277 PolarHBondContact O-N 3.41Å; S274-G277 PolarHBondContact O-N 2.94Å; V275-G277 VanDerWaalsContact C-N 3.34Å; V275-G277 PolarHBondContact O-N 3.31Å; G277-S279 VanDerWaalsContact C-N 3.32Å
278	H	46.6	Very low	59.2	Low	170 Å²	170	94.3 Å²	94.3	79%	0.787	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	3.2	175.5	-72.2	79.4	0	0	0	113.5	S274 V275 N276	S274-H278 PolarHBondContact O-ND1 3.37Å; V275-H278 PolarHBondContact O-N 3.34Å; N276-H278 VanDerWaalsContact C-N 3.29Å; N276-H278 PolarHBondContact O-N 2.82Å
279	S	42.6	Very low	57.1	Low	105 Å²	105	101.5 Å²	101.5	73%	0.734	61%	0.614	S	S	*	*	S	Bend	trans	-104.2	37.9	-176.4	-55.3	0	0	0	0	113.7	N276 G277	N276-S279 PolarHBondContact O-N 3.47Å; G277-S279 VanDerWaalsContact C-N 3.32Å
280	G	40.5	Very low	55.1	Low	64 Å²	64	104.8 Å²	104.8	66%	0.66	64%	0.639	S	S	*	*			trans	153.3	83.6	170.9	0	0	0	0	0	113.8
281	D	38.2	Very low	53.5	Low	147 Å²	147	101.7 Å²	101.7	79%	0.786	64%	0.639	S	S	*	*			trans	-87.5	103.6	162	-170.8	26.9	0	0	0	109
282	D	39.4	Very low	51.7	Low	175 Å²	175	99.1 Å²	99.1	94%	0.936	63%	0.63	S	S	*	*			trans	-154.7	51.6	152.2	-110.1	-14.6	0	0	0	107.5
283	G	41	Very low	50.2	Low	48 Å²	48	102.9 Å²	102.9	50%	0.495	65%	0.649	S	S	.	*	S	Bend	trans	-127.5	136.4	177.8	0	0	0	0	0	111.4
284	P	36.9	Very low	49.1	Very low	123 Å²	123	107.5 Å²	107.5	80%	0.799	66%	0.663	S	S	*	*			trans	-68.2	152	-169	26.4	-30.7	0	0	0	112.9	G286	P284-G286 PolarHBondContact O-N 3.15Å
285	P	44.4	Very low	48.2	Very low	139 Å²	139	110.9 Å²	110.9	90%	0.903	68%	0.676	S	S	*	*	S	Bend	trans	-75.6	112	-170.4	29.4	-32.3	0	0	0	110.8
286	G	45.3	Very low	47.8	Very low	65 Å²	65	109 Å²	109	67%	0.67	66%	0.662	S	S	*	*			trans	133.3	71.8	172.3	0	0	0	0	0	112.3	P284	P284-G286 PolarHBondContact O-N 3.15Å
287	D	36.4	Very low	48	Very low	160 Å²	160	110.9 Å²	110.9	86%	0.856	68%	0.678	S	S	*	*	S	Bend	trans	-157.4	141.5	145.3	-102.1	-22.5	0	0	0	107.6
288	D	41.4	Very low	49.1	Very low	151 Å²	151	111.2 Å²	111.2	81%	0.807	67%	0.665	S	S	*	*			trans	-47.7	136.2	-169.5	-66.7	-57.2	0	0	0	113
289	L	42.4	Very low	50.7	Low	160 Å²	160	107.6 Å²	107.6	84%	0.838	66%	0.657	S	S	*	*			trans	-42.1	126.8	161.9	-81.4	145.6	0	0	0	108.1	S291	L289-S291 PolarHBondContact O-N 3.41Å
290	P	45.9	Very low	52.7	Low	100 Å²	100	105.4 Å²	105.4	65%	0.649	65%	0.645	S	S	*	*			trans	-55.5	108.1	175.7	-21.2	30.3	0	0	0	107.5	G292	P290-G292 PolarHBondContact O-N 3.32Å
291	S	50.3	Low	54.8	Low	72 Å²	72	108.7 Å²	108.7	50%	0.503	64%	0.641	S	S	.	*			trans	-58.9	120.4	173	-130.4	0	0	0	0	104.3	L289 I293 E294	L289-S291 PolarHBondContact O-N 3.41Å; S291-I293 PolarHBondContact O-N 2.86Å; S291-E294 PolarHBondContact O-N 3.42Å; S291-E294 VanDerWaalsContact O-N 3.14Å
292	G	50.7	Low	57	Low	12 Å²	12	104.8 Å²	104.8	12%	0.124	62%	0.62	C	S	.	*	T	Hydrogen-bonded Turn	trans	-64.4	33.5	178.2	0	0	0	0	0	113.8	R269 P290	R269-G292 WeakPolarHBondContact CD-O 3.28Å; P290-G292 PolarHBondContact O-N 3.32Å
293	I	52.9	Low	59.2	Low	109 Å²	109	102 Å²	102	56%	0.559	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	-13.8	-175.5	-53.7	174.5	0	0	0	109.4	S291 D295	S291-I293 PolarHBondContact O-N 2.86Å; I293-D295 PolarHBondContact O-N 3.26Å
294	E	57.2	Low	61.4	Low	139 Å²	139	103.5 Å²	103.5	65%	0.65	60%	0.604	S	S	*	*	S	Bend	trans	-67.8	122.8	174.6	-67.7	-173.3	177.4	0	0	110.9	S291 I296	S291-E294 PolarHBondContact O-N 3.42Å; S291-E294 VanDerWaalsContact O-N 3.14Å; E294-I296 PolarHBondContact O-N 3.15Å
295	D	60.8	Low	63.8	Low	134 Å²	134	99 Å²	99	72%	0.717	57%	0.572	S	S	*	*			trans	-66.4	115.1	173.9	-82.9	-32.7	0	0	0	109.4	I293 T297	I293-D295 PolarHBondContact O-N 3.26Å; D295-T297 PolarHBondContact O-N 3.39Å
296	I	66.4	Low	65.9	Low	59 Å²	59	94.1 Å²	94.1	30%	0.303	54%	0.538	S	S	.	.			trans	-65.9	107	175.4	-57.8	-178.7	0	0	0	108.5	E294 D298 K301 L302 E305	E294-I296 PolarHBondContact O-N 3.15Å; I296-D298 VanDerWaalsContact C-N 3.34Å; I296-D298 HydrophobicContact CG2-CB 4.45Å; I296-K301 HydrophobicContact CG2-CB 3.56Å; I296-L302 HydrophobicContact CG2-CB 4.35Å; I296-E305 HydrophobicContact CD1-CB 4.07Å; I296-E305 VanDerWaalsContact CD1-CD 3.48Å; I296-E305 HydrophobicContact CD1-CG 4.28Å; I296-E305 WeakPolarHBondContact CD1-OE2 3.13Å
297	T	69.6	Low	68.1	Low	138 Å²	138	95.7 Å²	95.7	85%	0.847	53%	0.528	S	S	*	.			trans	-79.6	-15.9	-179.6	58.5	0	0	0	0	113.6	D295 P299	D295-T297 PolarHBondContact O-N 3.39Å; T297-P299 WeakPolarHBondContact O-CD 3.41Å
298	D	81.2	Confident	70.7	Confident	66 Å²	66	91.2 Å²	91.2	35%	0.353	50%	0.504	S	S	.	.			trans	-84.6	115.6	179.2	179.9	-8.5	0	0	0	110.8	I296 A300 K301 L302	I296-D298 VanDerWaalsContact C-N 3.34Å; I296-D298 HydrophobicContact CG2-CB 4.45Å; D298-A300 VanDerWaalsContact C-N 3.26Å; D298-A300 PolarHBondContact O-N 3.16Å; D298-A300 PolarHBondContact OD1-N 3.1Å; D298-K301 HydrophobicContact CB-CB 4.1Å; D298-K301 HydrophobicContact CB-CD 4.08Å; D298-K301 HydrophobicContact CB-CG 4.14Å; D298-K301 PolarHBondContact O-N 3.26Å; D298-K301 WeakPolarHBondContact OD2-CG 3.46Å; D298-L302 PolarHBondContact O-N 3.41Å
299	P	81.8	Confident	73.1	Confident	93 Å²	93	84 Å²	84	60%	0.604	47%	0.466	S	S	*	.	H	α-helix	trans	-57.6	-34.4	-178.8	-24.4	34.1	0	0	0	114.1	T297 I303	T297-P299 WeakPolarHBondContact O-CD 3.41Å; P299-I303 WeakPolarHBondContact O-CD1 3.44Å; P299-I303 VanDerWaalsContact O-CG1 3.28Å; P299-I303 WeakPolarHBondContact O-CG1 3.2Å; P299-I303 PolarHBondContact O-N 3.22Å; P299-I303 VanDerWaalsContact O-N 3.09Å
300	A	84.4	Confident	75.5	Confident	60 Å²	60	78.5 Å²	78.5	50%	0.496	43%	0.433	S	S	.	.	H	α-helix	trans	-71.3	-42.9	-178.7	0	0	0	0	0	111.2	D298 L302 I303 T304	D298-A300 VanDerWaalsContact C-N 3.26Å; D298-A300 PolarHBondContact O-N 3.16Å; D298-A300 PolarHBondContact OD1-N 3.1Å; A300-L302 VanDerWaalsContact C-N 3.34Å; A300-I303 PolarHBondContact O-N 3.14Å; A300-T304 PolarHBondContact O-N 2.99Å; A300-T304 VanDerWaalsContact O-N 3.08Å; A300-T304 PolarHBondContact O-OG1 3.32Å; A300-T304 VanDerWaalsContact O-OG1 3.11Å
301	K	83.4	Confident	77.8	Confident	133 Å²	133	79.9 Å²	79.9	58%	0.578	43%	0.431	S	S	*	.	H	α-helix	trans	-66.2	-37.2	175.7	-69.7	-177.8	-176.1	-176.9	0	112	I296 D298 T304 E305	I296-K301 HydrophobicContact CG2-CB 3.56Å; D298-K301 HydrophobicContact CB-CB 4.1Å; D298-K301 HydrophobicContact CB-CD 4.08Å; D298-K301 HydrophobicContact CB-CG 4.14Å; D298-K301 PolarHBondContact O-N 3.26Å; D298-K301 WeakPolarHBondContact OD2-CG 3.46Å; K301-T304 PolarHBondContact O-N 3.42Å; K301-E305 WeakPolarHBondContact O-CB 3.08Å; K301-E305 PolarHBondContact O-N 3.43Å
302	L	84.1	Confident	79.8	Confident	65 Å²	65	80.5 Å²	80.5	34%	0.34	42%	0.422	S	S	.	.	H	α-helix	trans	-62.9	-42.5	175.1	-178.9	63.3	0	0	0	111.6	I296 D298 A300 E305 I306	I296-L302 HydrophobicContact CG2-CB 4.35Å; D298-L302 PolarHBondContact O-N 3.41Å; A300-L302 VanDerWaalsContact C-N 3.34Å; L302-E305 PolarHBondContact O-N 3.28Å; L302-I306 HydrophobicContact CD1-CD1 4.2Å; L302-I306 HydrophobicContact CD1-CG1 4.43Å; L302-I306 HydrophobicContact CG-CD1 3.98Å; L302-I306 WeakPolarHBondContact O-CB 3.49Å; L302-I306 VanDerWaalsContact O-CG1 3.28Å; L302-I306 WeakPolarHBondContact O-CG1 3.33Å; L302-I306 PolarHBondContact O-N 3.41Å
303	I	86.5	Confident	81.8	Confident	116 Å²	116	80.5 Å²	80.5	60%	0.595	42%	0.419	S	S	*	.	H	α-helix	trans	-62.3	-44.5	175.4	-69.6	164.6	0	0	0	110.9	P299 A300 I306 E307	P299-I303 WeakPolarHBondContact O-CD1 3.44Å; P299-I303 VanDerWaalsContact O-CG1 3.28Å; P299-I303 WeakPolarHBondContact O-CG1 3.2Å; P299-I303 PolarHBondContact O-N 3.22Å; P299-I303 VanDerWaalsContact O-N 3.09Å; A300-I303 PolarHBondContact O-N 3.14Å; I303-I306 PolarHBondContact O-N 3.29Å; I303-E307 PolarHBondContact O-N 2.95Å
304	T	88.1	Confident	83.9	Confident	80 Å²	80	76.7 Å²	76.7	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-62.9	-41.6	177	-53.7	0	0	0	0	111.9	A300 K301 E307 N308	A300-T304 PolarHBondContact O-N 2.99Å; A300-T304 VanDerWaalsContact O-N 3.08Å; A300-T304 PolarHBondContact O-OG1 3.32Å; A300-T304 VanDerWaalsContact O-OG1 3.11Å; K301-T304 PolarHBondContact O-N 3.42Å; T304-E307 PolarHBondContact O-N 3.41Å; T304-N308 WeakPolarHBondContact O-CB 3.49Å; T304-N308 PolarHBondContact O-N 3.07Å; T304-N308 PolarHBondContact O-ND2 3.32Å; T304-N308 PolarHBondContact O-OD1 3.03Å
305	E	86.7	Confident	85.7	Confident	27 Å²	27	74.7 Å²	74.7	13%	0.126	39%	0.39	C	S	.	.	H	α-helix	trans	-61.4	-48.9	175.6	-175.3	-173.5	-139.3	0	0	111.4	R269 I296 K301 L302 E307 N308 M309	R269-E305 WeakPolarHBondContact CD-OE1 3.26Å; R269-E305 WeakPolarHBondContact CG-OE1 3.35Å; R269-E305 IonicContact CZ-OE1 3.62Å; R269-E305 IonicContact CZ-OE2 3.49Å; R269-E305 IonicContact NE-OE1 3.28Å; R269-E305 PolarHBondContact NE-OE1 2.88Å; R269-E305 IonicContact NE-OE2 2.55Å; R269-E305 IonicContact NH2-OE1 3.66Å; R269-E305 PolarHBondContact NH2-OE1 3.43Å; R269-E305 IonicContact NH2-OE2 3.41Å; R269-E305 PolarHBondContact NH2-OE2 2.94Å; I296-E305 HydrophobicContact CD1-CB 4.07Å; I296-E305 VanDerWaalsContact CD1-CD 3.48Å; I296-E305 HydrophobicContact CD1-CG 4.28Å; I296-E305 WeakPolarHBondContact CD1-OE2 3.13Å; K301-E305 WeakPolarHBondContact O-CB 3.08Å; K301-E305 PolarHBondContact O-N 3.43Å; L302-E305 PolarHBondContact O-N 3.28Å; E305-E307 VanDerWaalsContact C-N 3.28Å; E305-E307 PolarHBondContact O-N 3.43Å; E305-N308 PolarHBondContact O-N 3.08Å; E305-M309 HydrophobicContact CG-CG 4.45Å; E305-M309 HydrophobicContact CG-SD 4.29Å; E305-M309 VanDerWaalsContact O-CG 3.31Å; E305-M309 WeakPolarHBondContact O-CG 3.15Å; E305-M309 PolarHBondContact O-N 2.81Å
306	I	88.7	Confident	87.1	Confident	37 Å²	37	71.8 Å²	71.8	19%	0.19	37%	0.374	C	S	.	.	H	α-helix	trans	-56.7	-44.1	178	-72.9	167.6	0	0	0	110.8	L255 P256 L302 I303 M309 R310	L255-I306 HydrophobicContact CD2-CD1 4.41Å; P256-I306 HydrophobicContact CG-CG2 4.18Å; L302-I306 HydrophobicContact CD1-CD1 4.2Å; L302-I306 HydrophobicContact CD1-CG1 4.43Å; L302-I306 HydrophobicContact CG-CD1 3.98Å; L302-I306 WeakPolarHBondContact O-CB 3.49Å; L302-I306 VanDerWaalsContact O-CG1 3.28Å; L302-I306 WeakPolarHBondContact O-CG1 3.33Å; L302-I306 PolarHBondContact O-N 3.41Å; I303-I306 PolarHBondContact O-N 3.29Å; I306-M309 PolarHBondContact O-N 3.18Å; I306-R310 WeakPolarHBondContact O-CG 3.37Å; I306-R310 PolarHBondContact O-N 3.31Å
307	E	90.9	Very high	88.6	Confident	99 Å²	99	70 Å²	70	46%	0.463	37%	0.365	S	S	.	.	H	α-helix	trans	-69.5	-38	-179.8	-161.6	60.1	-159.6	0	0	112.2	I303 T304 E305 M309 R310 H311	I303-E307 PolarHBondContact O-N 2.95Å; T304-E307 PolarHBondContact O-N 3.41Å; E305-E307 VanDerWaalsContact C-N 3.28Å; E305-E307 PolarHBondContact O-N 3.43Å; E307-M309 VanDerWaalsContact C-N 3.35Å; E307-R310 PolarHBondContact O-N 2.85Å; E307-R310 IonicContact OE2-NH1 2.74Å; E307-R310 PolarHBondContact OE2-NH1 3.1Å; E307-H311 WeakPolarHBondContact O-CB 3.19Å; E307-H311 PolarHBondContact O-N 3.29Å
308	N	91.1	Very high	89.9	Confident	65 Å²	65	66.1 Å²	66.1	35%	0.348	34%	0.337	S	S	.	.	H	α-helix	trans	-63.2	-40.7	172.6	-70.1	-14.2	0	0	0	111.7	L272 T304 E305 H311 R312	L272-N308 HydrophobicContact CD1-CB 4.25Å; T304-N308 WeakPolarHBondContact O-CB 3.49Å; T304-N308 PolarHBondContact O-N 3.07Å; T304-N308 PolarHBondContact O-ND2 3.32Å; T304-N308 PolarHBondContact O-OD1 3.03Å; E305-N308 PolarHBondContact O-N 3.08Å; N308-H311 PolarHBondContact O-N 3.26Å; N308-R312 WeakPolarHBondContact O-CB 3.48Å; N308-R312 PolarHBondContact O-N 3Å
309	M	91.3	Very high	90.5	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-63	-45.5	175	-70.1	-177.7	89.9	0	0	111.4	P256 F265 L268 L272 E305 I306 E307 H311 R312 I313	P256-M309 HydrophobicContact CB-CB 4.24Å; P256-M309 HydrophobicContact CB-SD 4.43Å; P256-M309 HydrophobicContact CG-CB 4.09Å; F265-M309 HydrophobicContact CD1-CE 4.43Å; F265-M309 HydrophobicContact CD2-CE 3.43Å; F265-M309 VanDerWaalsContact CD2-CE 3.43Å; F265-M309 HydrophobicContact CD2-SD 4.42Å; F265-M309 HydrophobicContact CE1-CE 4.32Å; F265-M309 HydrophobicContact CE2-CE 3.31Å; F265-M309 HydrophobicContact CE2-SD 3.7Å; F265-M309 HydrophobicContact CG-CE 4.01Å; F265-M309 HydrophobicContact CZ-CE 3.78Å; F265-M309 HydrophobicContact CZ-SD 3.91Å; L268-M309 HydrophobicContact CB-CE 4.13Å; L268-M309 HydrophobicContact CD2-CB 4.1Å; L268-M309 HydrophobicContact CD2-CE 3.72Å; L268-M309 HydrophobicContact CD2-CG 4.23Å; L268-M309 HydrophobicContact CG-CE 3.95Å; L268-M309 HydrophobicContact CG-CG 4.42Å; L272-M309 HydrophobicContact CD1-CB 4.34Å; L272-M309 HydrophobicContact CD1-CG 3.52Å; E305-M309 HydrophobicContact CG-CG 4.45Å; E305-M309 HydrophobicContact CG-SD 4.29Å; E305-M309 VanDerWaalsContact O-CG 3.31Å; E305-M309 WeakPolarHBondContact O-CG 3.15Å; E305-M309 PolarHBondContact O-N 2.81Å; I306-M309 PolarHBondContact O-N 3.18Å; E307-M309 VanDerWaalsContact C-N 3.35Å; M309-H311 PolarHBondContact O-N 3.38Å; M309-R312 PolarHBondContact O-N 2.64Å; M309-I313 VanDerWaalsContact O-CG1 3.26Å; M309-I313 WeakPolarHBondContact O-CG1 3.34Å; M309-I313 PolarHBondContact O-N 2.65Å
310	R	94	Very high	91.1	Very high	43 Å²	43	68.1 Å²	68.1	16%	0.162	34%	0.337	C	S	.	.	H	α-helix	trans	-58.6	-46.8	175	-74.3	172.5	168.3	174	-5.6	111.8	V251 Q252 N254 P256 I306 E307 R312 I313 I314	V251-R310 HydrophobicContact CG1-CB 3.95Å; V251-R310 HydrophobicContact CG1-CG 3.88Å; V251-R310 PolarHBondContact O-NE 3.07Å; Q252-R310 PolarHBondContact O-NH1 2.7Å; Q252-R310 PolarHBondContact O-NH2 3.36Å; N254-R310 PolarHBondContact O-NE 3.07Å; N254-R310 PolarHBondContact O-NH2 3.23Å; P256-R310 HydrophobicContact CG-CG 3.99Å; I306-R310 WeakPolarHBondContact O-CG 3.37Å; I306-R310 PolarHBondContact O-N 3.31Å; E307-R310 PolarHBondContact O-N 2.85Å; E307-R310 IonicContact OE2-NH1 2.74Å; E307-R310 PolarHBondContact OE2-NH1 3.1Å; R310-R312 VanDerWaalsContact C-N 3.33Å; R310-R312 PolarHBondContact O-N 3.43Å; R310-I313 PolarHBondContact O-N 3.44Å; R310-I314 WeakPolarHBondContact O-CG1 3.38Å; R310-I314 PolarHBondContact O-N 2.77Å
311	H	93.8	Very high	91.8	Very high	129 Å²	129	66.1 Å²	66.1	60%	0.597	32%	0.317	S	S	*	.	H	α-helix	trans	-59.4	-46.1	178.1	-172	69.3	0	0	0	111.4	E307 N308 M309 I314 E315	E307-H311 WeakPolarHBondContact O-CB 3.19Å; E307-H311 PolarHBondContact O-N 3.29Å; N308-H311 PolarHBondContact O-N 3.26Å; M309-H311 PolarHBondContact O-N 3.38Å; H311-I314 PolarHBondContact O-N 3.19Å; H311-E315 WeakPolarHBondContact O-CB 3.23Å; H311-E315 PolarHBondContact O-N 3.05Å
312	R	92.5	Very high	92.5	Very high	85 Å²	85	63.4 Å²	63.4	32%	0.321	31%	0.309	S	S	.	.	H	α-helix	trans	-65.9	-40.6	179.9	-176.1	56.7	177.8	163.1	5.7	112.9	L268 L272 N308 M309 R310 I314 E315 I316	L268-R312 HydrophobicContact CD1-CB 4.03Å; L268-R312 HydrophobicContact CD1-CG 3.42Å; L268-R312 VanDerWaalsContact CD1-CG 3.42Å; L272-R312 HydrophobicContact CD2-CB 4.29Å; L272-R312 HydrophobicContact CD2-CG 4.46Å; N308-R312 WeakPolarHBondContact O-CB 3.48Å; N308-R312 PolarHBondContact O-N 3Å; M309-R312 PolarHBondContact O-N 2.64Å; R310-R312 VanDerWaalsContact C-N 3.33Å; R310-R312 PolarHBondContact O-N 3.43Å; R312-I314 VanDerWaalsContact C-N 3.35Å; R312-E315 WeakPolarHBondContact CD-OE2 3.4Å; R312-E315 IonicContact CZ-OE2 2.68Å; R312-E315 IonicContact NE-OE2 2.67Å; R312-E315 IonicContact NH1-OE2 2.67Å; R312-E315 PolarHBondContact NH1-OE2 3.49Å; R312-E315 PolarHBondContact O-N 3.01Å; R312-I316 HydrophobicContact CG-CD1 4.31Å; R312-I316 WeakPolarHBondContact O-CG1 3.46Å; R312-I316 PolarHBondContact O-N 3Å
313	I	93.3	Very high	93.1	Very high	12 Å²	12	67.6 Å²	67.6	6%	0.062	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-47.6	173.7	-69.7	165.7	0	0	0	110	F247 V251 P256 L260 L268 M309 R310 E315 I316 H317	F247-I313 HydrophobicContact CE1-CG2 4.35Å; F247-I313 HydrophobicContact CZ-CG2 3.75Å; V251-I313 HydrophobicContact CG1-CG2 4.33Å; V251-I313 HydrophobicContact CG2-CG2 3.95Å; P256-I313 HydrophobicContact CB-CD1 4.36Å; L260-I313 HydrophobicContact CD1-CD1 4Å; L260-I313 HydrophobicContact CG-CD1 4.42Å; L268-I313 HydrophobicContact CD2-CD1 3.96Å; L268-I313 HydrophobicContact CD2-CG1 3.72Å; M309-I313 VanDerWaalsContact O-CG1 3.26Å; M309-I313 WeakPolarHBondContact O-CG1 3.34Å; M309-I313 PolarHBondContact O-N 2.65Å; R310-I313 PolarHBondContact O-N 3.44Å; I313-E315 VanDerWaalsContact C-N 3.32Å; I313-E315 PolarHBondContact O-N 3.48Å; I313-I316 PolarHBondContact O-N 2.88Å; I313-H317 PolarHBondContact O-N 3.32Å; I313-H317 PolarHBondContact O-ND1 3.3Å
314	I	95.6	Very high	93.6	Very high	29 Å²	29	62.2 Å²	62.2	15%	0.149	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-39.8	178.5	-69	169.4	0	0	0	111.2	K248 V251 R310 H311 R312 H317 Q318	K248-I314 HydrophobicContact CD-CG2 4.46Å; K248-I314 HydrophobicContact CG-CD1 4.49Å; K248-I314 HydrophobicContact CG-CG1 4.45Å; K248-I314 HydrophobicContact CG-CG2 4.19Å; V251-I314 HydrophobicContact CB-CD1 4.5Å; V251-I314 HydrophobicContact CB-CG1 4.34Å; V251-I314 HydrophobicContact CG1-CD1 4.2Å; V251-I314 HydrophobicContact CG1-CG1 4.07Å; R310-I314 WeakPolarHBondContact O-CG1 3.38Å; R310-I314 PolarHBondContact O-N 2.77Å; H311-I314 PolarHBondContact O-N 3.19Å; R312-I314 VanDerWaalsContact C-N 3.35Å; I314-H317 PolarHBondContact O-N 3.36Å; I314-Q318 WeakPolarHBondContact O-CB 3.18Å; I314-Q318 PolarHBondContact O-N 2.96Å
315	E	94.6	Very high	94.1	Very high	97 Å²	97	62.2 Å²	62.2	45%	0.453	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-46.4	178.2	-173.6	-176	-151.3	0	0	112	H311 R312 I313 H317 Q318 E319	H311-E315 WeakPolarHBondContact O-CB 3.23Å; H311-E315 PolarHBondContact O-N 3.05Å; R312-E315 WeakPolarHBondContact CD-OE2 3.4Å; R312-E315 IonicContact CZ-OE2 2.68Å; R312-E315 IonicContact NE-OE2 2.67Å; R312-E315 IonicContact NH1-OE2 2.67Å; R312-E315 PolarHBondContact NH1-OE2 3.49Å; R312-E315 PolarHBondContact O-N 3.01Å; I313-E315 VanDerWaalsContact C-N 3.32Å; I313-E315 PolarHBondContact O-N 3.48Å; E315-H317 VanDerWaalsContact C-N 3.32Å; E315-H317 PolarHBondContact O-N 2.92Å; E315-Q318 WeakPolarHBondContact O-CB 3.35Å; E315-Q318 PolarHBondContact O-N 3.4Å; E315-E319 PolarHBondContact O-N 2.92Å
316	I	91.9	Very high	94.6	Very high	74 Å²	74	66.1 Å²	66.1	38%	0.379	31%	0.306	S	S	.	.	H	α-helix	trans	-57.7	-46.4	176.7	-69	165.3	0	0	0	110.6	R312 I313 Q318 E319 M320	R312-I316 HydrophobicContact CG-CD1 4.31Å; R312-I316 WeakPolarHBondContact O-CG1 3.46Å; R312-I316 PolarHBondContact O-N 3Å; I313-I316 PolarHBondContact O-N 2.88Å; I316-Q318 VanDerWaalsContact C-N 3.33Å; I316-Q318 PolarHBondContact O-N 3.19Å; I316-E319 PolarHBondContact O-N 3.12Å; I316-M320 PolarHBondContact O-N 2.84Å
317	H	96.3	Very high	95.1	Very high	21 Å²	21	65.7 Å²	65.7	10%	0.097	30%	0.303	C	S	.	.	H	α-helix	trans	-75.4	-23.1	-178.6	-67.8	76.7	0	0	0	113.1	D230 L233 F244 F247 I313 I314 E315 E319 M320 F321	D230-H317 IonicContact OD1-CD2 3.98Å; D230-H317 IonicContact OD1-CE1 3.95Å; D230-H317 IonicContact OD1-NE2 2.61Å; D230-H317 PolarHBondContact OD1-NE2 2.97Å; L233-H317 HydrophobicContact CD1-CB 4.35Å; F244-H317 HydrophobicContact CE2-CB 4Å; F247-H317 HydrophobicContact CD1-CB 4.09Å; F247-H317 HydrophobicContact CE1-CB 3.46Å; F247-H317 VanDerWaalsContact CE1-CB 3.46Å; F247-H317 AromaticContact CE1-CD2 3.87Å; F247-H317 AromaticContact CE1-CG 3.36Å; F247-H317 AromaticContact CE1-ND1 3.71Å; F247-H317 HydrophobicContact CZ-CB 4.02Å; F247-H317 AromaticContact CZ-CD2 3.53Å; F247-H317 AromaticContact CZ-CE1 3.61Å; F247-H317 AromaticContact CZ-CG 3.36Å; F247-H317 AromaticContact CZ-ND1 3.4Å; F247-H317 WeakPolarHBondContact CZ-ND1 3.39Å; F247-H317 AromaticContact CZ-NE2 3.7Å; I313-H317 PolarHBondContact O-N 3.32Å; I313-H317 PolarHBondContact O-ND1 3.3Å; I314-H317 PolarHBondContact O-N 3.36Å; E315-H317 VanDerWaalsContact C-N 3.32Å; E315-H317 PolarHBondContact O-N 2.92Å; H317-E319 VanDerWaalsContact C-N 3.32Å; H317-M320 HydrophobicContact CB-CE 4.49Å; H317-M320 WeakPolarHBondContact CD2-CE 3.34Å; H317-M320 PolarHBondContact O-N 3.48Å; H317-F321 VanDerWaalsContact O-CB 3.24Å; H317-F321 WeakPolarHBondContact O-CB 3.47Å; H317-F321 PolarHBondContact O-N 2.72Å
318	Q	97.2	Very high	95.4	Very high	56 Å²	56	61 Å²	61	26%	0.262	28%	0.281	S	S	.	.	H	α-helix	trans	-64.9	-37.4	173.1	-175.3	69.5	64.9	0	0	111	F244 I314 E315 I316 F321 N322	F244-Q318 HydrophobicContact CZ-CB 3.91Å; F244-Q318 HydrophobicContact CZ-CG 4.36Å; F244-Q318 VanDerWaalsContact CZ-OE1 3.24Å; I314-Q318 WeakPolarHBondContact O-CB 3.18Å; I314-Q318 PolarHBondContact O-N 2.96Å; E315-Q318 WeakPolarHBondContact O-CB 3.35Å; E315-Q318 PolarHBondContact O-N 3.4Å; I316-Q318 VanDerWaalsContact C-N 3.33Å; I316-Q318 PolarHBondContact O-N 3.19Å; Q318-F321 PolarHBondContact O-N 3.49Å; Q318-N322 PolarHBondContact NE2-OD1 3.06Å; Q318-N322 WeakPolarHBondContact O-CB 3.36Å; Q318-N322 PolarHBondContact O-N 3.35Å; Q318-N322 PolarHBondContact O-ND2 3.22Å; Q318-N322 PolarHBondContact O-OD1 3.08Å
319	E	94.6	Very high	95.7	Very high	150 Å²	150	61.9 Å²	61.9	70%	0.701	29%	0.293	S	S	*	.	H	α-helix	trans	-64.7	-49.1	175	-173	178.9	179.7	0	0	111.4	E315 I316 H317 F321 N322 Y323	E315-E319 PolarHBondContact O-N 2.92Å; I316-E319 PolarHBondContact O-N 3.12Å; H317-E319 VanDerWaalsContact C-N 3.32Å; E319-F321 VanDerWaalsContact C-N 3.32Å; E319-F321 PolarHBondContact O-N 2.96Å; E319-N322 PolarHBondContact O-N 3.29Å; E319-Y323 PolarHBondContact O-N 2.78Å
320	M	95.2	Very high	96.1	Very high	52 Å²	52	65.7 Å²	65.7	26%	0.256	31%	0.309	S	S	.	.	H	α-helix	trans	-58.4	-44.4	175.2	178	172.5	52.6	0	0	111.7	L233 I316 H317 Y323 N324	L233-M320 HydrophobicContact CB-CE 3.44Å; L233-M320 VanDerWaalsContact CB-CE 3.44Å; L233-M320 HydrophobicContact CB-CG 4.44Å; L233-M320 HydrophobicContact CB-SD 4.11Å; L233-M320 HydrophobicContact CD1-CE 4Å; L233-M320 HydrophobicContact CG-CE 4.37Å; I316-M320 PolarHBondContact O-N 2.84Å; H317-M320 HydrophobicContact CB-CE 4.49Å; H317-M320 WeakPolarHBondContact CD2-CE 3.34Å; H317-M320 PolarHBondContact O-N 3.48Å; M320-Y323 PolarHBondContact O-N 3.26Å; M320-N324 WeakPolarHBondContact O-CB 3.38Å; M320-N324 PolarHBondContact O-N 3.01Å
321	F	97.6	Very high	96.3	Very high	17 Å²	17	63.9 Å²	63.9	8%	0.075	30%	0.302	C	S	.	.	H	α-helix	trans	-59.3	-46.3	175	168.4	-93.3	0	0	0	112	Y240 F244 H317 Q318 E319 Y323 N324 E325	Y240-F321 HydrophobicContact CD2-CD2 4.05Å; Y240-F321 AromaticContact CD2-CE2 3.36Å; Y240-F321 HydrophobicContact CD2-CE2 3.36Å; Y240-F321 HydrophobicContact CD2-CZ 4.01Å; Y240-F321 HydrophobicContact CE2-CD2 4.48Å; Y240-F321 AromaticContact CE2-CE2 3.52Å; Y240-F321 HydrophobicContact CE2-CE2 3.52Å; Y240-F321 AromaticContact CE2-CZ 3.65Å; Y240-F321 HydrophobicContact CE2-CZ 3.65Å; F244-F321 HydrophobicContact CB-CD2 3.47Å; F244-F321 VanDerWaalsContact CB-CD2 3.47Å; F244-F321 HydrophobicContact CB-CE2 3.84Å; F244-F321 HydrophobicContact CB-CG 4.2Å; F244-F321 HydrophobicContact CD1-CB 4.04Å; F244-F321 AromaticContact CD1-CD1 3.79Å; F244-F321 HydrophobicContact CD1-CD1 3.79Å; F244-F321 AromaticContact CD1-CD2 3.51Å; F244-F321 HydrophobicContact CD1-CD2 3.51Å; F244-F321 HydrophobicContact CD1-CE1 4.14Å; F244-F321 AromaticContact CD1-CE2 3.87Å; F244-F321 HydrophobicContact CD1-CE2 3.87Å; F244-F321 AromaticContact CD1-CG 3.45Å; F244-F321 HydrophobicContact CD1-CG 3.45Å; F244-F321 VanDerWaalsContact CD1-CG 3.45Å; F244-F321 HydrophobicContact CD1-CZ 4.17Å; F244-F321 HydrophobicContact CD2-CB 3.93Å; F244-F321 HydrophobicContact CD2-CD2 4.25Å; F244-F321 HydrophobicContact CD2-CG 4.18Å; F244-F321 HydrophobicContact CE1-CB 4.02Å; F244-F321 AromaticContact CE1-CD1 3.77Å; F244-F321 HydrophobicContact CE1-CD1 3.77Å; F244-F321 HydrophobicContact CE1-CD2 4.25Å; F244-F321 HydrophobicContact CE1-CE1 4.34Å; F244-F321 AromaticContact CE1-CG 3.71Å; F244-F321 HydrophobicContact CE1-CG 3.71Å; F244-F321 HydrophobicContact CE2-CB 3.97Å; F244-F321 HydrophobicContact CE2-CG 4.44Å; F244-F321 HydrophobicContact CG-CB 3.98Å; F244-F321 HydrophobicContact CG-CD1 4.48Å; F244-F321 AromaticContact CG-CD2 3.5Å; F244-F321 HydrophobicContact CG-CD2 3.5Å; F244-F321 VanDerWaalsContact CG-CD2 3.5Å; F244-F321 HydrophobicContact CG-CE2 4.12Å; F244-F321 AromaticContact CG-CG 3.7Å; F244-F321 HydrophobicContact CG-CG 3.7Å; F244-F321 HydrophobicContact CZ-CB 4.01Å; F244-F321 HydrophobicContact CZ-CD1 4.5Å; F244-F321 HydrophobicContact CZ-CG 4.23Å; H317-F321 VanDerWaalsContact O-CB 3.24Å; H317-F321 WeakPolarHBondContact O-CB 3.47Å; H317-F321 PolarHBondContact O-N 2.72Å; Q318-F321 PolarHBondContact O-N 3.49Å; E319-F321 VanDerWaalsContact C-N 3.32Å; E319-F321 PolarHBondContact O-N 2.96Å; F321-Y323 VanDerWaalsContact C-N 3.31Å; F321-Y323 PolarHBondContact O-N 3.39Å; F321-N324 PolarHBondContact O-N 3.45Å; F321-E325 HydrophobicContact CE1-CB 4.49Å; F321-E325 VanDerWaalsContact O-CB 3.32Å; F321-E325 WeakPolarHBondContact O-CB 3.12Å; F321-E325 PolarHBondContact O-N 3.38Å
322	N	98	Very high	96.5	Very high	77 Å²	77	62.5 Å²	62.5	41%	0.412	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-39.1	-179.7	-66.7	-16.3	0	0	0	111.5	Q318 E319 H326	Q318-N322 PolarHBondContact NE2-OD1 3.06Å; Q318-N322 WeakPolarHBondContact O-CB 3.36Å; Q318-N322 PolarHBondContact O-N 3.35Å; Q318-N322 PolarHBondContact O-ND2 3.22Å; Q318-N322 PolarHBondContact O-OD1 3.08Å; E319-N322 PolarHBondContact O-N 3.29Å; N322-H326 PolarHBondContact O-N 2.88Å
323	Y	97.3	Very high	96.7	Very high	153 Å²	153	62.9 Å²	62.9	60%	0.6	30%	0.303	S	S	*	.	H	α-helix	trans	-63.1	-49	174.1	176.4	-95.7	0	0	0	111.2	E319 M320 F321 E325 H326 E327	E319-Y323 PolarHBondContact O-N 2.78Å; M320-Y323 PolarHBondContact O-N 3.26Å; F321-Y323 VanDerWaalsContact C-N 3.31Å; F321-Y323 PolarHBondContact O-N 3.39Å; Y323-E325 VanDerWaalsContact C-N 3.35Å; Y323-E325 PolarHBondContact O-N 2.94Å; Y323-H326 WeakPolarHBondContact O-CB 3.36Å; Y323-H326 PolarHBondContact O-N 3.03Å; Y323-H326 VanDerWaalsContact O-N 3.17Å; Y323-E327 HydrophobicContact CD1-CG 4.4Å; Y323-E327 HydrophobicContact CE1-CG 3.89Å; Y323-E327 PolarHBondContact O-N 3.47Å; Y323-E327 VanDerWaalsContact O-N 3.08Å
324	N	97.6	Very high	97	Very high	3 Å²	3	64 Å²	64	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-39.1	178.5	-171.3	21.3	0	0	0	112	L233 I235 P236 M320 F321 H326 E327 V328	L233-N324 VanDerWaalsContact O-CB 3.28Å; L233-N324 WeakPolarHBondContact O-CB 3.4Å; L233-N324 PolarHBondContact O-ND2 2.96Å; I235-N324 PolarHBondContact O-ND2 3.35Å; P236-N324 WeakPolarHBondContact CA-OD1 3.19Å; P236-N324 WeakPolarHBondContact CD-OD1 3.24Å; P236-N324 VanDerWaalsContact CG-OD1 3.3Å; P236-N324 WeakPolarHBondContact CG-OD1 3.25Å; P236-N324 VanDerWaalsContact N-OD1 3.14Å; M320-N324 WeakPolarHBondContact O-CB 3.38Å; M320-N324 PolarHBondContact O-N 3.01Å; F321-N324 PolarHBondContact O-N 3.45Å; N324-H326 VanDerWaalsContact C-N 3.27Å; N324-H326 PolarHBondContact O-N 3.04Å; N324-E327 CarbonylContact O-C 3.41Å; N324-E327 WeakPolarHBondContact O-CA 3.09Å; N324-E327 PolarHBondContact O-N 3.15Å; N324-V328 WeakPolarHBondContact O-CG2 3.27Å; N324-V328 PolarHBondContact O-N 3.32Å
325	E	98.3	Very high	97.1	Very high	79 Å²	79	62.7 Å²	62.7	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-56.1	-41.9	173.7	178.4	171.6	-112.5	0	0	111.6	Y240 F321 Y323 V328 S329	Y240-E325 HydrophobicContact CD2-CB 4.35Å; Y240-E325 HydrophobicContact CE2-CB 3.62Å; Y240-E325 HydrophobicContact CE2-CG 3.71Å; Y240-E325 PolarHBondContact OH-OE1 2.74Å; F321-E325 HydrophobicContact CE1-CB 4.49Å; F321-E325 VanDerWaalsContact O-CB 3.32Å; F321-E325 WeakPolarHBondContact O-CB 3.12Å; F321-E325 PolarHBondContact O-N 3.38Å; Y323-E325 VanDerWaalsContact C-N 3.35Å; Y323-E325 PolarHBondContact O-N 2.94Å; E325-V328 PolarHBondContact O-N 2.79Å; E325-S329 WeakPolarHBondContact O-CB 3.48Å; E325-S329 PolarHBondContact O-N 2.73Å
326	H	97.9	Very high	97.2	Very high	109 Å²	109	63.2 Å²	63.2	51%	0.505	30%	0.304	S	S	.	.	H	α-helix	trans	-65.4	-42.4	175	-172.5	58.7	0	0	0	112	N322 Y323 N324 S329 K330	N322-H326 PolarHBondContact O-N 2.88Å; Y323-H326 WeakPolarHBondContact O-CB 3.36Å; Y323-H326 PolarHBondContact O-N 3.03Å; Y323-H326 VanDerWaalsContact O-N 3.17Å; N324-H326 VanDerWaalsContact C-N 3.27Å; N324-H326 PolarHBondContact O-N 3.04Å; H326-S329 PolarHBondContact O-N 3.25Å; H326-K330 VanDerWaalsContact CD2-CE 3.42Å; H326-K330 WeakPolarHBondContact CD2-CE 3.29Å; H326-K330 WeakPolarHBondContact NE2-CE 3.49Å; H326-K330 WeakPolarHBondContact O-CG 3.43Å; H326-K330 PolarHBondContact O-N 3.37Å
327	E	97.4	Very high	97.5	Very high	28 Å²	28	60.7 Å²	60.7	13%	0.131	30%	0.296	C	S	.	.	H	α-helix	trans	-64.9	-37.3	175.3	-70.1	-56	111.8	0	0	112.9	P236 Y323 N324 K330 R331	P236-E327 HydrophobicContact CG-CB 4.09Å; Y323-E327 HydrophobicContact CD1-CG 4.4Å; Y323-E327 HydrophobicContact CE1-CG 3.89Å; Y323-E327 PolarHBondContact O-N 3.47Å; Y323-E327 VanDerWaalsContact O-N 3.08Å; N324-E327 CarbonylContact O-C 3.41Å; N324-E327 WeakPolarHBondContact O-CA 3.09Å; N324-E327 PolarHBondContact O-N 3.15Å; E327-K330 WeakPolarHBondContact OE1-CE 3.23Å; E327-K330 IonicContact OE1-NZ 3.84Å; E327-K330 PolarHBondContact OE1-NZ 3.34Å; E327-R331 PolarHBondContact O-NH1 3.36Å; E327-R331 IonicContact OE2-CZ 3.45Å; E327-R331 IonicContact OE2-NH1 3.9Å; E327-R331 PolarHBondContact OE2-NH1 3.32Å; E327-R331 IonicContact OE2-NH2 2.74Å; E327-R331 PolarHBondContact OE2-NH2 2.86Å
328	V	98.1	Very high	97.6	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-47	172.2	170.1	0	0	0	0	110.1	F203 P236 Y240 N324 E325 K330 R331 W332	F203-V328 HydrophobicContact CE2-CG1 3.98Å; F203-V328 HydrophobicContact CE2-CG2 4.34Å; F203-V328 HydrophobicContact CZ-CG1 4.02Å; P236-V328 HydrophobicContact CB-CG2 3.63Å; Y240-V328 HydrophobicContact CD1-CB 4.32Å; Y240-V328 HydrophobicContact CD1-CG1 3.91Å; Y240-V328 HydrophobicContact CD1-CG2 3.92Å; Y240-V328 HydrophobicContact CE1-CB 4.24Å; Y240-V328 HydrophobicContact CE1-CG1 3.66Å; Y240-V328 HydrophobicContact CE1-CG2 4.34Å; Y240-V328 HydrophobicContact CG-CG2 4.05Å; N324-V328 WeakPolarHBondContact O-CG2 3.27Å; N324-V328 PolarHBondContact O-N 3.32Å; E325-V328 PolarHBondContact O-N 2.79Å; V328-K330 VanDerWaalsContact C-N 3.28Å; V328-K330 PolarHBondContact O-N 3.32Å; V328-R331 CarbonylContact O-C 3.44Å; V328-R331 PolarHBondContact O-N 2.87Å; V328-W332 HydrophobicContact CG1-CE3 3.94Å; V328-W332 PolarHBondContact O-N 2.97Å
329	S	98.3	Very high	97.5	Very high	83 Å²	83	63.7 Å²	63.7	58%	0.58	31%	0.308	S	S	*	.	H	α-helix	trans	-57.6	-39.9	-178.5	-173.5	0	0	0	0	112.4	E325 H326 R331	E325-S329 WeakPolarHBondContact O-CB 3.48Å; E325-S329 PolarHBondContact O-N 2.73Å; H326-S329 PolarHBondContact O-N 3.25Å; S329-R331 PolarHBondContact O-N 2.99Å
330	K	98.2	Very high	97.6	Very high	81 Å²	81	58 Å²	58	35%	0.352	28%	0.28	S	S	.	.	H	α-helix	trans	-58.8	-29.8	175.1	-69.9	173	-174.2	173	0	113.4	H326 E327 V328 F362	H326-K330 VanDerWaalsContact CD2-CE 3.42Å; H326-K330 WeakPolarHBondContact CD2-CE 3.29Å; H326-K330 WeakPolarHBondContact NE2-CE 3.49Å; H326-K330 WeakPolarHBondContact O-CG 3.43Å; H326-K330 PolarHBondContact O-N 3.37Å; E327-K330 WeakPolarHBondContact OE1-CE 3.23Å; E327-K330 IonicContact OE1-NZ 3.84Å; E327-K330 PolarHBondContact OE1-NZ 3.34Å; V328-K330 VanDerWaalsContact C-N 3.28Å; V328-K330 PolarHBondContact O-N 3.32Å; K330-F362 HydrophobicContact CB-CZ 3.95Å; K330-F362 HydrophobicContact CD-CZ 4.42Å
331	R	98.1	Very high	97.6	Very high	5 Å²	5	57.7 Å²	57.7	2%	0.019	28%	0.282	C	S	.	.	H	α-helix	trans	-108.3	-13.9	-169.9	-63.8	170.8	176.1	85.2	-2.4	113.7	E327 V328 S329 T333 F334 E335 Y359 F362 E363 R371	E327-R331 PolarHBondContact O-NH1 3.36Å; E327-R331 IonicContact OE2-CZ 3.45Å; E327-R331 IonicContact OE2-NH1 3.9Å; E327-R331 PolarHBondContact OE2-NH1 3.32Å; E327-R331 IonicContact OE2-NH2 2.74Å; E327-R331 PolarHBondContact OE2-NH2 2.86Å; V328-R331 CarbonylContact O-C 3.44Å; V328-R331 PolarHBondContact O-N 2.87Å; S329-R331 PolarHBondContact O-N 2.99Å; R331-T333 VanDerWaalsContact C-N 3.33Å; R331-T333 PolarHBondContact O-N 2.66Å; R331-F334 WeakPolarHBondContact O-CB 3.47Å; R331-F334 PolarHBondContact O-N 2.71Å; R331-F334 VanDerWaalsContact O-N 3.09Å; R331-E335 PolarHBondContact O-N 3.11Å; R331-Y359 HydrophobicContact CB-CE2 4.33Å; R331-Y359 HydrophobicContact CG-CE2 4.08Å; R331-F362 HydrophobicContact CG-CE1 4.09Å; R331-E363 WeakPolarHBondContact CD-OE1 3.4Å; R331-E363 IonicContact CZ-OE1 2.78Å; R331-E363 IonicContact CZ-OE2 2.98Å; R331-E363 IonicContact NE-OE1 2.71Å; R331-E363 PolarHBondContact NE-OE1 2.91Å; R331-E363 IonicContact NE-OE2 2.68Å; R331-E363 IonicContact NH2-OE1 3.38Å; R331-E363 IonicContact NH2-OE2 3.95Å; R331-E363 PolarHBondContact NH2-OE2 3.27Å; R331-E363 VanDerWaalsContact NH2-OE2 3.09Å; R331-R371 VanDerWaalsContact NE-NE 3.15Å
332	W	98.3	Very high	97.5	Very high	100 Å²	100	62.1 Å²	62.1	38%	0.379	30%	0.299	S	S	.	.	H	α-helix	trans	-52.5	-48.9	-172.2	-177	-89.3	0	0	0	112.9	F203 Q238 V328 F334 E335 E336	F203-W332 HydrophobicContact CE1-CE3 4.48Å; F203-W332 HydrophobicContact CE1-CZ3 4.46Å; F203-W332 AromaticContact CZ-CE3 3.94Å; F203-W332 HydrophobicContact CZ-CE3 3.94Å; F203-W332 HydrophobicContact CZ-CZ3 4.14Å; Q238-W332 HydrophobicContact CG-CH2 4.4Å; Q238-W332 HydrophobicContact CG-CZ3 4.46Å; V328-W332 HydrophobicContact CG1-CE3 3.94Å; V328-W332 PolarHBondContact O-N 2.97Å; W332-F334 VanDerWaalsContact C-N 3.32Å; W332-F334 PolarHBondContact O-N 2.95Å; W332-E335 PolarHBondContact O-N 2.88Å; W332-E336 PolarHBondContact NE1-OE2 3.46Å; W332-E336 VanDerWaalsContact NE1-OE2 3.16Å; W332-E336 VanDerWaalsContact O-CB 3.25Å; W332-E336 WeakPolarHBondContact O-CB 3.35Å; W332-E336 PolarHBondContact O-N 3.37Å
333	T	98.2	Very high	97.5	Very high	92 Å²	92	59 Å²	59	56%	0.564	28%	0.282	S	S	*	.	H	α-helix	trans	-64.3	-37.1	-177.6	54.4	0	0	0	0	112.3	R331 G337	R331-T333 VanDerWaalsContact C-N 3.33Å; R331-T333 PolarHBondContact O-N 2.66Å; T333-G337 PolarHBondContact O-N 2.93Å
334	F	98.4	Very high	97.4	Very high	36 Å²	36	54.4 Å²	54.4	16%	0.158	27%	0.266	C	S	.	.	H	α-helix	trans	-67.9	-48.5	175.8	-63.2	-68.9	0	0	0	111.5	R331 W332 E336 G337 I338 N355 E358 Y359 F362	R331-F334 WeakPolarHBondContact O-CB 3.47Å; R331-F334 PolarHBondContact O-N 2.71Å; R331-F334 VanDerWaalsContact O-N 3.09Å; W332-F334 VanDerWaalsContact C-N 3.32Å; W332-F334 PolarHBondContact O-N 2.95Å; F334-E336 VanDerWaalsContact C-N 3.35Å; F334-E336 PolarHBondContact O-N 3.12Å; F334-G337 WeakPolarHBondContact O-CA 3.32Å; F334-G337 PolarHBondContact O-N 3.3Å; F334-G337 VanDerWaalsContact O-N 3.12Å; F334-I338 PolarHBondContact O-N 3.27Å; F334-N355 PolarHBondContact O-ND2 3.4Å; F334-E358 HydrophobicContact CE1-CB 3.93Å; F334-Y359 HydrophobicContact CB-CD1 3.86Å; F334-Y359 HydrophobicContact CB-CD2 3.73Å; F334-Y359 HydrophobicContact CB-CE1 4.3Å; F334-Y359 HydrophobicContact CB-CE2 4.23Å; F334-Y359 HydrophobicContact CB-CG 3.54Å; F334-Y359 HydrophobicContact CD1-CD2 4.45Å; F334-Y359 HydrophobicContact CD1-CG 4.25Å; F334-Y359 AromaticContact CD2-CD2 3.89Å; F334-Y359 HydrophobicContact CD2-CD2 3.89Å; F334-Y359 HydrophobicContact CD2-CE2 4.44Å; F334-Y359 HydrophobicContact CD2-CG 4.43Å; F334-Y359 AromaticContact CG-CD2 3.79Å; F334-Y359 HydrophobicContact CG-CD2 3.79Å; F334-Y359 AromaticContact CG-CG 3.85Å; F334-Y359 HydrophobicContact CG-CG 3.85Å; F334-F362 HydrophobicContact CE2-CB 4.25Å; F334-F362 HydrophobicContact CE2-CD1 4.45Å; F334-F362 HydrophobicContact CE2-CD2 4.43Å; F334-F362 HydrophobicContact CE2-CG 4.11Å; F334-F362 HydrophobicContact CZ-CB 4.28Å
335	E	98.2	Very high	97.3	Very high	2 Å²	2	56 Å²	56	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-35.4	-179.9	-70.6	-72.8	175.1	0	0	112.4	F203 R204 R331 W332 G337 I338 Y359 R378	F203-E335 HydrophobicContact CB-CG 4.01Å; F203-E335 WeakPolarHBondContact CB-OE1 3.01Å; F203-E335 HydrophobicContact CD1-CB 3.57Å; F203-E335 HydrophobicContact CD1-CG 3.61Å; F203-E335 HydrophobicContact CD2-CG 3.96Å; F203-E335 HydrophobicContact CE1-CB 3.67Å; F203-E335 HydrophobicContact CE1-CG 4.01Å; F203-E335 HydrophobicContact CE2-CG 4.34Å; F203-E335 HydrophobicContact CG-CB 4.1Å; F203-E335 HydrophobicContact CG-CG 3.57Å; F203-E335 HydrophobicContact CZ-CB 4.29Å; F203-E335 HydrophobicContact CZ-CG 4.36Å; R204-E335 PolarHBondContact NH2-O 3.26Å; R204-E335 VanDerWaalsContact NH2-O 3.11Å; R331-E335 PolarHBondContact O-N 3.11Å; W332-E335 PolarHBondContact O-N 2.88Å; E335-G337 VanDerWaalsContact C-N 3.34Å; E335-I338 PolarHBondContact O-N 2.95Å; E335-Y359 HydrophobicContact CG-CE1 4.16Å; E335-Y359 WeakPolarHBondContact OE1-CE1 3.31Å; E335-Y359 PolarHBondContact OE1-OH 2.82Å; E335-R378 IonicContact OE1-CZ 3.33Å; E335-R378 IonicContact OE1-NH1 3.86Å; E335-R378 PolarHBondContact OE1-NH1 3.43Å; E335-R378 IonicContact OE1-NH2 3.79Å; E335-R378 PolarHBondContact OE1-NH2 2.95Å; E335-R378 IonicContact OE2-CZ 2.68Å; E335-R378 IonicContact OE2-NH1 2.84Å; E335-R378 IonicContact OE2-NH2 3.7Å; E335-R378 PolarHBondContact OE2-NH2 3.46Å
336	E	97.3	Very high	97.2	Very high	107 Å²	107	59 Å²	59	50%	0.5	29%	0.288	S	S	.	.	H	α-helix	trans	-69.3	-33	172.3	-174.6	175.7	-171	0	0	112	W332 F334 I338 K339	W332-E336 PolarHBondContact NE1-OE2 3.46Å; W332-E336 VanDerWaalsContact NE1-OE2 3.16Å; W332-E336 VanDerWaalsContact O-CB 3.25Å; W332-E336 WeakPolarHBondContact O-CB 3.35Å; W332-E336 PolarHBondContact O-N 3.37Å; F334-E336 VanDerWaalsContact C-N 3.35Å; F334-E336 PolarHBondContact O-N 3.12Å; E336-I338 PolarHBondContact O-N 2.87Å; E336-K339 WeakPolarHBondContact O-CE 3.31Å; E336-K339 PolarHBondContact O-NZ 2.86Å
337	G	97.5	Very high	97.1	Very high	22 Å²	22	59.1 Å²	59.1	23%	0.227	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-23	174.6	0	0	0	0	0	113.8	T333 F334 E335 K339	T333-G337 PolarHBondContact O-N 2.93Å; F334-G337 WeakPolarHBondContact O-CA 3.32Å; F334-G337 PolarHBondContact O-N 3.3Å; F334-G337 VanDerWaalsContact O-N 3.12Å; E335-G337 VanDerWaalsContact C-N 3.34Å; G337-K339 PolarHBondContact O-N 3.16Å
338	I	97.8	Very high	97	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	30%	0.295	C	S	.	.			trans	-79.9	100.8	176.8	-59.3	164.6	0	0	0	109.6	R204 F334 E335 E336 P341 W356 Y359	R204-I338 PolarHBondContact NH2-O 3.03Å; F334-I338 PolarHBondContact O-N 3.27Å; E335-I338 PolarHBondContact O-N 2.95Å; E336-I338 PolarHBondContact O-N 2.87Å; I338-P341 HydrophobicContact CG2-CB 4.05Å; I338-W356 HydrophobicContact CB-CZ2 4.43Å; I338-W356 HydrophobicContact CD1-CD2 4.37Å; I338-W356 HydrophobicContact CD1-CE3 4.26Å; I338-W356 HydrophobicContact CD1-CH2 3.52Å; I338-W356 HydrophobicContact CD1-CZ2 3.63Å; I338-W356 HydrophobicContact CD1-CZ3 3.85Å; I338-W356 HydrophobicContact CG1-CD2 4.41Å; I338-W356 HydrophobicContact CG1-CH2 4.27Å; I338-W356 HydrophobicContact CG1-CZ2 3.86Å; I338-W356 HydrophobicContact CG2-CH2 4.45Å; I338-W356 HydrophobicContact CG2-CZ2 3.66Å; I338-Y359 HydrophobicContact CD1-CD1 4.32Å; I338-Y359 HydrophobicContact CD1-CE1 4.42Å
339	K	96.6	Very high	96.9	Very high	139 Å²	139	64.7 Å²	64.7	60%	0.604	32%	0.324	S	S	*	.	S	Bend	trans	-85.4	-26.1	178.4	-57.4	-51.3	-176.1	-164.5	0	113.3	E336 G337	E336-K339 WeakPolarHBondContact O-CE 3.31Å; E336-K339 PolarHBondContact O-NZ 2.86Å; G337-K339 PolarHBondContact O-N 3.16Å
340	R	95.9	Very high	96.9	Very high	31 Å²	31	69.5 Å²	69.5	12%	0.117	33%	0.334	C	S	.	.			trans	-130.5	93.7	177.9	-166.2	178.1	71.1	-175.1	5.5	110.6	Y342 H344 K346 L348 S382	R340-Y342 VanDerWaalsContact C-N 3.27Å; R340-Y342 HydrophobicContact CG-CD1 4.17Å; R340-Y342 HydrophobicContact CG-CD2 4.07Å; R340-Y342 HydrophobicContact CG-CE1 3.88Å; R340-Y342 HydrophobicContact CG-CE2 3.77Å; R340-Y342 HydrophobicContact CG-CG 4.25Å; R340-Y342 PolarHBondContact O-N 3.12Å; R340-H344 PolarHBondContact NH2-O 3.47Å; R340-H344 VanDerWaalsContact NH2-O 3.08Å; R340-K346 VanDerWaalsContact CZ-O 3.29Å; R340-K346 PolarHBondContact NH1-O 2.89Å; R340-K346 PolarHBondContact NH2-O 3.44Å; R340-L348 HydrophobicContact CB-CD2 4.15Å; R340-S382 PolarHBondContact O-OG 2.76Å
341	P	95.4	Very high	96.8	Very high	45 Å²	45	68.9 Å²	68.9	29%	0.292	34%	0.344	S	S	.	.			trans	-83.5	1.4	-179.4	36.4	-39.1	0	0	0	113.8	I338 S382	I338-P341 HydrophobicContact CG2-CB 4.05Å; P341-S382 WeakPolarHBondContact CA-OG 3.12Å; P341-S382 PolarHBondContact O-OG 3.31Å
342	Y	96.1	Very high	96.8	Very high	110 Å²	110	69.7 Å²	69.7	43%	0.431	35%	0.348	S	S	.	.	S	Bend	trans	-115.7	156.3	180	58.1	-94.2	0	0	0	111	R340 H344	R340-Y342 VanDerWaalsContact C-N 3.27Å; R340-Y342 HydrophobicContact CG-CD1 4.17Å; R340-Y342 HydrophobicContact CG-CD2 4.07Å; R340-Y342 HydrophobicContact CG-CE1 3.88Å; R340-Y342 HydrophobicContact CG-CE2 3.77Å; R340-Y342 HydrophobicContact CG-CG 4.25Å; R340-Y342 PolarHBondContact O-N 3.12Å; Y342-H344 HydrophobicContact CD2-CB 4.48Å; Y342-H344 HydrophobicContact CE2-CB 4.29Å
343	F	97.1	Very high	96.8	Very high	11 Å²	11	65.9 Å²	65.9	5%	0.048	34%	0.336	C	S	.	.			trans	-66.2	135.5	176.9	176.4	-102.5	0	0	0	112	Y125 C128 V345 I381 A384 L385	Y125-F343 AromaticContact CD1-CE1 3.93Å; Y125-F343 HydrophobicContact CD1-CE1 3.93Å; Y125-F343 HydrophobicContact CD1-CZ 4.05Å; Y125-F343 HydrophobicContact CE1-CZ 4.44Å; C128-F343 WeakPolarHBondContact SG-CD1 3.41Å; F343-V345 HydrophobicContact CE1-CG1 4.14Å; F343-V345 HydrophobicContact CZ-CG1 4.01Å; F343-I381 HydrophobicContact CB-CG2 4.42Å; F343-I381 VanDerWaalsContact CB-O 3.26Å; F343-I381 WeakPolarHBondContact CB-O 3.27Å; F343-I381 WeakPolarHBondContact CD2-O 3.27Å; F343-A384 HydrophobicContact CD2-CB 3.75Å; F343-A384 HydrophobicContact CE2-CB 3.77Å; F343-L385 HydrophobicContact CE2-CD1 4.45Å; F343-L385 HydrophobicContact CE2-CD2 4.2Å; F343-L385 HydrophobicContact CE2-CG 3.97Å; F343-L385 HydrophobicContact CZ-CD2 4.36Å; F343-L385 HydrophobicContact CZ-CG 4.38Å
344	H	95.8	Very high	96.8	Very high	56 Å²	56	67.5 Å²	67.5	26%	0.259	34%	0.335	S	S	.	.			trans	-156.3	143.5	167.4	-177	-61.2	0	0	0	110	R340 Y342 K346	R340-H344 PolarHBondContact NH2-O 3.47Å; R340-H344 VanDerWaalsContact NH2-O 3.08Å; Y342-H344 HydrophobicContact CD2-CB 4.48Å; Y342-H344 HydrophobicContact CE2-CB 4.29Å; H344-K346 VanDerWaalsContact CE1-CG 3.46Å; H344-K346 WeakPolarHBondContact CE1-CG 3.48Å; H344-K346 WeakPolarHBondContact ND1-CB 3.27Å; H344-K346 PolarHBondContact ND1-N 3.49Å; H344-K346 PolarHBondContact O-N 2.83Å
345	V	95	Very high	96.8	Very high	38 Å²	38	66.8 Å²	66.8	23%	0.23	33%	0.333	C	S	.	.	S	Bend	trans	-65.5	-31.3	-174.1	-61.7	0	0	0	0	115.5	F95 Y125 F343 L385	F95-V345 HydrophobicContact CB-CB 4.32Å; F95-V345 HydrophobicContact CB-CG1 3.77Å; F95-V345 HydrophobicContact CB-CG2 3.97Å; F95-V345 HydrophobicContact CD1-CB 4.42Å; F95-V345 HydrophobicContact CD1-CG1 4.08Å; F95-V345 HydrophobicContact CD1-CG2 3.47Å; F95-V345 VanDerWaalsContact CD1-CG2 3.47Å; F95-V345 HydrophobicContact CD2-CG1 3.49Å; F95-V345 VanDerWaalsContact CD2-CG1 3.49Å; F95-V345 HydrophobicContact CD2-CG2 4.45Å; F95-V345 HydrophobicContact CE1-CG2 4.04Å; F95-V345 HydrophobicContact CE2-CG1 4.05Å; F95-V345 HydrophobicContact CG-CB 4.21Å; F95-V345 HydrophobicContact CG-CG1 3.5Å; F95-V345 VanDerWaalsContact CG-CG1 3.5Å; F95-V345 HydrophobicContact CG-CG2 3.71Å; Y125-V345 HydrophobicContact CD1-CG1 4.48Å; Y125-V345 HydrophobicContact CE1-CG1 4Å; F343-V345 HydrophobicContact CE1-CG1 4.14Å; F343-V345 HydrophobicContact CZ-CG1 4.01Å; V345-L385 HydrophobicContact CB-CD1 4.47Å
346	K	95	Very high	96.8	Very high	142 Å²	142	66.8 Å²	66.8	62%	0.617	33%	0.333	S	S	*	.	S	Bend	trans	-51.3	129	170.6	-80	172.7	-176.9	-178.7	0	110.6	R340 H344 L348	R340-K346 VanDerWaalsContact CZ-O 3.29Å; R340-K346 PolarHBondContact NH1-O 2.89Å; R340-K346 PolarHBondContact NH2-O 3.44Å; H344-K346 VanDerWaalsContact CE1-CG 3.46Å; H344-K346 WeakPolarHBondContact CE1-CG 3.48Å; H344-K346 WeakPolarHBondContact ND1-CB 3.27Å; H344-K346 PolarHBondContact ND1-N 3.49Å; H344-K346 PolarHBondContact O-N 2.83Å; K346-L348 PolarHBondContact O-N 3.01Å
347	P	96.3	Very high	96.9	Very high	110 Å²	110	66.8 Å²	66.8	71%	0.714	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-55.6	139.9	176.1	-25.3	34	0	0	0	112.2	Y386	P347-Y386 VanDerWaalsContact CA-OH 3.27Å; P347-Y386 WeakPolarHBondContact CA-OH 3.17Å
348	L	96.4	Very high	97	Very high	15 Å²	15	69.7 Å²	69.7	8%	0.079	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-71.9	152.3	163.9	-68.7	173	0	0	0	111.1	R340 K346 L353 C383 Y386	R340-L348 HydrophobicContact CB-CD2 4.15Å; K346-L348 PolarHBondContact O-N 3.01Å; L348-L353 HydrophobicContact CB-CD2 3.93Å; L348-L353 HydrophobicContact CB-CG 4.34Å; L348-L353 HydrophobicContact CD1-CD2 4Å; L348-C383 VanDerWaalsContact CD1-SG 3.53Å; L348-Y386 HydrophobicContact CB-CE2 4.27Å; L348-Y386 HydrophobicContact CD1-CE2 4.22Å; L348-Y386 HydrophobicContact CG-CE2 4.35Å; L348-Y386 PolarHBondContact N-OH 3.27Å; L348-Y386 PolarHBondContact O-OH 3.47Å
349	E	96.3	Very high	97	Very high	133 Å²	133	69.7 Å²	69.7	62%	0.621	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-70.8	148	172.7	-63.6	175.8	-178	0	0	111.2	A351 Q352 L353	E349-A351 PolarHBondContact O-N 3.45Å; E349-A351 VanDerWaalsContact O-N 3.12Å; E349-Q352 PolarHBondContact O-N 2.94Å; E349-L353 PolarHBondContact O-N 3.09Å
350	K	96.6	Very high	97.1	Very high	183 Å²	183	63.1 Å²	63.1	80%	0.796	31%	0.31	S	S	*	.	H	α-helix	trans	-56.2	-31.9	178.7	-68.9	-174.5	176.9	-178.2	0	113.2	L353 K354	K350-L353 PolarHBondContact O-N 3.48Å; K350-K354 WeakPolarHBondContact O-CB 3.45Å; K350-K354 PolarHBondContact O-N 2.89Å
351	A	97.4	Very high	97.2	Very high	68 Å²	68	65.8 Å²	65.8	56%	0.562	32%	0.324	S	S	*	.	H	α-helix	trans	-63.6	-40.4	176.5	0	0	0	0	0	112.1	E349 K354 N355	E349-A351 PolarHBondContact O-N 3.45Å; E349-A351 VanDerWaalsContact O-N 3.12Å; A351-K354 PolarHBondContact O-N 3.26Å; A351-N355 WeakPolarHBondContact O-CB 3.34Å; A351-N355 PolarHBondContact O-N 2.94Å
352	Q	97.6	Very high	97.4	Very high	22 Å²	22	65.8 Å²	65.8	10%	0.103	32%	0.319	C	S	.	.	H	α-helix	trans	-70.5	-39.2	176.6	-68.2	-175.1	63.8	0	0	111.7	E349 K354 N355 W356	E349-Q352 PolarHBondContact O-N 2.94Å; Q352-K354 VanDerWaalsContact C-N 3.31Å; Q352-K354 PolarHBondContact O-N 3.41Å; Q352-N355 WeakPolarHBondContact O-CB 3.49Å; Q352-N355 PolarHBondContact O-N 2.77Å; Q352-W356 PolarHBondContact O-N 3.43Å
353	L	98.1	Very high	97.5	Very high	21 Å²	21	60.6 Å²	60.6	11%	0.11	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-42	174.2	-57.3	176.8	0	0	0	111.2	L348 E349 K350 W356 K357 Y386 F389	L348-L353 HydrophobicContact CB-CD2 3.93Å; L348-L353 HydrophobicContact CB-CG 4.34Å; L348-L353 HydrophobicContact CD1-CD2 4Å; E349-L353 PolarHBondContact O-N 3.09Å; K350-L353 PolarHBondContact O-N 3.48Å; L353-W356 PolarHBondContact O-N 3.26Å; L353-K357 WeakPolarHBondContact O-CB 3.31Å; L353-K357 PolarHBondContact O-N 3Å; L353-Y386 HydrophobicContact CD1-CD1 4.09Å; L353-Y386 HydrophobicContact CD1-CE1 3.71Å; L353-Y386 HydrophobicContact CD2-CD1 4.15Å; L353-Y386 HydrophobicContact CD2-CD2 4.01Å; L353-Y386 HydrophobicContact CD2-CE1 4.01Å; L353-Y386 HydrophobicContact CD2-CE2 3.88Å; L353-Y386 HydrophobicContact CD2-CG 4.14Å; L353-F389 HydrophobicContact CB-CE2 4.47Å; L353-F389 HydrophobicContact CB-CZ 4.28Å; L353-F389 HydrophobicContact CD2-CE2 3.88Å; L353-F389 HydrophobicContact CD2-CZ 4.35Å
354	K	98.3	Very high	97.5	Very high	125 Å²	125	63.2 Å²	63.2	54%	0.543	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-46.8	174.2	-176.7	179.8	169.4	-174.4	0	111.4	K350 A351 Q352 W356 K357 E358	K350-K354 WeakPolarHBondContact O-CB 3.45Å; K350-K354 PolarHBondContact O-N 2.89Å; A351-K354 PolarHBondContact O-N 3.26Å; Q352-K354 VanDerWaalsContact C-N 3.31Å; Q352-K354 PolarHBondContact O-N 3.41Å; K354-W356 PolarHBondContact O-N 3.05Å; K354-K357 PolarHBondContact O-N 3.43Å; K354-K357 VanDerWaalsContact O-N 3.15Å; K354-E358 VanDerWaalsContact CE-CD 3.44Å; K354-E358 WeakPolarHBondContact CE-OE1 3.49Å; K354-E358 HydrophobicContact CG-CG 4.38Å; K354-E358 IonicContact NZ-OE1 2.84Å; K354-E358 PolarHBondContact NZ-OE1 2.86Å; K354-E358 WeakPolarHBondContact O-CG 3.05Å; K354-E358 PolarHBondContact O-N 3.29Å
355	N	98.7	Very high	97.6	Very high	22 Å²	22	68.2 Å²	68.2	12%	0.118	34%	0.336	C	S	.	.	H	α-helix	trans	-57	-47.4	176.9	-176.1	77.6	0	0	0	112.3	F334 A351 Q352 K357 E358 Y359	F334-N355 PolarHBondContact O-ND2 3.4Å; A351-N355 WeakPolarHBondContact O-CB 3.34Å; A351-N355 PolarHBondContact O-N 2.94Å; Q352-N355 WeakPolarHBondContact O-CB 3.49Å; Q352-N355 PolarHBondContact O-N 2.77Å; N355-K357 VanDerWaalsContact C-N 3.33Å; N355-K357 PolarHBondContact O-N 3.15Å; N355-E358 PolarHBondContact O-N 2.68Å; N355-Y359 VanDerWaalsContact O-CB 3.3Å; N355-Y359 WeakPolarHBondContact O-CB 3.39Å; N355-Y359 PolarHBondContact O-N 3.42Å
356	W	98.6	Very high	97.7	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.008	35%	0.35	C	S	.	.	H	α-helix	trans	-58.9	-44.1	174.9	-82.5	114.9	0	0	0	112.3	I338 Q352 L353 K354 Y359 L360 L375 R378 C379 C383 F389	I338-W356 HydrophobicContact CB-CZ2 4.43Å; I338-W356 HydrophobicContact CD1-CD2 4.37Å; I338-W356 HydrophobicContact CD1-CE3 4.26Å; I338-W356 HydrophobicContact CD1-CH2 3.52Å; I338-W356 HydrophobicContact CD1-CZ2 3.63Å; I338-W356 HydrophobicContact CD1-CZ3 3.85Å; I338-W356 HydrophobicContact CG1-CD2 4.41Å; I338-W356 HydrophobicContact CG1-CH2 4.27Å; I338-W356 HydrophobicContact CG1-CZ2 3.86Å; I338-W356 HydrophobicContact CG2-CH2 4.45Å; I338-W356 HydrophobicContact CG2-CZ2 3.66Å; Q352-W356 PolarHBondContact O-N 3.43Å; L353-W356 PolarHBondContact O-N 3.26Å; K354-W356 PolarHBondContact O-N 3.05Å; W356-Y359 PolarHBondContact O-N 3.41Å; W356-L360 WeakPolarHBondContact O-CB 3.38Å; W356-L360 VanDerWaalsContact O-CG 3.25Å; W356-L360 WeakPolarHBondContact O-CG 3.46Å; W356-L360 PolarHBondContact O-N 2.93Å; W356-L375 HydrophobicContact CE3-CD1 4.46Å; W356-L375 HydrophobicContact CZ3-CD1 3.73Å; W356-R378 HydrophobicContact CH2-CB 4.21Å; W356-R378 HydrophobicContact CZ3-CB 4.47Å; W356-C379 HydrophobicContact CD2-CB 4.24Å; W356-C379 HydrophobicContact CE3-CB 3.63Å; W356-C379 HydrophobicContact CZ3-CB 3.78Å; W356-C383 VanDerWaalsContact CD1-SG 3.59Å; W356-F389 HydrophobicContact CB-CE1 3.82Å; W356-F389 HydrophobicContact CB-CZ 4.07Å
357	K	98.6	Very high	97.6	Very high	107 Å²	107	65.6 Å²	65.6	47%	0.465	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-45.7	-179.6	-174.1	179.7	177.4	-175.5	0	112	L353 K354 N355 E361 F389	L353-K357 WeakPolarHBondContact O-CB 3.31Å; L353-K357 PolarHBondContact O-N 3Å; K354-K357 PolarHBondContact O-N 3.43Å; K354-K357 VanDerWaalsContact O-N 3.15Å; N355-K357 VanDerWaalsContact C-N 3.33Å; N355-K357 PolarHBondContact O-N 3.15Å; K357-E361 VanDerWaalsContact CE-OE1 3.23Å; K357-E361 WeakPolarHBondContact CE-OE1 3.41Å; K357-E361 WeakPolarHBondContact CG-OE1 3.39Å; K357-E361 VanDerWaalsContact O-CG 3.29Å; K357-E361 WeakPolarHBondContact O-CG 3.43Å; K357-E361 PolarHBondContact O-N 3.22Å; K357-F389 HydrophobicContact CB-CE1 4.32Å
358	E	98.7	Very high	97.6	Very high	82 Å²	82	64.5 Å²	64.5	38%	0.383	33%	0.325	S	S	.	.	H	α-helix	trans	-67.6	-39.5	179	-69.8	175.6	159.3	0	0	111.3	F334 K354 N355 E361 F362	F334-E358 HydrophobicContact CE1-CB 3.93Å; K354-E358 VanDerWaalsContact CE-CD 3.44Å; K354-E358 WeakPolarHBondContact CE-OE1 3.49Å; K354-E358 HydrophobicContact CG-CG 4.38Å; K354-E358 IonicContact NZ-OE1 2.84Å; K354-E358 PolarHBondContact NZ-OE1 2.86Å; K354-E358 WeakPolarHBondContact O-CG 3.05Å; K354-E358 PolarHBondContact O-N 3.29Å; N355-E358 PolarHBondContact O-N 2.68Å; E358-E361 PolarHBondContact O-N 3.31Å; E358-F362 PolarHBondContact O-N 2.88Å
359	Y	98.7	Very high	97.6	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-65.8	-42.9	176.7	-172.3	-161	0	0	0	112.2	R331 F334 E335 I338 N355 W356 E361 F362 E363 L375	R331-Y359 HydrophobicContact CB-CE2 4.33Å; R331-Y359 HydrophobicContact CG-CE2 4.08Å; F334-Y359 HydrophobicContact CB-CD1 3.86Å; F334-Y359 HydrophobicContact CB-CD2 3.73Å; F334-Y359 HydrophobicContact CB-CE1 4.3Å; F334-Y359 HydrophobicContact CB-CE2 4.23Å; F334-Y359 HydrophobicContact CB-CG 3.54Å; F334-Y359 HydrophobicContact CD1-CD2 4.45Å; F334-Y359 HydrophobicContact CD1-CG 4.25Å; F334-Y359 AromaticContact CD2-CD2 3.89Å; F334-Y359 HydrophobicContact CD2-CD2 3.89Å; F334-Y359 HydrophobicContact CD2-CE2 4.44Å; F334-Y359 HydrophobicContact CD2-CG 4.43Å; F334-Y359 AromaticContact CG-CD2 3.79Å; F334-Y359 HydrophobicContact CG-CD2 3.79Å; F334-Y359 AromaticContact CG-CG 3.85Å; F334-Y359 HydrophobicContact CG-CG 3.85Å; E335-Y359 HydrophobicContact CG-CE1 4.16Å; E335-Y359 WeakPolarHBondContact OE1-CE1 3.31Å; E335-Y359 PolarHBondContact OE1-OH 2.82Å; I338-Y359 HydrophobicContact CD1-CD1 4.32Å; I338-Y359 HydrophobicContact CD1-CE1 4.42Å; N355-Y359 VanDerWaalsContact O-CB 3.3Å; N355-Y359 WeakPolarHBondContact O-CB 3.39Å; N355-Y359 PolarHBondContact O-N 3.42Å; W356-Y359 PolarHBondContact O-N 3.41Å; Y359-E361 VanDerWaalsContact C-N 3.3Å; Y359-E361 PolarHBondContact O-N 3.21Å; Y359-F362 HydrophobicContact CD2-CD1 4.41Å; Y359-F362 WeakPolarHBondContact O-CB 3.25Å; Y359-F362 PolarHBondContact O-N 3.18Å; Y359-E363 HydrophobicContact CD2-CG 4.14Å; Y359-E363 HydrophobicContact CE2-CG 3.78Å; Y359-E363 PolarHBondContact O-N 3.07Å; Y359-L375 HydrophobicContact CD1-CD1 3.62Å; Y359-L375 HydrophobicContact CD1-CD2 3.69Å; Y359-L375 HydrophobicContact CD1-CG 4.29Å; Y359-L375 HydrophobicContact CD2-CD2 3.86Å; Y359-L375 HydrophobicContact CE1-CD1 3.31Å; Y359-L375 HydrophobicContact CE1-CD2 3.83Å; Y359-L375 HydrophobicContact CE1-CG 4.25Å; Y359-L375 HydrophobicContact CE2-CD2 3.96Å; Y359-L375 HydrophobicContact CG-CD1 4.48Å; Y359-L375 HydrophobicContact CG-CD2 3.72Å
360	L	98.7	Very high	97.4	Very high	1 Å²	1	64 Å²	64	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-40.6	173.3	-74.9	168.5	0	0	0	111.6	W356 E363 I364 L375 F376 C379 F389	W356-L360 WeakPolarHBondContact O-CB 3.38Å; W356-L360 VanDerWaalsContact O-CG 3.25Å; W356-L360 WeakPolarHBondContact O-CG 3.46Å; W356-L360 PolarHBondContact O-N 2.93Å; L360-E363 PolarHBondContact O-N 3.49Å; L360-I364 WeakPolarHBondContact O-CB 3.24Å; L360-I364 VanDerWaalsContact O-CD1 3.27Å; L360-I364 WeakPolarHBondContact O-CD1 3.48Å; L360-I364 WeakPolarHBondContact O-CG1 3.48Å; L360-I364 PolarHBondContact O-N 2.87Å; L360-L375 HydrophobicContact CD2-CB 4.26Å; L360-L375 HydrophobicContact CD2-CD2 3.84Å; L360-L375 HydrophobicContact CD2-CG 3.72Å; L360-L375 HydrophobicContact CG-CD2 4.31Å; L360-L375 HydrophobicContact CG-CG 4.48Å; L360-F376 HydrophobicContact CD1-CD1 4Å; L360-F376 HydrophobicContact CD1-CE1 3.75Å; L360-F376 HydrophobicContact CD1-CZ 4.45Å; L360-F376 HydrophobicContact CD2-CB 4.44Å; L360-F376 HydrophobicContact CD2-CD1 3.68Å; L360-F376 HydrophobicContact CD2-CD2 4.04Å; L360-F376 HydrophobicContact CD2-CE1 3.87Å; L360-F376 HydrophobicContact CD2-CE2 4.21Å; L360-F376 HydrophobicContact CD2-CG 3.77Å; L360-F376 HydrophobicContact CD2-CZ 4.14Å; L360-F376 HydrophobicContact CG-CD1 4.49Å; L360-F376 HydrophobicContact CG-CE1 4.34Å; L360-C379 HydrophobicContact CD1-CB 4.19Å; L360-F389 HydrophobicContact CD1-CD1 3.89Å; L360-F389 HydrophobicContact CD1-CE1 4.25Å
361	E	98.5	Very high	97.3	Very high	86 Å²	86	58 Å²	58	40%	0.402	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-42.9	176.5	-73	166.4	-171	0	0	111.6	K357 E358 Y359 I364 E365 K392	K357-E361 VanDerWaalsContact CE-OE1 3.23Å; K357-E361 WeakPolarHBondContact CE-OE1 3.41Å; K357-E361 WeakPolarHBondContact CG-OE1 3.39Å; K357-E361 VanDerWaalsContact O-CG 3.29Å; K357-E361 WeakPolarHBondContact O-CG 3.43Å; K357-E361 PolarHBondContact O-N 3.22Å; E358-E361 PolarHBondContact O-N 3.31Å; Y359-E361 VanDerWaalsContact C-N 3.3Å; Y359-E361 PolarHBondContact O-N 3.21Å; E361-I364 PolarHBondContact O-N 3.42Å; E361-E365 PolarHBondContact O-N 3.03Å; E361-E365 VanDerWaalsContact O-N 3.15Å; E361-K392 IonicContact OE1-NZ 3.9Å; E361-K392 PolarHBondContact OE1-NZ 2.94Å
362	F	98.6	Very high	97.3	Very high	46 Å²	46	54.9 Å²	54.9	20%	0.202	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-48.8	176.1	173.5	-93	0	0	0	112.4	K330 R331 F334 E358 Y359 E365 N366	K330-F362 HydrophobicContact CB-CZ 3.95Å; K330-F362 HydrophobicContact CD-CZ 4.42Å; R331-F362 HydrophobicContact CG-CE1 4.09Å; F334-F362 HydrophobicContact CE2-CB 4.25Å; F334-F362 HydrophobicContact CE2-CD1 4.45Å; F334-F362 HydrophobicContact CE2-CD2 4.43Å; F334-F362 HydrophobicContact CE2-CG 4.11Å; F334-F362 HydrophobicContact CZ-CB 4.28Å; E358-F362 PolarHBondContact O-N 2.88Å; Y359-F362 HydrophobicContact CD2-CD1 4.41Å; Y359-F362 WeakPolarHBondContact O-CB 3.25Å; Y359-F362 PolarHBondContact O-N 3.18Å; F362-E365 PolarHBondContact O-N 3.43Å; F362-N366 HydrophobicContact CZ-CB 4.41Å; F362-N366 WeakPolarHBondContact O-CB 3.38Å; F362-N366 PolarHBondContact O-N 3.37Å; F362-N366 PolarHBondContact O-ND2 3.01Å
363	E	97.9	Very high	97.3	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-69.9	-34.7	178.9	-70.3	-72	-164.2	0	0	112.2	R331 Y359 L360 E365 N366 G367 R371 V372 L375	R331-E363 WeakPolarHBondContact CD-OE1 3.4Å; R331-E363 IonicContact CZ-OE1 2.78Å; R331-E363 IonicContact CZ-OE2 2.98Å; R331-E363 IonicContact NE-OE1 2.71Å; R331-E363 PolarHBondContact NE-OE1 2.91Å; R331-E363 IonicContact NE-OE2 2.68Å; R331-E363 IonicContact NH2-OE1 3.38Å; R331-E363 IonicContact NH2-OE2 3.95Å; R331-E363 PolarHBondContact NH2-OE2 3.27Å; R331-E363 VanDerWaalsContact NH2-OE2 3.09Å; Y359-E363 HydrophobicContact CD2-CG 4.14Å; Y359-E363 HydrophobicContact CE2-CG 3.78Å; Y359-E363 PolarHBondContact O-N 3.07Å; L360-E363 PolarHBondContact O-N 3.49Å; E363-E365 PolarHBondContact O-N 3.42Å; E363-N366 PolarHBondContact O-N 2.91Å; E363-G367 VanDerWaalsContact O-CA 3.24Å; E363-G367 WeakPolarHBondContact O-CA 3.43Å; E363-G367 PolarHBondContact O-N 2.83Å; E363-R371 WeakPolarHBondContact OE1-CD 3.4Å; E363-R371 IonicContact OE1-CZ 3.01Å; E363-R371 IonicContact OE1-NE 3.19Å; E363-R371 PolarHBondContact OE1-NE 3.36Å; E363-R371 IonicContact OE1-NH2 2.69Å; E363-R371 VanDerWaalsContact OE2-CD 3.31Å; E363-R371 WeakPolarHBondContact OE2-CD 3.07Å; E363-R371 IonicContact OE2-NE 2.66Å; E363-R371 PolarHBondContact OE2-NE 3.23Å; E363-V372 VanDerWaalsContact C-CG2 3.47Å; E363-V372 HydrophobicContact CB-CG2 4.02Å; E363-V372 WeakPolarHBondContact O-CG2 3.43Å; E363-L375 HydrophobicContact CB-CD2 4.01Å; E363-L375 HydrophobicContact CG-CD2 3.53Å
364	I	97.9	Very high	97.3	Very high	66 Å²	66	53.8 Å²	53.8	34%	0.338	26%	0.264	S	S	.	.	H	α-helix	trans	-59.6	-36.7	175.4	-73	162.4	0	0	0	111.1	L360 E361 V372 F376 Y396	L360-I364 WeakPolarHBondContact O-CB 3.24Å; L360-I364 VanDerWaalsContact O-CD1 3.27Å; L360-I364 WeakPolarHBondContact O-CD1 3.48Å; L360-I364 WeakPolarHBondContact O-CG1 3.48Å; L360-I364 PolarHBondContact O-N 2.87Å; E361-I364 PolarHBondContact O-N 3.42Å; I364-V372 HydrophobicContact CG1-CG1 3.74Å; I364-F376 HydrophobicContact CD1-CE2 3.95Å; I364-F376 HydrophobicContact CD1-CZ 3.93Å; I364-F376 HydrophobicContact CG1-CE2 4.22Å; I364-Y396 HydrophobicContact CD1-CD2 4.43Å; I364-Y396 HydrophobicContact CG1-CD2 4.07Å; I364-Y396 HydrophobicContact CG1-CE2 4.2Å; I364-Y396 HydrophobicContact CG2-CD2 4.44Å; I364-Y396 HydrophobicContact CG2-CE2 4.42Å
365	E	97.8	Very high	97.3	Very high	161 Å²	161	48 Å²	48	75%	0.752	24%	0.239	S	C	*	.	H	α-helix	trans	-82.9	-34	-178.2	-175.7	169.4	-150.2	0	0	113.3	E361 F362 E363	E361-E365 PolarHBondContact O-N 3.03Å; E361-E365 VanDerWaalsContact O-N 3.15Å; F362-E365 PolarHBondContact O-N 3.43Å; E363-E365 PolarHBondContact O-N 3.42Å
366	N	96.3	Very high	97.2	Very high	98 Å²	98	46.9 Å²	46.9	52%	0.524	23%	0.233	S	C	.	.	H	α-helix	trans	-120.2	-19.6	-167.7	-57.6	-81.4	0	0	0	114.7	F362 E363	F362-N366 HydrophobicContact CZ-CB 4.41Å; F362-N366 WeakPolarHBondContact O-CB 3.38Å; F362-N366 PolarHBondContact O-N 3.37Å; F362-N366 PolarHBondContact O-ND2 3.01Å; E363-N366 PolarHBondContact O-N 2.91Å
367	G	94.4	Very high	97.2	Very high	26 Å²	26	47.7 Å²	47.7	27%	0.268	24%	0.237	S	C	.	.	S	Bend	trans	-89.7	169.6	-174.1	0	0	0	0	0	113.4	E363	E363-G367 VanDerWaalsContact O-CA 3.24Å; E363-G367 WeakPolarHBondContact O-CA 3.43Å; E363-G367 PolarHBondContact O-N 2.83Å
368	T	95.3	Very high	97.2	Very high	88 Å²	88	43.3 Å²	43.3	54%	0.54	22%	0.218	S	C	.	.			trans	-75.3	157.3	169.5	65.1	0	0	0	0	110.4	E370 R371 V372	T368-E370 VanDerWaalsContact C-N 3.28Å; T368-E370 PolarHBondContact O-N 2.69Å; T368-R371 PolarHBondContact O-N 3.27Å; T368-R371 VanDerWaalsContact O-N 3.12Å; T368-R371 WeakPolarHBondContact OG1-CB 3.35Å; T368-R371 PolarHBondContact OG1-N 2.83Å; T368-V372 WeakPolarHBondContact O-CG2 3.44Å; T368-V372 PolarHBondContact O-N 3.32Å
369	H	95.9	Very high	97.2	Very high	52 Å²	52	39.4 Å²	39.4	24%	0.241	20%	0.2	C	C	.	.	H	α-helix	trans	-52.6	-47	176.5	173.9	56.3	0	0	0	112.1	S32 R371 V372 V373 Y396 H400	S32-H369 PolarHBondContact OG-NE2 2.98Å; H369-R371 VanDerWaalsContact C-N 3.35Å; H369-R371 PolarHBondContact O-N 3Å; H369-V372 WeakPolarHBondContact O-CB 3.36Å; H369-V372 PolarHBondContact O-N 3.12Å; H369-V373 VanDerWaalsContact CE1-CG2 3.46Å; H369-V373 WeakPolarHBondContact CE1-CG2 3.33Å; H369-V373 WeakPolarHBondContact O-CG2 3.34Å; H369-V373 PolarHBondContact O-N 2.82Å; H369-Y396 AromaticContact CE1-CE1 3.91Å; H369-Y396 AromaticContact ND1-CE1 3.64Å; H369-Y396 AromaticContact ND1-CZ 3.67Å; H369-Y396 PolarHBondContact ND1-OH 3.2Å; H369-H400 AromaticContact CE1-CD2 3.82Å; H369-H400 AromaticContact CE1-CG 3.56Å; H369-H400 AromaticContact CE1-ND1 3.85Å; H369-H400 AromaticContact ND1-CD2 3.82Å; H369-H400 AromaticContact ND1-CE1 3.76Å; H369-H400 AromaticContact ND1-CG 3.8Å; H369-H400 AromaticContact ND1-ND1 3.75Å; H369-H400 AromaticContact ND1-NE2 3.82Å
370	E	92.9	Very high	97.1	Very high	86 Å²	86	39.3 Å²	39.3	40%	0.402	20%	0.199	S	C	.	.	H	α-helix	trans	-56.8	-46.6	177.4	-65.9	170.6	-170.4	0	0	112.2	F31 T368 V372 V373 V374	F31-E370 HydrophobicContact CB-CG 3.87Å; F31-E370 WeakPolarHBondContact CB-OE1 3.38Å; F31-E370 HydrophobicContact CD1-CB 4.4Å; F31-E370 HydrophobicContact CD1-CG 3.84Å; F31-E370 HydrophobicContact CG-CG 4.06Å; T368-E370 VanDerWaalsContact C-N 3.28Å; T368-E370 PolarHBondContact O-N 2.69Å; E370-V372 VanDerWaalsContact C-N 3.31Å; E370-V372 PolarHBondContact O-N 3.44Å; E370-V373 PolarHBondContact O-N 2.86Å; E370-V374 WeakPolarHBondContact O-CG2 3.16Å; E370-V374 PolarHBondContact O-N 3.18Å
371	R	95	Very high	97.1	Very high	57 Å²	57	39.8 Å²	39.8	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-38.9	179.4	-171.1	172.6	-170.2	96.1	11.7	111.9	R331 E363 T368 H369 L375	R331-R371 VanDerWaalsContact NE-NE 3.15Å; E363-R371 WeakPolarHBondContact OE1-CD 3.4Å; E363-R371 IonicContact OE1-CZ 3.01Å; E363-R371 IonicContact OE1-NE 3.19Å; E363-R371 PolarHBondContact OE1-NE 3.36Å; E363-R371 IonicContact OE1-NH2 2.69Å; E363-R371 VanDerWaalsContact OE2-CD 3.31Å; E363-R371 WeakPolarHBondContact OE2-CD 3.07Å; E363-R371 IonicContact OE2-NE 2.66Å; E363-R371 PolarHBondContact OE2-NE 3.23Å; T368-R371 PolarHBondContact O-N 3.27Å; T368-R371 VanDerWaalsContact O-N 3.12Å; T368-R371 WeakPolarHBondContact OG1-CB 3.35Å; T368-R371 PolarHBondContact OG1-N 2.83Å; H369-R371 VanDerWaalsContact C-N 3.35Å; H369-R371 PolarHBondContact O-N 3Å; R371-L375 WeakPolarHBondContact O-CB 3.28Å; R371-L375 PolarHBondContact O-N 3.44Å
372	V	97.8	Very high	97	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-46.1	175.8	176.1	0	0	0	0	110.8	E363 I364 T368 H369 E370 L375 F376 Y396	E363-V372 VanDerWaalsContact C-CG2 3.47Å; E363-V372 HydrophobicContact CB-CG2 4.02Å; E363-V372 WeakPolarHBondContact O-CG2 3.43Å; I364-V372 HydrophobicContact CG1-CG1 3.74Å; T368-V372 WeakPolarHBondContact O-CG2 3.44Å; T368-V372 PolarHBondContact O-N 3.32Å; H369-V372 WeakPolarHBondContact O-CB 3.36Å; H369-V372 PolarHBondContact O-N 3.12Å; E370-V372 VanDerWaalsContact C-N 3.31Å; E370-V372 PolarHBondContact O-N 3.44Å; V372-L375 PolarHBondContact O-N 2.96Å; V372-F376 HydrophobicContact CG1-CD2 3.65Å; V372-F376 HydrophobicContact CG1-CE2 3.69Å; V372-F376 WeakPolarHBondContact O-CD2 3.35Å; V372-F376 PolarHBondContact O-N 2.95Å; V372-Y396 HydrophobicContact CB-CE1 4.17Å; V372-Y396 HydrophobicContact CB-CE2 4.47Å; V372-Y396 HydrophobicContact CG1-CD1 4.03Å; V372-Y396 HydrophobicContact CG1-CD2 4.17Å; V372-Y396 HydrophobicContact CG1-CE1 3.51Å; V372-Y396 HydrophobicContact CG1-CE2 3.68Å; V372-Y396 HydrophobicContact CG1-CG 4.33Å
373	V	97.3	Very high	97	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-48.6	177.3	170.3	0	0	0	0	110.8	I35 H369 E370 L375 F376 E377 Y396 M397	I35-V373 HydrophobicContact CD1-CG1 4.34Å; H369-V373 VanDerWaalsContact CE1-CG2 3.46Å; H369-V373 WeakPolarHBondContact CE1-CG2 3.33Å; H369-V373 WeakPolarHBondContact O-CG2 3.34Å; H369-V373 PolarHBondContact O-N 2.82Å; E370-V373 PolarHBondContact O-N 2.86Å; V373-L375 VanDerWaalsContact C-N 3.32Å; V373-L375 PolarHBondContact O-N 2.95Å; V373-F376 WeakPolarHBondContact O-CB 3.4Å; V373-F376 PolarHBondContact O-N 3.03Å; V373-F376 VanDerWaalsContact O-N 3.16Å; V373-E377 WeakPolarHBondContact O-CG 3.14Å; V373-E377 PolarHBondContact O-N 2.92Å; V373-Y396 HydrophobicContact CG2-CE1 4.2Å; V373-M397 HydrophobicContact CG2-SD 4.14Å
374	V	96.6	Very high	97	Very high	14 Å²	14	33.6 Å²	33.6	9%	0.085	17%	0.174	C	C	.	.	H	α-helix	trans	-57.1	-45.3	175.5	168.4	0	0	0	0	111	I35 L161 T201 E370 F376 E377 R378	I35-V374 HydrophobicContact CD1-CG2 4.1Å; L161-V374 HydrophobicContact CD2-CG1 4.37Å; T201-V374 WeakPolarHBondContact OG1-CG1 3.22Å; E370-V374 WeakPolarHBondContact O-CG2 3.16Å; E370-V374 PolarHBondContact O-N 3.18Å; V374-F376 PolarHBondContact O-N 3.4Å; V374-E377 PolarHBondContact O-N 3.4Å; V374-R378 VanDerWaalsContact O-CG 3.3Å; V374-R378 WeakPolarHBondContact O-CG 3.35Å; V374-R378 PolarHBondContact O-N 3.01Å
375	L	98.3	Very high	96.9	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-38.4	178.7	-176	63.9	0	0	0	112.1	W356 Y359 L360 E363 R371 V372 V373 R378 C379	W356-L375 HydrophobicContact CE3-CD1 4.46Å; W356-L375 HydrophobicContact CZ3-CD1 3.73Å; Y359-L375 HydrophobicContact CD1-CD1 3.62Å; Y359-L375 HydrophobicContact CD1-CD2 3.69Å; Y359-L375 HydrophobicContact CD1-CG 4.29Å; Y359-L375 HydrophobicContact CD2-CD2 3.86Å; Y359-L375 HydrophobicContact CE1-CD1 3.31Å; Y359-L375 HydrophobicContact CE1-CD2 3.83Å; Y359-L375 HydrophobicContact CE1-CG 4.25Å; Y359-L375 HydrophobicContact CE2-CD2 3.96Å; Y359-L375 HydrophobicContact CG-CD1 4.48Å; Y359-L375 HydrophobicContact CG-CD2 3.72Å; L360-L375 HydrophobicContact CD2-CB 4.26Å; L360-L375 HydrophobicContact CD2-CD2 3.84Å; L360-L375 HydrophobicContact CD2-CG 3.72Å; L360-L375 HydrophobicContact CG-CD2 4.31Å; L360-L375 HydrophobicContact CG-CG 4.48Å; E363-L375 HydrophobicContact CB-CD2 4.01Å; E363-L375 HydrophobicContact CG-CD2 3.53Å; R371-L375 WeakPolarHBondContact O-CB 3.28Å; R371-L375 PolarHBondContact O-N 3.44Å; V372-L375 PolarHBondContact O-N 2.96Å; V373-L375 VanDerWaalsContact C-N 3.32Å; V373-L375 PolarHBondContact O-N 2.95Å; L375-R378 PolarHBondContact O-N 3.46Å; L375-C379 VanDerWaalsContact O-CB 3.31Å; L375-C379 WeakPolarHBondContact O-CB 3.47Å; L375-C379 PolarHBondContact O-N 3.21Å
376	F	98.6	Very high	96.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-45.8	172.8	-93.2	-64.5	0	0	0	111.6	L360 I364 V372 V373 V374 R378 C379 V380 K392 Y393 Y396	L360-F376 HydrophobicContact CD1-CD1 4Å; L360-F376 HydrophobicContact CD1-CE1 3.75Å; L360-F376 HydrophobicContact CD1-CZ 4.45Å; L360-F376 HydrophobicContact CD2-CB 4.44Å; L360-F376 HydrophobicContact CD2-CD1 3.68Å; L360-F376 HydrophobicContact CD2-CD2 4.04Å; L360-F376 HydrophobicContact CD2-CE1 3.87Å; L360-F376 HydrophobicContact CD2-CE2 4.21Å; L360-F376 HydrophobicContact CD2-CG 3.77Å; L360-F376 HydrophobicContact CD2-CZ 4.14Å; L360-F376 HydrophobicContact CG-CD1 4.49Å; L360-F376 HydrophobicContact CG-CE1 4.34Å; I364-F376 HydrophobicContact CD1-CE2 3.95Å; I364-F376 HydrophobicContact CD1-CZ 3.93Å; I364-F376 HydrophobicContact CG1-CE2 4.22Å; V372-F376 HydrophobicContact CG1-CD2 3.65Å; V372-F376 HydrophobicContact CG1-CE2 3.69Å; V372-F376 WeakPolarHBondContact O-CD2 3.35Å; V372-F376 PolarHBondContact O-N 2.95Å; V373-F376 WeakPolarHBondContact O-CB 3.4Å; V373-F376 PolarHBondContact O-N 3.03Å; V373-F376 VanDerWaalsContact O-N 3.16Å; V374-F376 PolarHBondContact O-N 3.4Å; F376-R378 PolarHBondContact O-N 2.78Å; F376-C379 WeakPolarHBondContact O-CB 3.5Å; F376-C379 PolarHBondContact O-N 3.23Å; F376-C379 VanDerWaalsContact O-N 3.12Å; F376-V380 WeakPolarHBondContact O-CG2 3.25Å; F376-V380 PolarHBondContact O-N 3.42Å; F376-K392 HydrophobicContact CE1-CB 4.39Å; F376-K392 HydrophobicContact CE1-CG 4.25Å; F376-K392 HydrophobicContact CZ-CG 4.17Å; F376-Y393 HydrophobicContact CB-CD1 4.11Å; F376-Y393 HydrophobicContact CB-CD2 3.54Å; F376-Y393 HydrophobicContact CB-CE1 4.13Å; F376-Y393 HydrophobicContact CB-CE2 3.59Å; F376-Y393 HydrophobicContact CB-CG 3.83Å; F376-Y393 HydrophobicContact CD1-CD1 4.49Å; F376-Y393 AromaticContact CD1-CD2 3.82Å; F376-Y393 HydrophobicContact CD1-CD2 3.82Å; F376-Y393 AromaticContact CD1-CG 3.71Å; F376-Y393 HydrophobicContact CD1-CG 3.71Å; F376-Y393 AromaticContact CD2-CD2 3.67Å; F376-Y393 HydrophobicContact CD2-CD2 3.67Å; F376-Y393 HydrophobicContact CD2-CE2 4.12Å; F376-Y393 HydrophobicContact CD2-CG 4.42Å; F376-Y393 HydrophobicContact CE1-CD2 4.4Å; F376-Y393 HydrophobicContact CE1-CG 4.34Å; F376-Y393 HydrophobicContact CE2-CD2 4.28Å; F376-Y393 HydrophobicContact CG-CD1 4.49Å; F376-Y393 AromaticContact CG-CD2 3.41Å; F376-Y393 HydrophobicContact CG-CD2 3.41Å; F376-Y393 VanDerWaalsContact CG-CD2 3.41Å; F376-Y393 AromaticContact CG-CE2 3.93Å; F376-Y393 HydrophobicContact CG-CE2 3.93Å; F376-Y393 AromaticContact CG-CG 3.76Å; F376-Y393 HydrophobicContact CG-CG 3.76Å; F376-Y396 HydrophobicContact CD2-CD1 4.14Å; F376-Y396 HydrophobicContact CD2-CG 4.43Å; F376-Y396 AromaticContact CE2-CD1 3.92Å; F376-Y396 HydrophobicContact CE2-CD1 3.92Å; F376-Y396 HydrophobicContact CE2-CD2 4.36Å; F376-Y396 AromaticContact CE2-CG 3.75Å; F376-Y396 HydrophobicContact CE2-CG 3.75Å
377	E	97.8	Very high	97	Very high	19 Å²	19	23.7 Å²	23.7	9%	0.089	12%	0.123	C	C	.	.	H	α-helix	trans	-59.7	-44.6	176.9	-72.1	-60.1	155.7	0	0	111.6	L161 V373 V374 C379 V380 I381 Y393 R411	L161-E377 HydrophobicContact CD1-CB 4.11Å; L161-E377 HydrophobicContact CD2-CB 3.84Å; V373-E377 WeakPolarHBondContact O-CG 3.14Å; V373-E377 PolarHBondContact O-N 2.92Å; V374-E377 PolarHBondContact O-N 3.4Å; E377-C379 VanDerWaalsContact C-N 3.33Å; E377-C379 PolarHBondContact O-N 3.03Å; E377-V380 VanDerWaalsContact O-CG2 3.31Å; E377-V380 WeakPolarHBondContact O-CG2 3.43Å; E377-V380 PolarHBondContact O-N 3.17Å; E377-I381 VanDerWaalsContact O-CG1 3.3Å; E377-I381 WeakPolarHBondContact O-CG1 3.3Å; E377-I381 PolarHBondContact O-N 3.21Å; E377-Y393 WeakPolarHBondContact OE1-CE1 3.44Å; E377-Y393 PolarHBondContact OE1-OH 2.67Å; E377-R411 IonicContact OE1-CZ 3.88Å; E377-R411 IonicContact OE1-NH1 3.78Å; E377-R411 PolarHBondContact OE1-NH1 3.24Å; E377-R411 IonicContact OE1-NH2 3.52Å; E377-R411 IonicContact OE2-CZ 2.7Å; E377-R411 IonicContact OE2-NH1 2.79Å; E377-R411 PolarHBondContact OE2-NH1 3.42Å; E377-R411 VanDerWaalsContact OE2-NH1 3.11Å; E377-R411 IonicContact OE2-NH2 3.59Å; E377-R411 PolarHBondContact OE2-NH2 3Å
378	R	98.1	Very high	97.2	Very high	15 Å²	15	27.3 Å²	27.3	6%	0.057	13%	0.133	C	C	.	.	H	α-helix	trans	-59.4	-43.3	172.6	-67.8	170	72.6	-141	1.6	112.1	L161 D202 E335 W356 V374 L375 F376 I381 S382	L161-R378 HydrophobicContact CD2-CG 3.54Å; D202-R378 IonicContact OD1-CZ 3.29Å; D202-R378 IonicContact OD1-NE 2.74Å; D202-R378 IonicContact OD1-NH2 2.82Å; D202-R378 PolarHBondContact OD1-NH2 2.98Å; D202-R378 WeakPolarHBondContact OD2-CD 3.28Å; D202-R378 IonicContact OD2-CZ 3.18Å; D202-R378 IonicContact OD2-NE 3.46Å; D202-R378 PolarHBondContact OD2-NE 3.32Å; D202-R378 IonicContact OD2-NH2 2.86Å; E335-R378 IonicContact OE1-CZ 3.33Å; E335-R378 IonicContact OE1-NH1 3.86Å; E335-R378 PolarHBondContact OE1-NH1 3.43Å; E335-R378 IonicContact OE1-NH2 3.79Å; E335-R378 PolarHBondContact OE1-NH2 2.95Å; E335-R378 IonicContact OE2-CZ 2.68Å; E335-R378 IonicContact OE2-NH1 2.84Å; E335-R378 IonicContact OE2-NH2 3.7Å; E335-R378 PolarHBondContact OE2-NH2 3.46Å; W356-R378 HydrophobicContact CH2-CB 4.21Å; W356-R378 HydrophobicContact CZ3-CB 4.47Å; V374-R378 VanDerWaalsContact O-CG 3.3Å; V374-R378 WeakPolarHBondContact O-CG 3.35Å; V374-R378 PolarHBondContact O-N 3.01Å; L375-R378 PolarHBondContact O-N 3.46Å; F376-R378 PolarHBondContact O-N 2.78Å; R378-I381 PolarHBondContact O-N 2.74Å; R378-S382 PolarHBondContact O-N 3.46Å; R378-S382 PolarHBondContact O-OG 3.46Å
379	C	98.6	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-49.1	179	-176.5	0	0	0	0	111	W356 L360 L375 F376 E377 I381 S382 C383 F389	W356-C379 HydrophobicContact CD2-CB 4.24Å; W356-C379 HydrophobicContact CE3-CB 3.63Å; W356-C379 HydrophobicContact CZ3-CB 3.78Å; L360-C379 HydrophobicContact CD1-CB 4.19Å; L375-C379 VanDerWaalsContact O-CB 3.31Å; L375-C379 WeakPolarHBondContact O-CB 3.47Å; L375-C379 PolarHBondContact O-N 3.21Å; F376-C379 WeakPolarHBondContact O-CB 3.5Å; F376-C379 PolarHBondContact O-N 3.23Å; F376-C379 VanDerWaalsContact O-N 3.12Å; E377-C379 VanDerWaalsContact C-N 3.33Å; E377-C379 PolarHBondContact O-N 3.03Å; C379-I381 VanDerWaalsContact C-N 3.26Å; C379-I381 PolarHBondContact O-N 3.42Å; C379-S382 PolarHBondContact O-N 2.74Å; C379-S382 VanDerWaalsContact O-N 3.17Å; C379-C383 WeakPolarHBondContact O-CA 3.25Å; C379-C383 WeakPolarHBondContact O-CB 3.26Å; C379-C383 PolarHBondContact O-N 2.69Å; C379-F389 WeakPolarHBondContact SG-CD1 3.36Å
380	V	98	Very high	97.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-69.1	-22.6	-179.5	-61.2	0	0	0	0	112.8	F376 E377 A384 W390 Y393	F376-V380 WeakPolarHBondContact O-CG2 3.25Å; F376-V380 PolarHBondContact O-N 3.42Å; E377-V380 VanDerWaalsContact O-CG2 3.31Å; E377-V380 WeakPolarHBondContact O-CG2 3.43Å; E377-V380 PolarHBondContact O-N 3.17Å; V380-A384 WeakPolarHBondContact O-CA 3.47Å; V380-A384 WeakPolarHBondContact O-CB 3.49Å; V380-A384 PolarHBondContact O-N 2.76Å; V380-W390 HydrophobicContact CB-CD2 4.28Å; V380-W390 HydrophobicContact CB-CE3 4.36Å; V380-W390 HydrophobicContact CB-CH2 3.92Å; V380-W390 HydrophobicContact CB-CZ2 3.79Å; V380-W390 HydrophobicContact CB-CZ3 4.2Å; V380-W390 HydrophobicContact CG1-CD2 3.98Å; V380-W390 HydrophobicContact CG1-CE3 4.08Å; V380-W390 HydrophobicContact CG1-CG 4.48Å; V380-W390 HydrophobicContact CG1-CZ2 4.41Å; V380-W390 HydrophobicContact CG1-CZ3 4.36Å; V380-W390 HydrophobicContact CG2-CH2 4.05Å; V380-W390 HydrophobicContact CG2-CZ2 4.4Å; V380-W390 HydrophobicContact CG2-CZ3 4.26Å; V380-Y393 HydrophobicContact CG1-CD1 4.14Å
381	I	97.7	Very high	97.8	Very high	11 Å²	11	17.8 Å²	17.8	6%	0.056	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-55.5	167	-71.1	163.6	0	0	0	110.3	Y127 I159 L161 F343 E377 R378 C379 C383	Y127-I381 HydrophobicContact CD2-CB 4.21Å; Y127-I381 HydrophobicContact CD2-CG1 4.03Å; Y127-I381 HydrophobicContact CD2-CG2 4.39Å; Y127-I381 HydrophobicContact CE2-CB 4.46Å; Y127-I381 HydrophobicContact CE2-CG1 3.99Å; Y127-I381 HydrophobicContact CG-CG1 4.38Å; I159-I381 HydrophobicContact CD1-CD1 4.19Å; I159-I381 HydrophobicContact CD1-CG1 4.32Å; I159-I381 HydrophobicContact CD1-CG2 3.83Å; I159-I381 HydrophobicContact CG1-CD1 3.92Å; I159-I381 HydrophobicContact CG1-CG1 4.35Å; L161-I381 HydrophobicContact CB-CD1 3.8Å; F343-I381 HydrophobicContact CB-CG2 4.42Å; F343-I381 VanDerWaalsContact CB-O 3.26Å; F343-I381 WeakPolarHBondContact CB-O 3.27Å; F343-I381 WeakPolarHBondContact CD2-O 3.27Å; E377-I381 VanDerWaalsContact O-CG1 3.3Å; E377-I381 WeakPolarHBondContact O-CG1 3.3Å; E377-I381 PolarHBondContact O-N 3.21Å; R378-I381 PolarHBondContact O-N 2.74Å; C379-I381 VanDerWaalsContact C-N 3.26Å; C379-I381 PolarHBondContact O-N 3.42Å; I381-C383 PolarHBondContact O-N 3.03Å
382	S	96.8	Very high	97.9	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-68.5	-35.1	-177.2	-62.8	0	0	0	0	113.2	R340 P341 R378 C379	R340-S382 PolarHBondContact O-OG 2.76Å; P341-S382 WeakPolarHBondContact CA-OG 3.12Å; P341-S382 PolarHBondContact O-OG 3.31Å; R378-S382 PolarHBondContact O-N 3.46Å; R378-S382 PolarHBondContact O-OG 3.46Å; C379-S382 PolarHBondContact O-N 2.74Å; C379-S382 VanDerWaalsContact O-N 3.17Å
383	C	97.5	Very high	98	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	24.3	-170.5	-56.8	0	0	0	0	112.6	L348 W356 C379 I381 L385 Y386 F389	L348-C383 VanDerWaalsContact CD1-SG 3.53Å; W356-C383 VanDerWaalsContact CD1-SG 3.59Å; C379-C383 WeakPolarHBondContact O-CA 3.25Å; C379-C383 WeakPolarHBondContact O-CB 3.26Å; C379-C383 PolarHBondContact O-N 2.69Å; I381-C383 PolarHBondContact O-N 3.03Å; C383-L385 PolarHBondContact O-N 2.96Å; C383-Y386 HydrophobicContact CB-CD2 3.91Å; C383-Y386 WeakPolarHBondContact O-CB 3.3Å; C383-Y386 WeakPolarHBondContact O-CD2 3.43Å; C383-Y386 PolarHBondContact O-N 3.45Å; C383-F389 HydrophobicContact CB-CD2 3.82Å; C383-F389 HydrophobicContact CB-CE2 4.22Å; C383-F389 HydrophobicContact CB-CG 4.31Å
384	A	97.9	Very high	98	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.9	-172.8	0	0	0	0	0	114.5	Y127 F343 V380 Y386 W390 H416	Y127-A384 HydrophobicContact CD2-CB 4.17Å; Y127-A384 HydrophobicContact CE2-CB 4.28Å; F343-A384 HydrophobicContact CD2-CB 3.75Å; F343-A384 HydrophobicContact CE2-CB 3.77Å; V380-A384 WeakPolarHBondContact O-CA 3.47Å; V380-A384 WeakPolarHBondContact O-CB 3.49Å; V380-A384 PolarHBondContact O-N 2.76Å; A384-Y386 VanDerWaalsContact C-N 3.31Å; A384-Y386 PolarHBondContact O-N 3.46Å; A384-W390 HydrophobicContact CB-CZ2 4.28Å; A384-W390 PolarHBondContact O-NE1 3.12Å; A384-H416 HydrophobicContact CB-CB 4.42Å
385	L	97.3	Very high	98.1	Very high	60 Å²	60	19.1 Å²	19.1	31%	0.314	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	2.2	-179.3	-56.3	-175.1	0	0	0	114.6	F343 V345 C383	F343-L385 HydrophobicContact CE2-CD1 4.45Å; F343-L385 HydrophobicContact CE2-CD2 4.2Å; F343-L385 HydrophobicContact CE2-CG 3.97Å; F343-L385 HydrophobicContact CZ-CD2 4.36Å; F343-L385 HydrophobicContact CZ-CG 4.38Å; V345-L385 HydrophobicContact CB-CD1 4.47Å; C383-L385 PolarHBondContact O-N 2.96Å
386	Y	98.1	Very high	98.1	Very high	45 Å²	45	20.5 Å²	20.5	18%	0.176	9%	0.093	C	C	.	.			trans	-111.5	102	-176.1	-62.3	-84.3	0	0	0	110.8	P347 L348 L353 C383 A384 E388 F389	P347-Y386 VanDerWaalsContact CA-OH 3.27Å; P347-Y386 WeakPolarHBondContact CA-OH 3.17Å; L348-Y386 HydrophobicContact CB-CE2 4.27Å; L348-Y386 HydrophobicContact CD1-CE2 4.22Å; L348-Y386 HydrophobicContact CG-CE2 4.35Å; L348-Y386 PolarHBondContact N-OH 3.27Å; L348-Y386 PolarHBondContact O-OH 3.47Å; L353-Y386 HydrophobicContact CD1-CD1 4.09Å; L353-Y386 HydrophobicContact CD1-CE1 3.71Å; L353-Y386 HydrophobicContact CD2-CD1 4.15Å; L353-Y386 HydrophobicContact CD2-CD2 4.01Å; L353-Y386 HydrophobicContact CD2-CE1 4.01Å; L353-Y386 HydrophobicContact CD2-CE2 3.88Å; L353-Y386 HydrophobicContact CD2-CG 4.14Å; C383-Y386 HydrophobicContact CB-CD2 3.91Å; C383-Y386 WeakPolarHBondContact O-CB 3.3Å; C383-Y386 WeakPolarHBondContact O-CD2 3.43Å; C383-Y386 PolarHBondContact O-N 3.45Å; A384-Y386 VanDerWaalsContact C-N 3.31Å; A384-Y386 PolarHBondContact O-N 3.46Å; Y386-E388 PolarHBondContact O-N 3.02Å; Y386-E388 VanDerWaalsContact O-N 3.08Å; Y386-F389 PolarHBondContact O-N 3.18Å
387	E	97.9	Very high	98	Very high	11 Å²	11	20.7 Å²	20.7	5%	0.051	9%	0.094	C	C	.	.	H	α-helix	trans	-57.2	-27.4	-176.3	67.5	-162	119.9	0	0	114	F389 W390 I391 L417 K420 M422 Y654	E387-F389 VanDerWaalsContact C-N 3.33Å; E387-F389 PolarHBondContact O-N 3.42Å; E387-W390 PolarHBondContact O-N 2.98Å; E387-I391 HydrophobicContact CB-CD1 4.36Å; E387-I391 HydrophobicContact CG-CD1 4.37Å; E387-I391 WeakPolarHBondContact O-CB 3.27Å; E387-I391 WeakPolarHBondContact O-CD1 3.21Å; E387-I391 WeakPolarHBondContact O-CG1 3.42Å; E387-I391 PolarHBondContact O-N 3.33Å; E387-L417 HydrophobicContact CB-CD1 3.82Å; E387-K420 IonicContact OE1-NZ 2.81Å; E387-K420 PolarHBondContact OE1-NZ 2.92Å; E387-M422 WeakPolarHBondContact OE2-CB 3.34Å; E387-Y654 PolarHBondContact OE1-OH 3.43Å; E387-Y654 VanDerWaalsContact OE1-OH 3.06Å
388	E	98.1	Very high	97.9	Very high	103 Å²	103	23.4 Å²	23.4	48%	0.481	11%	0.107	S	C	.	.	H	α-helix	trans	-60.7	-34.9	179.4	64.6	-167.2	-156.4	0	0	114.2	Y386 K392	Y386-E388 PolarHBondContact O-N 3.02Å; Y386-E388 VanDerWaalsContact O-N 3.08Å; E388-K392 WeakPolarHBondContact O-CB 3.43Å; E388-K392 PolarHBondContact O-N 2.83Å
389	F	98.6	Very high	97.6	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-76.8	-40.6	179.3	-67.5	-78.5	0	0	0	111.8	L353 W356 K357 L360 C379 C383 Y386 E387 I391 K392 Y393	L353-F389 HydrophobicContact CB-CE2 4.47Å; L353-F389 HydrophobicContact CB-CZ 4.28Å; L353-F389 HydrophobicContact CD2-CE2 3.88Å; L353-F389 HydrophobicContact CD2-CZ 4.35Å; W356-F389 HydrophobicContact CB-CE1 3.82Å; W356-F389 HydrophobicContact CB-CZ 4.07Å; K357-F389 HydrophobicContact CB-CE1 4.32Å; L360-F389 HydrophobicContact CD1-CD1 3.89Å; L360-F389 HydrophobicContact CD1-CE1 4.25Å; C379-F389 WeakPolarHBondContact SG-CD1 3.36Å; C383-F389 HydrophobicContact CB-CD2 3.82Å; C383-F389 HydrophobicContact CB-CE2 4.22Å; C383-F389 HydrophobicContact CB-CG 4.31Å; Y386-F389 PolarHBondContact O-N 3.18Å; E387-F389 VanDerWaalsContact C-N 3.33Å; E387-F389 PolarHBondContact O-N 3.42Å; F389-I391 VanDerWaalsContact C-N 3.35Å; F389-I391 PolarHBondContact O-N 2.67Å; F389-K392 PolarHBondContact O-N 2.68Å; F389-Y393 WeakPolarHBondContact O-CB 3.48Å; F389-Y393 PolarHBondContact O-N 3.43Å
390	W	98.7	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-44.3	173	-65.1	96.6	0	0	0	111.8	V380 A384 E387 K392 Y393 A394 V408 R411 A412 H416 L417	V380-W390 HydrophobicContact CB-CD2 4.28Å; V380-W390 HydrophobicContact CB-CE3 4.36Å; V380-W390 HydrophobicContact CB-CH2 3.92Å; V380-W390 HydrophobicContact CB-CZ2 3.79Å; V380-W390 HydrophobicContact CB-CZ3 4.2Å; V380-W390 HydrophobicContact CG1-CD2 3.98Å; V380-W390 HydrophobicContact CG1-CE3 4.08Å; V380-W390 HydrophobicContact CG1-CG 4.48Å; V380-W390 HydrophobicContact CG1-CZ2 4.41Å; V380-W390 HydrophobicContact CG1-CZ3 4.36Å; V380-W390 HydrophobicContact CG2-CH2 4.05Å; V380-W390 HydrophobicContact CG2-CZ2 4.4Å; V380-W390 HydrophobicContact CG2-CZ3 4.26Å; A384-W390 HydrophobicContact CB-CZ2 4.28Å; A384-W390 PolarHBondContact O-NE1 3.12Å; E387-W390 PolarHBondContact O-N 2.98Å; W390-K392 VanDerWaalsContact C-N 3.34Å; W390-K392 PolarHBondContact O-N 2.9Å; W390-Y393 PolarHBondContact O-N 2.94Å; W390-A394 WeakPolarHBondContact O-CB 3.3Å; W390-A394 PolarHBondContact O-N 3.49Å; W390-V408 HydrophobicContact CE3-CG1 4.12Å; W390-R411 HydrophobicContact CH2-CB 4.14Å; W390-R411 HydrophobicContact CZ3-CB 3.86Å; W390-A412 HydrophobicContact CB-CB 3.89Å; W390-A412 HydrophobicContact CD2-CB 3.6Å; W390-A412 HydrophobicContact CE3-CB 3.62Å; W390-A412 HydrophobicContact CG-CB 3.74Å; W390-A412 HydrophobicContact CZ3-CB 4.33Å; W390-H416 AromaticContact CH2-CD2 3.48Å; W390-H416 VanDerWaalsContact CH2-CD2 3.48Å; W390-H416 WeakPolarHBondContact CH2-CD2 3.46Å; W390-H416 AromaticContact CH2-NE2 3.89Å; W390-H416 HydrophobicContact CZ2-CB 4.35Å; W390-H416 AromaticContact CZ2-CD2 3.27Å; W390-H416 WeakPolarHBondContact CZ2-CD2 3.3Å; W390-H416 AromaticContact CZ2-CG 3.94Å; W390-H416 AromaticContact CZ2-NE2 3.9Å; W390-L417 HydrophobicContact CG-CD1 4.29Å
391	I	98.6	Very high	97.3	Very high	22 Å²	22	35.1 Å²	35.1	11%	0.113	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-41.4	177.1	-68.5	164.8	0	0	0	110.6	E387 F389 Y393 K395 M422 V423 L426	E387-I391 HydrophobicContact CB-CD1 4.36Å; E387-I391 HydrophobicContact CG-CD1 4.37Å; E387-I391 WeakPolarHBondContact O-CB 3.27Å; E387-I391 WeakPolarHBondContact O-CD1 3.21Å; E387-I391 WeakPolarHBondContact O-CG1 3.42Å; E387-I391 PolarHBondContact O-N 3.33Å; F389-I391 VanDerWaalsContact C-N 3.35Å; F389-I391 PolarHBondContact O-N 2.67Å; I391-Y393 VanDerWaalsContact C-N 3.33Å; I391-K395 HydrophobicContact CG2-CD 4.42Å; I391-K395 VanDerWaalsContact O-CG 3.28Å; I391-K395 WeakPolarHBondContact O-CG 3.31Å; I391-K395 PolarHBondContact O-N 3.28Å; I391-K395 VanDerWaalsContact O-N 3.08Å; I391-M422 HydrophobicContact CD1-CG 4.26Å; I391-V423 HydrophobicContact CG1-CG2 4.39Å; I391-L426 HydrophobicContact CB-CD1 4.41Å; I391-L426 HydrophobicContact CD1-CD1 3.65Å; I391-L426 HydrophobicContact CG1-CD1 3.71Å; I391-L426 HydrophobicContact CG2-CD1 3.8Å
392	K	98.6	Very high	97.2	Very high	44 Å²	44	38.3 Å²	38.3	19%	0.191	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-38.6	176.9	-169.9	172.2	-177.8	175.6	0	111.7	E361 F376 E388 F389 W390 K395 Y396	E361-K392 IonicContact OE1-NZ 3.9Å; E361-K392 PolarHBondContact OE1-NZ 2.94Å; F376-K392 HydrophobicContact CE1-CB 4.39Å; F376-K392 HydrophobicContact CE1-CG 4.25Å; F376-K392 HydrophobicContact CZ-CG 4.17Å; E388-K392 WeakPolarHBondContact O-CB 3.43Å; E388-K392 PolarHBondContact O-N 2.83Å; F389-K392 PolarHBondContact O-N 2.68Å; W390-K392 VanDerWaalsContact C-N 3.34Å; W390-K392 PolarHBondContact O-N 2.9Å; K392-K395 PolarHBondContact O-N 3.37Å; K392-Y396 PolarHBondContact O-N 3.08Å
393	Y	98.6	Very high	97.2	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-65.9	-48	177.1	-173.2	-162.8	0	0	0	111.7	F376 E377 V380 F389 W390 I391 K395 Y396 M397 V408	F376-Y393 HydrophobicContact CB-CD1 4.11Å; F376-Y393 HydrophobicContact CB-CD2 3.54Å; F376-Y393 HydrophobicContact CB-CE1 4.13Å; F376-Y393 HydrophobicContact CB-CE2 3.59Å; F376-Y393 HydrophobicContact CB-CG 3.83Å; F376-Y393 HydrophobicContact CD1-CD1 4.49Å; F376-Y393 AromaticContact CD1-CD2 3.82Å; F376-Y393 HydrophobicContact CD1-CD2 3.82Å; F376-Y393 AromaticContact CD1-CG 3.71Å; F376-Y393 HydrophobicContact CD1-CG 3.71Å; F376-Y393 AromaticContact CD2-CD2 3.67Å; F376-Y393 HydrophobicContact CD2-CD2 3.67Å; F376-Y393 HydrophobicContact CD2-CE2 4.12Å; F376-Y393 HydrophobicContact CD2-CG 4.42Å; F376-Y393 HydrophobicContact CE1-CD2 4.4Å; F376-Y393 HydrophobicContact CE1-CG 4.34Å; F376-Y393 HydrophobicContact CE2-CD2 4.28Å; F376-Y393 HydrophobicContact CG-CD1 4.49Å; F376-Y393 AromaticContact CG-CD2 3.41Å; F376-Y393 HydrophobicContact CG-CD2 3.41Å; F376-Y393 VanDerWaalsContact CG-CD2 3.41Å; F376-Y393 AromaticContact CG-CE2 3.93Å; F376-Y393 HydrophobicContact CG-CE2 3.93Å; F376-Y393 AromaticContact CG-CG 3.76Å; F376-Y393 HydrophobicContact CG-CG 3.76Å; E377-Y393 WeakPolarHBondContact OE1-CE1 3.44Å; E377-Y393 PolarHBondContact OE1-OH 2.67Å; V380-Y393 HydrophobicContact CG1-CD1 4.14Å; F389-Y393 WeakPolarHBondContact O-CB 3.48Å; F389-Y393 PolarHBondContact O-N 3.43Å; W390-Y393 PolarHBondContact O-N 2.94Å; I391-Y393 VanDerWaalsContact C-N 3.33Å; Y393-K395 VanDerWaalsContact C-N 3.29Å; Y393-K395 PolarHBondContact O-N 3.42Å; Y393-Y396 WeakPolarHBondContact O-CB 3.47Å; Y393-Y396 PolarHBondContact O-N 2.69Å; Y393-Y396 VanDerWaalsContact O-N 3.07Å; Y393-M397 HydrophobicContact CD2-CG 3.81Å; Y393-M397 HydrophobicContact CD2-SD 4.49Å; Y393-M397 HydrophobicContact CE2-CG 3.62Å; Y393-M397 HydrophobicContact CE2-SD 3.85Å; Y393-M397 WeakPolarHBondContact O-CG 3.48Å; Y393-M397 PolarHBondContact O-N 3.24Å; Y393-V408 HydrophobicContact CD1-CB 4.41Å; Y393-V408 HydrophobicContact CD1-CG1 3.78Å; Y393-V408 HydrophobicContact CD1-CG2 3.64Å; Y393-V408 HydrophobicContact CE1-CG1 4.43Å; Y393-V408 HydrophobicContact CE1-CG2 3.49Å; Y393-V408 VanDerWaalsContact CE1-CG2 3.49Å; Y393-V408 HydrophobicContact CE2-CG2 4.41Å; Y393-V408 HydrophobicContact CG-CG1 4.16Å; Y393-V408 HydrophobicContact CG-CG2 4.18Å
394	A	98.4	Very high	97.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.5	-44.8	174.6	0	0	0	0	0	111.6	W390 Y396 M397 E398 V405 V408 F409	W390-A394 WeakPolarHBondContact O-CB 3.3Å; W390-A394 PolarHBondContact O-N 3.49Å; A394-Y396 VanDerWaalsContact C-N 3.34Å; A394-Y396 PolarHBondContact O-N 2.87Å; A394-M397 CarbonylContact O-C 3.17Å; A394-M397 PolarHBondContact O-N 3.38Å; A394-M397 VanDerWaalsContact O-N 3.14Å; A394-E398 WeakPolarHBondContact O-CG 3.43Å; A394-E398 PolarHBondContact O-N 3.02Å; A394-V405 HydrophobicContact CB-CG1 4.26Å; A394-V405 WeakPolarHBondContact O-CG2 3.44Å; A394-V408 HydrophobicContact CB-CG1 4.07Å; A394-F409 HydrophobicContact CB-CD1 4.41Å; A394-F409 HydrophobicContact CB-CD2 4.24Å; A394-F409 HydrophobicContact CB-CE1 3.88Å; A394-F409 HydrophobicContact CB-CE2 3.7Å; A394-F409 HydrophobicContact CB-CZ 3.48Å; A394-F409 VanDerWaalsContact CB-CZ 3.48Å
395	K	97.5	Very high	97.2	Very high	54 Å²	54	43.5 Å²	43.5	24%	0.235	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-36.9	175.9	-73.2	176.7	-174.4	-162.6	0	114.1	I391 K392 Y393 M397	I391-K395 HydrophobicContact CG2-CD 4.42Å; I391-K395 VanDerWaalsContact O-CG 3.28Å; I391-K395 WeakPolarHBondContact O-CG 3.31Å; I391-K395 PolarHBondContact O-N 3.28Å; I391-K395 VanDerWaalsContact O-N 3.08Å; K392-K395 PolarHBondContact O-N 3.37Å; Y393-K395 VanDerWaalsContact C-N 3.29Å; Y393-K395 PolarHBondContact O-N 3.42Å; K395-M397 VanDerWaalsContact C-N 3.34Å
396	Y	97.9	Very high	97.2	Very high	33 Å²	33	43.1 Å²	43.1	13%	0.129	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-47.5	173.4	174.9	-101.2	0	0	0	109.6	I364 H369 V372 V373 F376 K392 Y393 A394 E398 N399 H400	I364-Y396 HydrophobicContact CD1-CD2 4.43Å; I364-Y396 HydrophobicContact CG1-CD2 4.07Å; I364-Y396 HydrophobicContact CG1-CE2 4.2Å; I364-Y396 HydrophobicContact CG2-CD2 4.44Å; I364-Y396 HydrophobicContact CG2-CE2 4.42Å; H369-Y396 AromaticContact CE1-CE1 3.91Å; H369-Y396 AromaticContact ND1-CE1 3.64Å; H369-Y396 AromaticContact ND1-CZ 3.67Å; H369-Y396 PolarHBondContact ND1-OH 3.2Å; V372-Y396 HydrophobicContact CB-CE1 4.17Å; V372-Y396 HydrophobicContact CB-CE2 4.47Å; V372-Y396 HydrophobicContact CG1-CD1 4.03Å; V372-Y396 HydrophobicContact CG1-CD2 4.17Å; V372-Y396 HydrophobicContact CG1-CE1 3.51Å; V372-Y396 HydrophobicContact CG1-CE2 3.68Å; V372-Y396 HydrophobicContact CG1-CG 4.33Å; V373-Y396 HydrophobicContact CG2-CE1 4.2Å; F376-Y396 HydrophobicContact CD2-CD1 4.14Å; F376-Y396 HydrophobicContact CD2-CG 4.43Å; F376-Y396 AromaticContact CE2-CD1 3.92Å; F376-Y396 HydrophobicContact CE2-CD1 3.92Å; F376-Y396 HydrophobicContact CE2-CD2 4.36Å; F376-Y396 AromaticContact CE2-CG 3.75Å; F376-Y396 HydrophobicContact CE2-CG 3.75Å; K392-Y396 PolarHBondContact O-N 3.08Å; Y393-Y396 WeakPolarHBondContact O-CB 3.47Å; Y393-Y396 PolarHBondContact O-N 2.69Å; Y393-Y396 VanDerWaalsContact O-N 3.07Å; A394-Y396 VanDerWaalsContact C-N 3.34Å; A394-Y396 PolarHBondContact O-N 2.87Å; Y396-E398 VanDerWaalsContact C-N 3.29Å; Y396-E398 PolarHBondContact O-N 2.9Å; Y396-N399 PolarHBondContact O-N 3.32Å; Y396-H400 AromaticContact CE1-CD2 3.71Å; Y396-H400 AromaticContact CE1-NE2 3.91Å; Y396-H400 AromaticContact CE2-NE2 3.56Å; Y396-H400 AromaticContact CZ-CD2 3.67Å; Y396-H400 AromaticContact CZ-NE2 3.35Å; Y396-H400 VanDerWaalsContact CZ-NE2 3.35Å; Y396-H400 PolarHBondContact O-CD2 3.28Å; Y396-H400 PolarHBondContact OH-NE2 3.14Å
397	M	97.8	Very high	97.2	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-21.9	-179.5	-65.2	-56.3	-69.7	0	0	114.4	V373 Y393 A394 K395 N399 H400 S401 V405	V373-M397 HydrophobicContact CG2-SD 4.14Å; Y393-M397 HydrophobicContact CD2-CG 3.81Å; Y393-M397 HydrophobicContact CD2-SD 4.49Å; Y393-M397 HydrophobicContact CE2-CG 3.62Å; Y393-M397 HydrophobicContact CE2-SD 3.85Å; Y393-M397 WeakPolarHBondContact O-CG 3.48Å; Y393-M397 PolarHBondContact O-N 3.24Å; A394-M397 CarbonylContact O-C 3.17Å; A394-M397 PolarHBondContact O-N 3.38Å; A394-M397 VanDerWaalsContact O-N 3.14Å; K395-M397 VanDerWaalsContact C-N 3.34Å; M397-N399 PolarHBondContact O-N 2.8Å; M397-N399 VanDerWaalsContact O-N 3.13Å; M397-H400 PolarHBondContact O-N 3.19Å; M397-S401 PolarHBondContact O-N 3.18Å; M397-V405 HydrophobicContact CB-CG2 3.61Å
398	E	95.1	Very high	97.2	Very high	75 Å²	75	44.4 Å²	44.4	35%	0.35	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.6	176.7	-79.3	171.4	-178.2	0	0	113.1	A394 Y396 V405	A394-E398 WeakPolarHBondContact O-CG 3.43Å; A394-E398 PolarHBondContact O-N 3.02Å; Y396-E398 VanDerWaalsContact C-N 3.29Å; Y396-E398 PolarHBondContact O-N 2.9Å; E398-V405 HydrophobicContact CB-CG2 4.4Å; E398-V405 HydrophobicContact CG-CG2 3.98Å; E398-V405 VanDerWaalsContact N-CG2 3.32Å
399	N	91.9	Very high	97.3	Very high	145 Å²	145	39.8 Å²	39.8	78%	0.775	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-5.2	178.5	-66.3	-29	0	0	0	113.8	Y396 M397	Y396-N399 PolarHBondContact O-N 3.32Å; M397-N399 PolarHBondContact O-N 2.8Å; M397-N399 VanDerWaalsContact O-N 3.13Å
400	H	95	Very high	97.2	Very high	89 Å²	89	41.7 Å²	41.7	41%	0.412	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-50.5	-171.4	-66.8	-67.6	0	0	0	112.7	H369 Y396 M397	H369-H400 AromaticContact CE1-CD2 3.82Å; H369-H400 AromaticContact CE1-CG 3.56Å; H369-H400 AromaticContact CE1-ND1 3.85Å; H369-H400 AromaticContact ND1-CD2 3.82Å; H369-H400 AromaticContact ND1-CE1 3.76Å; H369-H400 AromaticContact ND1-CG 3.8Å; H369-H400 AromaticContact ND1-ND1 3.75Å; H369-H400 AromaticContact ND1-NE2 3.82Å; Y396-H400 AromaticContact CE1-CD2 3.71Å; Y396-H400 AromaticContact CE1-NE2 3.91Å; Y396-H400 AromaticContact CE2-NE2 3.56Å; Y396-H400 AromaticContact CZ-CD2 3.67Å; Y396-H400 AromaticContact CZ-NE2 3.35Å; Y396-H400 VanDerWaalsContact CZ-NE2 3.35Å; Y396-H400 PolarHBondContact O-CD2 3.28Å; Y396-H400 PolarHBondContact OH-NE2 3.14Å; M397-H400 PolarHBondContact O-N 3.19Å
401	S	95.8	Very high	97.2	Very high	28 Å²	28	43 Å²	43	20%	0.196	21%	0.21	C	C	.	.			trans	-154.5	119.1	-176.8	177	0	0	0	0	111.9	M397 E403 G404 V405	M397-S401 PolarHBondContact O-N 3.18Å; S401-E403 VanDerWaalsContact C-N 3.28Å; S401-E403 PolarHBondContact O-N 3.35Å; S401-E403 PolarHBondContact OG-N 2.99Å; S401-G404 PolarHBondContact O-N 2.88Å; S401-G404 PolarHBondContact OG-N 2.92Å; S401-G404 VanDerWaalsContact OG-N 3.1Å; S401-V405 WeakPolarHBondContact O-CG2 3.4Å; S401-V405 PolarHBondContact O-N 2.74Å
402	I	96.1	Very high	97.2	Very high	78 Å²	78	42 Å²	42	40%	0.4	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-41.2	175.7	-59.2	173	0	0	0	110.3	V405 R406 F430 Q434	I402-V405 WeakPolarHBondContact O-CB 3.46Å; I402-V405 PolarHBondContact O-N 2.67Å; I402-R406 PolarHBondContact O-N 3.5Å; I402-R406 VanDerWaalsContact O-N 3.15Å; I402-F430 HydrophobicContact CG2-CZ 3.72Å; I402-Q434 HydrophobicContact CG2-CG 3.94Å
403	E	96.3	Very high	97.1	Very high	109 Å²	109	40 Å²	40	51%	0.509	20%	0.195	S	C	.	.	H	α-helix	trans	-70.8	-36.3	179.3	-165.7	53.3	-143.7	0	0	111.8	S401 V405 R406 H407	S401-E403 VanDerWaalsContact C-N 3.28Å; S401-E403 PolarHBondContact O-N 3.35Å; S401-E403 PolarHBondContact OG-N 2.99Å; E403-V405 VanDerWaalsContact C-N 3.3Å; E403-V405 PolarHBondContact O-N 3.22Å; E403-R406 WeakPolarHBondContact O-CB 2.72Å; E403-R406 PolarHBondContact O-N 3.37Å; E403-R406 VanDerWaalsContact O-N 3.15Å; E403-R406 IonicContact OE2-CZ 3.06Å; E403-R406 IonicContact OE2-NH1 3.16Å; E403-R406 PolarHBondContact OE2-NH1 3.32Å; E403-H407 PolarHBondContact O-N 3.48Å
404	G	96.8	Very high	97	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-56.9	-43.2	170.3	0	0	0	0	0	112.2	S401 R406 H407 V408	S401-G404 PolarHBondContact O-N 2.88Å; S401-G404 PolarHBondContact OG-N 2.92Å; S401-G404 VanDerWaalsContact OG-N 3.1Å; G404-R406 PolarHBondContact O-N 3Å; G404-H407 PolarHBondContact O-N 2.81Å; G404-V408 VanDerWaalsContact O-CG2 3.26Å; G404-V408 WeakPolarHBondContact O-CG2 3.42Å; G404-V408 PolarHBondContact O-N 3.07Å
405	V	98.4	Very high	96.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-43.8	175.3	179.8	0	0	0	0	111.8	A394 M397 E398 S401 I402 E403 V408 F409 F430	A394-V405 HydrophobicContact CB-CG1 4.26Å; A394-V405 WeakPolarHBondContact O-CG2 3.44Å; M397-V405 HydrophobicContact CB-CG2 3.61Å; E398-V405 HydrophobicContact CB-CG2 4.4Å; E398-V405 HydrophobicContact CG-CG2 3.98Å; E398-V405 VanDerWaalsContact N-CG2 3.32Å; S401-V405 WeakPolarHBondContact O-CG2 3.4Å; S401-V405 PolarHBondContact O-N 2.74Å; I402-V405 WeakPolarHBondContact O-CB 3.46Å; I402-V405 PolarHBondContact O-N 2.67Å; E403-V405 VanDerWaalsContact C-N 3.3Å; E403-V405 PolarHBondContact O-N 3.22Å; V405-V408 PolarHBondContact O-N 3.17Å; V405-F409 HydrophobicContact CG1-CD2 3.55Å; V405-F409 HydrophobicContact CG1-CE2 3.43Å; V405-F409 VanDerWaalsContact CG1-CE2 3.43Å; V405-F409 WeakPolarHBondContact O-CD2 3.1Å; V405-F409 PolarHBondContact O-N 3.35Å; V405-F430 HydrophobicContact CB-CD2 4.48Å; V405-F430 HydrophobicContact CB-CE1 4.28Å; V405-F430 HydrophobicContact CB-CE2 3.76Å; V405-F430 HydrophobicContact CB-CZ 3.63Å; V405-F430 HydrophobicContact CG1-CD1 4.13Å; V405-F430 HydrophobicContact CG1-CD2 3.62Å; V405-F430 HydrophobicContact CG1-CE1 3.96Å; V405-F430 HydrophobicContact CG1-CE2 3.39Å; V405-F430 HydrophobicContact CG1-CG 3.97Å; V405-F430 HydrophobicContact CG1-CZ 3.56Å; V405-F430 HydrophobicContact CG2-CE2 4.23Å; V405-F430 HydrophobicContact CG2-CZ 4.46Å
406	R	98.1	Very high	96.7	Very high	53 Å²	53	44.3 Å²	44.3	20%	0.2	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-48	175.5	-70.7	-165.5	-172.9	96	5.7	111.6	I402 E403 G404 V408 F409 S410 F430 E431 N436	I402-R406 PolarHBondContact O-N 3.5Å; I402-R406 VanDerWaalsContact O-N 3.15Å; E403-R406 WeakPolarHBondContact O-CB 2.72Å; E403-R406 PolarHBondContact O-N 3.37Å; E403-R406 VanDerWaalsContact O-N 3.15Å; E403-R406 IonicContact OE2-CZ 3.06Å; E403-R406 IonicContact OE2-NH1 3.16Å; E403-R406 PolarHBondContact OE2-NH1 3.32Å; G404-R406 PolarHBondContact O-N 3Å; R406-V408 PolarHBondContact O-N 3.42Å; R406-F409 PolarHBondContact O-N 3.12Å; R406-S410 VanDerWaalsContact O-CB 3.25Å; R406-S410 WeakPolarHBondContact O-CB 3.36Å; R406-S410 PolarHBondContact O-N 2.88Å; R406-F430 HydrophobicContact CG-CE1 3.58Å; R406-F430 HydrophobicContact CG-CZ 4.29Å; R406-E431 WeakPolarHBondContact CD-OE1 3.4Å; R406-E431 WeakPolarHBondContact CG-OE1 3.35Å; R406-E431 IonicContact NE-OE1 2.69Å; R406-E431 PolarHBondContact NE-OE1 3.34Å; R406-E431 IonicContact NE-OE2 3.25Å; R406-E431 PolarHBondContact NE-OE2 2.84Å; R406-N436 PolarHBondContact NE-ND2 2.97Å; R406-N436 PolarHBondContact NH2-ND2 3.23Å
407	H	97.2	Very high	96.6	Very high	81 Å²	81	43.1 Å²	43.1	38%	0.375	22%	0.22	S	C	.	.	H	α-helix	trans	-61.4	-44.2	-179.4	-173.2	68.9	0	0	0	111.7	M36 E403 G404 S410 R411	M36-H407 HydrophobicContact SD-CB 4.44Å; E403-H407 PolarHBondContact O-N 3.48Å; G404-H407 PolarHBondContact O-N 2.81Å; H407-S410 PolarHBondContact O-N 3.41Å; H407-R411 WeakPolarHBondContact NE2-CD 3.36Å; H407-R411 PolarHBondContact O-N 2.93Å
408	V	98.5	Very high	96.5	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-49.2	176	171.2	0	0	0	0	111.4	W390 Y393 A394 G404 V405 R406 A412	W390-V408 HydrophobicContact CE3-CG1 4.12Å; Y393-V408 HydrophobicContact CD1-CB 4.41Å; Y393-V408 HydrophobicContact CD1-CG1 3.78Å; Y393-V408 HydrophobicContact CD1-CG2 3.64Å; Y393-V408 HydrophobicContact CE1-CG1 4.43Å; Y393-V408 HydrophobicContact CE1-CG2 3.49Å; Y393-V408 VanDerWaalsContact CE1-CG2 3.49Å; Y393-V408 HydrophobicContact CE2-CG2 4.41Å; Y393-V408 HydrophobicContact CG-CG1 4.16Å; Y393-V408 HydrophobicContact CG-CG2 4.18Å; A394-V408 HydrophobicContact CB-CG1 4.07Å; G404-V408 VanDerWaalsContact O-CG2 3.26Å; G404-V408 WeakPolarHBondContact O-CG2 3.42Å; G404-V408 PolarHBondContact O-N 3.07Å; V405-V408 PolarHBondContact O-N 3.17Å; R406-V408 PolarHBondContact O-N 3.42Å; V408-A412 WeakPolarHBondContact O-CB 3.34Å; V408-A412 PolarHBondContact O-N 3.42Å
409	F	98.6	Very high	96.4	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-40.8	178.4	-81.3	-54.2	0	0	0	112.7	A394 V405 R406 A412 C413 V423 L426 W427 F430	A394-F409 HydrophobicContact CB-CD1 4.41Å; A394-F409 HydrophobicContact CB-CD2 4.24Å; A394-F409 HydrophobicContact CB-CE1 3.88Å; A394-F409 HydrophobicContact CB-CE2 3.7Å; A394-F409 HydrophobicContact CB-CZ 3.48Å; A394-F409 VanDerWaalsContact CB-CZ 3.48Å; V405-F409 HydrophobicContact CG1-CD2 3.55Å; V405-F409 HydrophobicContact CG1-CE2 3.43Å; V405-F409 VanDerWaalsContact CG1-CE2 3.43Å; V405-F409 WeakPolarHBondContact O-CD2 3.1Å; V405-F409 PolarHBondContact O-N 3.35Å; R406-F409 PolarHBondContact O-N 3.12Å; F409-A412 PolarHBondContact O-N 3.48Å; F409-C413 VanDerWaalsContact O-CB 3.24Å; F409-C413 WeakPolarHBondContact O-CB 3.46Å; F409-C413 PolarHBondContact O-N 3.42Å; F409-C413 PolarHBondContact O-SG 3.02Å; F409-V423 HydrophobicContact CD1-CG2 3.96Å; F409-V423 HydrophobicContact CE1-CG2 4.21Å; F409-L426 HydrophobicContact CE1-CB 4.06Å; F409-L426 HydrophobicContact CZ-CB 4.11Å; F409-W427 HydrophobicContact CB-CB 3.81Å; F409-W427 HydrophobicContact CB-CD2 3.93Å; F409-W427 HydrophobicContact CB-CG 3.48Å; F409-W427 VanDerWaalsContact CB-CG 3.48Å; F409-W427 HydrophobicContact CD1-CB 3.9Å; F409-W427 HydrophobicContact CD2-CB 4.23Å; F409-W427 AromaticContact CD2-CD1 3.99Å; F409-W427 HydrophobicContact CD2-CG 4.32Å; F409-W427 HydrophobicContact CG-CB 3.74Å; F409-W427 AromaticContact CG-CD1 3.95Å; F409-W427 AromaticContact CG-CG 3.9Å; F409-W427 HydrophobicContact CG-CG 3.9Å; F409-F430 HydrophobicContact CD2-CB 4.49Å; F409-F430 HydrophobicContact CD2-CD1 4.42Å; F409-F430 HydrophobicContact CD2-CG 4.43Å; F409-F430 HydrophobicContact CE2-CB 4.02Å; F409-F430 HydrophobicContact CE2-CG 4.16Å
410	S	98	Very high	96.6	Very high	43 Å²	43	42.5 Å²	42.5	30%	0.301	21%	0.212	S	C	.	.	H	α-helix	trans	-58.5	-51.1	177.3	-180	0	0	0	0	110.8	R406 H407 A412 C413 T414	R406-S410 VanDerWaalsContact O-CB 3.25Å; R406-S410 WeakPolarHBondContact O-CB 3.36Å; R406-S410 PolarHBondContact O-N 2.88Å; H407-S410 PolarHBondContact O-N 3.41Å; S410-A412 PolarHBondContact O-N 3.14Å; S410-C413 PolarHBondContact O-N 2.83Å; S410-T414 WeakPolarHBondContact O-CB 3.31Å; S410-T414 WeakPolarHBondContact O-CG2 3.24Å; S410-T414 PolarHBondContact O-N 2.95Å; S410-T414 PolarHBondContact O-OG1 3.35Å
411	R	97.8	Very high	96.6	Very high	29 Å²	29	40 Å²	40	11%	0.109	20%	0.204	C	C	.	.	H	α-helix	trans	-59.1	-45.5	175.8	-76.5	170	56.7	-147.2	11.2	112.2	Y127 E377 W390 H407 C413 I415 H416	Y127-R411 PolarHBondContact OH-NE 2.98Å; Y127-R411 PolarHBondContact OH-NH2 3.11Å; E377-R411 IonicContact OE1-CZ 3.88Å; E377-R411 IonicContact OE1-NH1 3.78Å; E377-R411 PolarHBondContact OE1-NH1 3.24Å; E377-R411 IonicContact OE1-NH2 3.52Å; E377-R411 IonicContact OE2-CZ 2.7Å; E377-R411 IonicContact OE2-NH1 2.79Å; E377-R411 PolarHBondContact OE2-NH1 3.42Å; E377-R411 VanDerWaalsContact OE2-NH1 3.11Å; E377-R411 IonicContact OE2-NH2 3.59Å; E377-R411 PolarHBondContact OE2-NH2 3Å; W390-R411 HydrophobicContact CH2-CB 4.14Å; W390-R411 HydrophobicContact CZ3-CB 3.86Å; H407-R411 WeakPolarHBondContact NE2-CD 3.36Å; H407-R411 PolarHBondContact O-N 2.93Å; R411-C413 PolarHBondContact O-N 2.74Å; R411-I415 HydrophobicContact CG-CD1 4.39Å; R411-I415 WeakPolarHBondContact O-CB 3.48Å; R411-I415 PolarHBondContact O-N 2.94Å; R411-H416 PolarHBondContact O-CD2 3.15Å; R411-H416 PolarHBondContact O-N 2.87Å
412	A	98.2	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-59.2	-49.3	178.5	0	0	0	0	0	111.5	W390 V408 F409 S410 L417 V423	W390-A412 HydrophobicContact CB-CB 3.89Å; W390-A412 HydrophobicContact CD2-CB 3.6Å; W390-A412 HydrophobicContact CE3-CB 3.62Å; W390-A412 HydrophobicContact CG-CB 3.74Å; W390-A412 HydrophobicContact CZ3-CB 4.33Å; V408-A412 WeakPolarHBondContact O-CB 3.34Å; V408-A412 PolarHBondContact O-N 3.42Å; F409-A412 PolarHBondContact O-N 3.48Å; S410-A412 PolarHBondContact O-N 3.14Å; A412-L417 WeakPolarHBondContact O-CA 3.26Å; A412-L417 VanDerWaalsContact O-CB 3.23Å; A412-L417 WeakPolarHBondContact O-CB 3.4Å; A412-L417 PolarHBondContact O-N 3.49Å; A412-V423 HydrophobicContact CB-CG2 3.92Å
413	C	97.5	Very high	96.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	19%	0.187	C	C	.	.	I	π-helix	trans	-81.7	-39.9	-170.4	-68.5	0	0	0	0	113.7	F409 S410 R411 P418 H424 W427	F409-C413 VanDerWaalsContact O-CB 3.24Å; F409-C413 WeakPolarHBondContact O-CB 3.46Å; F409-C413 PolarHBondContact O-N 3.42Å; F409-C413 PolarHBondContact O-SG 3.02Å; S410-C413 PolarHBondContact O-N 2.83Å; R411-C413 PolarHBondContact O-N 2.74Å; C413-P418 WeakPolarHBondContact O-CA 3.16Å; C413-H424 VanDerWaalsContact CB-CE1 3.47Å; C413-H424 WeakPolarHBondContact CB-CE1 2.99Å; C413-H424 PolarHBondContact O-CE1 3.16Å; C413-H424 PolarHBondContact O-NE2 3.13Å; C413-W427 HydrophobicContact CB-CE3 3.58Å; C413-W427 HydrophobicContact CB-CZ3 3.64Å
414	T	95.9	Very high	96.7	Very high	85 Å²	85	32.7 Å²	32.7	52%	0.521	17%	0.165	S	C	.	.	I	π-helix	trans	-88.6	-27.2	-171.6	65.2	0	0	0	0	113	S410 W427	S410-T414 WeakPolarHBondContact O-CB 3.31Å; S410-T414 WeakPolarHBondContact O-CG2 3.24Å; S410-T414 PolarHBondContact O-N 2.95Å; S410-T414 PolarHBondContact O-OG1 3.35Å; T414-W427 HydrophobicContact CG2-CH2 4.23Å; T414-W427 HydrophobicContact CG2-CZ3 4.26Å
415	I	94.6	Very high	96.7	Very high	49 Å²	49	32.9 Å²	32.9	25%	0.251	17%	0.166	S	C	.	.	I	π-helix	trans	-106.3	-64.9	-176.4	-54.2	175.7	0	0	0	110.3	P126 R411	P126-I415 HydrophobicContact CG-CG2 3.66Å; R411-I415 HydrophobicContact CG-CD1 4.39Å; R411-I415 WeakPolarHBondContact O-CB 3.48Å; R411-I415 PolarHBondContact O-N 2.94Å
416	H	96	Very high	96.6	Very high	18 Å²	18	35.2 Å²	35.2	8%	0.083	18%	0.178	C	C	.	.	I	π-helix	trans	-89.9	-36.4	-162.8	-59.9	-67.1	0	0	0	114.5	Y127 A384 W390 R411	Y127-H416 AromaticContact CD2-CE1 3.6Å; Y127-H416 AromaticContact CD2-NE2 3.99Å; Y127-H416 AromaticContact CE2-CE1 3.41Å; Y127-H416 VanDerWaalsContact CE2-CE1 3.41Å; Y127-H416 WeakPolarHBondContact CE2-CE1 3.49Å; Y127-H416 AromaticContact CE2-NE2 3.31Å; Y127-H416 VanDerWaalsContact CE2-NE2 3.31Å; Y127-H416 WeakPolarHBondContact CE2-NE2 3.48Å; Y127-H416 AromaticContact CZ-CE1 3.7Å; Y127-H416 AromaticContact CZ-NE2 3.31Å; Y127-H416 VanDerWaalsContact CZ-NE2 3.31Å; Y127-H416 PolarHBondContact OH-NE2 2.96Å; A384-H416 HydrophobicContact CB-CB 4.42Å; W390-H416 AromaticContact CH2-CD2 3.48Å; W390-H416 VanDerWaalsContact CH2-CD2 3.48Å; W390-H416 WeakPolarHBondContact CH2-CD2 3.46Å; W390-H416 AromaticContact CH2-NE2 3.89Å; W390-H416 HydrophobicContact CZ2-CB 4.35Å; W390-H416 AromaticContact CZ2-CD2 3.27Å; W390-H416 WeakPolarHBondContact CZ2-CD2 3.3Å; W390-H416 AromaticContact CZ2-CG 3.94Å; W390-H416 AromaticContact CZ2-NE2 3.9Å; R411-H416 PolarHBondContact O-CD2 3.15Å; R411-H416 PolarHBondContact O-N 2.87Å
417	L	96.1	Very high	96.7	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.042	17%	0.172	C	C	.	.			trans	-127.8	46.8	-169.2	-53.1	171.7	0	0	0	113.5	E387 W390 A412 K419 K420 V423 H424	E387-L417 HydrophobicContact CB-CD1 3.82Å; W390-L417 HydrophobicContact CG-CD1 4.29Å; A412-L417 WeakPolarHBondContact O-CA 3.26Å; A412-L417 VanDerWaalsContact O-CB 3.23Å; A412-L417 WeakPolarHBondContact O-CB 3.4Å; A412-L417 PolarHBondContact O-N 3.49Å; L417-K419 PolarHBondContact O-N 3.19Å; L417-K420 HydrophobicContact CB-CB 4.1Å; L417-K420 HydrophobicContact CB-CG 4.12Å; L417-K420 HydrophobicContact CD2-CG 4.14Å; L417-K420 PolarHBondContact O-N 3.4Å; L417-V423 HydrophobicContact CB-CG1 4.24Å; L417-V423 HydrophobicContact CD1-CG1 4.44Å; L417-H424 PolarHBondContact O-NE2 3.26Å; L417-H424 VanDerWaalsContact O-NE2 3.15Å
418	P	94.4	Very high	96.7	Very high	30 Å²	30	30 Å²	30	20%	0.195	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.5	-174.6	27.7	-36.5	0	0	0	114.4	C413 F447	C413-P418 WeakPolarHBondContact O-CA 3.16Å; P418-F447 WeakPolarHBondContact O-CD2 3.4Å; P418-F447 VanDerWaalsContact O-CE2 3.27Å; P418-F447 WeakPolarHBondContact O-CE2 3.4Å
419	K	93.9	Very high	96.7	Very high	104 Å²	104	30.8 Å²	30.8	45%	0.452	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-1.6	-178.5	-59.6	-173.1	-176.5	175.1	0	114.1	L417 P421 V451	L417-K419 PolarHBondContact O-N 3.19Å; K419-P421 WeakPolarHBondContact O-CD 3.25Å; K419-V451 HydrophobicContact CB-CG2 4.17Å; K419-V451 HydrophobicContact CG-CG2 4.26Å
420	K	94.8	Very high	96.7	Very high	78 Å²	78	31 Å²	31	34%	0.339	16%	0.163	S	C	.	.			trans	-91.8	113.3	-176.6	-72.3	-62.3	-154.3	126.7	0	110.6	E387 L417 M422 V423 H424	E387-K420 IonicContact OE1-NZ 2.81Å; E387-K420 PolarHBondContact OE1-NZ 2.92Å; L417-K420 HydrophobicContact CB-CB 4.1Å; L417-K420 HydrophobicContact CB-CG 4.12Å; L417-K420 HydrophobicContact CD2-CG 4.14Å; L417-K420 PolarHBondContact O-N 3.4Å; K420-M422 PolarHBondContact O-N 3.16Å; K420-V423 HydrophobicContact CB-CG1 4.23Å; K420-V423 WeakPolarHBondContact O-CG1 3.34Å; K420-H424 PolarHBondContact O-CD2 3.05Å
421	P	95	Very high	96.7	Very high	37 Å²	37	29.1 Å²	29.1	24%	0.24	15%	0.149	C	C	.	.	H	α-helix	trans	-70	-34.4	-169.1	25.7	-34	0	0	0	114.1	K419 V423 H424 M425 F447 L454 M456	K419-P421 WeakPolarHBondContact O-CD 3.25Å; P421-V423 PolarHBondContact O-N 2.93Å; P421-H424 PolarHBondContact O-N 3.02Å; P421-M425 WeakPolarHBondContact O-CB 3.46Å; P421-M425 WeakPolarHBondContact O-CG 3.46Å; P421-M425 PolarHBondContact O-N 2.89Å; P421-F447 VanDerWaalsContact CA-CZ 3.4Å; P421-F447 HydrophobicContact CB-CE1 3.75Å; P421-F447 HydrophobicContact CB-CZ 3.7Å; P421-L454 HydrophobicContact CB-CD1 4.31Å; P421-M456 HydrophobicContact CB-CE 3.82Å; P421-M456 HydrophobicContact CB-SD 3.89Å; P421-M456 HydrophobicContact CG-CE 4.4Å; P421-M456 HydrophobicContact CG-SD 4.16Å
422	M	95.7	Very high	96.6	Very high	49 Å²	49	29.4 Å²	29.4	24%	0.241	15%	0.152	C	C	.	.	H	α-helix	trans	-65.2	-43.3	-169.7	-171.4	61	72.6	0	0	112.2	E387 I391 K420 M425 L426	E387-M422 WeakPolarHBondContact OE2-CB 3.34Å; I391-M422 HydrophobicContact CD1-CG 4.26Å; K420-M422 PolarHBondContact O-N 3.16Å; M422-M425 PolarHBondContact O-N 2.79Å; M422-L426 HydrophobicContact CG-CD1 4.15Å; M422-L426 WeakPolarHBondContact O-CG 3.4Å; M422-L426 PolarHBondContact O-N 2.93Å
423	V	97.1	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.2	-40.4	-179.5	67	0	0	0	0	112.4	I391 F409 A412 L417 K420 P421 M425 L426 W427	I391-V423 HydrophobicContact CG1-CG2 4.39Å; F409-V423 HydrophobicContact CD1-CG2 3.96Å; F409-V423 HydrophobicContact CE1-CG2 4.21Å; A412-V423 HydrophobicContact CB-CG2 3.92Å; L417-V423 HydrophobicContact CB-CG1 4.24Å; L417-V423 HydrophobicContact CD1-CG1 4.44Å; K420-V423 HydrophobicContact CB-CG1 4.23Å; K420-V423 WeakPolarHBondContact O-CG1 3.34Å; P421-V423 PolarHBondContact O-N 2.93Å; V423-M425 VanDerWaalsContact C-N 3.33Å; V423-M425 PolarHBondContact O-N 2.58Å; V423-L426 PolarHBondContact O-N 3.32Å; V423-W427 WeakPolarHBondContact O-CB 3.44Å; V423-W427 PolarHBondContact O-N 2.96Å
424	H	98.1	Very high	96.6	Very high	12 Å²	12	39 Å²	39	6%	0.056	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-37.7	175.1	-72.4	-108.8	0	0	0	112.1	C413 L417 K420 P421 W427 A428 I443 F447	C413-H424 VanDerWaalsContact CB-CE1 3.47Å; C413-H424 WeakPolarHBondContact CB-CE1 2.99Å; C413-H424 PolarHBondContact O-CE1 3.16Å; C413-H424 PolarHBondContact O-NE2 3.13Å; L417-H424 PolarHBondContact O-NE2 3.26Å; L417-H424 VanDerWaalsContact O-NE2 3.15Å; K420-H424 PolarHBondContact O-CD2 3.05Å; P421-H424 PolarHBondContact O-N 3.02Å; H424-W427 PolarHBondContact O-N 2.95Å; H424-A428 WeakPolarHBondContact O-CB 3.47Å; H424-A428 PolarHBondContact O-N 3.37Å; H424-I443 HydrophobicContact CB-CG2 4.49Å; H424-F447 HydrophobicContact CB-CD1 4.47Å; H424-F447 HydrophobicContact CB-CD2 4.19Å; H424-F447 HydrophobicContact CB-CG 4.12Å; H424-F447 AromaticContact CD2-CD2 3.86Å; H424-F447 AromaticContact CD2-CE2 3.97Å; H424-F447 AromaticContact CE1-CD2 3.69Å; H424-F447 AromaticContact CG-CD2 3.6Å; H424-F447 AromaticContact CG-CG 3.97Å; H424-F447 AromaticContact ND1-CD2 3.51Å; H424-F447 AromaticContact ND1-CG 3.88Å; H424-F447 AromaticContact NE2-CD2 3.91Å
425	M	96.3	Very high	96.6	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.03	20%	0.195	C	C	.	.	H	α-helix	trans	-71.2	-33.7	179.8	-65.4	-80.7	-66.5	0	0	112.3	P421 M422 V423 A429 L444 M456 R460	P421-M425 WeakPolarHBondContact O-CB 3.46Å; P421-M425 WeakPolarHBondContact O-CG 3.46Å; P421-M425 PolarHBondContact O-N 2.89Å; M422-M425 PolarHBondContact O-N 2.79Å; V423-M425 VanDerWaalsContact C-N 3.33Å; V423-M425 PolarHBondContact O-N 2.58Å; M425-A429 WeakPolarHBondContact O-CB 3.47Å; M425-A429 PolarHBondContact O-N 3.19Å; M425-A429 VanDerWaalsContact O-N 3.16Å; M425-L444 HydrophobicContact SD-CD2 3.77Å; M425-M456 HydrophobicContact CE-CE 4.08Å; M425-M456 HydrophobicContact CG-CE 3.97Å; M425-M456 HydrophobicContact SD-CE 4.45Å; M425-R460 HydrophobicContact CE-CB 3.46Å; M425-R460 VanDerWaalsContact CE-CB 3.46Å; M425-R460 HydrophobicContact CE-CG 3.61Å; M425-R460 HydrophobicContact SD-CB 3.83Å; M425-R460 HydrophobicContact SD-CG 3.87Å
426	L	98.1	Very high	96.7	Very high	48 Å²	48	38 Å²	38	25%	0.251	20%	0.2	S	C	.	.	H	α-helix	trans	-71.4	-41.2	172	-72.5	170.2	0	0	0	111.1	I391 F409 M422 V423 A429 F430	I391-L426 HydrophobicContact CB-CD1 4.41Å; I391-L426 HydrophobicContact CD1-CD1 3.65Å; I391-L426 HydrophobicContact CG1-CD1 3.71Å; I391-L426 HydrophobicContact CG2-CD1 3.8Å; F409-L426 HydrophobicContact CE1-CB 4.06Å; F409-L426 HydrophobicContact CZ-CB 4.11Å; M422-L426 HydrophobicContact CG-CD1 4.15Å; M422-L426 WeakPolarHBondContact O-CG 3.4Å; M422-L426 PolarHBondContact O-N 2.93Å; V423-L426 PolarHBondContact O-N 3.32Å; L426-A429 PolarHBondContact O-N 2.87Å; L426-F430 WeakPolarHBondContact O-CB 3.42Å; L426-F430 PolarHBondContact O-N 3.14Å
427	W	98.4	Very high	96.8	Very high	23 Å²	23	38.6 Å²	38.6	9%	0.087	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-49.4	175	-177.5	20.7	0	0	0	112.1	F409 C413 T414 V423 H424 A429 F430 E431 I443	F409-W427 HydrophobicContact CB-CB 3.81Å; F409-W427 HydrophobicContact CB-CD2 3.93Å; F409-W427 HydrophobicContact CB-CG 3.48Å; F409-W427 VanDerWaalsContact CB-CG 3.48Å; F409-W427 HydrophobicContact CD1-CB 3.9Å; F409-W427 HydrophobicContact CD2-CB 4.23Å; F409-W427 AromaticContact CD2-CD1 3.99Å; F409-W427 HydrophobicContact CD2-CG 4.32Å; F409-W427 HydrophobicContact CG-CB 3.74Å; F409-W427 AromaticContact CG-CD1 3.95Å; F409-W427 AromaticContact CG-CG 3.9Å; F409-W427 HydrophobicContact CG-CG 3.9Å; C413-W427 HydrophobicContact CB-CE3 3.58Å; C413-W427 HydrophobicContact CB-CZ3 3.64Å; T414-W427 HydrophobicContact CG2-CH2 4.23Å; T414-W427 HydrophobicContact CG2-CZ3 4.26Å; V423-W427 WeakPolarHBondContact O-CB 3.44Å; V423-W427 PolarHBondContact O-N 2.96Å; H424-W427 PolarHBondContact O-N 2.95Å; W427-A429 VanDerWaalsContact C-N 3.28Å; W427-A429 PolarHBondContact O-N 3.05Å; W427-F430 WeakPolarHBondContact O-CB 3.4Å; W427-F430 PolarHBondContact O-N 3.06Å; W427-F430 VanDerWaalsContact O-N 3.11Å; W427-E431 PolarHBondContact NE1-OE1 3.22Å; W427-E431 VanDerWaalsContact NE1-OE1 3.13Å; W427-E431 PolarHBondContact O-N 3.28Å; W427-I443 HydrophobicContact CD2-CD1 3.42Å; W427-I443 VanDerWaalsContact CD2-CD1 3.42Å; W427-I443 HydrophobicContact CD2-CG1 3.93Å; W427-I443 HydrophobicContact CD2-CG2 4.24Å; W427-I443 HydrophobicContact CE3-CB 4.43Å; W427-I443 HydrophobicContact CE3-CD1 3.85Å; W427-I443 HydrophobicContact CE3-CG1 3.8Å; W427-I443 HydrophobicContact CE3-CG2 3.71Å; W427-I443 HydrophobicContact CG-CD1 3.78Å; W427-I443 HydrophobicContact CH2-CD1 4.22Å; W427-I443 HydrophobicContact CH2-CG1 3.93Å; W427-I443 HydrophobicContact CZ2-CD1 3.82Å; W427-I443 HydrophobicContact CZ2-CG1 4.03Å; W427-I443 HydrophobicContact CZ3-CD1 4.24Å; W427-I443 HydrophobicContact CZ3-CG1 3.81Å; W427-I443 HydrophobicContact CZ3-CG2 4.19Å
428	A	98.2	Very high	96.9	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-35.8	176.9	0	0	0	0	0	112.6	H424 E432 A440 I443 L444	H424-A428 WeakPolarHBondContact O-CB 3.47Å; H424-A428 PolarHBondContact O-N 3.37Å; A428-E432 WeakPolarHBondContact O-CB 3.33Å; A428-E432 PolarHBondContact O-N 3.34Å; A428-A440 HydrophobicContact CB-CB 4.34Å; A428-A440 WeakPolarHBondContact O-CB 3.43Å; A428-I443 HydrophobicContact CB-CB 4.41Å; A428-I443 HydrophobicContact CB-CG2 4.16Å; A428-L444 HydrophobicContact CB-CD1 4.19Å; A428-L444 HydrophobicContact CB-CD2 3.82Å; A428-L444 HydrophobicContact CB-CG 3.75Å
429	A	97.7	Very high	97	Very high	19 Å²	19	45.8 Å²	45.8	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-68.3	-37.9	174.9	0	0	0	0	0	112.2	M425 L426 W427 E432 Q433	M425-A429 WeakPolarHBondContact O-CB 3.47Å; M425-A429 PolarHBondContact O-N 3.19Å; M425-A429 VanDerWaalsContact O-N 3.16Å; L426-A429 PolarHBondContact O-N 2.87Å; W427-A429 VanDerWaalsContact C-N 3.28Å; W427-A429 PolarHBondContact O-N 3.05Å; A429-E432 PolarHBondContact O-N 2.9Å; A429-Q433 WeakPolarHBondContact O-CB 3.29Å; A429-Q433 PolarHBondContact O-N 3.03Å
430	F	98.2	Very high	97.2	Very high	9 Å²	9	40.8 Å²	40.8	4%	0.039	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-49	173.5	168.1	-91.8	0	0	0	111.1	I402 V405 R406 F409 L426 W427 E432 Q433 Q434	I402-F430 HydrophobicContact CG2-CZ 3.72Å; V405-F430 HydrophobicContact CB-CD2 4.48Å; V405-F430 HydrophobicContact CB-CE1 4.28Å; V405-F430 HydrophobicContact CB-CE2 3.76Å; V405-F430 HydrophobicContact CB-CZ 3.63Å; V405-F430 HydrophobicContact CG1-CD1 4.13Å; V405-F430 HydrophobicContact CG1-CD2 3.62Å; V405-F430 HydrophobicContact CG1-CE1 3.96Å; V405-F430 HydrophobicContact CG1-CE2 3.39Å; V405-F430 HydrophobicContact CG1-CG 3.97Å; V405-F430 HydrophobicContact CG1-CZ 3.56Å; V405-F430 HydrophobicContact CG2-CE2 4.23Å; V405-F430 HydrophobicContact CG2-CZ 4.46Å; R406-F430 HydrophobicContact CG-CE1 3.58Å; R406-F430 HydrophobicContact CG-CZ 4.29Å; F409-F430 HydrophobicContact CD2-CB 4.49Å; F409-F430 HydrophobicContact CD2-CD1 4.42Å; F409-F430 HydrophobicContact CD2-CG 4.43Å; F409-F430 HydrophobicContact CE2-CB 4.02Å; F409-F430 HydrophobicContact CE2-CG 4.16Å; L426-F430 WeakPolarHBondContact O-CB 3.42Å; L426-F430 PolarHBondContact O-N 3.14Å; W427-F430 WeakPolarHBondContact O-CB 3.4Å; W427-F430 PolarHBondContact O-N 3.06Å; W427-F430 VanDerWaalsContact O-N 3.11Å; F430-E432 VanDerWaalsContact C-N 3.3Å; F430-E432 PolarHBondContact O-N 3.13Å; F430-Q433 WeakPolarHBondContact O-CB 3.46Å; F430-Q433 PolarHBondContact O-N 3.48Å; F430-Q433 VanDerWaalsContact O-N 3.07Å; F430-Q434 HydrophobicContact CD1-CG 4.35Å; F430-Q434 HydrophobicContact CD2-CG 4.32Å; F430-Q434 HydrophobicContact CE1-CG 3.85Å; F430-Q434 HydrophobicContact CE2-CG 3.86Å; F430-Q434 HydrophobicContact CZ-CG 3.62Å; F430-Q434 WeakPolarHBondContact O-CG 3.23Å; F430-Q434 PolarHBondContact O-N 3.08Å
431	E	98.3	Very high	97.4	Very high	4 Å²	4	40 Å²	40	2%	0.019	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-39.2	177.6	-67.8	-58.8	162.7	0	0	112.1	R406 W427 Q433 Q434 G435 N436 E439 A440 I443	R406-E431 WeakPolarHBondContact CD-OE1 3.4Å; R406-E431 WeakPolarHBondContact CG-OE1 3.35Å; R406-E431 IonicContact NE-OE1 2.69Å; R406-E431 PolarHBondContact NE-OE1 3.34Å; R406-E431 IonicContact NE-OE2 3.25Å; R406-E431 PolarHBondContact NE-OE2 2.84Å; W427-E431 PolarHBondContact NE1-OE1 3.22Å; W427-E431 VanDerWaalsContact NE1-OE1 3.13Å; W427-E431 PolarHBondContact O-N 3.28Å; E431-Q433 VanDerWaalsContact C-N 3.34Å; E431-Q433 PolarHBondContact O-N 3.34Å; E431-Q434 PolarHBondContact O-N 3.09Å; E431-G435 PolarHBondContact O-N 3.36Å; E431-G435 VanDerWaalsContact O-N 3.09Å; E431-N436 HydrophobicContact CB-CB 4.13Å; E431-N436 PolarHBondContact O-N 2.84Å; E431-N436 VanDerWaalsContact OE2-CB 3.26Å; E431-N436 WeakPolarHBondContact OE2-CB 3.28Å; E431-N436 PolarHBondContact OE2-ND2 3.37Å; E431-E439 HydrophobicContact CG-CB 4.34Å; E431-E439 HydrophobicContact CG-CG 4.18Å; E431-A440 HydrophobicContact CB-CB 4.11Å; E431-I443 HydrophobicContact CG-CD1 3.81Å
432	E	97.4	Very high	97.5	Very high	35 Å²	35	40.6 Å²	40.6	16%	0.164	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-43.3	172.9	-178.7	178.1	-169.2	0	0	111.7	A428 A429 F430 Q434 G435 I437 A440 L464 R467 H468	A428-E432 WeakPolarHBondContact O-CB 3.33Å; A428-E432 PolarHBondContact O-N 3.34Å; A429-E432 PolarHBondContact O-N 2.9Å; F430-E432 VanDerWaalsContact C-N 3.3Å; F430-E432 PolarHBondContact O-N 3.13Å; E432-Q434 VanDerWaalsContact C-N 3.32Å; E432-Q434 PolarHBondContact O-N 3.26Å; E432-G435 PolarHBondContact O-N 3.5Å; E432-G435 VanDerWaalsContact O-N 3.12Å; E432-I437 HydrophobicContact CB-CD1 4.45Å; E432-I437 HydrophobicContact CG-CD1 4.11Å; E432-A440 HydrophobicContact CB-CB 4.39Å; E432-L464 HydrophobicContact CB-CD1 4.18Å; E432-L464 HydrophobicContact CG-CD1 3.8Å; E432-L464 WeakPolarHBondContact OE1-CD1 3.33Å; E432-L464 WeakPolarHBondContact OE2-CD1 3.5Å; E432-R467 IonicContact OE1-CZ 3.71Å; E432-R467 IonicContact OE1-NE 3.79Å; E432-R467 PolarHBondContact OE1-NE 2.89Å; E432-R467 IonicContact OE1-NH2 3.66Å; E432-R467 PolarHBondContact OE1-NH2 3.22Å; E432-R467 IonicContact OE2-CZ 3.29Å; E432-R467 IonicContact OE2-NE 3.58Å; E432-R467 IonicContact OE2-NH2 2.83Å; E432-R467 PolarHBondContact OE2-NH2 3.45Å; E432-H468 IonicContact OE1-NE2 2.66Å; E432-H468 PolarHBondContact OE1-NE2 3.49Å
433	Q	96.9	Very high	97.6	Very high	134 Å²	134	38.3 Å²	38.3	63%	0.626	20%	0.201	S	C	*	.	H	α-helix	trans	-64.4	-35	177.1	-178.8	177.3	-14.9	0	0	112.5	A429 F430 E431 G435	A429-Q433 WeakPolarHBondContact O-CB 3.29Å; A429-Q433 PolarHBondContact O-N 3.03Å; F430-Q433 WeakPolarHBondContact O-CB 3.46Å; F430-Q433 PolarHBondContact O-N 3.48Å; F430-Q433 VanDerWaalsContact O-N 3.07Å; E431-Q433 VanDerWaalsContact C-N 3.34Å; E431-Q433 PolarHBondContact O-N 3.34Å; Q433-G435 VanDerWaalsContact C-N 3.26Å; Q433-G435 PolarHBondContact O-N 2.81Å
434	Q	97.3	Very high	97.6	Very high	68 Å²	68	38.4 Å²	38.4	32%	0.318	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-5.8	175.5	-59	-51.1	-41.3	0	0	113.4	I402 F430 E431 E432	I402-Q434 HydrophobicContact CG2-CG 3.94Å; F430-Q434 HydrophobicContact CD1-CG 4.35Å; F430-Q434 HydrophobicContact CD2-CG 4.32Å; F430-Q434 HydrophobicContact CE1-CG 3.85Å; F430-Q434 HydrophobicContact CE2-CG 3.86Å; F430-Q434 HydrophobicContact CZ-CG 3.62Å; F430-Q434 WeakPolarHBondContact O-CG 3.23Å; F430-Q434 PolarHBondContact O-N 3.08Å; E431-Q434 PolarHBondContact O-N 3.09Å; E432-Q434 VanDerWaalsContact C-N 3.32Å; E432-Q434 PolarHBondContact O-N 3.26Å
435	G	96.4	Very high	97.5	Very high	48 Å²	48	43.3 Å²	43.3	50%	0.495	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	1.6	-179.3	0	0	0	0	0	115.2	E431 E432 Q433 I437	E431-G435 PolarHBondContact O-N 3.36Å; E431-G435 VanDerWaalsContact O-N 3.09Å; E432-G435 PolarHBondContact O-N 3.5Å; E432-G435 VanDerWaalsContact O-N 3.12Å; Q433-G435 VanDerWaalsContact C-N 3.26Å; Q433-G435 PolarHBondContact O-N 2.81Å; G435-I437 PolarHBondContact O-N 2.87Å
436	N	97.2	Very high	97.4	Very high	67 Å²	67	45.9 Å²	45.9	36%	0.358	24%	0.236	S	C	.	.			trans	-82	62	177.8	-71.2	-21.6	0	0	0	111.8	R406 E431 N438 E439 A440	R406-N436 PolarHBondContact NE-ND2 2.97Å; R406-N436 PolarHBondContact NH2-ND2 3.23Å; E431-N436 HydrophobicContact CB-CB 4.13Å; E431-N436 PolarHBondContact O-N 2.84Å; E431-N436 VanDerWaalsContact OE2-CB 3.26Å; E431-N436 WeakPolarHBondContact OE2-CB 3.28Å; E431-N436 PolarHBondContact OE2-ND2 3.37Å; N436-N438 VanDerWaalsContact C-N 3.3Å; N436-N438 PolarHBondContact O-N 3.04Å; N436-E439 HydrophobicContact CB-CB 4.28Å; N436-E439 PolarHBondContact O-N 3.2Å; N436-E439 VanDerWaalsContact O-N 3.11Å; N436-A440 PolarHBondContact O-N 3.27Å; N436-A440 VanDerWaalsContact O-N 3.14Å
437	I	97.6	Very high	97.3	Very high	30 Å²	30	43.7 Å²	43.7	15%	0.154	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-36.7	-169.7	-47.7	-46	0	0	0	112.3	E432 G435 E439 A440 R441 L464 H468	E432-I437 HydrophobicContact CB-CD1 4.45Å; E432-I437 HydrophobicContact CG-CD1 4.11Å; G435-I437 PolarHBondContact O-N 2.87Å; I437-E439 VanDerWaalsContact C-N 3.3Å; I437-E439 PolarHBondContact O-N 3.28Å; I437-A440 PolarHBondContact O-N 3.31Å; I437-R441 WeakPolarHBondContact O-CG 3.14Å; I437-R441 PolarHBondContact O-N 3.4Å; I437-L464 HydrophobicContact CG2-CD1 4.25Å; I437-H468 WeakPolarHBondContact CD1-CE1 3.41Å; I437-H468 WeakPolarHBondContact CD1-NE2 3.43Å
438	N	97.6	Very high	97.1	Very high	118 Å²	118	43.3 Å²	43.3	63%	0.631	22%	0.224	S	C	*	.	H	α-helix	trans	-65.3	-35.3	178.6	-69.3	-27.8	0	0	0	112.2	N436 R441 N442	N436-N438 VanDerWaalsContact C-N 3.3Å; N436-N438 PolarHBondContact O-N 3.04Å; N438-R441 WeakPolarHBondContact O-CB 3.42Å; N438-R441 PolarHBondContact O-N 2.71Å; N438-R441 PolarHBondContact OD1-NH1 3.39Å; N438-N442 PolarHBondContact O-N 3.42Å
439	E	97.6	Very high	96.8	Very high	70 Å²	70	49.2 Å²	49.2	33%	0.327	25%	0.251	S	S	.	.	H	α-helix	trans	-71.3	-42.9	176.6	-168	51.6	-137.7	0	0	110.6	E431 N436 I437 R441 N442 I443	E431-E439 HydrophobicContact CG-CB 4.34Å; E431-E439 HydrophobicContact CG-CG 4.18Å; N436-E439 HydrophobicContact CB-CB 4.28Å; N436-E439 PolarHBondContact O-N 3.2Å; N436-E439 VanDerWaalsContact O-N 3.11Å; I437-E439 VanDerWaalsContact C-N 3.3Å; I437-E439 PolarHBondContact O-N 3.28Å; E439-R441 PolarHBondContact O-N 2.99Å; E439-N442 WeakPolarHBondContact O-CA 3.4Å; E439-N442 WeakPolarHBondContact O-CB 3.3Å; E439-N442 PolarHBondContact O-N 2.91Å; E439-N442 PolarHBondContact OE1-ND2 3.44Å; E439-I443 HydrophobicContact CG-CD1 4Å; E439-I443 HydrophobicContact CG-CG1 4.39Å; E439-I443 WeakPolarHBondContact O-CD1 3.45Å; E439-I443 VanDerWaalsContact O-CG1 3.28Å; E439-I443 WeakPolarHBondContact O-CG1 3.46Å; E439-I443 PolarHBondContact O-N 3.27Å
440	A	98.1	Very high	96.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-54.9	-39.8	171.8	0	0	0	0	0	112.5	A428 E431 E432 N436 I437 L444 L464	A428-A440 HydrophobicContact CB-CB 4.34Å; A428-A440 WeakPolarHBondContact O-CB 3.43Å; E431-A440 HydrophobicContact CB-CB 4.11Å; E432-A440 HydrophobicContact CB-CB 4.39Å; N436-A440 PolarHBondContact O-N 3.27Å; N436-A440 VanDerWaalsContact O-N 3.14Å; I437-A440 PolarHBondContact O-N 3.31Å; A440-L444 VanDerWaalsContact O-CG 3.28Å; A440-L444 WeakPolarHBondContact O-CG 3.25Å; A440-L444 PolarHBondContact O-N 3.33Å; A440-L464 HydrophobicContact CB-CD1 4.39Å; A440-L464 HydrophobicContact CB-CD2 4.1Å
441	R	97.8	Very high	96	Very high	60 Å²	60	52.7 Å²	52.7	23%	0.226	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-46	172.8	-70.2	174.2	177.7	117.7	8.2	111.9	I437 N438 E439 L444 R445 L464 E465 N470	I437-R441 WeakPolarHBondContact O-CG 3.14Å; I437-R441 PolarHBondContact O-N 3.4Å; N438-R441 WeakPolarHBondContact O-CB 3.42Å; N438-R441 PolarHBondContact O-N 2.71Å; N438-R441 PolarHBondContact OD1-NH1 3.39Å; E439-R441 PolarHBondContact O-N 2.99Å; R441-L444 PolarHBondContact O-N 3.05Å; R441-R445 WeakPolarHBondContact O-CB 3.47Å; R441-R445 PolarHBondContact O-N 3.47Å; R441-L464 HydrophobicContact CB-CD2 4.45Å; R441-L464 HydrophobicContact CG-CD2 3.66Å; R441-E465 VanDerWaalsContact CD-OE1 3.28Å; R441-E465 WeakPolarHBondContact CD-OE1 3.45Å; R441-E465 WeakPolarHBondContact CG-OE1 3.41Å; R441-E465 IonicContact CZ-OE1 3.59Å; R441-E465 IonicContact CZ-OE2 3.58Å; R441-E465 IonicContact NE-OE1 3.49Å; R441-E465 PolarHBondContact NE-OE1 2.96Å; R441-E465 IonicContact NE-OE2 3.92Å; R441-E465 PolarHBondContact NE-OE2 3.17Å; R441-E465 IonicContact NH2-OE1 3.9Å; R441-E465 IonicContact NH2-OE2 3.94Å; R441-E465 PolarHBondContact NH2-OE2 2.95Å; R441-N470 PolarHBondContact NH2-ND2 2.99Å
442	N	97.7	Very high	95.4	Very high	50 Å²	50	58.5 Å²	58.5	27%	0.267	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-50.2	-178.5	-171	39.7	0	0	0	111	N438 E439 L444 R445 T446	N438-N442 PolarHBondContact O-N 3.42Å; E439-N442 WeakPolarHBondContact O-CA 3.4Å; E439-N442 WeakPolarHBondContact O-CB 3.3Å; E439-N442 PolarHBondContact O-N 2.91Å; E439-N442 PolarHBondContact OE1-ND2 3.44Å; N442-L444 PolarHBondContact O-N 3.35Å; N442-R445 PolarHBondContact O-N 2.76Å; N442-R445 PolarHBondContact OD1-NH2 2.85Å; N442-T446 WeakPolarHBondContact O-CG2 3.19Å; N442-T446 PolarHBondContact O-N 2.76Å; N442-T446 PolarHBondContact O-OG1 3.23Å
443	I	97.8	Very high	94.7	Very high	1 Å²	1	59 Å²	59	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-54.1	-49.8	177.2	-64.9	159.3	0	0	0	111.1	H424 W427 A428 E431 E439 R445 T446 F447	H424-I443 HydrophobicContact CB-CG2 4.49Å; W427-I443 HydrophobicContact CD2-CD1 3.42Å; W427-I443 VanDerWaalsContact CD2-CD1 3.42Å; W427-I443 HydrophobicContact CD2-CG1 3.93Å; W427-I443 HydrophobicContact CD2-CG2 4.24Å; W427-I443 HydrophobicContact CE3-CB 4.43Å; W427-I443 HydrophobicContact CE3-CD1 3.85Å; W427-I443 HydrophobicContact CE3-CG1 3.8Å; W427-I443 HydrophobicContact CE3-CG2 3.71Å; W427-I443 HydrophobicContact CG-CD1 3.78Å; W427-I443 HydrophobicContact CH2-CD1 4.22Å; W427-I443 HydrophobicContact CH2-CG1 3.93Å; W427-I443 HydrophobicContact CZ2-CD1 3.82Å; W427-I443 HydrophobicContact CZ2-CG1 4.03Å; W427-I443 HydrophobicContact CZ3-CD1 4.24Å; W427-I443 HydrophobicContact CZ3-CG1 3.81Å; W427-I443 HydrophobicContact CZ3-CG2 4.19Å; A428-I443 HydrophobicContact CB-CB 4.41Å; A428-I443 HydrophobicContact CB-CG2 4.16Å; E431-I443 HydrophobicContact CG-CD1 3.81Å; E439-I443 HydrophobicContact CG-CD1 4Å; E439-I443 HydrophobicContact CG-CG1 4.39Å; E439-I443 WeakPolarHBondContact O-CD1 3.45Å; E439-I443 VanDerWaalsContact O-CG1 3.28Å; E439-I443 WeakPolarHBondContact O-CG1 3.46Å; E439-I443 PolarHBondContact O-N 3.27Å; I443-R445 VanDerWaalsContact C-N 3.35Å; I443-R445 PolarHBondContact O-N 3.08Å; I443-T446 PolarHBondContact O-OG1 3Å; I443-F447 VanDerWaalsContact O-CB 3.27Å; I443-F447 WeakPolarHBondContact O-CB 3.44Å; I443-F447 PolarHBondContact O-N 3.33Å
444	L	97	Very high	94.3	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-69.5	-33.3	-177.8	-65.1	170.7	0	0	0	112.7	M425 A428 A440 R441 N442 E448 R460 R461 L464	M425-L444 HydrophobicContact SD-CD2 3.77Å; A428-L444 HydrophobicContact CB-CD1 4.19Å; A428-L444 HydrophobicContact CB-CD2 3.82Å; A428-L444 HydrophobicContact CB-CG 3.75Å; A440-L444 VanDerWaalsContact O-CG 3.28Å; A440-L444 WeakPolarHBondContact O-CG 3.25Å; A440-L444 PolarHBondContact O-N 3.33Å; R441-L444 PolarHBondContact O-N 3.05Å; N442-L444 PolarHBondContact O-N 3.35Å; L444-E448 WeakPolarHBondContact O-CB 3.41Å; L444-E448 PolarHBondContact O-N 2.91Å; L444-R460 HydrophobicContact CD1-CB 4.39Å; L444-R460 HydrophobicContact CD1-CG 3.78Å; L444-R460 HydrophobicContact CD2-CB 4.33Å; L444-R460 HydrophobicContact CD2-CG 3.87Å; L444-R461 HydrophobicContact CB-CG 3.46Å; L444-R461 VanDerWaalsContact CB-CG 3.46Å; L444-R461 HydrophobicContact CD1-CG 3.94Å; L444-R461 HydrophobicContact CG-CG 4.29Å; L444-L464 HydrophobicContact CD1-CD2 4.12Å
445	R	95.8	Very high	93.9	Very high	114 Å²	114	52.8 Å²	52.8	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-67.9	-52.5	175.9	175.2	-176.8	60.9	-169.5	-1.7	110.8	R441 N442 I443 F447 E448 E449	R441-R445 WeakPolarHBondContact O-CB 3.47Å; R441-R445 PolarHBondContact O-N 3.47Å; N442-R445 PolarHBondContact O-N 2.76Å; N442-R445 PolarHBondContact OD1-NH2 2.85Å; I443-R445 VanDerWaalsContact C-N 3.35Å; I443-R445 PolarHBondContact O-N 3.08Å; R445-F447 VanDerWaalsContact C-N 3.28Å; R445-F447 PolarHBondContact O-N 3.37Å; R445-E448 PolarHBondContact O-N 3.43Å; R445-E448 VanDerWaalsContact O-N 3.14Å; R445-E449 VanDerWaalsContact CG-OE1 3.29Å; R445-E449 WeakPolarHBondContact CG-OE1 3.4Å; R445-E449 WeakPolarHBondContact O-CG 3.48Å; R445-E449 PolarHBondContact O-N 3.25Å
446	T	95.3	Very high	93.5	Very high	61 Å²	61	52.8 Å²	52.8	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-38.5	-179.6	54.6	0	0	0	0	111.2	N442 I443 E449 C450	N442-T446 WeakPolarHBondContact O-CG2 3.19Å; N442-T446 PolarHBondContact O-N 2.76Å; N442-T446 PolarHBondContact O-OG1 3.23Å; I443-T446 PolarHBondContact O-OG1 3Å; T446-E449 PolarHBondContact O-N 3.36Å; T446-C450 WeakPolarHBondContact O-CB 3.46Å; T446-C450 PolarHBondContact O-N 2.89Å
447	F	95.8	Very high	93.3	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-40.7	174.7	-174.9	-110.9	0	0	0	112.6	P418 P421 H424 I443 R445 E449 C450 V451 L454 V457	P418-F447 WeakPolarHBondContact O-CD2 3.4Å; P418-F447 VanDerWaalsContact O-CE2 3.27Å; P418-F447 WeakPolarHBondContact O-CE2 3.4Å; P421-F447 VanDerWaalsContact CA-CZ 3.4Å; P421-F447 HydrophobicContact CB-CE1 3.75Å; P421-F447 HydrophobicContact CB-CZ 3.7Å; H424-F447 HydrophobicContact CB-CD1 4.47Å; H424-F447 HydrophobicContact CB-CD2 4.19Å; H424-F447 HydrophobicContact CB-CG 4.12Å; H424-F447 AromaticContact CD2-CD2 3.86Å; H424-F447 AromaticContact CD2-CE2 3.97Å; H424-F447 AromaticContact CE1-CD2 3.69Å; H424-F447 AromaticContact CG-CD2 3.6Å; H424-F447 AromaticContact CG-CG 3.97Å; H424-F447 AromaticContact ND1-CD2 3.51Å; H424-F447 AromaticContact ND1-CG 3.88Å; H424-F447 AromaticContact NE2-CD2 3.91Å; I443-F447 VanDerWaalsContact O-CB 3.27Å; I443-F447 WeakPolarHBondContact O-CB 3.44Å; I443-F447 PolarHBondContact O-N 3.33Å; R445-F447 VanDerWaalsContact C-N 3.28Å; R445-F447 PolarHBondContact O-N 3.37Å; F447-E449 VanDerWaalsContact C-N 3.34Å; F447-E449 PolarHBondContact O-N 3.47Å; F447-C450 PolarHBondContact O-N 3.49Å; F447-V451 HydrophobicContact CD2-CG2 4.34Å; F447-V451 HydrophobicContact CE2-CB 4.37Å; F447-V451 HydrophobicContact CE2-CG2 3.68Å; F447-V451 HydrophobicContact CZ-CB 4.15Å; F447-V451 HydrophobicContact CZ-CG2 3.87Å; F447-V451 PolarHBondContact O-N 3.35Å; F447-L454 HydrophobicContact CE1-CD1 3.89Å; F447-L454 HydrophobicContact CZ-CD1 4.06Å; F447-V457 HydrophobicContact CD1-CB 4.47Å; F447-V457 HydrophobicContact CD1-CG1 4.06Å; F447-V457 HydrophobicContact CD1-CG2 3.53Å; F447-V457 HydrophobicContact CE1-CG2 3.45Å; F447-V457 VanDerWaalsContact CE1-CG2 3.45Å
448	E	94.3	Very high	93.1	Very high	14 Å²	14	49.5 Å²	49.5	7%	0.065	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-37.3	176.1	-177.3	159.8	-156.1	0	0	112.8	L444 R445 C450 V451 V457 R458 R461	L444-E448 WeakPolarHBondContact O-CB 3.41Å; L444-E448 PolarHBondContact O-N 2.91Å; R445-E448 PolarHBondContact O-N 3.43Å; R445-E448 VanDerWaalsContact O-N 3.14Å; E448-C450 VanDerWaalsContact C-N 3.32Å; E448-V451 CarbonylContact O-C 3.54Å; E448-V457 HydrophobicContact CB-CG1 3.87Å; E448-R458 VanDerWaalsContact CD-NH2 3.33Å; E448-R458 IonicContact OE1-CZ 2.74Å; E448-R458 IonicContact OE1-NE 3.97Å; E448-R458 PolarHBondContact OE1-NE 3.32Å; E448-R458 IonicContact OE1-NH2 3.28Å; E448-R458 PolarHBondContact OE1-NH2 3.31Å; E448-R458 IonicContact OE2-CZ 3.35Å; E448-R458 IonicContact OE2-NE 3.81Å; E448-R458 PolarHBondContact OE2-NE 2.93Å; E448-R458 IonicContact OE2-NH2 2.76Å; E448-R461 WeakPolarHBondContact OE2-CD 3.44Å; E448-R461 IonicContact OE2-CZ 3.35Å; E448-R461 IonicContact OE2-NE 2.76Å; E448-R461 IonicContact OE2-NH1 3.64Å; E448-R461 PolarHBondContact OE2-NH1 3.09Å
449	E	92	Very high	93	Very high	127 Å²	127	45.5 Å²	45.5	59%	0.593	24%	0.24	S	C	*	.	H	α-helix	trans	-65.5	-36	173.5	-70.7	166.4	-172.8	0	0	111.7	R445 T446 F447	R445-E449 VanDerWaalsContact CG-OE1 3.29Å; R445-E449 WeakPolarHBondContact CG-OE1 3.4Å; R445-E449 WeakPolarHBondContact O-CG 3.48Å; R445-E449 PolarHBondContact O-N 3.25Å; T446-E449 PolarHBondContact O-N 3.36Å; F447-E449 VanDerWaalsContact C-N 3.34Å; F447-E449 PolarHBondContact O-N 3.47Å
450	C	89.8	Confident	92.9	Very high	68 Å²	68	45.2 Å²	45.2	46%	0.459	24%	0.237	S	C	.	.	H	α-helix	trans	-73.7	-41.1	177.1	-170.7	0	0	0	0	112.8	T446 F447 E448	T446-C450 WeakPolarHBondContact O-CB 3.46Å; T446-C450 PolarHBondContact O-N 2.89Å; F447-C450 PolarHBondContact O-N 3.49Å; E448-C450 VanDerWaalsContact C-N 3.32Å
451	V	88.9	Confident	92.8	Very high	33 Å²	33	47.3 Å²	47.3	20%	0.2	24%	0.244	C	C	.	.	S	Bend	trans	-125.6	87	-176	-165.9	0	0	0	0	110.9	K419 F447 E448 L454	K419-V451 HydrophobicContact CB-CG2 4.17Å; K419-V451 HydrophobicContact CG-CG2 4.26Å; F447-V451 HydrophobicContact CD2-CG2 4.34Å; F447-V451 HydrophobicContact CE2-CB 4.37Å; F447-V451 HydrophobicContact CE2-CG2 3.68Å; F447-V451 HydrophobicContact CZ-CB 4.15Å; F447-V451 HydrophobicContact CZ-CG2 3.87Å; F447-V451 PolarHBondContact O-N 3.35Å; E448-V451 CarbonylContact O-C 3.54Å; V451-L454 HydrophobicContact CB-CD1 3.98Å; V451-L454 HydrophobicContact CG1-CD1 3.45Å; V451-L454 VanDerWaalsContact CG1-CD1 3.45Å; V451-L454 HydrophobicContact CG1-CG 3.87Å
452	L	86.1	Confident	92.8	Very high	126 Å²	126	44.8 Å²	44.8	66%	0.66	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	140.7	-176.7	-57.7	175	0	0	0	112.9
453	G	81.3	Confident	92.8	Very high	45 Å²	45	43.3 Å²	43.3	46%	0.464	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	10.1	168.2	0	0	0	0	0	115.7	A455	G453-A455 PolarHBondContact O-N 3.45Å
454	L	88.1	Confident	92.7	Very high	52 Å²	52	43.3 Å²	43.3	27%	0.272	23%	0.229	S	C	.	.			trans	-82.2	99.4	174.7	-68.9	-178.4	0	0	0	111.5	P421 F447 V451 M456 V457 R458	P421-L454 HydrophobicContact CB-CD1 4.31Å; F447-L454 HydrophobicContact CE1-CD1 3.89Å; F447-L454 HydrophobicContact CZ-CD1 4.06Å; V451-L454 HydrophobicContact CB-CD1 3.98Å; V451-L454 HydrophobicContact CG1-CD1 3.45Å; V451-L454 VanDerWaalsContact CG1-CD1 3.45Å; V451-L454 HydrophobicContact CG1-CG 3.87Å; L454-M456 HydrophobicContact CB-CG 4.32Å; L454-M456 PolarHBondContact O-N 2.94Å; L454-M456 VanDerWaalsContact O-N 3.09Å; L454-V457 HydrophobicContact CB-CB 4.4Å; L454-V457 HydrophobicContact CB-CG2 3.71Å; L454-V457 HydrophobicContact CD1-CG2 4.18Å; L454-V457 WeakPolarHBondContact O-CB 3.46Å; L454-V457 PolarHBondContact O-N 2.77Å; L454-R458 PolarHBondContact O-N 2.78Å
455	A	88.8	Confident	92.8	Very high	20 Å²	20	43.9 Å²	43.9	17%	0.165	23%	0.232	C	C	.	.	H	α-helix	trans	-52.3	-35.7	178.3	0	0	0	0	0	113.6	G453 V457 R458 L459 F493 Y494	G453-A455 PolarHBondContact O-N 3.45Å; A455-V457 VanDerWaalsContact C-N 3.26Å; A455-V457 PolarHBondContact O-N 3.07Å; A455-R458 PolarHBondContact O-N 3.25Å; A455-L459 WeakPolarHBondContact O-CB 3.28Å; A455-L459 WeakPolarHBondContact O-CG 3.47Å; A455-L459 PolarHBondContact O-N 2.94Å; A455-F493 HydrophobicContact CB-CE1 3.94Å; A455-F493 HydrophobicContact CB-CZ 4.49Å; A455-Y494 WeakPolarHBondContact CA-OH 3.34Å; A455-Y494 HydrophobicContact CB-CE1 4.37Å
456	M	90	Very high	92.8	Very high	48 Å²	48	42.4 Å²	42.4	24%	0.236	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-34.9	177.9	63.9	-179.8	-73.1	0	0	113.3	P421 M425 L454 R460 Y650	P421-M456 HydrophobicContact CB-CE 3.82Å; P421-M456 HydrophobicContact CB-SD 3.89Å; P421-M456 HydrophobicContact CG-CE 4.4Å; P421-M456 HydrophobicContact CG-SD 4.16Å; M425-M456 HydrophobicContact CE-CE 4.08Å; M425-M456 HydrophobicContact CG-CE 3.97Å; M425-M456 HydrophobicContact SD-CE 4.45Å; L454-M456 HydrophobicContact CB-CG 4.32Å; L454-M456 PolarHBondContact O-N 2.94Å; L454-M456 VanDerWaalsContact O-N 3.09Å; M456-R460 WeakPolarHBondContact O-CB 3.3Å; M456-R460 PolarHBondContact O-N 3.42Å; M456-R460 VanDerWaalsContact O-N 3.08Å; M456-Y650 HydrophobicContact CE-CE1 4.49Å
457	V	91.8	Very high	92.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-72.7	-50.6	-179.3	-176.4	0	0	0	0	109.4	F447 E448 L454 A455 L459 R460 R461	F447-V457 HydrophobicContact CD1-CB 4.47Å; F447-V457 HydrophobicContact CD1-CG1 4.06Å; F447-V457 HydrophobicContact CD1-CG2 3.53Å; F447-V457 HydrophobicContact CE1-CG2 3.45Å; F447-V457 VanDerWaalsContact CE1-CG2 3.45Å; E448-V457 HydrophobicContact CB-CG1 3.87Å; L454-V457 HydrophobicContact CB-CB 4.4Å; L454-V457 HydrophobicContact CB-CG2 3.71Å; L454-V457 HydrophobicContact CD1-CG2 4.18Å; L454-V457 WeakPolarHBondContact O-CB 3.46Å; L454-V457 PolarHBondContact O-N 2.77Å; A455-V457 VanDerWaalsContact C-N 3.26Å; A455-V457 PolarHBondContact O-N 3.07Å; V457-L459 VanDerWaalsContact C-N 3.28Å; V457-L459 PolarHBondContact O-N 2.86Å; V457-R460 WeakPolarHBondContact O-CB 3.38Å; V457-R460 PolarHBondContact O-N 3.32Å; V457-R461 PolarHBondContact O-N 3.26Å
458	R	94.6	Very high	92.9	Very high	28 Å²	28	48.7 Å²	48.7	11%	0.106	25%	0.246	C	C	.	.	H	α-helix	trans	-56.1	-44.1	176.7	-171.4	66.2	64.9	144.5	-1.3	111.3	E448 L454 A455 R460 R461 V462 L477 D480 A481 Y494	E448-R458 VanDerWaalsContact CD-NH2 3.33Å; E448-R458 IonicContact OE1-CZ 2.74Å; E448-R458 IonicContact OE1-NE 3.97Å; E448-R458 PolarHBondContact OE1-NE 3.32Å; E448-R458 IonicContact OE1-NH2 3.28Å; E448-R458 PolarHBondContact OE1-NH2 3.31Å; E448-R458 IonicContact OE2-CZ 3.35Å; E448-R458 IonicContact OE2-NE 3.81Å; E448-R458 PolarHBondContact OE2-NE 2.93Å; E448-R458 IonicContact OE2-NH2 2.76Å; L454-R458 PolarHBondContact O-N 2.78Å; A455-R458 PolarHBondContact O-N 3.25Å; R458-R460 VanDerWaalsContact C-N 3.33Å; R458-R460 PolarHBondContact O-N 3.28Å; R458-R461 PolarHBondContact O-N 2.99Å; R458-V462 VanDerWaalsContact O-CG2 3.25Å; R458-V462 WeakPolarHBondContact O-CG2 3.19Å; R458-V462 PolarHBondContact O-N 3.34Å; R458-L477 PolarHBondContact NH1-O 2.71Å; R458-D480 IonicContact CZ-OD2 3.63Å; R458-D480 IonicContact NH1-OD2 2.91Å; R458-D480 PolarHBondContact NH1-OD2 2.96Å; R458-D480 IonicContact NH2-OD2 3.42Å; R458-A481 HydrophobicContact CG-CB 4Å; R458-Y494 HydrophobicContact CB-CE1 4.31Å; R458-Y494 HydrophobicContact CG-CE1 4.15Å
459	L	94.3	Very high	92.9	Very high	33 Å²	33	50.5 Å²	50.5	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-33.6	177.1	-69.4	177.8	0	0	0	113.4	A455 V457 S463 F493 K497	A455-L459 WeakPolarHBondContact O-CB 3.28Å; A455-L459 WeakPolarHBondContact O-CG 3.47Å; A455-L459 PolarHBondContact O-N 2.94Å; V457-L459 VanDerWaalsContact C-N 3.28Å; V457-L459 PolarHBondContact O-N 2.86Å; L459-S463 VanDerWaalsContact O-CB 3.27Å; L459-S463 WeakPolarHBondContact O-CB 3.5Å; L459-S463 PolarHBondContact O-N 3.12Å; L459-S463 PolarHBondContact O-OG 3.39Å; L459-F493 HydrophobicContact CD1-CE1 4.36Å; L459-F493 HydrophobicContact CD1-CZ 3.97Å; L459-K497 HydrophobicContact CD2-CB 4.49Å; L459-K497 HydrophobicContact CD2-CD 4.44Å; L459-K497 HydrophobicContact CD2-CG 4.1Å
460	R	95.4	Very high	93.1	Very high	65 Å²	65	47.9 Å²	47.9	25%	0.245	26%	0.259	C	S	.	.	H	α-helix	trans	-69.4	-43.9	175	-174.9	61	61.2	126.7	4.1	111.4	M425 L444 M456 V457 R458 S463 L464	M425-R460 HydrophobicContact CE-CB 3.46Å; M425-R460 VanDerWaalsContact CE-CB 3.46Å; M425-R460 HydrophobicContact CE-CG 3.61Å; M425-R460 HydrophobicContact SD-CB 3.83Å; M425-R460 HydrophobicContact SD-CG 3.87Å; L444-R460 HydrophobicContact CD1-CB 4.39Å; L444-R460 HydrophobicContact CD1-CG 3.78Å; L444-R460 HydrophobicContact CD2-CB 4.33Å; L444-R460 HydrophobicContact CD2-CG 3.87Å; M456-R460 WeakPolarHBondContact O-CB 3.3Å; M456-R460 PolarHBondContact O-N 3.42Å; M456-R460 VanDerWaalsContact O-N 3.08Å; V457-R460 WeakPolarHBondContact O-CB 3.38Å; V457-R460 PolarHBondContact O-N 3.32Å; R458-R460 VanDerWaalsContact C-N 3.33Å; R458-R460 PolarHBondContact O-N 3.28Å; R460-S463 PolarHBondContact O-N 3.48Å; R460-L464 WeakPolarHBondContact O-CB 3.44Å; R460-L464 PolarHBondContact O-N 3.01Å
461	R	97.2	Very high	93.4	Very high	43 Å²	43	47.4 Å²	47.4	16%	0.162	25%	0.251	C	S	.	.	H	α-helix	trans	-56.9	-50.4	173.9	-67.7	-179.4	69	-163.7	-0.5	111.6	L444 E448 V457 R458 S463 L464 E465 L477	L444-R461 HydrophobicContact CB-CG 3.46Å; L444-R461 VanDerWaalsContact CB-CG 3.46Å; L444-R461 HydrophobicContact CD1-CG 3.94Å; L444-R461 HydrophobicContact CG-CG 4.29Å; E448-R461 WeakPolarHBondContact OE2-CD 3.44Å; E448-R461 IonicContact OE2-CZ 3.35Å; E448-R461 IonicContact OE2-NE 2.76Å; E448-R461 IonicContact OE2-NH1 3.64Å; E448-R461 PolarHBondContact OE2-NH1 3.09Å; V457-R461 PolarHBondContact O-N 3.26Å; R458-R461 PolarHBondContact O-N 2.99Å; R461-S463 VanDerWaalsContact C-N 3.29Å; R461-S463 PolarHBondContact O-N 2.87Å; R461-L464 WeakPolarHBondContact O-CB 3.46Å; R461-L464 PolarHBondContact O-N 3.22Å; R461-E465 PolarHBondContact O-N 3.08Å; R461-L477 HydrophobicContact CB-CD1 3.91Å
462	V	97.2	Very high	93.8	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-41.5	176.5	171.6	0	0	0	0	111.5	R458 R466 A474 L477 L478	R458-V462 VanDerWaalsContact O-CG2 3.25Å; R458-V462 WeakPolarHBondContact O-CG2 3.19Å; R458-V462 PolarHBondContact O-N 3.34Å; V462-R466 VanDerWaalsContact O-CB 3.29Å; V462-R466 WeakPolarHBondContact O-CB 3.48Å; V462-R466 PolarHBondContact O-N 3.17Å; V462-A474 HydrophobicContact CG1-CB 4.21Å; V462-L477 HydrophobicContact CG2-CB 3.75Å; V462-L477 HydrophobicContact CG2-CD1 4.16Å; V462-L478 HydrophobicContact CG1-CD1 4Å; V462-L478 HydrophobicContact CG1-CG 4.19Å; V462-L478 HydrophobicContact CG2-CD1 4.47Å; V462-L478 HydrophobicContact CG2-CD2 3.93Å; V462-L478 HydrophobicContact CG2-CG 3.75Å
463	S	96.6	Very high	94.3	Very high	18 Å²	18	51.6 Å²	51.6	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-68.3	-36.4	-179.9	-63.6	0	0	0	0	112.8	L459 R460 R461 R467	L459-S463 VanDerWaalsContact O-CB 3.27Å; L459-S463 WeakPolarHBondContact O-CB 3.5Å; L459-S463 PolarHBondContact O-N 3.12Å; L459-S463 PolarHBondContact O-OG 3.39Å; R460-S463 PolarHBondContact O-N 3.48Å; R461-S463 VanDerWaalsContact C-N 3.29Å; R461-S463 PolarHBondContact O-N 2.87Å; S463-R467 WeakPolarHBondContact O-CG 3.48Å; S463-R467 PolarHBondContact O-N 3.18Å
464	L	97.1	Very high	95.1	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-56.4	173.7	179	71.7	0	0	0	109.8	E432 I437 A440 R441 L444 R460 R461 R466 R467 H468	E432-L464 HydrophobicContact CB-CD1 4.18Å; E432-L464 HydrophobicContact CG-CD1 3.8Å; E432-L464 WeakPolarHBondContact OE1-CD1 3.33Å; E432-L464 WeakPolarHBondContact OE2-CD1 3.5Å; I437-L464 HydrophobicContact CG2-CD1 4.25Å; A440-L464 HydrophobicContact CB-CD1 4.39Å; A440-L464 HydrophobicContact CB-CD2 4.1Å; R441-L464 HydrophobicContact CB-CD2 4.45Å; R441-L464 HydrophobicContact CG-CD2 3.66Å; L444-L464 HydrophobicContact CD1-CD2 4.12Å; R460-L464 WeakPolarHBondContact O-CB 3.44Å; R460-L464 PolarHBondContact O-N 3.01Å; R461-L464 WeakPolarHBondContact O-CB 3.46Å; R461-L464 PolarHBondContact O-N 3.22Å; L464-R466 VanDerWaalsContact C-N 3.28Å; L464-R466 PolarHBondContact O-N 3.01Å; L464-R467 PolarHBondContact O-N 3.19Å; L464-R467 VanDerWaalsContact O-N 3.08Å; L464-H468 PolarHBondContact O-CD2 2.9Å; L464-H468 PolarHBondContact O-N 3.47Å; L464-H468 VanDerWaalsContact O-N 3.17Å
465	E	97.7	Very high	95.5	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.065	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-40.7	-180	-63.6	-53.6	159	0	0	112.2	R441 R461 R467 H468 G469 N470 E473 A474 L477	R441-E465 VanDerWaalsContact CD-OE1 3.28Å; R441-E465 WeakPolarHBondContact CD-OE1 3.45Å; R441-E465 WeakPolarHBondContact CG-OE1 3.41Å; R441-E465 IonicContact CZ-OE1 3.59Å; R441-E465 IonicContact CZ-OE2 3.58Å; R441-E465 IonicContact NE-OE1 3.49Å; R441-E465 PolarHBondContact NE-OE1 2.96Å; R441-E465 IonicContact NE-OE2 3.92Å; R441-E465 PolarHBondContact NE-OE2 3.17Å; R441-E465 IonicContact NH2-OE1 3.9Å; R441-E465 IonicContact NH2-OE2 3.94Å; R441-E465 PolarHBondContact NH2-OE2 2.95Å; R461-E465 PolarHBondContact O-N 3.08Å; E465-R467 PolarHBondContact O-N 3.31Å; E465-H468 CarbonylContact O-C 3.51Å; E465-H468 PolarHBondContact O-N 3.2Å; E465-G469 PolarHBondContact O-N 3.21Å; E465-G469 VanDerWaalsContact O-N 3.13Å; E465-N470 HydrophobicContact CB-CB 4.02Å; E465-N470 PolarHBondContact O-N 2.74Å; E465-N470 VanDerWaalsContact OE2-CB 3.28Å; E465-N470 WeakPolarHBondContact OE2-CB 3.38Å; E465-N470 PolarHBondContact OE2-ND2 3.06Å; E465-E473 HydrophobicContact CG-CB 4.2Å; E465-E473 HydrophobicContact CG-CG 3.97Å; E465-A474 HydrophobicContact CB-CB 4.03Å; E465-L477 HydrophobicContact CG-CD1 4.22Å
466	R	96.9	Very high	96	Very high	84 Å²	84	51.2 Å²	51.2	32%	0.317	25%	0.246	S	C	.	.	H	α-helix	trans	-59.9	-45.7	175.4	-179.3	-167.6	62.5	-156.8	-10.6	112.4	V462 L464 H468 G469 L471 I505	V462-R466 VanDerWaalsContact O-CB 3.29Å; V462-R466 WeakPolarHBondContact O-CB 3.48Å; V462-R466 PolarHBondContact O-N 3.17Å; L464-R466 VanDerWaalsContact C-N 3.28Å; L464-R466 PolarHBondContact O-N 3.01Å; R466-H468 PolarHBondContact O-N 3.28Å; R466-G469 PolarHBondContact O-N 3.03Å; R466-L471 HydrophobicContact CG-CD2 4.23Å; R466-I505 HydrophobicContact CG-CG2 4.42Å
467	R	96.4	Very high	96.3	Very high	118 Å²	118	49.2 Å²	49.2	45%	0.445	24%	0.237	S	C	.	.	H	α-helix	trans	-65.2	-29.8	-178.7	-79.2	-170.5	-61.2	-91.3	-5.1	112.2	E432 S463 L464 E465	E432-R467 IonicContact OE1-CZ 3.71Å; E432-R467 IonicContact OE1-NE 3.79Å; E432-R467 PolarHBondContact OE1-NE 2.89Å; E432-R467 IonicContact OE1-NH2 3.66Å; E432-R467 PolarHBondContact OE1-NH2 3.22Å; E432-R467 IonicContact OE2-CZ 3.29Å; E432-R467 IonicContact OE2-NE 3.58Å; E432-R467 IonicContact OE2-NH2 2.83Å; E432-R467 PolarHBondContact OE2-NH2 3.45Å; S463-R467 WeakPolarHBondContact O-CG 3.48Å; S463-R467 PolarHBondContact O-N 3.18Å; L464-R467 PolarHBondContact O-N 3.19Å; L464-R467 VanDerWaalsContact O-N 3.08Å; E465-R467 PolarHBondContact O-N 3.31Å
468	H	96.2	Very high	96.5	Very high	76 Å²	76	49.3 Å²	49.3	35%	0.352	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	12.1	178.6	-63.2	-67	0	0	0	114.3	E432 I437 L464 E465 R466 N470	E432-H468 IonicContact OE1-NE2 2.66Å; E432-H468 PolarHBondContact OE1-NE2 3.49Å; I437-H468 WeakPolarHBondContact CD1-CE1 3.41Å; I437-H468 WeakPolarHBondContact CD1-NE2 3.43Å; L464-H468 PolarHBondContact O-CD2 2.9Å; L464-H468 PolarHBondContact O-N 3.47Å; L464-H468 VanDerWaalsContact O-N 3.17Å; E465-H468 CarbonylContact O-C 3.51Å; E465-H468 PolarHBondContact O-N 3.2Å; R466-H468 PolarHBondContact O-N 3.28Å; H468-N470 VanDerWaalsContact C-N 3.33Å; H468-N470 PolarHBondContact O-N 3.28Å
469	G	95	Very high	96.6	Very high	52 Å²	52	52.1 Å²	52.1	54%	0.536	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	0.3	172.2	0	0	0	0	0	115.9	E465 R466 L471	E465-G469 PolarHBondContact O-N 3.21Å; E465-G469 VanDerWaalsContact O-N 3.13Å; R466-G469 PolarHBondContact O-N 3.03Å; G469-L471 PolarHBondContact O-N 3.31Å
470	N	96.6	Very high	96.7	Very high	72 Å²	72	52.9 Å²	52.9	39%	0.385	26%	0.256	S	S	.	.			trans	-80.6	64.9	177.6	-73	-9.7	0	0	0	111.2	R441 E465 H468 E472 E473 A474	R441-N470 PolarHBondContact NH2-ND2 2.99Å; E465-N470 HydrophobicContact CB-CB 4.02Å; E465-N470 PolarHBondContact O-N 2.74Å; E465-N470 VanDerWaalsContact OE2-CB 3.28Å; E465-N470 WeakPolarHBondContact OE2-CB 3.38Å; E465-N470 PolarHBondContact OE2-ND2 3.06Å; H468-N470 VanDerWaalsContact C-N 3.33Å; H468-N470 PolarHBondContact O-N 3.28Å; N470-E472 VanDerWaalsContact C-N 3.28Å; N470-E472 PolarHBondContact O-N 2.94Å; N470-E473 HydrophobicContact CB-CB 4.4Å; N470-E473 PolarHBondContact O-N 3.23Å; N470-A474 PolarHBondContact O-N 3.29Å
471	L	96.3	Very high	96.7	Very high	58 Å²	58	50 Å²	50	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-66.3	-29.5	-174.8	-59.7	-179.3	0	0	0	113.1	R466 G469 E475 I505 Q506	R466-L471 HydrophobicContact CG-CD2 4.23Å; G469-L471 PolarHBondContact O-N 3.31Å; L471-E475 WeakPolarHBondContact O-CB 3.4Å; L471-E475 PolarHBondContact O-N 3.41Å; L471-I505 HydrophobicContact CD2-CG2 4.05Å; L471-Q506 HydrophobicContact CD1-CG 4.22Å; L471-Q506 PolarHBondContact O-NE2 3.44Å
472	E	96.6	Very high	96.6	Very high	174 Å²	174	48.8 Å²	48.8	81%	0.813	24%	0.242	S	C	*	.	H	α-helix	trans	-65.8	-47.3	176.3	-65.7	-176.7	175.3	0	0	111.3	N470 E475 H476	N470-E472 VanDerWaalsContact C-N 3.28Å; N470-E472 PolarHBondContact O-N 2.94Å; E472-E475 PolarHBondContact O-N 3.06Å; E472-H476 WeakPolarHBondContact O-CB 3.43Å; E472-H476 PolarHBondContact O-N 3.25Å
473	E	97.3	Very high	96.5	Very high	74 Å²	74	56.7 Å²	56.7	35%	0.346	28%	0.276	S	S	.	.	H	α-helix	trans	-67.6	-40.2	177.4	-171.1	57.1	-148.1	0	0	111.2	E465 N470 E475 H476 L477	E465-E473 HydrophobicContact CG-CB 4.2Å; E465-E473 HydrophobicContact CG-CG 3.97Å; N470-E473 HydrophobicContact CB-CB 4.4Å; N470-E473 PolarHBondContact O-N 3.23Å; E473-E475 PolarHBondContact O-N 3.14Å; E473-H476 PolarHBondContact O-N 2.93Å; E473-H476 IonicContact OE1-ND1 3.19Å; E473-H476 IonicContact OE2-ND1 2.93Å; E473-L477 HydrophobicContact CG-CD1 4.35Å; E473-L477 HydrophobicContact CG-CG 4.35Å; E473-L477 WeakPolarHBondContact O-CB 3.35Å; E473-L477 VanDerWaalsContact O-CG 3.26Å; E473-L477 WeakPolarHBondContact O-CG 3.39Å; E473-L477 PolarHBondContact O-N 3.29Å
474	A	97.4	Very high	96.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.7	-39.2	174.7	0	0	0	0	0	112.3	V462 E465 N470	V462-A474 HydrophobicContact CG1-CB 4.21Å; E465-A474 HydrophobicContact CB-CB 4.03Å; N470-A474 PolarHBondContact O-N 3.29Å
475	E	97.1	Very high	96.1	Very high	15 Å²	15	61.5 Å²	61.5	7%	0.07	30%	0.304	C	S	.	.	H	α-helix	trans	-69.1	-49	173.3	168.5	164.4	-168.7	0	0	111.7	L471 E472 E473 L477 L478 Q479 L498 L502 K511	L471-E475 WeakPolarHBondContact O-CB 3.4Å; L471-E475 PolarHBondContact O-N 3.41Å; E472-E475 PolarHBondContact O-N 3.06Å; E473-E475 PolarHBondContact O-N 3.14Å; E475-L477 VanDerWaalsContact C-N 3.31Å; E475-L477 PolarHBondContact O-N 3.19Å; E475-L478 PolarHBondContact O-N 3.18Å; E475-L478 VanDerWaalsContact O-N 3.1Å; E475-Q479 HydrophobicContact CG-CG 4.17Å; E475-Q479 WeakPolarHBondContact O-CG 3.21Å; E475-Q479 PolarHBondContact O-N 2.87Å; E475-Q479 PolarHBondContact OE1-NE2 2.99Å; E475-L498 HydrophobicContact CB-CD1 4.42Å; E475-L498 HydrophobicContact CG-CD1 3.93Å; E475-L502 WeakPolarHBondContact OE2-CD2 3.46Å; E475-K511 WeakPolarHBondContact OE1-CE 3.36Å; E475-K511 IonicContact OE1-NZ 2.77Å; E475-K511 PolarHBondContact OE1-NZ 3.22Å; E475-K511 IonicContact OE2-NZ 2.64Å; E475-K511 PolarHBondContact OE2-NZ 2.89Å
476	H	97.6	Very high	95.8	Very high	94 Å²	94	69.2 Å²	69.2	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-56.1	-44.5	-179.6	177	-106.1	0	0	0	111.9	E472 E473 L478 Q479 D480	E472-H476 WeakPolarHBondContact O-CB 3.43Å; E472-H476 PolarHBondContact O-N 3.25Å; E473-H476 PolarHBondContact O-N 2.93Å; E473-H476 IonicContact OE1-ND1 3.19Å; E473-H476 IonicContact OE2-ND1 2.93Å; H476-L478 VanDerWaalsContact C-N 3.28Å; H476-L478 PolarHBondContact O-N 3.15Å; H476-Q479 PolarHBondContact O-N 3.34Å; H476-Q479 VanDerWaalsContact O-N 3.16Å; H476-D480 WeakPolarHBondContact O-CB 3.25Å; H476-D480 PolarHBondContact O-N 3.04Å
477	L	96.9	Very high	95.5	Very high	6 Å²	6	68 Å²	68	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-58.5	-37.6	177.5	-72.5	173.6	0	0	0	113.2	R458 R461 V462 E465 E473 E475 A481	R458-L477 PolarHBondContact NH1-O 2.71Å; R461-L477 HydrophobicContact CB-CD1 3.91Å; V462-L477 HydrophobicContact CG2-CB 3.75Å; V462-L477 HydrophobicContact CG2-CD1 4.16Å; E465-L477 HydrophobicContact CG-CD1 4.22Å; E473-L477 HydrophobicContact CG-CD1 4.35Å; E473-L477 HydrophobicContact CG-CG 4.35Å; E473-L477 WeakPolarHBondContact O-CB 3.35Å; E473-L477 VanDerWaalsContact O-CG 3.26Å; E473-L477 WeakPolarHBondContact O-CG 3.39Å; E473-L477 PolarHBondContact O-N 3.29Å; E475-L477 VanDerWaalsContact C-N 3.31Å; E475-L477 PolarHBondContact O-N 3.19Å; L477-A481 WeakPolarHBondContact O-CB 3.47Å; L477-A481 PolarHBondContact O-N 3.47Å; L477-A481 VanDerWaalsContact O-N 3.09Å
478	L	97.2	Very high	95.3	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-76.6	-37.9	176.9	-70.6	172.9	0	0	0	111.8	V462 E475 H476 A481 I482 Y494 K497 L498 H501	V462-L478 HydrophobicContact CG1-CD1 4Å; V462-L478 HydrophobicContact CG1-CG 4.19Å; V462-L478 HydrophobicContact CG2-CD1 4.47Å; V462-L478 HydrophobicContact CG2-CD2 3.93Å; V462-L478 HydrophobicContact CG2-CG 3.75Å; E475-L478 PolarHBondContact O-N 3.18Å; E475-L478 VanDerWaalsContact O-N 3.1Å; H476-L478 VanDerWaalsContact C-N 3.28Å; H476-L478 PolarHBondContact O-N 3.15Å; L478-A481 PolarHBondContact O-N 3.13Å; L478-I482 WeakPolarHBondContact O-CD1 3.12Å; L478-I482 WeakPolarHBondContact O-CG1 3.47Å; L478-I482 PolarHBondContact O-N 3.14Å; L478-Y494 HydrophobicContact CD2-CD1 4.31Å; L478-K497 HydrophobicContact CD2-CB 4.18Å; L478-L498 HydrophobicContact CB-CB 4.06Å; L478-L498 HydrophobicContact CB-CD1 4.13Å; L478-L498 HydrophobicContact CD1-CB 4.07Å; L478-L498 HydrophobicContact CD1-CD1 4.19Å; L478-H501 HydrophobicContact CD1-CB 4.44Å
479	Q	96.8	Very high	95.1	Very high	87 Å²	87	68.1 Å²	68.1	41%	0.407	35%	0.353	S	S	.	.	H	α-helix	trans	-61.7	-45.5	174.1	-69.6	-179.9	-3.2	0	0	111.3	E475 H476 A481 I482 K483 L498	E475-Q479 HydrophobicContact CG-CG 4.17Å; E475-Q479 WeakPolarHBondContact O-CG 3.21Å; E475-Q479 PolarHBondContact O-N 2.87Å; E475-Q479 PolarHBondContact OE1-NE2 2.99Å; H476-Q479 PolarHBondContact O-N 3.34Å; H476-Q479 VanDerWaalsContact O-N 3.16Å; Q479-A481 VanDerWaalsContact C-N 3.34Å; Q479-A481 PolarHBondContact O-N 3.38Å; Q479-I482 PolarHBondContact O-N 2.95Å; Q479-K483 WeakPolarHBondContact O-CB 3.44Å; Q479-K483 PolarHBondContact O-N 3.23Å; Q479-L498 HydrophobicContact CG-CD2 3.87Å
480	D	95.7	Very high	94.9	Very high	48 Å²	48	67.6 Å²	67.6	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-59	-44.4	173.8	179	70	0	0	0	111.4	R458 H476 I482 K483 N484	R458-D480 IonicContact CZ-OD2 3.63Å; R458-D480 IonicContact NH1-OD2 2.91Å; R458-D480 PolarHBondContact NH1-OD2 2.96Å; R458-D480 IonicContact NH2-OD2 3.42Å; H476-D480 WeakPolarHBondContact O-CB 3.25Å; H476-D480 PolarHBondContact O-N 3.04Å; D480-I482 VanDerWaalsContact C-N 3.35Å; D480-I482 PolarHBondContact O-N 3.5Å; D480-K483 PolarHBondContact O-N 2.97Å; D480-K483 VanDerWaalsContact O-N 3.16Å; D480-N484 VanDerWaalsContact CG-ND2 3.27Å; D480-N484 WeakPolarHBondContact O-CB 3.48Å; D480-N484 PolarHBondContact O-N 3.39Å; D480-N484 PolarHBondContact O-ND2 3.46Å; D480-N484 PolarHBondContact OD1-ND2 2.97Å; D480-N484 PolarHBondContact OD2-ND2 2.87Å
481	A	94.8	Very high	94.8	Very high	5 Å²	5	64.6 Å²	64.6	4%	0.041	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-37.9	177.1	0	0	0	0	0	113	R458 L477 L478 Q479 A485 Y494	R458-A481 HydrophobicContact CG-CB 4Å; L477-A481 WeakPolarHBondContact O-CB 3.47Å; L477-A481 PolarHBondContact O-N 3.47Å; L477-A481 VanDerWaalsContact O-N 3.09Å; L478-A481 PolarHBondContact O-N 3.13Å; Q479-A481 VanDerWaalsContact C-N 3.34Å; Q479-A481 PolarHBondContact O-N 3.38Å; A481-A485 WeakPolarHBondContact O-CB 3.39Å; A481-A485 PolarHBondContact O-N 3.49Å; A481-A485 VanDerWaalsContact O-N 3.1Å; A481-Y494 HydrophobicContact CB-CD1 3.96Å; A481-Y494 HydrophobicContact CB-CD2 3.72Å; A481-Y494 HydrophobicContact CB-CE1 4.15Å; A481-Y494 HydrophobicContact CB-CE2 3.91Å; A481-Y494 HydrophobicContact CB-CG 3.76Å
482	I	95.6	Very high	94.8	Very high	18 Å²	18	62 Å²	62	9%	0.092	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-41.1	174	-67.5	162.1	0	0	0	110.8	L478 Q479 D480 A495 L498	L478-I482 WeakPolarHBondContact O-CD1 3.12Å; L478-I482 WeakPolarHBondContact O-CG1 3.47Å; L478-I482 PolarHBondContact O-N 3.14Å; Q479-I482 PolarHBondContact O-N 2.95Å; D480-I482 VanDerWaalsContact C-N 3.35Å; D480-I482 PolarHBondContact O-N 3.5Å; I482-A495 HydrophobicContact CD1-CB 4.07Å; I482-A495 HydrophobicContact CG1-CB 4.39Å; I482-L498 HydrophobicContact CD1-CB 4.15Å; I482-L498 HydrophobicContact CD1-CD2 3.62Å
483	K	94.8	Very high	94.8	Very high	174 Å²	174	56 Å²	56	76%	0.757	28%	0.28	S	S	*	.	H	α-helix	trans	-68.3	-40	-178.4	-176.4	-176.2	174.6	-171.8	0	112.3	Q479 D480	Q479-K483 WeakPolarHBondContact O-CB 3.44Å; Q479-K483 PolarHBondContact O-N 3.23Å; D480-K483 PolarHBondContact O-N 2.97Å; D480-K483 VanDerWaalsContact O-N 3.16Å
484	N	92.7	Very high	94.7	Very high	96 Å²	96	52.9 Å²	52.9	51%	0.513	27%	0.265	S	S	.	.	S	Bend	trans	-96.9	5	-175.4	-59.8	-34	0	0	0	113.7	D480	D480-N484 VanDerWaalsContact CG-ND2 3.27Å; D480-N484 WeakPolarHBondContact O-CB 3.48Å; D480-N484 PolarHBondContact O-N 3.39Å; D480-N484 PolarHBondContact O-ND2 3.46Å; D480-N484 PolarHBondContact OD1-ND2 2.97Å; D480-N484 PolarHBondContact OD2-ND2 2.87Å
485	A	92.3	Very high	94.7	Very high	25 Å²	25	52.9 Å²	52.9	21%	0.207	27%	0.265	C	S	.	.			trans	-59.9	138.6	178	0	0	0	0	0	111.5	A481 E490	A481-A485 WeakPolarHBondContact O-CB 3.39Å; A481-A485 PolarHBondContact O-N 3.49Å; A481-A485 VanDerWaalsContact O-N 3.1Å; A485-E490 HydrophobicContact CB-CB 4.19Å; A485-E490 HydrophobicContact CB-CG 3.92Å
486	K	91.1	Very high	94.7	Very high	176 Å²	176	53 Å²	53	77%	0.765	27%	0.266	S	S	*	.	S	Bend	trans	-83.1	-22.5	-178.3	-65.3	-179.2	-179.1	176.5	0	112.8	E490	K486-E490 PolarHBondContact N-OE2 2.92Å
487	S	91.6	Very high	94.7	Very high	57 Å²	57	51.4 Å²	51.4	40%	0.399	26%	0.258	S	S	.	.	S	Bend	trans	-131.6	151.7	-178.7	69.2	0	0	0	0	111.9	N489 E490 S491	S487-N489 VanDerWaalsContact C-N 3.27Å; S487-N489 PolarHBondContact O-N 3.08Å; S487-E490 PolarHBondContact O-N 3.38Å; S487-E490 VanDerWaalsContact O-N 3.15Å; S487-E490 WeakPolarHBondContact OG-CB 3.3Å; S487-E490 PolarHBondContact OG-N 3.34Å; S487-E490 VanDerWaalsContact OG-N 3.15Å; S487-S491 PolarHBondContact O-N 3.41Å
488	N	92	Very high	94.7	Very high	100 Å²	100	51.3 Å²	51.3	54%	0.535	26%	0.258	S	S	.	.	H	α-helix	trans	-57.3	-42.2	175.2	-73.7	-15.2	0	0	0	111.5	E490 S491 S492 D523	N488-E490 VanDerWaalsContact C-N 3.34Å; N488-E490 PolarHBondContact O-N 2.98Å; N488-S491 PolarHBondContact O-N 3.28Å; N488-S492 WeakPolarHBondContact O-CB 3.45Å; N488-S492 PolarHBondContact O-N 2.91Å; N488-S492 PolarHBondContact O-OG 3.27Å; N488-D523 HydrophobicContact CB-CB 4.35Å
489	N	91.1	Very high	94.7	Very high	97 Å²	97	51.2 Å²	51.2	52%	0.519	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-36.9	178.1	-177	51.4	0	0	0	112.8	S487 F493 N526	S487-N489 VanDerWaalsContact C-N 3.27Å; S487-N489 PolarHBondContact O-N 3.08Å; N489-F493 WeakPolarHBondContact O-CB 3.46Å; N489-F493 PolarHBondContact O-N 2.93Å; N489-N526 PolarHBondContact OD1-ND2 3.21Å
490	E	91.9	Very high	94.7	Very high	42 Å²	42	50.3 Å²	50.3	20%	0.196	25%	0.25	C	S	.	.	H	α-helix	trans	-67.3	-46.1	173.9	179	-178.4	-156.4	0	0	111.6	A485 K486 S487 N488 S492 F493 Y494	A485-E490 HydrophobicContact CB-CB 4.19Å; A485-E490 HydrophobicContact CB-CG 3.92Å; K486-E490 PolarHBondContact N-OE2 2.92Å; S487-E490 PolarHBondContact O-N 3.38Å; S487-E490 VanDerWaalsContact O-N 3.15Å; S487-E490 WeakPolarHBondContact OG-CB 3.3Å; S487-E490 PolarHBondContact OG-N 3.34Å; S487-E490 VanDerWaalsContact OG-N 3.15Å; N488-E490 VanDerWaalsContact C-N 3.34Å; N488-E490 PolarHBondContact O-N 2.98Å; E490-S492 VanDerWaalsContact C-N 3.31Å; E490-S492 PolarHBondContact O-N 3.24Å; E490-F493 WeakPolarHBondContact O-CB 3.35Å; E490-F493 PolarHBondContact O-N 2.91Å; E490-F493 VanDerWaalsContact O-N 3.16Å; E490-Y494 HydrophobicContact CG-CD2 3.95Å; E490-Y494 HydrophobicContact CG-CE2 3.49Å; E490-Y494 VanDerWaalsContact CG-CE2 3.49Å; E490-Y494 VanDerWaalsContact O-CD2 3.29Å; E490-Y494 WeakPolarHBondContact O-CD2 3.47Å; E490-Y494 PolarHBondContact O-N 3.49Å
491	S	95.3	Very high	94.6	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.063	24%	0.241	C	C	.	.	H	α-helix	trans	-56.8	-46.4	173.4	165.6	0	0	0	0	111	S487 N488 F493 Y494 A495 R522	S487-S491 PolarHBondContact O-N 3.41Å; N488-S491 PolarHBondContact O-N 3.28Å; S491-F493 VanDerWaalsContact C-N 3.33Å; S491-F493 PolarHBondContact O-N 3.48Å; S491-Y494 PolarHBondContact O-N 2.85Å; S491-A495 WeakPolarHBondContact O-CB 3.35Å; S491-A495 PolarHBondContact O-N 3.06Å; S491-R522 PolarHBondContact OG-NH1 3.18Å; S491-R522 VanDerWaalsContact OG-NH1 3.1Å
492	S	95.9	Very high	94.7	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-60.3	-41.4	176.4	-66.1	0	0	0	0	111.9	N488 E490 A495 V496 D523 N526	N488-S492 WeakPolarHBondContact O-CB 3.45Å; N488-S492 PolarHBondContact O-N 2.91Å; N488-S492 PolarHBondContact O-OG 3.27Å; E490-S492 VanDerWaalsContact C-N 3.31Å; E490-S492 PolarHBondContact O-N 3.24Å; S492-A495 PolarHBondContact O-N 3.2Å; S492-V496 WeakPolarHBondContact O-CG2 3.46Å; S492-V496 PolarHBondContact O-N 2.68Å; S492-D523 WeakPolarHBondContact CB-OD2 3.46Å; S492-D523 WeakPolarHBondContact OG-CB 3.26Å; S492-D523 PolarHBondContact OG-OD2 3.47Å; S492-N526 WeakPolarHBondContact CB-ND2 3.42Å
493	F	95.4	Very high	94.6	Very high	49 Å²	49	48.9 Å²	48.9	22%	0.215	24%	0.24	C	C	.	.	H	α-helix	trans	-59	-51	174.9	169.3	-97.3	0	0	0	111.8	A455 L459 N489 E490 S491 A495 V496 K497	A455-F493 HydrophobicContact CB-CE1 3.94Å; A455-F493 HydrophobicContact CB-CZ 4.49Å; L459-F493 HydrophobicContact CD1-CE1 4.36Å; L459-F493 HydrophobicContact CD1-CZ 3.97Å; N489-F493 WeakPolarHBondContact O-CB 3.46Å; N489-F493 PolarHBondContact O-N 2.93Å; E490-F493 WeakPolarHBondContact O-CB 3.35Å; E490-F493 PolarHBondContact O-N 2.91Å; E490-F493 VanDerWaalsContact O-N 3.16Å; S491-F493 VanDerWaalsContact C-N 3.33Å; S491-F493 PolarHBondContact O-N 3.48Å; F493-A495 VanDerWaalsContact C-N 3.34Å; F493-A495 PolarHBondContact O-N 3.06Å; F493-V496 PolarHBondContact O-N 2.94Å; F493-K497 HydrophobicContact CE1-CG 4.39Å; F493-K497 VanDerWaalsContact CE2-CE 3.49Å; F493-K497 HydrophobicContact CZ-CG 4.35Å; F493-K497 WeakPolarHBondContact O-CG 3.32Å; F493-K497 PolarHBondContact O-N 2.9Å
494	Y	96.8	Very high	94.6	Very high	7 Å²	7	44.9 Å²	44.9	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-35.2	178.6	-67.1	-57.8	0	0	0	112.5	A455 R458 L478 A481 E490 S491 V496 K497 L498	A455-Y494 WeakPolarHBondContact CA-OH 3.34Å; A455-Y494 HydrophobicContact CB-CE1 4.37Å; R458-Y494 HydrophobicContact CB-CE1 4.31Å; R458-Y494 HydrophobicContact CG-CE1 4.15Å; L478-Y494 HydrophobicContact CD2-CD1 4.31Å; A481-Y494 HydrophobicContact CB-CD1 3.96Å; A481-Y494 HydrophobicContact CB-CD2 3.72Å; A481-Y494 HydrophobicContact CB-CE1 4.15Å; A481-Y494 HydrophobicContact CB-CE2 3.91Å; A481-Y494 HydrophobicContact CB-CG 3.76Å; E490-Y494 HydrophobicContact CG-CD2 3.95Å; E490-Y494 HydrophobicContact CG-CE2 3.49Å; E490-Y494 VanDerWaalsContact CG-CE2 3.49Å; E490-Y494 VanDerWaalsContact O-CD2 3.29Å; E490-Y494 WeakPolarHBondContact O-CD2 3.47Å; E490-Y494 PolarHBondContact O-N 3.49Å; S491-Y494 PolarHBondContact O-N 2.85Å; Y494-V496 VanDerWaalsContact C-N 3.34Å; Y494-V496 PolarHBondContact O-N 3.21Å; Y494-K497 PolarHBondContact O-N 3.37Å; Y494-K497 VanDerWaalsContact O-N 3.13Å; Y494-L498 WeakPolarHBondContact O-CB 3.44Å; Y494-L498 PolarHBondContact O-N 3.13Å
495	A	97.5	Very high	94.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-41	174.5	0	0	0	0	0	112.3	I482 S491 S492 F493 K497 L498 A499 V515 A519	I482-A495 HydrophobicContact CD1-CB 4.07Å; I482-A495 HydrophobicContact CG1-CB 4.39Å; S491-A495 WeakPolarHBondContact O-CB 3.35Å; S491-A495 PolarHBondContact O-N 3.06Å; S492-A495 PolarHBondContact O-N 3.2Å; F493-A495 VanDerWaalsContact C-N 3.34Å; F493-A495 PolarHBondContact O-N 3.06Å; A495-K497 VanDerWaalsContact C-N 3.33Å; A495-K497 PolarHBondContact O-N 2.98Å; A495-L498 PolarHBondContact O-N 3.34Å; A495-A499 WeakPolarHBondContact O-CB 3.34Å; A495-A499 PolarHBondContact O-N 2.94Å; A495-V515 HydrophobicContact CB-CG1 4.23Å; A495-A519 HydrophobicContact CB-CB 3.62Å
496	V	97	Very high	94.7	Very high	17 Å²	17	45.5 Å²	45.5	10%	0.103	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-43.2	172.8	169.4	0	0	0	0	111.2	S492 F493 Y494 A499 R500 L516 L529 N532	S492-V496 WeakPolarHBondContact O-CG2 3.46Å; S492-V496 PolarHBondContact O-N 2.68Å; F493-V496 PolarHBondContact O-N 2.94Å; Y494-V496 VanDerWaalsContact C-N 3.34Å; Y494-V496 PolarHBondContact O-N 3.21Å; V496-A499 PolarHBondContact O-N 3.07Å; V496-R500 WeakPolarHBondContact O-CG 3.41Å; V496-R500 PolarHBondContact O-N 3.05Å; V496-L516 HydrophobicContact CG2-CD2 4.26Å; V496-L529 HydrophobicContact CG2-CD2 3.73Å; V496-N532 HydrophobicContact CG1-CB 4.33Å; V496-N532 VanDerWaalsContact CG1-OD1 3.27Å; V496-N532 WeakPolarHBondContact CG1-OD1 3.5Å; V496-N532 HydrophobicContact CG2-CB 4.47Å
497	K	96.8	Very high	94.9	Very high	62 Å²	62	44.7 Å²	44.7	27%	0.27	22%	0.217	S	C	.	.	H	α-helix	trans	-65.7	-41.5	178.9	-61	-60.5	-176.1	-177.7	0	111.7	L459 L478 F493 Y494 A495 R500 H501	L459-K497 HydrophobicContact CD2-CB 4.49Å; L459-K497 HydrophobicContact CD2-CD 4.44Å; L459-K497 HydrophobicContact CD2-CG 4.1Å; L478-K497 HydrophobicContact CD2-CB 4.18Å; F493-K497 HydrophobicContact CE1-CG 4.39Å; F493-K497 VanDerWaalsContact CE2-CE 3.49Å; F493-K497 HydrophobicContact CZ-CG 4.35Å; F493-K497 WeakPolarHBondContact O-CG 3.32Å; F493-K497 PolarHBondContact O-N 2.9Å; Y494-K497 PolarHBondContact O-N 3.37Å; Y494-K497 VanDerWaalsContact O-N 3.13Å; A495-K497 VanDerWaalsContact C-N 3.33Å; A495-K497 PolarHBondContact O-N 2.98Å; K497-R500 PolarHBondContact O-N 3.21Å; K497-H501 WeakPolarHBondContact O-CB 3.29Å; K497-H501 PolarHBondContact O-N 3.42Å
498	L	97.6	Very high	95	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-49.6	175.4	178	57.4	0	0	0	111.4	E475 L478 Q479 I482 Y494 A495 R500 H501 L502 V515	E475-L498 HydrophobicContact CB-CD1 4.42Å; E475-L498 HydrophobicContact CG-CD1 3.93Å; L478-L498 HydrophobicContact CB-CB 4.06Å; L478-L498 HydrophobicContact CB-CD1 4.13Å; L478-L498 HydrophobicContact CD1-CB 4.07Å; L478-L498 HydrophobicContact CD1-CD1 4.19Å; Q479-L498 HydrophobicContact CG-CD2 3.87Å; I482-L498 HydrophobicContact CD1-CB 4.15Å; I482-L498 HydrophobicContact CD1-CD2 3.62Å; Y494-L498 WeakPolarHBondContact O-CB 3.44Å; Y494-L498 PolarHBondContact O-N 3.13Å; A495-L498 PolarHBondContact O-N 3.34Å; L498-R500 VanDerWaalsContact C-N 3.32Å; L498-R500 PolarHBondContact O-N 2.9Å; L498-H501 WeakPolarHBondContact O-CB 3.45Å; L498-H501 PolarHBondContact O-N 3.23Å; L498-H501 VanDerWaalsContact O-N 3.14Å; L498-L502 HydrophobicContact CD1-CD1 3.89Å; L498-L502 HydrophobicContact CD1-CD2 4.45Å; L498-L502 HydrophobicContact CD1-CG 3.92Å; L498-L502 HydrophobicContact CG-CD1 3.91Å; L498-L502 HydrophobicContact CG-CG 4.36Å; L498-L502 WeakPolarHBondContact O-CB 3.26Å; L498-L502 WeakPolarHBondContact O-CG 3.31Å; L498-L502 PolarHBondContact O-N 3.44Å; L498-V515 HydrophobicContact CB-CG1 4.32Å; L498-V515 HydrophobicContact CD2-CG1 3.97Å; L498-V515 HydrophobicContact CD2-CG2 4Å; L498-V515 HydrophobicContact CG-CG1 4.16Å; L498-V515 HydrophobicContact CG-CG2 4.34Å
499	A	97.1	Very high	95	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-42.7	179.6	0	0	0	0	0	111.9	A495 V496 L502 F503 S512 V515 L516 M536	A495-A499 WeakPolarHBondContact O-CB 3.34Å; A495-A499 PolarHBondContact O-N 2.94Å; V496-A499 PolarHBondContact O-N 3.07Å; A499-L502 PolarHBondContact O-N 2.67Å; A499-F503 VanDerWaalsContact O-CB 3.26Å; A499-F503 WeakPolarHBondContact O-CB 3.35Å; A499-F503 PolarHBondContact O-N 3.14Å; A499-S512 VanDerWaalsContact O-CB 3.23Å; A499-S512 WeakPolarHBondContact O-CB 3.46Å; A499-V515 HydrophobicContact CB-CG1 4.26Å; A499-L516 HydrophobicContact CB-CD1 4.36Å; A499-L516 HydrophobicContact CB-CD2 3.84Å; A499-L516 HydrophobicContact CB-CG 3.67Å; A499-M536 HydrophobicContact CB-CE 3.91Å
500	R	95.3	Very high	95	Very high	68 Å²	68	41.4 Å²	41.4	26%	0.257	20%	0.199	S	C	.	.	H	α-helix	trans	-64.5	-40.4	174.9	-75.9	-169.1	-179.8	-102.7	1.5	112.8	V496 K497 L498 K504 N532 E535	V496-R500 WeakPolarHBondContact O-CG 3.41Å; V496-R500 PolarHBondContact O-N 3.05Å; K497-R500 PolarHBondContact O-N 3.21Å; L498-R500 VanDerWaalsContact C-N 3.32Å; L498-R500 PolarHBondContact O-N 2.9Å; R500-K504 WeakPolarHBondContact O-CB 3.5Å; R500-K504 PolarHBondContact O-N 2.79Å; R500-N532 PolarHBondContact NE-OD1 2.78Å; R500-N532 PolarHBondContact NH2-OD1 3.41Å; R500-E535 IonicContact CZ-OE1 2.61Å; R500-E535 IonicContact CZ-OE2 2.78Å; R500-E535 IonicContact NH1-OE1 3.5Å; R500-E535 PolarHBondContact NH1-OE1 3.19Å; R500-E535 IonicContact NH1-OE2 2.93Å; R500-E535 VanDerWaalsContact NH2-CD 3.33Å; R500-E535 IonicContact NH2-OE1 3.94Å; R500-E535 PolarHBondContact NH2-OE1 3.4Å; R500-E535 IonicContact NH2-OE2 3.96Å; R500-E535 PolarHBondContact NH2-OE2 3Å
501	H	94.8	Very high	95.2	Very high	11 Å²	11	43 Å²	43	5%	0.051	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-51.9	175.8	176.1	82.6	0	0	0	110.9	L478 K497 L498 F503 I505 Q506	L478-H501 HydrophobicContact CD1-CB 4.44Å; K497-H501 WeakPolarHBondContact O-CB 3.29Å; K497-H501 PolarHBondContact O-N 3.42Å; L498-H501 WeakPolarHBondContact O-CB 3.45Å; L498-H501 PolarHBondContact O-N 3.23Å; L498-H501 VanDerWaalsContact O-N 3.14Å; H501-F503 VanDerWaalsContact C-N 3.35Å; H501-F503 PolarHBondContact O-N 3.25Å; H501-I505 WeakPolarHBondContact O-CA 3.23Å; H501-I505 WeakPolarHBondContact O-CB 3.21Å; H501-I505 PolarHBondContact O-N 3.02Å; H501-Q506 PolarHBondContact NE2-NE2 3.07Å; H501-Q506 PolarHBondContact O-N 2.88Å
502	L	95.6	Very high	95.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-44.6	178.3	-69.2	174.1	0	0	0	112.3	E475 L498 A499 Q506 K507 N508 K511 V515	E475-L502 WeakPolarHBondContact OE2-CD2 3.46Å; L498-L502 HydrophobicContact CD1-CD1 3.89Å; L498-L502 HydrophobicContact CD1-CD2 4.45Å; L498-L502 HydrophobicContact CD1-CG 3.92Å; L498-L502 HydrophobicContact CG-CD1 3.91Å; L498-L502 HydrophobicContact CG-CG 4.36Å; L498-L502 WeakPolarHBondContact O-CB 3.26Å; L498-L502 WeakPolarHBondContact O-CG 3.31Å; L498-L502 PolarHBondContact O-N 3.44Å; A499-L502 PolarHBondContact O-N 2.67Å; L502-Q506 CarbonylContact O-C 3.57Å; L502-Q506 WeakPolarHBondContact O-CB 3.31Å; L502-Q506 PolarHBondContact O-N 3.25Å; L502-K507 PolarHBondContact O-N 3.28Å; L502-N508 PolarHBondContact O-N 3.27Å; L502-K511 HydrophobicContact CD1-CB 4.43Å; L502-K511 HydrophobicContact CD1-CD 4.15Å; L502-K511 HydrophobicContact CD1-CG 3.95Å; L502-K511 HydrophobicContact CD2-CD 4.06Å; L502-V515 HydrophobicContact CD1-CG2 3.94Å
503	F	94.9	Very high	95.1	Very high	29 Å²	29	45.2 Å²	45.2	13%	0.127	21%	0.212	C	C	.	.	H	α-helix	trans	-71.7	-56.1	-178.3	173.2	-129.2	0	0	0	112.8	A499 H501 K507 L509 M536	A499-F503 VanDerWaalsContact O-CB 3.26Å; A499-F503 WeakPolarHBondContact O-CB 3.35Å; A499-F503 PolarHBondContact O-N 3.14Å; H501-F503 VanDerWaalsContact C-N 3.35Å; H501-F503 PolarHBondContact O-N 3.25Å; F503-K507 VanDerWaalsContact O-CA 3.28Å; F503-K507 WeakPolarHBondContact O-CA 3.38Å; F503-K507 PolarHBondContact O-N 3.07Å; F503-L509 HydrophobicContact CD2-CB 4.21Å; F503-L509 HydrophobicContact CD2-CD1 3.83Å; F503-L509 HydrophobicContact CE2-CB 4.48Å; F503-L509 HydrophobicContact CE2-CD1 3.95Å; F503-M536 HydrophobicContact CB-SD 3.71Å; F503-M536 HydrophobicContact CD1-CB 4.37Å; F503-M536 HydrophobicContact CD1-CG 3.49Å; F503-M536 VanDerWaalsContact CD1-CG 3.49Å; F503-M536 HydrophobicContact CD1-SD 3.79Å; F503-M536 HydrophobicContact CE1-CB 4.3Å; F503-M536 HydrophobicContact CE1-CG 3.78Å; F503-M536 HydrophobicContact CG-CG 4.08Å; F503-M536 HydrophobicContact CG-SD 3.86Å
504	K	93.8	Very high	95.1	Very high	91 Å²	91	49.1 Å²	49.1	40%	0.396	23%	0.229	S	C	.	.	H	α-helix	trans	-81.4	-31.4	-170.5	-68.4	-62.4	-168.9	-174.2	0	112.8	R500 K507 S539	R500-K504 WeakPolarHBondContact O-CB 3.5Å; R500-K504 PolarHBondContact O-N 2.79Å; K504-K507 WeakPolarHBondContact O-CE 3.07Å; K504-K507 PolarHBondContact O-NZ 3.31Å; K504-S539 PolarHBondContact NZ-OG 2.73Å
505	I	94.2	Very high	95.1	Very high	78 Å²	78	49.6 Å²	49.6	40%	0.4	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-59.6	-177	-48.7	-58.1	0	0	0	110.5	R466 L471 H501 K507	R466-I505 HydrophobicContact CG-CG2 4.42Å; L471-I505 HydrophobicContact CD2-CG2 4.05Å; H501-I505 WeakPolarHBondContact O-CA 3.23Å; H501-I505 WeakPolarHBondContact O-CB 3.21Å; H501-I505 PolarHBondContact O-N 3.02Å; I505-K507 VanDerWaalsContact C-N 3.29Å; I505-K507 PolarHBondContact O-N 3.36Å
506	Q	94	Very high	95.1	Very high	55 Å²	55	49.6 Å²	49.6	26%	0.257	23%	0.232	S	C	.	.	S	Bend	trans	-80.4	-5.6	-177.8	-61.8	-174.5	5.8	0	0	114.3	L471 H501 L502 N508	L471-Q506 HydrophobicContact CD1-CG 4.22Å; L471-Q506 PolarHBondContact O-NE2 3.44Å; H501-Q506 PolarHBondContact NE2-NE2 3.07Å; H501-Q506 PolarHBondContact O-N 2.88Å; L502-Q506 CarbonylContact O-C 3.57Å; L502-Q506 WeakPolarHBondContact O-CB 3.31Å; L502-Q506 PolarHBondContact O-N 3.25Å; Q506-N508 PolarHBondContact O-N 3.27Å
507	K	93.9	Very high	94.9	Very high	159 Å²	159	51.2 Å²	51.2	69%	0.691	24%	0.24	S	C	*	.			trans	57.7	25.2	-178.7	-50.2	-54.3	-174.1	-172.6	0	114.6	L502 F503 K504 I505 L509	L502-K507 PolarHBondContact O-N 3.28Å; F503-K507 VanDerWaalsContact O-CA 3.28Å; F503-K507 WeakPolarHBondContact O-CA 3.38Å; F503-K507 PolarHBondContact O-N 3.07Å; K504-K507 WeakPolarHBondContact O-CE 3.07Å; K504-K507 PolarHBondContact O-NZ 3.31Å; I505-K507 VanDerWaalsContact C-N 3.29Å; I505-K507 PolarHBondContact O-N 3.36Å; K507-L509 PolarHBondContact O-N 3.46Å
508	N	94.1	Very high	94.9	Very high	58 Å²	58	52.1 Å²	52.1	31%	0.31	25%	0.246	S	C	.	.			trans	-100.8	79.5	-178.7	-165.6	-26.2	0	0	0	111.5	L502 Q506 P510 K511 S512	L502-N508 PolarHBondContact O-N 3.27Å; Q506-N508 PolarHBondContact O-N 3.27Å; N508-P510 WeakPolarHBondContact OD1-CD 3.48Å; N508-K511 HydrophobicContact CB-CB 4.24Å; N508-K511 VanDerWaalsContact CG-CB 3.41Å; N508-K511 PolarHBondContact O-N 3.08Å; N508-K511 WeakPolarHBondContact OD1-CB 3.21Å; N508-K511 PolarHBondContact OD1-N 3.14Å; N508-S512 PolarHBondContact O-N 2.9Å; N508-S512 PolarHBondContact O-OG 3.38Å
509	L	91.4	Very high	94.8	Very high	40 Å²	40	52 Å²	52	21%	0.209	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-43.2	178.6	179	65.1	0	0	0	113.7	F503 K507 K511 S512 R513 M536	F503-L509 HydrophobicContact CD2-CB 4.21Å; F503-L509 HydrophobicContact CD2-CD1 3.83Å; F503-L509 HydrophobicContact CE2-CB 4.48Å; F503-L509 HydrophobicContact CE2-CD1 3.95Å; K507-L509 PolarHBondContact O-N 3.46Å; L509-K511 VanDerWaalsContact C-N 3.31Å; L509-K511 PolarHBondContact O-N 3.31Å; L509-S512 WeakPolarHBondContact CA-OG 3.14Å; L509-S512 PolarHBondContact O-N 3Å; L509-S512 PolarHBondContact O-OG 3.24Å; L509-R513 WeakPolarHBondContact O-CB 3.22Å; L509-R513 PolarHBondContact O-N 2.91Å; L509-M536 HydrophobicContact CD1-CB 4.43Å
510	P	92.9	Very high	94.7	Very high	88 Å²	88	52.1 Å²	52.1	57%	0.571	25%	0.245	S	C	*	.	H	α-helix	trans	-59.8	-41.9	178.8	-25.6	35.4	0	0	0	112.7	N508 K514	N508-P510 WeakPolarHBondContact OD1-CD 3.48Å; P510-K514 PolarHBondContact O-N 3.34Å
511	K	95.2	Very high	94.6	Very high	75 Å²	75	55 Å²	55	33%	0.326	26%	0.262	S	S	.	.	H	α-helix	trans	-70.3	-41.2	178.9	-164.6	180	177.8	-174.1	0	111.7	E475 L502 N508 L509 R513 K514 V515	E475-K511 WeakPolarHBondContact OE1-CE 3.36Å; E475-K511 IonicContact OE1-NZ 2.77Å; E475-K511 PolarHBondContact OE1-NZ 3.22Å; E475-K511 IonicContact OE2-NZ 2.64Å; E475-K511 PolarHBondContact OE2-NZ 2.89Å; L502-K511 HydrophobicContact CD1-CB 4.43Å; L502-K511 HydrophobicContact CD1-CD 4.15Å; L502-K511 HydrophobicContact CD1-CG 3.95Å; L502-K511 HydrophobicContact CD2-CD 4.06Å; N508-K511 HydrophobicContact CB-CB 4.24Å; N508-K511 VanDerWaalsContact CG-CB 3.41Å; N508-K511 PolarHBondContact O-N 3.08Å; N508-K511 WeakPolarHBondContact OD1-CB 3.21Å; N508-K511 PolarHBondContact OD1-N 3.14Å; L509-K511 VanDerWaalsContact C-N 3.31Å; L509-K511 PolarHBondContact O-N 3.31Å; K511-R513 VanDerWaalsContact C-N 3.34Å; K511-R513 PolarHBondContact O-N 2.99Å; K511-K514 PolarHBondContact O-N 3.06Å; K511-V515 WeakPolarHBondContact O-CG2 3.45Å; K511-V515 PolarHBondContact O-N 2.9Å
512	S	95.1	Very high	94.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-39.6	176.1	66.9	0	0	0	0	112.4	A499 N508 L509 V515 L516	A499-S512 VanDerWaalsContact O-CB 3.23Å; A499-S512 WeakPolarHBondContact O-CB 3.46Å; N508-S512 PolarHBondContact O-N 2.9Å; N508-S512 PolarHBondContact O-OG 3.38Å; L509-S512 WeakPolarHBondContact CA-OG 3.14Å; L509-S512 PolarHBondContact O-N 3Å; L509-S512 PolarHBondContact O-OG 3.24Å; S512-V515 PolarHBondContact O-N 3Å; S512-L516 PolarHBondContact O-N 3.37Å; S512-L516 VanDerWaalsContact O-N 3.16Å
513	R	93.8	Very high	94.4	Very high	59 Å²	59	60.6 Å²	60.6	22%	0.223	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-48.1	174	-175.6	-176.7	-63.2	131.2	-2.6	111.2	L509 K511 V515 L516 L517 L533 E537	L509-R513 WeakPolarHBondContact O-CB 3.22Å; L509-R513 PolarHBondContact O-N 2.91Å; K511-R513 VanDerWaalsContact C-N 3.34Å; K511-R513 PolarHBondContact O-N 2.99Å; R513-V515 VanDerWaalsContact C-N 3.34Å; R513-V515 PolarHBondContact O-N 2.65Å; R513-L516 PolarHBondContact O-N 3.06Å; R513-L517 HydrophobicContact CG-CD1 3.93Å; R513-L517 HydrophobicContact CG-CG 4.37Å; R513-L517 WeakPolarHBondContact O-CG 3.33Å; R513-L517 PolarHBondContact O-N 2.98Å; R513-L533 HydrophobicContact CG-CD1 4.09Å; R513-E537 IonicContact CZ-OE1 3.23Å; R513-E537 VanDerWaalsContact CZ-OE1 3.23Å; R513-E537 IonicContact CZ-OE2 3.79Å; R513-E537 IonicContact NE-OE1 3.29Å; R513-E537 PolarHBondContact NE-OE1 3.24Å; R513-E537 IonicContact NE-OE2 3.89Å; R513-E537 VanDerWaalsContact NH2-CD 3.28Å; R513-E537 IonicContact NH2-OE1 2.92Å; R513-E537 PolarHBondContact NH2-OE1 2.64Å; R513-E537 IonicContact NH2-OE2 2.81Å; R513-E537 PolarHBondContact NH2-OE2 2.84Å
514	K	95.6	Very high	94.3	Very high	130 Å²	130	64.5 Å²	64.5	57%	0.565	30%	0.301	S	S	*	.	H	α-helix	trans	-55.9	-47.7	177.1	-178.7	175.2	172.1	177.6	0	111.7	P510 K511 L516 L517 E518	P510-K514 PolarHBondContact O-N 3.34Å; K511-K514 PolarHBondContact O-N 3.06Å; K514-L516 VanDerWaalsContact C-N 3.34Å; K514-L516 PolarHBondContact O-N 2.79Å; K514-L517 PolarHBondContact O-N 3.38Å; K514-E518 WeakPolarHBondContact CE-OE1 3.3Å; K514-E518 HydrophobicContact CG-CG 4.48Å; K514-E518 WeakPolarHBondContact CG-OE1 3.22Å; K514-E518 IonicContact NZ-OE1 2.7Å; K514-E518 WeakPolarHBondContact O-CG 3.37Å; K514-E518 PolarHBondContact O-N 3.41Å
515	V	97.1	Very high	94.2	Very high	17 Å²	17	66.5 Å²	66.5	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-57.1	-44.7	177.7	168.9	0	0	0	0	112	A495 L498 A499 L502 K511 S512 R513 A519	A495-V515 HydrophobicContact CB-CG1 4.23Å; L498-V515 HydrophobicContact CB-CG1 4.32Å; L498-V515 HydrophobicContact CD2-CG1 3.97Å; L498-V515 HydrophobicContact CD2-CG2 4Å; L498-V515 HydrophobicContact CG-CG1 4.16Å; L498-V515 HydrophobicContact CG-CG2 4.34Å; A499-V515 HydrophobicContact CB-CG1 4.26Å; L502-V515 HydrophobicContact CD1-CG2 3.94Å; K511-V515 WeakPolarHBondContact O-CG2 3.45Å; K511-V515 PolarHBondContact O-N 2.9Å; S512-V515 PolarHBondContact O-N 3Å; R513-V515 VanDerWaalsContact C-N 3.34Å; R513-V515 PolarHBondContact O-N 2.65Å; V515-A519 WeakPolarHBondContact O-CB 3.34Å; V515-A519 PolarHBondContact O-N 2.92Å
516	L	96.1	Very high	94.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-69.2	-38.5	178.1	-76.3	-168.6	0	0	0	113.1	V496 A499 S512 R513 K514 A519 I520 L529 N532 L533 M536	V496-L516 HydrophobicContact CG2-CD2 4.26Å; A499-L516 HydrophobicContact CB-CD1 4.36Å; A499-L516 HydrophobicContact CB-CD2 3.84Å; A499-L516 HydrophobicContact CB-CG 3.67Å; S512-L516 PolarHBondContact O-N 3.37Å; S512-L516 VanDerWaalsContact O-N 3.16Å; R513-L516 PolarHBondContact O-N 3.06Å; K514-L516 VanDerWaalsContact C-N 3.34Å; K514-L516 PolarHBondContact O-N 2.79Å; L516-A519 PolarHBondContact O-N 2.77Å; L516-I520 VanDerWaalsContact O-CG1 3.26Å; L516-I520 WeakPolarHBondContact O-CG1 3.47Å; L516-I520 PolarHBondContact O-N 3.14Å; L516-L529 HydrophobicContact CD2-CD2 4.05Å; L516-N532 HydrophobicContact CD1-CB 4.15Å; L516-L533 HydrophobicContact CB-CD1 4.48Å; L516-L533 VanDerWaalsContact CD1-CA 3.46Å; L516-L533 HydrophobicContact CD1-CB 3.68Å; L516-L533 HydrophobicContact CD1-CD1 4.17Å; L516-M536 HydrophobicContact CD1-CE 3.11Å; L516-M536 HydrophobicContact CG-CE 3.95Å
517	L	94.4	Very high	94.1	Very high	52 Å²	52	62.8 Å²	62.8	27%	0.272	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-43.7	177.4	-68.5	172.2	0	0	0	111.2	R513 K514 A519 I520 E521 L533 K555	R513-L517 HydrophobicContact CG-CD1 3.93Å; R513-L517 HydrophobicContact CG-CG 4.37Å; R513-L517 WeakPolarHBondContact O-CG 3.33Å; R513-L517 PolarHBondContact O-N 2.98Å; K514-L517 PolarHBondContact O-N 3.38Å; L517-A519 VanDerWaalsContact C-N 3.28Å; L517-A519 PolarHBondContact O-N 2.79Å; L517-I520 PolarHBondContact O-N 3.11Å; L517-E521 WeakPolarHBondContact O-CG 3.43Å; L517-E521 PolarHBondContact O-N 3.48Å; L517-L533 HydrophobicContact CD2-CD2 4.07Å; L517-K555 HydrophobicContact CD2-CD 4.43Å
518	E	95.8	Very high	94.1	Very high	81 Å²	81	61.4 Å²	61.4	38%	0.379	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-32.9	173.8	-71.5	175.2	-173.4	0	0	112.4	K514 R522	K514-E518 WeakPolarHBondContact CE-OE1 3.3Å; K514-E518 HydrophobicContact CG-CG 4.48Å; K514-E518 WeakPolarHBondContact CG-OE1 3.22Å; K514-E518 IonicContact NZ-OE1 2.7Å; K514-E518 WeakPolarHBondContact O-CG 3.37Å; K514-E518 PolarHBondContact O-N 3.41Å; E518-R522 PolarHBondContact O-N 3.02Å; E518-R522 PolarHBondContact O-NE 3.44Å
519	A	96.1	Very high	94.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-71.2	-40.9	173.7	0	0	0	0	0	111.8	A495 V515 L516 L517 E521 R522 D523 L529	A495-A519 HydrophobicContact CB-CB 3.62Å; V515-A519 WeakPolarHBondContact O-CB 3.34Å; V515-A519 PolarHBondContact O-N 2.92Å; L516-A519 PolarHBondContact O-N 2.77Å; L517-A519 VanDerWaalsContact C-N 3.28Å; L517-A519 PolarHBondContact O-N 2.79Å; A519-E521 VanDerWaalsContact C-N 3.3Å; A519-E521 PolarHBondContact O-N 3.5Å; A519-R522 PolarHBondContact O-N 3.03Å; A519-R522 VanDerWaalsContact O-N 3.17Å; A519-D523 PolarHBondContact O-N 3.24Å; A519-L529 HydrophobicContact CB-CD1 4Å; A519-L529 HydrophobicContact CB-CD2 3.77Å
520	I	94.7	Very high	94.3	Very high	3 Å²	3	57 Å²	57	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-63.6	-37.4	177	-72.3	166.4	0	0	0	110.9	L516 L517 R522 D523 K524 L529 Y530 L533	L516-I520 VanDerWaalsContact O-CG1 3.26Å; L516-I520 WeakPolarHBondContact O-CG1 3.47Å; L516-I520 PolarHBondContact O-N 3.14Å; L517-I520 PolarHBondContact O-N 3.11Å; I520-R522 PolarHBondContact O-N 2.81Å; I520-D523 CarbonylContact O-C 3.37Å; I520-D523 PolarHBondContact O-N 3.21Å; I520-K524 VanDerWaalsContact O-CA 3.27Å; I520-K524 WeakPolarHBondContact O-CA 3.44Å; I520-K524 WeakPolarHBondContact O-CG 3.38Å; I520-K524 PolarHBondContact O-N 2.97Å; I520-K524 VanDerWaalsContact O-N 3.17Å; I520-L529 HydrophobicContact CD1-CB 4.28Å; I520-L529 HydrophobicContact CG1-CB 3.61Å; I520-L529 HydrophobicContact CG1-CD1 4.01Å; I520-L529 HydrophobicContact CG1-CG 4.43Å; I520-Y530 HydrophobicContact CD1-CD1 3.91Å; I520-Y530 HydrophobicContact CD1-CE1 3.98Å; I520-Y530 HydrophobicContact CD1-CG 4.39Å; I520-Y530 HydrophobicContact CG1-CE1 4.32Å; I520-Y530 HydrophobicContact CG2-CE1 3.74Å; I520-Y530 HydrophobicContact CG2-CE2 4.4Å; I520-Y530 WeakPolarHBondContact CG2-OH 3.09Å; I520-L533 HydrophobicContact CD1-CD2 4.04Å
521	E	93.2	Very high	94.2	Very high	128 Å²	128	55.6 Å²	55.6	60%	0.598	25%	0.254	S	S	*	.	H	α-helix	trans	-62.5	-33.9	176.3	-75.6	178.8	175.3	0	0	112.7	L517 A519 K524	L517-E521 WeakPolarHBondContact O-CG 3.43Å; L517-E521 PolarHBondContact O-N 3.48Å; A519-E521 VanDerWaalsContact C-N 3.3Å; A519-E521 PolarHBondContact O-N 3.5Å; E521-K524 WeakPolarHBondContact O-CE 2.98Å
522	R	92.9	Very high	94.2	Very high	106 Å²	106	53 Å²	53	40%	0.4	24%	0.243	S	C	.	.	H	α-helix	trans	-80.6	-37.2	176.6	-70.6	178.8	-78.1	165.6	-6.3	113.1	S491 E518 A519 I520	S491-R522 PolarHBondContact OG-NH1 3.18Å; S491-R522 VanDerWaalsContact OG-NH1 3.1Å; E518-R522 PolarHBondContact O-N 3.02Å; E518-R522 PolarHBondContact O-NE 3.44Å; A519-R522 PolarHBondContact O-N 3.03Å; A519-R522 VanDerWaalsContact O-N 3.17Å; I520-R522 PolarHBondContact O-N 2.81Å
523	D	93.3	Very high	94.1	Very high	23 Å²	23	53.4 Å²	53.4	12%	0.123	25%	0.245	C	C	.	.			trans	-132.1	73.5	-174.5	-171.4	4.1	0	0	0	110.9	N488 S492 A519 I520 E525 N526 L529	N488-D523 HydrophobicContact CB-CB 4.35Å; S492-D523 WeakPolarHBondContact CB-OD2 3.46Å; S492-D523 WeakPolarHBondContact OG-CB 3.26Å; S492-D523 PolarHBondContact OG-OD2 3.47Å; A519-D523 PolarHBondContact O-N 3.24Å; I520-D523 CarbonylContact O-C 3.37Å; I520-D523 PolarHBondContact O-N 3.21Å; D523-E525 PolarHBondContact O-N 2.67Å; D523-N526 HydrophobicContact CB-CB 4.34Å; D523-N526 PolarHBondContact O-N 3.39Å; D523-N526 WeakPolarHBondContact OD1-CB 3.46Å; D523-N526 WeakPolarHBondContact OD2-CB 3.33Å; D523-N526 PolarHBondContact OD2-ND2 3.3Å; D523-L529 HydrophobicContact CB-CD1 4.11Å
524	K	92.6	Very high	94	Very high	112 Å²	112	51 Å²	51	49%	0.487	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.8	-172.1	-64.6	177.8	-177.6	178.8	0	113.8	I520 E521 Y530	I520-K524 VanDerWaalsContact O-CA 3.27Å; I520-K524 WeakPolarHBondContact O-CA 3.44Å; I520-K524 WeakPolarHBondContact O-CG 3.38Å; I520-K524 PolarHBondContact O-N 2.97Å; I520-K524 VanDerWaalsContact O-N 3.17Å; E521-K524 WeakPolarHBondContact O-CE 2.98Å; K524-Y530 VanDerWaalsContact O-CE2 3.32Å; K524-Y530 WeakPolarHBondContact O-CE2 3.43Å; K524-Y530 PolarHBondContact O-OH 3.42Å
525	E	92.4	Very high	93.7	Very high	132 Å²	132	47.9 Å²	47.9	62%	0.617	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-9	-174	-63.9	-174.8	-172	0	0	112.9	D523 T527 L561	D523-E525 PolarHBondContact O-N 2.67Å; E525-T527 PolarHBondContact O-N 3.47Å; E525-L561 VanDerWaalsContact C-CD2 3.5Å; E525-L561 WeakPolarHBondContact O-CD2 3.13Å
526	N	92.5	Very high	93.4	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.102	22%	0.221	C	C	.	.			trans	-84	102.2	-175	-167.1	-28.4	0	0	0	112.5	N489 S492 D523 K528 L529 Y530	N489-N526 PolarHBondContact OD1-ND2 3.21Å; S492-N526 WeakPolarHBondContact CB-ND2 3.42Å; D523-N526 HydrophobicContact CB-CB 4.34Å; D523-N526 PolarHBondContact O-N 3.39Å; D523-N526 WeakPolarHBondContact OD1-CB 3.46Å; D523-N526 WeakPolarHBondContact OD2-CB 3.33Å; D523-N526 PolarHBondContact OD2-ND2 3.3Å; N526-K528 PolarHBondContact O-N 3.05Å; N526-K528 VanDerWaalsContact O-N 3.13Å; N526-K528 VanDerWaalsContact OD1-CB 3.31Å; N526-K528 WeakPolarHBondContact OD1-CB 3.32Å; N526-K528 PolarHBondContact OD1-N 2.85Å; N526-K528 VanDerWaalsContact OD1-N 3.1Å; N526-L529 HydrophobicContact CB-CD1 4.14Å; N526-L529 HydrophobicContact CB-CG 4.3Å; N526-L529 PolarHBondContact O-N 3.43Å; N526-L529 VanDerWaalsContact O-N 3.15Å; N526-Y530 WeakPolarHBondContact O-CD2 3.4Å
527	T	92.9	Very high	93	Very high	36 Å²	36	47.7 Å²	47.7	22%	0.221	22%	0.222	C	C	.	.	H	α-helix	trans	-56.8	-29.6	179.8	57.4	0	0	0	0	113.4	E525 L529 Y530 L531 L561 M565	E525-T527 PolarHBondContact O-N 3.47Å; T527-L529 VanDerWaalsContact C-N 3.26Å; T527-L529 PolarHBondContact O-N 3.2Å; T527-Y530 PolarHBondContact O-N 3.4Å; T527-L531 VanDerWaalsContact O-CG 3.31Å; T527-L531 WeakPolarHBondContact O-CG 3.33Å; T527-L531 PolarHBondContact O-N 3.5Å; T527-L561 HydrophobicContact CG2-CD2 3.85Å; T527-M565 HydrophobicContact CG2-CB 3.93Å; T527-M565 HydrophobicContact CG2-CG 3.69Å; T527-M565 HydrophobicContact CG2-SD 3.98Å
528	K	93.3	Very high	92.7	Very high	131 Å²	131	49 Å²	49	57%	0.57	22%	0.224	S	C	*	.	H	α-helix	trans	-63.9	-32.6	-178.6	-62.3	-179.8	178.3	173.8	0	111.8	N526 N532	N526-K528 PolarHBondContact O-N 3.05Å; N526-K528 VanDerWaalsContact O-N 3.13Å; N526-K528 VanDerWaalsContact OD1-CB 3.31Å; N526-K528 WeakPolarHBondContact OD1-CB 3.32Å; N526-K528 PolarHBondContact OD1-N 2.85Å; N526-K528 VanDerWaalsContact OD1-N 3.1Å; K528-N532 WeakPolarHBondContact O-CB 3.45Å; K528-N532 PolarHBondContact O-N 3.42Å; K528-N532 PolarHBondContact O-ND2 2.86Å
529	L	95.5	Very high	92.2	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-49	178.2	-65.6	174.7	0	0	0	111.3	V496 L516 A519 I520 D523 N526 T527 N532 L533	V496-L529 HydrophobicContact CG2-CD2 3.73Å; L516-L529 HydrophobicContact CD2-CD2 4.05Å; A519-L529 HydrophobicContact CB-CD1 4Å; A519-L529 HydrophobicContact CB-CD2 3.77Å; I520-L529 HydrophobicContact CD1-CB 4.28Å; I520-L529 HydrophobicContact CG1-CB 3.61Å; I520-L529 HydrophobicContact CG1-CD1 4.01Å; I520-L529 HydrophobicContact CG1-CG 4.43Å; D523-L529 HydrophobicContact CB-CD1 4.11Å; N526-L529 HydrophobicContact CB-CD1 4.14Å; N526-L529 HydrophobicContact CB-CG 4.3Å; N526-L529 PolarHBondContact O-N 3.43Å; N526-L529 VanDerWaalsContact O-N 3.15Å; T527-L529 VanDerWaalsContact C-N 3.26Å; T527-L529 PolarHBondContact O-N 3.2Å; L529-N532 PolarHBondContact O-N 2.85Å; L529-L533 PolarHBondContact O-N 3.36Å
530	Y	94.1	Very high	91.5	Very high	5 Å²	5	49.9 Å²	49.9	2%	0.02	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-41.7	177.4	-60	-85	0	0	0	112.1	I520 K524 N526 T527 N532 L533 L534 K555 A556 L561	I520-Y530 HydrophobicContact CD1-CD1 3.91Å; I520-Y530 HydrophobicContact CD1-CE1 3.98Å; I520-Y530 HydrophobicContact CD1-CG 4.39Å; I520-Y530 HydrophobicContact CG1-CE1 4.32Å; I520-Y530 HydrophobicContact CG2-CE1 3.74Å; I520-Y530 HydrophobicContact CG2-CE2 4.4Å; I520-Y530 WeakPolarHBondContact CG2-OH 3.09Å; K524-Y530 VanDerWaalsContact O-CE2 3.32Å; K524-Y530 WeakPolarHBondContact O-CE2 3.43Å; K524-Y530 PolarHBondContact O-OH 3.42Å; N526-Y530 WeakPolarHBondContact O-CD2 3.4Å; T527-Y530 PolarHBondContact O-N 3.4Å; Y530-N532 VanDerWaalsContact C-N 3.34Å; Y530-N532 PolarHBondContact O-N 3.36Å; Y530-L533 PolarHBondContact O-N 2.97Å; Y530-L534 VanDerWaalsContact O-CB 3.3Å; Y530-L534 WeakPolarHBondContact O-CB 3.35Å; Y530-L534 PolarHBondContact O-N 3.48Å; Y530-K555 HydrophobicContact CE1-CG 4.39Å; Y530-A556 HydrophobicContact CD1-CB 3.84Å; Y530-A556 HydrophobicContact CE1-CB 4.33Å; Y530-A556 HydrophobicContact CG-CB 4.17Å; Y530-L561 HydrophobicContact CD2-CD1 3.93Å; Y530-L561 HydrophobicContact CD2-CD2 4.01Å; Y530-L561 HydrophobicContact CD2-CG 4.27Å; Y530-L561 HydrophobicContact CE2-CD1 4.01Å; Y530-L561 HydrophobicContact CE2-CD2 3.67Å; Y530-L561 HydrophobicContact CE2-CG 3.88Å; Y530-L561 HydrophobicContact CG-CD1 4.41Å
531	L	92.7	Very high	90.9	Very high	59 Å²	59	53.5 Å²	53.5	31%	0.309	27%	0.265	S	S	.	.	H	α-helix	trans	-60.4	-43.3	176.5	-71.8	176.1	0	0	0	112.1	T527 E535 F569	T527-L531 VanDerWaalsContact O-CG 3.31Å; T527-L531 WeakPolarHBondContact O-CG 3.33Å; T527-L531 PolarHBondContact O-N 3.5Å; L531-E535 WeakPolarHBondContact O-CB 3.37Å; L531-E535 PolarHBondContact O-N 3.01Å; L531-F569 HydrophobicContact CD2-CE1 4.15Å; L531-F569 HydrophobicContact CD2-CZ 3.77Å; L531-F569 HydrophobicContact CG-CZ 3.95Å
532	N	93.9	Very high	90.4	Very high	19 Å²	19	49.8 Å²	49.8	10%	0.102	25%	0.249	C	C	.	.	H	α-helix	trans	-70.3	-35	178.5	-81.5	-95.5	0	0	0	112.2	V496 R500 L516 K528 L529 Y530 M536	V496-N532 HydrophobicContact CG1-CB 4.33Å; V496-N532 VanDerWaalsContact CG1-OD1 3.27Å; V496-N532 WeakPolarHBondContact CG1-OD1 3.5Å; V496-N532 HydrophobicContact CG2-CB 4.47Å; R500-N532 PolarHBondContact NE-OD1 2.78Å; R500-N532 PolarHBondContact NH2-OD1 3.41Å; L516-N532 HydrophobicContact CD1-CB 4.15Å; K528-N532 WeakPolarHBondContact O-CB 3.45Å; K528-N532 PolarHBondContact O-N 3.42Å; K528-N532 PolarHBondContact O-ND2 2.86Å; L529-N532 PolarHBondContact O-N 2.85Å; Y530-N532 VanDerWaalsContact C-N 3.34Å; Y530-N532 PolarHBondContact O-N 3.36Å; N532-M536 HydrophobicContact CB-CE 4.4Å; N532-M536 WeakPolarHBondContact O-CE 3.32Å; N532-M536 WeakPolarHBondContact O-CG 3.24Å; N532-M536 PolarHBondContact O-N 3.31Å; N532-M536 VanDerWaalsContact O-N 3.16Å
533	L	93.2	Very high	89.6	Confident	9 Å²	9	53.1 Å²	53.1	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-49.8	174.5	-178.7	57.3	0	0	0	110.5	R513 L516 L517 I520 L529 Y530 E535 M536 E537 C552	R513-L533 HydrophobicContact CG-CD1 4.09Å; L516-L533 HydrophobicContact CB-CD1 4.48Å; L516-L533 VanDerWaalsContact CD1-CA 3.46Å; L516-L533 HydrophobicContact CD1-CB 3.68Å; L516-L533 HydrophobicContact CD1-CD1 4.17Å; L517-L533 HydrophobicContact CD2-CD2 4.07Å; I520-L533 HydrophobicContact CD1-CD2 4.04Å; L529-L533 PolarHBondContact O-N 3.36Å; Y530-L533 PolarHBondContact O-N 2.97Å; L533-E535 PolarHBondContact O-N 3.15Å; L533-M536 WeakPolarHBondContact O-CB 3.36Å; L533-M536 PolarHBondContact O-N 2.83Å; L533-M536 VanDerWaalsContact O-N 3.11Å; L533-E537 PolarHBondContact O-N 3.32Å; L533-C552 HydrophobicContact CD2-CB 4.42Å
534	L	91.9	Very high	89	Confident	10 Å²	10	59.2 Å²	59.2	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-45.3	-179.9	-167	163	0	0	0	111.7	Y530 M536 E537 Y538 F553 F569	Y530-L534 VanDerWaalsContact O-CB 3.3Å; Y530-L534 WeakPolarHBondContact O-CB 3.35Å; Y530-L534 PolarHBondContact O-N 3.48Å; L534-M536 PolarHBondContact O-N 3.41Å; L534-E537 PolarHBondContact O-N 3.19Å; L534-Y538 HydrophobicContact CD2-CD1 4.18Å; L534-Y538 HydrophobicContact CD2-CD2 3.46Å; L534-Y538 VanDerWaalsContact CD2-CD2 3.46Å; L534-Y538 HydrophobicContact CD2-CE1 4.04Å; L534-Y538 HydrophobicContact CD2-CE2 3.29Å; L534-Y538 HydrophobicContact CD2-CG 3.91Å; L534-Y538 WeakPolarHBondContact O-CB 3.4Å; L534-Y538 PolarHBondContact O-N 2.91Å; L534-F553 HydrophobicContact CD1-CD1 3.89Å; L534-F553 HydrophobicContact CD1-CE1 3.37Å; L534-F553 HydrophobicContact CD1-CE2 4.21Å; L534-F553 HydrophobicContact CD1-CG 4.49Å; L534-F553 HydrophobicContact CD1-CZ 3.57Å; L534-F553 HydrophobicContact CD2-CZ 4.5Å; L534-F553 HydrophobicContact CG-CZ 4.33Å; L534-F569 HydrophobicContact CD1-CD1 4.33Å; L534-F569 HydrophobicContact CD1-CE1 4.17Å
535	E	90.1	Very high	88.5	Confident	63 Å²	63	55 Å²	55	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-57.9	-36.3	174.6	-174.4	-171.4	147.2	0	0	112.3	R500 L531 L533 S539	R500-E535 IonicContact CZ-OE1 2.61Å; R500-E535 IonicContact CZ-OE2 2.78Å; R500-E535 IonicContact NH1-OE1 3.5Å; R500-E535 PolarHBondContact NH1-OE1 3.19Å; R500-E535 IonicContact NH1-OE2 2.93Å; R500-E535 VanDerWaalsContact NH2-CD 3.33Å; R500-E535 IonicContact NH2-OE1 3.94Å; R500-E535 PolarHBondContact NH2-OE1 3.4Å; R500-E535 IonicContact NH2-OE2 3.96Å; R500-E535 PolarHBondContact NH2-OE2 3Å; L531-E535 WeakPolarHBondContact O-CB 3.37Å; L531-E535 PolarHBondContact O-N 3.01Å; L533-E535 PolarHBondContact O-N 3.15Å; E535-S539 PolarHBondContact O-N 2.77Å; E535-S539 VanDerWaalsContact O-N 3.15Å
536	M	89.8	Confident	88.3	Confident	9 Å²	9	49.7 Å²	49.7	4%	0.044	25%	0.252	C	S	.	.	H	α-helix	trans	-69.8	-42.2	176.9	-79.3	-172.2	-94.9	0	0	112.7	A499 F503 L509 L516 N532 L533 L534 S539	A499-M536 HydrophobicContact CB-CE 3.91Å; F503-M536 HydrophobicContact CB-SD 3.71Å; F503-M536 HydrophobicContact CD1-CB 4.37Å; F503-M536 HydrophobicContact CD1-CG 3.49Å; F503-M536 VanDerWaalsContact CD1-CG 3.49Å; F503-M536 HydrophobicContact CD1-SD 3.79Å; F503-M536 HydrophobicContact CE1-CB 4.3Å; F503-M536 HydrophobicContact CE1-CG 3.78Å; F503-M536 HydrophobicContact CG-CG 4.08Å; F503-M536 HydrophobicContact CG-SD 3.86Å; L509-M536 HydrophobicContact CD1-CB 4.43Å; L516-M536 HydrophobicContact CD1-CE 3.11Å; L516-M536 HydrophobicContact CG-CE 3.95Å; N532-M536 HydrophobicContact CB-CE 4.4Å; N532-M536 WeakPolarHBondContact O-CE 3.32Å; N532-M536 WeakPolarHBondContact O-CG 3.24Å; N532-M536 PolarHBondContact O-N 3.31Å; N532-M536 VanDerWaalsContact O-N 3.16Å; L533-M536 WeakPolarHBondContact O-CB 3.36Å; L533-M536 PolarHBondContact O-N 2.83Å; L533-M536 VanDerWaalsContact O-N 3.11Å; L534-M536 PolarHBondContact O-N 3.41Å; M536-S539 WeakPolarHBondContact O-CB 3.44Å; M536-S539 PolarHBondContact O-N 2.74Å
537	E	88.8	Confident	88.1	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.019	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-38.2	177.3	-58.9	-56.7	155.8	0	0	111.8	R513 L533 L534 S539 G540 N545 N548 I549	R513-E537 IonicContact CZ-OE1 3.23Å; R513-E537 VanDerWaalsContact CZ-OE1 3.23Å; R513-E537 IonicContact CZ-OE2 3.79Å; R513-E537 IonicContact NE-OE1 3.29Å; R513-E537 PolarHBondContact NE-OE1 3.24Å; R513-E537 IonicContact NE-OE2 3.89Å; R513-E537 VanDerWaalsContact NH2-CD 3.28Å; R513-E537 IonicContact NH2-OE1 2.92Å; R513-E537 PolarHBondContact NH2-OE1 2.64Å; R513-E537 IonicContact NH2-OE2 2.81Å; R513-E537 PolarHBondContact NH2-OE2 2.84Å; L533-E537 PolarHBondContact O-N 3.32Å; L534-E537 PolarHBondContact O-N 3.19Å; E537-S539 VanDerWaalsContact C-N 3.25Å; E537-S539 PolarHBondContact O-N 2.88Å; E537-G540 PolarHBondContact O-N 3.36Å; E537-N545 PolarHBondContact O-ND2 3.46Å; E537-N548 HydrophobicContact CG-CB 4.41Å; E537-I549 HydrophobicContact CB-CG1 3.68Å
538	Y	87.8	Confident	87.9	Confident	79 Å²	79	56.4 Å²	56.4	31%	0.31	28%	0.282	S	S	.	.	H	α-helix	trans	-64.4	-25.5	173.5	-85.4	1.7	0	0	0	114.4	L534 G540 L542 I549 F553 F576	L534-Y538 HydrophobicContact CD2-CD1 4.18Å; L534-Y538 HydrophobicContact CD2-CD2 3.46Å; L534-Y538 VanDerWaalsContact CD2-CD2 3.46Å; L534-Y538 HydrophobicContact CD2-CE1 4.04Å; L534-Y538 HydrophobicContact CD2-CE2 3.29Å; L534-Y538 HydrophobicContact CD2-CG 3.91Å; L534-Y538 WeakPolarHBondContact O-CB 3.4Å; L534-Y538 PolarHBondContact O-N 2.91Å; Y538-G540 PolarHBondContact O-N 3.16Å; Y538-L542 HydrophobicContact CD1-CD2 4.05Å; Y538-I549 HydrophobicContact CD1-CD1 3.6Å; Y538-I549 HydrophobicContact CD1-CG1 3.86Å; Y538-I549 HydrophobicContact CD1-CG2 4.19Å; Y538-I549 HydrophobicContact CE1-CB 4.43Å; Y538-I549 HydrophobicContact CE1-CD1 3.85Å; Y538-I549 HydrophobicContact CE1-CG1 4.06Å; Y538-I549 HydrophobicContact CE1-CG2 3.51Å; Y538-F553 WeakPolarHBondContact OH-CE2 3.29Å; Y538-F553 WeakPolarHBondContact OH-CZ 3.28Å; Y538-F576 HydrophobicContact CD1-CE2 4.41Å; Y538-F576 AromaticContact CE1-CD2 3.47Å; Y538-F576 HydrophobicContact CE1-CD2 3.47Å; Y538-F576 VanDerWaalsContact CE1-CD2 3.47Å; Y538-F576 AromaticContact CE1-CE2 3.6Å; Y538-F576 HydrophobicContact CE1-CE2 3.6Å; Y538-F576 HydrophobicContact CE1-CG 4.21Å; Y538-F576 HydrophobicContact CE1-CZ 4.42Å; Y538-F576 AromaticContact CZ-CD2 3.62Å; Y538-F576 VanDerWaalsContact OH-CB 3.32Å; Y538-F576 WeakPolarHBondContact OH-CB 3.25Å; Y538-F576 WeakPolarHBondContact OH-CD2 3.26Å; Y538-F576 WeakPolarHBondContact OH-CG 3.31Å
539	S	85.3	Confident	87.8	Confident	62 Å²	62	50.2 Å²	50.2	43%	0.434	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-9	179.4	-178	0	0	0	0	113	K504 E535 M536 E537	K504-S539 PolarHBondContact NZ-OG 2.73Å; E535-S539 PolarHBondContact O-N 2.77Å; E535-S539 VanDerWaalsContact O-N 3.15Å; M536-S539 WeakPolarHBondContact O-CB 3.44Å; M536-S539 PolarHBondContact O-N 2.74Å; E537-S539 VanDerWaalsContact C-N 3.25Å; E537-S539 PolarHBondContact O-N 2.88Å
540	G	79.9	Confident	87.6	Confident	38 Å²	38	51 Å²	51	39%	0.392	26%	0.26	S	S	.	.	S	Bend	trans	-96.1	-165.3	176	0	0	0	0	0	113.5	E537 Y538 L542	E537-G540 PolarHBondContact O-N 3.36Å; Y538-G540 PolarHBondContact O-N 3.16Å; G540-L542 PolarHBondContact O-N 3.4Å
541	D	83	Confident	87.5	Confident	80 Å²	80	54.8 Å²	54.8	43%	0.428	28%	0.28	S	S	.	.			trans	-70.2	116.3	171	-177.6	-32	0	0	0	109.3	K543 Q544 N545	D541-K543 PolarHBondContact O-N 3.32Å; D541-K543 WeakPolarHBondContact OD1-CB 3.48Å; D541-K543 PolarHBondContact OD1-N 3.4Å; D541-Q544 HydrophobicContact CB-CB 4.11Å; D541-Q544 HydrophobicContact CB-CG 4.07Å; D541-Q544 PolarHBondContact O-N 3.13Å; D541-Q544 PolarHBondContact OD1-N 3.04Å; D541-N545 WeakPolarHBondContact O-CB 3.41Å; D541-N545 PolarHBondContact O-N 2.95Å
542	L	82.9	Confident	87.4	Confident	50 Å²	50	52.3 Å²	52.3	26%	0.262	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.6	-176.4	-61.9	178.6	0	0	0	113.1	Y538 G540 E546 I549 F576 F580	Y538-L542 HydrophobicContact CD1-CD2 4.05Å; G540-L542 PolarHBondContact O-N 3.4Å; L542-E546 WeakPolarHBondContact O-CA 3.39Å; L542-E546 WeakPolarHBondContact O-CB 3.43Å; L542-E546 PolarHBondContact O-N 3.24Å; L542-I549 HydrophobicContact CD2-CD1 4.09Å; L542-F576 HydrophobicContact CD2-CE2 4.41Å; L542-F580 HydrophobicContact CD1-CD1 3.69Å; L542-F580 HydrophobicContact CD1-CD2 4.3Å; L542-F580 HydrophobicContact CD1-CE1 3.73Å; L542-F580 HydrophobicContact CD1-CE2 4.33Å; L542-F580 HydrophobicContact CD1-CG 3.98Å; L542-F580 HydrophobicContact CD1-CZ 4.05Å
543	K	75.4	Confident	87.4	Confident	175 Å²	175	51.4 Å²	51.4	76%	0.761	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-39.1	178.3	-67.6	-175.8	175.8	-178.5	0	111.8	D541	D541-K543 PolarHBondContact O-N 3.32Å; D541-K543 WeakPolarHBondContact OD1-CB 3.48Å; D541-K543 PolarHBondContact OD1-N 3.4Å
544	Q	80.3	Confident	87.4	Confident	152 Å²	152	53.1 Å²	53.1	71%	0.71	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-32.6	178	-62.8	-177.5	6.1	0	0	111.7	D541	D541-Q544 HydrophobicContact CB-CB 4.11Å; D541-Q544 HydrophobicContact CB-CG 4.07Å; D541-Q544 PolarHBondContact O-N 3.13Å; D541-Q544 PolarHBondContact OD1-N 3.04Å
545	N	83.6	Confident	87.4	Confident	23 Å²	23	56.5 Å²	56.5	12%	0.123	29%	0.286	C	S	.	.	S	Bend	trans	-95.4	2	179.9	-71.4	-18.2	0	0	0	113.7	E537 D541 E547 N548 I549	E537-N545 PolarHBondContact O-ND2 3.46Å; D541-N545 WeakPolarHBondContact O-CB 3.41Å; D541-N545 PolarHBondContact O-N 2.95Å; N545-E547 VanDerWaalsContact C-N 3.26Å; N545-E547 PolarHBondContact O-N 3.4Å; N545-N548 WeakPolarHBondContact O-CB 3.39Å; N545-N548 PolarHBondContact O-N 3.48Å; N545-I549 HydrophobicContact CB-CD1 4.09Å; N545-I549 HydrophobicContact CB-CG1 4.37Å; N545-I549 VanDerWaalsContact O-CG1 3.29Å; N545-I549 WeakPolarHBondContact O-CG1 3.33Å; N545-I549 PolarHBondContact O-N 3.49Å
546	E	87.2	Confident	87.5	Confident	20 Å²	20	53.5 Å²	53.5	9%	0.093	27%	0.272	C	S	.	.	H	α-helix	trans	-50.7	-47.8	-176.8	-170.8	-171.1	143.7	0	0	111.3	L542 N548 I549 L550 F576 S582 K586	L542-E546 WeakPolarHBondContact O-CA 3.39Å; L542-E546 WeakPolarHBondContact O-CB 3.43Å; L542-E546 PolarHBondContact O-N 3.24Å; E546-N548 PolarHBondContact O-N 3.48Å; E546-I549 PolarHBondContact O-N 3.09Å; E546-L550 HydrophobicContact CG-CD1 4.12Å; E546-L550 WeakPolarHBondContact O-CB 3.44Å; E546-L550 VanDerWaalsContact O-CG 3.25Å; E546-L550 WeakPolarHBondContact O-CG 3.46Å; E546-L550 PolarHBondContact O-N 3.06Å; E546-F576 HydrophobicContact CG-CE1 4.27Å; E546-F576 HydrophobicContact CG-CZ 4.47Å; E546-S582 PolarHBondContact OE2-OG 3.31Å; E546-K586 IonicContact OE1-NZ 2.76Å; E546-K586 PolarHBondContact OE1-NZ 3.47Å
547	E	88.6	Confident	87.7	Confident	141 Å²	141	53.1 Å²	53.1	66%	0.659	27%	0.27	S	S	*	.	H	α-helix	trans	-62.6	-42.1	178.7	-170.1	179.6	178.2	0	0	112.3	N545 L550 N551	N545-E547 VanDerWaalsContact C-N 3.26Å; N545-E547 PolarHBondContact O-N 3.4Å; E547-L550 PolarHBondContact O-N 3.13Å; E547-N551 WeakPolarHBondContact O-CB 3.37Å; E547-N551 PolarHBondContact O-N 2.83Å; E547-N551 PolarHBondContact O-ND2 2.92Å; E547-N551 VanDerWaalsContact O-ND2 3.13Å
548	N	88.5	Confident	87.9	Confident	56 Å²	56	58.4 Å²	58.4	30%	0.299	30%	0.295	S	S	.	.	H	α-helix	trans	-67.1	-38.2	178.2	-67	-38.3	0	0	0	112.2	E537 N545 E546 N551 C552	E537-N548 HydrophobicContact CG-CB 4.41Å; N545-N548 WeakPolarHBondContact O-CB 3.39Å; N545-N548 PolarHBondContact O-N 3.48Å; E546-N548 PolarHBondContact O-N 3.48Å; N548-N551 PolarHBondContact O-N 3.29Å; N548-C552 PolarHBondContact O-N 3.11Å
549	I	90.8	Very high	87.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-49.7	175.8	-70.2	163.1	0	0	0	109.8	E537 Y538 L542 N545 E546 N551 C552 F553 F576	E537-I549 HydrophobicContact CB-CG1 3.68Å; Y538-I549 HydrophobicContact CD1-CD1 3.6Å; Y538-I549 HydrophobicContact CD1-CG1 3.86Å; Y538-I549 HydrophobicContact CD1-CG2 4.19Å; Y538-I549 HydrophobicContact CE1-CB 4.43Å; Y538-I549 HydrophobicContact CE1-CD1 3.85Å; Y538-I549 HydrophobicContact CE1-CG1 4.06Å; Y538-I549 HydrophobicContact CE1-CG2 3.51Å; L542-I549 HydrophobicContact CD2-CD1 4.09Å; N545-I549 HydrophobicContact CB-CD1 4.09Å; N545-I549 HydrophobicContact CB-CG1 4.37Å; N545-I549 VanDerWaalsContact O-CG1 3.29Å; N545-I549 WeakPolarHBondContact O-CG1 3.33Å; N545-I549 PolarHBondContact O-N 3.49Å; E546-I549 PolarHBondContact O-N 3.09Å; I549-N551 VanDerWaalsContact C-N 3.34Å; I549-N551 PolarHBondContact O-N 3.35Å; I549-C552 WeakPolarHBondContact O-CB 3.28Å; I549-C552 PolarHBondContact O-N 2.92Å; I549-C552 VanDerWaalsContact O-N 3.11Å; I549-F553 HydrophobicContact CG2-CD2 3.77Å; I549-F553 HydrophobicContact CG2-CE2 3.59Å; I549-F553 WeakPolarHBondContact O-CD2 3.47Å; I549-F553 PolarHBondContact O-N 2.73Å; I549-F576 HydrophobicContact CB-CE1 4.35Å; I549-F576 HydrophobicContact CB-CZ 4.31Å; I549-F576 HydrophobicContact CD1-CE2 4.04Å; I549-F576 HydrophobicContact CD1-CZ 3.79Å; I549-F576 HydrophobicContact CG2-CD1 3.88Å; I549-F576 HydrophobicContact CG2-CD2 4.37Å; I549-F576 HydrophobicContact CG2-CE1 3.62Å; I549-F576 HydrophobicContact CG2-CE2 4.14Å; I549-F576 HydrophobicContact CG2-CG 4.26Å; I549-F576 HydrophobicContact CG2-CZ 3.77Å
550	L	92.1	Very high	88.2	Confident	18 Å²	18	56 Å²	56	9%	0.094	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-43.6	178.1	-67.1	175.8	0	0	0	111	E546 E547 C552 F553 D554 K573 F576 L577 K586	E546-L550 HydrophobicContact CG-CD1 4.12Å; E546-L550 WeakPolarHBondContact O-CB 3.44Å; E546-L550 VanDerWaalsContact O-CG 3.25Å; E546-L550 WeakPolarHBondContact O-CG 3.46Å; E546-L550 PolarHBondContact O-N 3.06Å; E547-L550 PolarHBondContact O-N 3.13Å; L550-C552 VanDerWaalsContact C-N 3.27Å; L550-C552 PolarHBondContact O-N 2.72Å; L550-F553 WeakPolarHBondContact O-CB 3.43Å; L550-F553 PolarHBondContact O-N 3.08Å; L550-F553 VanDerWaalsContact O-N 3.13Å; L550-D554 WeakPolarHBondContact O-CB 3.33Å; L550-D554 VanDerWaalsContact O-CG 3.23Å; L550-D554 PolarHBondContact O-N 3.21Å; L550-K573 HydrophobicContact CD2-CG 4.47Å; L550-F576 HydrophobicContact CD2-CD1 4.26Å; L550-F576 HydrophobicContact CD2-CE1 4.3Å; L550-L577 HydrophobicContact CD1-CD2 4.44Å; L550-L577 HydrophobicContact CD2-CD1 4.08Å; L550-L577 HydrophobicContact CD2-CD2 3.87Å; L550-L577 HydrophobicContact CD2-CG 4Å; L550-K586 HydrophobicContact CD1-CD 4.09Å
551	N	91.3	Very high	88.7	Confident	84 Å²	84	54.5 Å²	54.5	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-58.5	-37.9	173.7	-73	-27	0	0	0	112.5	E547 N548 I549 K555	E547-N551 WeakPolarHBondContact O-CB 3.37Å; E547-N551 PolarHBondContact O-N 2.83Å; E547-N551 PolarHBondContact O-ND2 2.92Å; E547-N551 VanDerWaalsContact O-ND2 3.13Å; N548-N551 PolarHBondContact O-N 3.29Å; I549-N551 VanDerWaalsContact C-N 3.34Å; I549-N551 PolarHBondContact O-N 3.35Å; N551-K555 VanDerWaalsContact O-CB 3.3Å; N551-K555 WeakPolarHBondContact O-CB 3.43Å; N551-K555 PolarHBondContact O-N 3.18Å
552	C	91.6	Very high	89.1	Confident	6 Å²	6	54 Å²	54	4%	0.041	28%	0.277	C	S	.	.	H	α-helix	trans	-66.6	-44.5	175.3	-175.6	0	0	0	0	111.7	L533 N548 I549 L550 K555 A556	L533-C552 HydrophobicContact CD2-CB 4.42Å; N548-C552 PolarHBondContact O-N 3.11Å; I549-C552 WeakPolarHBondContact O-CB 3.28Å; I549-C552 PolarHBondContact O-N 2.92Å; I549-C552 VanDerWaalsContact O-N 3.11Å; L550-C552 VanDerWaalsContact C-N 3.27Å; L550-C552 PolarHBondContact O-N 2.72Å; C552-K555 PolarHBondContact O-N 3.43Å; C552-A556 PolarHBondContact O-N 3.08Å; C552-A556 VanDerWaalsContact O-N 3.12Å
553	F	94.1	Very high	89.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-48.9	174.5	-81.1	-61.7	0	0	0	111.4	L534 Y538 I549 L550 K555 A556 V557 F569 R572 K573 F576	L534-F553 HydrophobicContact CD1-CD1 3.89Å; L534-F553 HydrophobicContact CD1-CE1 3.37Å; L534-F553 HydrophobicContact CD1-CE2 4.21Å; L534-F553 HydrophobicContact CD1-CG 4.49Å; L534-F553 HydrophobicContact CD1-CZ 3.57Å; L534-F553 HydrophobicContact CD2-CZ 4.5Å; L534-F553 HydrophobicContact CG-CZ 4.33Å; Y538-F553 WeakPolarHBondContact OH-CE2 3.29Å; Y538-F553 WeakPolarHBondContact OH-CZ 3.28Å; I549-F553 HydrophobicContact CG2-CD2 3.77Å; I549-F553 HydrophobicContact CG2-CE2 3.59Å; I549-F553 WeakPolarHBondContact O-CD2 3.47Å; I549-F553 PolarHBondContact O-N 2.73Å; L550-F553 WeakPolarHBondContact O-CB 3.43Å; L550-F553 PolarHBondContact O-N 3.08Å; L550-F553 VanDerWaalsContact O-N 3.13Å; F553-K555 VanDerWaalsContact C-N 3.28Å; F553-K555 PolarHBondContact O-N 2.94Å; F553-A556 PolarHBondContact O-N 3.03Å; F553-V557 WeakPolarHBondContact O-CB 3.46Å; F553-V557 VanDerWaalsContact O-CG2 3.26Å; F553-V557 WeakPolarHBondContact O-CG2 3.3Å; F553-V557 PolarHBondContact O-N 3.19Å; F553-F569 HydrophobicContact CD1-CD1 4.3Å; F553-F569 WeakPolarHBondContact CD1-O 3.27Å; F553-F569 WeakPolarHBondContact CE1-O 3.4Å; F553-R572 HydrophobicContact CE1-CB 3.61Å; F553-R572 HydrophobicContact CZ-CB 4.02Å; F553-R572 WeakPolarHBondContact CZ-O 3.3Å; F553-K573 HydrophobicContact CB-CB 3.98Å; F553-K573 HydrophobicContact CB-CD 3.98Å; F553-K573 HydrophobicContact CB-CG 3.9Å; F553-K573 HydrophobicContact CD1-CB 3.75Å; F553-K573 HydrophobicContact CD2-CB 4.08Å; F553-K573 HydrophobicContact CD2-CG 4.13Å; F553-K573 HydrophobicContact CE1-CB 4.17Å; F553-K573 HydrophobicContact CE2-CB 4.47Å; F553-K573 HydrophobicContact CG-CB 3.7Å; F553-K573 HydrophobicContact CG-CG 3.97Å; F553-K573 HydrophobicContact CZ-CB 4.5Å; F553-F576 HydrophobicContact CE2-CB 3.96Å; F553-F576 HydrophobicContact CE2-CD1 4.23Å; F553-F576 HydrophobicContact CE2-CG 4.12Å; F553-F576 HydrophobicContact CZ-CB 4.29Å
554	D	93.6	Very high	90.2	Very high	45 Å²	45	51.6 Å²	51.6	24%	0.241	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-39.9	-179.4	-69.2	-22.4	0	0	0	111.4	L550 A556 V557 H558 K573	L550-D554 WeakPolarHBondContact O-CB 3.33Å; L550-D554 VanDerWaalsContact O-CG 3.23Å; L550-D554 PolarHBondContact O-N 3.21Å; D554-A556 VanDerWaalsContact C-N 3.32Å; D554-A556 PolarHBondContact O-N 3.35Å; D554-V557 PolarHBondContact O-N 2.93Å; D554-H558 VanDerWaalsContact O-CB 3.24Å; D554-H558 WeakPolarHBondContact O-CB 3.36Å; D554-H558 PolarHBondContact O-N 2.92Å; D554-H558 PolarHBondContact O-ND1 2.99Å; D554-K573 WeakPolarHBondContact OD1-CE 3.47Å; D554-K573 IonicContact OD1-NZ 2.89Å; D554-K573 PolarHBondContact OD1-NZ 2.92Å
555	K	91.4	Very high	90.8	Very high	82 Å²	82	47.8 Å²	47.8	36%	0.357	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-34.8	176.4	-161.9	171.9	-173.6	175.4	0	112.5	L517 Y530 N551 C552 F553 G559	L517-K555 HydrophobicContact CD2-CD 4.43Å; Y530-K555 HydrophobicContact CE1-CG 4.39Å; N551-K555 VanDerWaalsContact O-CB 3.3Å; N551-K555 WeakPolarHBondContact O-CB 3.43Å; N551-K555 PolarHBondContact O-N 3.18Å; C552-K555 PolarHBondContact O-N 3.43Å; F553-K555 VanDerWaalsContact C-N 3.28Å; F553-K555 PolarHBondContact O-N 2.94Å; K555-G559 VanDerWaalsContact O-CA 3.29Å; K555-G559 WeakPolarHBondContact O-CA 3.43Å; K555-G559 PolarHBondContact O-N 3.08Å; K555-G559 VanDerWaalsContact O-N 3.15Å
556	A	92.8	Very high	91.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-75.1	-43.7	175.7	0	0	0	0	0	112	Y530 C552 F553 D554 G559 L561 F569	Y530-A556 HydrophobicContact CD1-CB 3.84Å; Y530-A556 HydrophobicContact CE1-CB 4.33Å; Y530-A556 HydrophobicContact CG-CB 4.17Å; C552-A556 PolarHBondContact O-N 3.08Å; C552-A556 VanDerWaalsContact O-N 3.12Å; F553-A556 PolarHBondContact O-N 3.03Å; D554-A556 VanDerWaalsContact C-N 3.32Å; D554-A556 PolarHBondContact O-N 3.35Å; A556-G559 PolarHBondContact O-N 3.37Å; A556-L561 HydrophobicContact CB-CD1 4Å; A556-F569 HydrophobicContact CB-CB 4.05Å; A556-F569 HydrophobicContact CB-CD1 3.6Å; A556-F569 HydrophobicContact CB-CD2 4.15Å; A556-F569 HydrophobicContact CB-CE1 4.03Å; A556-F569 HydrophobicContact CB-CG 3.67Å; A556-F569 HydrophobicContact CB-CZ 4.49Å
557	V	93.4	Very high	91.6	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-72.6	-36.1	-176.6	173.8	0	0	0	0	112.1	F553 D554 R566 F569 L597	F553-V557 WeakPolarHBondContact O-CB 3.46Å; F553-V557 VanDerWaalsContact O-CG2 3.26Å; F553-V557 WeakPolarHBondContact O-CG2 3.3Å; F553-V557 PolarHBondContact O-N 3.19Å; D554-V557 PolarHBondContact O-N 2.93Å; V557-R566 VanDerWaalsContact O-CZ 3.3Å; V557-R566 PolarHBondContact O-NE 2.78Å; V557-R566 PolarHBondContact O-NH2 3.45Å; V557-F569 HydrophobicContact CG2-CB 3.9Å; V557-L597 HydrophobicContact CG1-CD1 3.66Å
558	H	92.3	Very high	91.9	Very high	115 Å²	115	44.2 Å²	44.2	53%	0.532	23%	0.233	S	C	.	.	S	Bend	trans	-95.2	0.9	176.2	-56	120.3	0	0	0	113.1	D554	D554-H558 VanDerWaalsContact O-CB 3.24Å; D554-H558 WeakPolarHBondContact O-CB 3.36Å; D554-H558 PolarHBondContact O-N 2.92Å; D554-H558 PolarHBondContact O-ND1 2.99Å
559	G	89	Confident	92.2	Very high	23 Å²	23	41.9 Å²	41.9	24%	0.237	22%	0.221	C	C	.	.	S	Bend	trans	-81.6	-173.2	-177.7	0	0	0	0	0	114.3	K555 A556 L561	K555-G559 VanDerWaalsContact O-CA 3.29Å; K555-G559 WeakPolarHBondContact O-CA 3.43Å; K555-G559 PolarHBondContact O-N 3.08Å; K555-G559 VanDerWaalsContact O-N 3.15Å; A556-G559 PolarHBondContact O-N 3.37Å; G559-L561 PolarHBondContact O-N 3.24Å
560	S	89.8	Confident	92.4	Very high	68 Å²	68	42 Å²	42	48%	0.476	22%	0.221	S	C	.	.	S	Bend	trans	-81.8	7.2	179.9	-50.6	0	0	0	0	114.1
561	L	91.4	Very high	92.6	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	24%	0.237	C	C	.	.	S	Bend	trans	-59.3	150.6	178	-71.7	-178.6	0	0	0	111.2	E525 T527 Y530 A556 G559 M565 R566 F569	E525-L561 VanDerWaalsContact C-CD2 3.5Å; E525-L561 WeakPolarHBondContact O-CD2 3.13Å; T527-L561 HydrophobicContact CG2-CD2 3.85Å; Y530-L561 HydrophobicContact CD2-CD1 3.93Å; Y530-L561 HydrophobicContact CD2-CD2 4.01Å; Y530-L561 HydrophobicContact CD2-CG 4.27Å; Y530-L561 HydrophobicContact CE2-CD1 4.01Å; Y530-L561 HydrophobicContact CE2-CD2 3.67Å; Y530-L561 HydrophobicContact CE2-CG 3.88Å; Y530-L561 HydrophobicContact CG-CD1 4.41Å; A556-L561 HydrophobicContact CB-CD1 4Å; G559-L561 PolarHBondContact O-N 3.24Å; L561-M565 HydrophobicContact CB-CB 4.44Å; L561-R566 HydrophobicContact CB-CG 3.72Å; L561-R566 WeakPolarHBondContact O-CD 3.48Å; L561-R566 WeakPolarHBondContact O-CG 3.44Å; L561-F569 HydrophobicContact CD1-CD2 3.91Å; L561-F569 HydrophobicContact CD1-CE2 3.85Å
562	P	91.3	Very high	92.7	Very high	69 Å²	69	45.6 Å²	45.6	45%	0.448	23%	0.231	S	C	.	.			trans	-55	142.8	172.6	-25.5	34	0	0	0	111.7	K564 M565 R566	P562-K564 PolarHBondContact O-N 3.24Å; P562-K564 VanDerWaalsContact O-N 3.07Å; P562-M565 HydrophobicContact CB-CG 4.47Å; P562-M565 WeakPolarHBondContact O-CA 3.45Å; P562-M565 WeakPolarHBondContact O-CB 3.41Å; P562-M565 PolarHBondContact O-N 3.32Å; P562-R566 PolarHBondContact O-N 3.49Å
563	I	89.6	Confident	92.9	Very high	34 Å²	34	45.9 Å²	45.9	17%	0.174	23%	0.232	C	C	.	.	H	α-helix	trans	-52.3	-39	-174.5	-167.7	65.1	0	0	0	113	M565 R566 I567 L597 E600 Q601	I563-M565 VanDerWaalsContact C-N 3.32Å; I563-M565 PolarHBondContact O-N 2.97Å; I563-R566 PolarHBondContact O-N 2.9Å; I563-I567 HydrophobicContact CG1-CD1 4.14Å; I563-I567 VanDerWaalsContact O-CG1 3.28Å; I563-I567 WeakPolarHBondContact O-CG1 3.32Å; I563-I567 PolarHBondContact O-N 3.08Å; I563-L597 HydrophobicContact CD1-CD2 3.96Å; I563-E600 HydrophobicContact CD1-CG 4.42Å; I563-Q601 HydrophobicContact CG1-CB 4.21Å; I563-Q601 HydrophobicContact CG2-CG 4.49Å
564	K	91.5	Very high	93	Very high	141 Å²	141	46.9 Å²	46.9	61%	0.613	24%	0.238	S	C	*	.	H	α-helix	trans	-58.3	-44	175.8	-70.5	-174.6	178	-176.7	0	111.9	P562 I567 T568	P562-K564 PolarHBondContact O-N 3.24Å; P562-K564 VanDerWaalsContact O-N 3.07Å; K564-I567 PolarHBondContact O-N 3.5Å; K564-T568 PolarHBondContact O-N 3.02Å; K564-T568 VanDerWaalsContact O-N 3.14Å; K564-T568 PolarHBondContact O-OG1 3.49Å
565	M	92.7	Very high	93	Very high	71 Å²	71	48.9 Å²	48.9	35%	0.35	25%	0.246	S	C	.	.	H	α-helix	trans	-72.8	-40.4	179.1	-62.2	-64.5	95.6	0	0	111.3	T527 L561 P562 I563 I567 T568 F569	T527-M565 HydrophobicContact CG2-CB 3.93Å; T527-M565 HydrophobicContact CG2-CG 3.69Å; T527-M565 HydrophobicContact CG2-SD 3.98Å; L561-M565 HydrophobicContact CB-CB 4.44Å; P562-M565 HydrophobicContact CB-CG 4.47Å; P562-M565 WeakPolarHBondContact O-CA 3.45Å; P562-M565 WeakPolarHBondContact O-CB 3.41Å; P562-M565 PolarHBondContact O-N 3.32Å; I563-M565 VanDerWaalsContact C-N 3.32Å; I563-M565 PolarHBondContact O-N 2.97Å; M565-I567 VanDerWaalsContact C-N 3.26Å; M565-I567 PolarHBondContact O-N 2.63Å; M565-T568 WeakPolarHBondContact O-CB 3.38Å; M565-T568 PolarHBondContact O-N 2.61Å; M565-F569 WeakPolarHBondContact O-CD2 3.38Å; M565-F569 PolarHBondContact O-N 3.05Å
566	R	94.5	Very high	93.1	Very high	41 Å²	41	45.2 Å²	45.2	16%	0.155	23%	0.23	C	C	.	.	H	α-helix	trans	-55.9	-42.6	173	-66.7	172.6	59	-147.4	-3.2	111.3	V557 L561 P562 I563 F569 S570 L597 E600	V557-R566 VanDerWaalsContact O-CZ 3.3Å; V557-R566 PolarHBondContact O-NE 2.78Å; V557-R566 PolarHBondContact O-NH2 3.45Å; L561-R566 HydrophobicContact CB-CG 3.72Å; L561-R566 WeakPolarHBondContact O-CD 3.48Å; L561-R566 WeakPolarHBondContact O-CG 3.44Å; P562-R566 PolarHBondContact O-N 3.49Å; I563-R566 PolarHBondContact O-N 2.9Å; R566-F569 PolarHBondContact O-N 3.01Å; R566-S570 WeakPolarHBondContact O-CB 3.45Å; R566-S570 PolarHBondContact O-N 2.97Å; R566-L597 VanDerWaalsContact NH2-CD2 3.33Å; R566-E600 IonicContact NH1-OE1 3.79Å
567	I	93.6	Very high	93.1	Very high	17 Å²	17	45.5 Å²	45.5	9%	0.087	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-44.5	174.3	-69.7	165.1	0	0	0	110.9	I563 K564 M565 F569 S570 Q571 L597 L598 Q601	I563-I567 HydrophobicContact CG1-CD1 4.14Å; I563-I567 VanDerWaalsContact O-CG1 3.28Å; I563-I567 WeakPolarHBondContact O-CG1 3.32Å; I563-I567 PolarHBondContact O-N 3.08Å; K564-I567 PolarHBondContact O-N 3.5Å; M565-I567 VanDerWaalsContact C-N 3.26Å; M565-I567 PolarHBondContact O-N 2.63Å; I567-F569 VanDerWaalsContact C-N 3.35Å; I567-F569 PolarHBondContact O-N 3.16Å; I567-S570 WeakPolarHBondContact O-CB 3.35Å; I567-S570 PolarHBondContact O-N 3.44Å; I567-Q571 WeakPolarHBondContact O-CB 3.48Å; I567-Q571 PolarHBondContact O-N 3.42Å; I567-L597 HydrophobicContact CG1-CB 3.85Å; I567-L598 HydrophobicContact CD1-CD2 4.36Å; I567-L598 HydrophobicContact CG2-CD2 4.1Å; I567-Q601 HydrophobicContact CD1-CB 3.79Å; I567-Q601 HydrophobicContact CD1-CG 4.14Å
568	T	94.1	Very high	93.1	Very high	51 Å²	51	51.7 Å²	51.7	31%	0.313	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-41.6	176.4	-48.4	0	0	0	0	112.3	K564 M565 Q571 R572	K564-T568 PolarHBondContact O-N 3.02Å; K564-T568 VanDerWaalsContact O-N 3.14Å; K564-T568 PolarHBondContact O-OG1 3.49Å; M565-T568 WeakPolarHBondContact O-CB 3.38Å; M565-T568 PolarHBondContact O-N 2.61Å; T568-Q571 PolarHBondContact O-N 3.15Å; T568-R572 WeakPolarHBondContact O-CG 3.27Å; T568-R572 PolarHBondContact O-N 3.01Å; T568-R572 VanDerWaalsContact O-N 3.07Å
569	F	95.3	Very high	93	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.035	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-37.7	174.8	-84.7	-86.7	0	0	0	112.1	L531 L534 F553 A556 V557 L561 M565 R566 I567 R572 K573	L531-F569 HydrophobicContact CD2-CE1 4.15Å; L531-F569 HydrophobicContact CD2-CZ 3.77Å; L531-F569 HydrophobicContact CG-CZ 3.95Å; L534-F569 HydrophobicContact CD1-CD1 4.33Å; L534-F569 HydrophobicContact CD1-CE1 4.17Å; F553-F569 HydrophobicContact CD1-CD1 4.3Å; F553-F569 WeakPolarHBondContact CD1-O 3.27Å; F553-F569 WeakPolarHBondContact CE1-O 3.4Å; A556-F569 HydrophobicContact CB-CB 4.05Å; A556-F569 HydrophobicContact CB-CD1 3.6Å; A556-F569 HydrophobicContact CB-CD2 4.15Å; A556-F569 HydrophobicContact CB-CE1 4.03Å; A556-F569 HydrophobicContact CB-CG 3.67Å; A556-F569 HydrophobicContact CB-CZ 4.49Å; V557-F569 HydrophobicContact CG2-CB 3.9Å; L561-F569 HydrophobicContact CD1-CD2 3.91Å; L561-F569 HydrophobicContact CD1-CE2 3.85Å; M565-F569 WeakPolarHBondContact O-CD2 3.38Å; M565-F569 PolarHBondContact O-N 3.05Å; R566-F569 PolarHBondContact O-N 3.01Å; I567-F569 VanDerWaalsContact C-N 3.35Å; I567-F569 PolarHBondContact O-N 3.16Å; F569-R572 PolarHBondContact O-N 3.12Å; F569-K573 PolarHBondContact O-N 3.11Å
570	S	96.1	Very high	93	Very high	1 Å²	1	56 Å²	56	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-41.8	175	167.8	0	0	0	0	111.7	R566 I567 R572 K573 V574 H594	R566-S570 WeakPolarHBondContact O-CB 3.45Å; R566-S570 PolarHBondContact O-N 2.97Å; I567-S570 WeakPolarHBondContact O-CB 3.35Å; I567-S570 PolarHBondContact O-N 3.44Å; S570-R572 PolarHBondContact O-N 3.2Å; S570-K573 WeakPolarHBondContact O-CB 3.24Å; S570-K573 PolarHBondContact O-N 3.11Å; S570-V574 WeakPolarHBondContact O-CG2 3.27Å; S570-V574 PolarHBondContact O-N 3.21Å; S570-H594 VanDerWaalsContact OG-CA 3.29Å; S570-H594 WeakPolarHBondContact OG-CA 3.27Å; S570-H594 VanDerWaalsContact OG-CB 3.24Å; S570-H594 WeakPolarHBondContact OG-CB 3.48Å; S570-H594 PolarHBondContact OG-ND1 3.02Å
571	Q	94.8	Very high	92.7	Very high	91 Å²	91	54.1 Å²	54.1	43%	0.425	27%	0.269	S	S	.	.	H	α-helix	trans	-59.3	-48.4	173.5	-176.2	-173.7	-17.9	0	0	111	I567 T568 K573 V574 E575	I567-Q571 WeakPolarHBondContact O-CB 3.48Å; I567-Q571 PolarHBondContact O-N 3.42Å; T568-Q571 PolarHBondContact O-N 3.15Å; Q571-K573 VanDerWaalsContact C-N 3.28Å; Q571-K573 PolarHBondContact O-N 3.41Å; Q571-V574 WeakPolarHBondContact O-CB 3.49Å; Q571-V574 PolarHBondContact O-N 3.37Å; Q571-V574 VanDerWaalsContact O-N 3.12Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.46Å; Q571-E575 PolarHBondContact NE2-OE1 3Å; Q571-E575 WeakPolarHBondContact O-CG 3.37Å; Q571-E575 PolarHBondContact O-N 3.46Å
572	R	94.4	Very high	92.2	Very high	87 Å²	87	58.2 Å²	58.2	33%	0.328	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-31	177.1	-73	179.6	-179.3	-169.4	0.4	113.5	F553 T568 F569 S570 F576	F553-R572 HydrophobicContact CE1-CB 3.61Å; F553-R572 HydrophobicContact CZ-CB 4.02Å; F553-R572 WeakPolarHBondContact CZ-O 3.3Å; T568-R572 WeakPolarHBondContact O-CG 3.27Å; T568-R572 PolarHBondContact O-N 3.01Å; T568-R572 VanDerWaalsContact O-N 3.07Å; F569-R572 PolarHBondContact O-N 3.12Å; S570-R572 PolarHBondContact O-N 3.2Å; R572-F576 WeakPolarHBondContact O-CB 3.35Å; R572-F576 PolarHBondContact O-N 3.47Å
573	K	95.1	Very high	92	Very high	12 Å²	12	57.9 Å²	57.9	5%	0.052	29%	0.292	C	S	.	.	H	α-helix	trans	-64.4	-43.6	172.8	-177.3	-173.2	172.2	-177.2	0	110.6	L550 F553 D554 F569 S570 Q571 F576 L577 A590 E593	L550-K573 HydrophobicContact CD2-CG 4.47Å; F553-K573 HydrophobicContact CB-CB 3.98Å; F553-K573 HydrophobicContact CB-CD 3.98Å; F553-K573 HydrophobicContact CB-CG 3.9Å; F553-K573 HydrophobicContact CD1-CB 3.75Å; F553-K573 HydrophobicContact CD2-CB 4.08Å; F553-K573 HydrophobicContact CD2-CG 4.13Å; F553-K573 HydrophobicContact CE1-CB 4.17Å; F553-K573 HydrophobicContact CE2-CB 4.47Å; F553-K573 HydrophobicContact CG-CB 3.7Å; F553-K573 HydrophobicContact CG-CG 3.97Å; F553-K573 HydrophobicContact CZ-CB 4.5Å; D554-K573 WeakPolarHBondContact OD1-CE 3.47Å; D554-K573 IonicContact OD1-NZ 2.89Å; D554-K573 PolarHBondContact OD1-NZ 2.92Å; F569-K573 PolarHBondContact O-N 3.11Å; S570-K573 WeakPolarHBondContact O-CB 3.24Å; S570-K573 PolarHBondContact O-N 3.11Å; Q571-K573 VanDerWaalsContact C-N 3.28Å; Q571-K573 PolarHBondContact O-N 3.41Å; K573-F576 PolarHBondContact O-N 3.29Å; K573-L577 HydrophobicContact CG-CD1 4.18Å; K573-L577 WeakPolarHBondContact O-CB 3.43Å; K573-L577 WeakPolarHBondContact O-CG 3.48Å; K573-L577 PolarHBondContact O-N 3.43Å; K573-A590 HydrophobicContact CD-CB 4.19Å; K573-A590 HydrophobicContact CG-CB 4.36Å; K573-E593 IonicContact NZ-OE1 3.96Å; K573-E593 IonicContact NZ-OE2 2.79Å; K573-E593 PolarHBondContact NZ-OE2 2.88Å
574	V	95.6	Very high	92.1	Very high	21 Å²	21	61 Å²	61	13%	0.127	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-49.5	175.4	173.7	0	0	0	0	110.4	S570 Q571 F576 L577 E578 L587 A590 Y591 H594	S570-V574 WeakPolarHBondContact O-CG2 3.27Å; S570-V574 PolarHBondContact O-N 3.21Å; Q571-V574 WeakPolarHBondContact O-CB 3.49Å; Q571-V574 PolarHBondContact O-N 3.37Å; Q571-V574 VanDerWaalsContact O-N 3.12Å; V574-F576 VanDerWaalsContact C-N 3.31Å; V574-F576 PolarHBondContact O-N 2.92Å; V574-L577 PolarHBondContact O-N 2.94Å; V574-E578 WeakPolarHBondContact O-CB 3.28Å; V574-E578 PolarHBondContact O-N 2.89Å; V574-L587 HydrophobicContact CG1-CD1 4.06Å; V574-A590 HydrophobicContact CG2-CB 4.1Å; V574-Y591 HydrophobicContact CG1-CD2 4.33Å; V574-H594 HydrophobicContact CG2-CB 4.35Å
575	E	93.9	Very high	92.2	Very high	88 Å²	88	59.1 Å²	59.1	41%	0.411	31%	0.309	S	S	.	.	H	α-helix	trans	-54.6	-46.1	176.5	-69.8	166	-176.7	0	0	111.5	Q571 E578 D579	Q571-E575 WeakPolarHBondContact CG-OE1 3.46Å; Q571-E575 PolarHBondContact NE2-OE1 3Å; Q571-E575 WeakPolarHBondContact O-CG 3.37Å; Q571-E575 PolarHBondContact O-N 3.46Å; E575-E578 PolarHBondContact O-N 3.36Å; E575-D579 WeakPolarHBondContact O-CB 3.34Å; E575-D579 PolarHBondContact O-N 3.14Å
576	F	93.5	Very high	92.1	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-45.7	177	174.9	-105	0	0	0	113.5	Y538 L542 E546 I549 L550 F553 R572 K573 V574 E578 D579 F580	Y538-F576 HydrophobicContact CD1-CE2 4.41Å; Y538-F576 AromaticContact CE1-CD2 3.47Å; Y538-F576 HydrophobicContact CE1-CD2 3.47Å; Y538-F576 VanDerWaalsContact CE1-CD2 3.47Å; Y538-F576 AromaticContact CE1-CE2 3.6Å; Y538-F576 HydrophobicContact CE1-CE2 3.6Å; Y538-F576 HydrophobicContact CE1-CG 4.21Å; Y538-F576 HydrophobicContact CE1-CZ 4.42Å; Y538-F576 AromaticContact CZ-CD2 3.62Å; Y538-F576 VanDerWaalsContact OH-CB 3.32Å; Y538-F576 WeakPolarHBondContact OH-CB 3.25Å; Y538-F576 WeakPolarHBondContact OH-CD2 3.26Å; Y538-F576 WeakPolarHBondContact OH-CG 3.31Å; L542-F576 HydrophobicContact CD2-CE2 4.41Å; E546-F576 HydrophobicContact CG-CE1 4.27Å; E546-F576 HydrophobicContact CG-CZ 4.47Å; I549-F576 HydrophobicContact CB-CE1 4.35Å; I549-F576 HydrophobicContact CB-CZ 4.31Å; I549-F576 HydrophobicContact CD1-CE2 4.04Å; I549-F576 HydrophobicContact CD1-CZ 3.79Å; I549-F576 HydrophobicContact CG2-CD1 3.88Å; I549-F576 HydrophobicContact CG2-CD2 4.37Å; I549-F576 HydrophobicContact CG2-CE1 3.62Å; I549-F576 HydrophobicContact CG2-CE2 4.14Å; I549-F576 HydrophobicContact CG2-CG 4.26Å; I549-F576 HydrophobicContact CG2-CZ 3.77Å; L550-F576 HydrophobicContact CD2-CD1 4.26Å; L550-F576 HydrophobicContact CD2-CE1 4.3Å; F553-F576 HydrophobicContact CE2-CB 3.96Å; F553-F576 HydrophobicContact CE2-CD1 4.23Å; F553-F576 HydrophobicContact CE2-CG 4.12Å; F553-F576 HydrophobicContact CZ-CB 4.29Å; R572-F576 WeakPolarHBondContact O-CB 3.35Å; R572-F576 PolarHBondContact O-N 3.47Å; K573-F576 PolarHBondContact O-N 3.29Å; V574-F576 VanDerWaalsContact C-N 3.31Å; V574-F576 PolarHBondContact O-N 2.92Å; F576-E578 VanDerWaalsContact C-N 3.31Å; F576-D579 PolarHBondContact O-N 3.42Å; F576-F580 HydrophobicContact CD2-CB 4.36Å; F576-F580 AromaticContact CD2-CD2 3.55Å; F576-F580 HydrophobicContact CD2-CD2 3.55Å; F576-F580 HydrophobicContact CD2-CE2 4.32Å; F576-F580 HydrophobicContact CD2-CG 4.37Å; F576-F580 HydrophobicContact CE2-CB 3.97Å; F576-F580 AromaticContact CE2-CD2 3.74Å; F576-F580 HydrophobicContact CE2-CD2 3.74Å; F576-F580 HydrophobicContact CE2-CG 4.17Å; F576-F580 HydrophobicContact CG-CD2 4.49Å; F576-F580 HydrophobicContact CZ-CB 4.33Å; F576-F580 PolarHBondContact O-N 3.08Å
577	L	93.1	Very high	92	Very high	7 Å²	7	58.6 Å²	58.6	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-70	-29.5	-179.8	-77.9	167.6	0	0	0	112.3	L550 K573 V574 G581 K586 L587 A590	L550-L577 HydrophobicContact CD1-CD2 4.44Å; L550-L577 HydrophobicContact CD2-CD1 4.08Å; L550-L577 HydrophobicContact CD2-CD2 3.87Å; L550-L577 HydrophobicContact CD2-CG 4Å; K573-L577 HydrophobicContact CG-CD1 4.18Å; K573-L577 WeakPolarHBondContact O-CB 3.43Å; K573-L577 WeakPolarHBondContact O-CG 3.48Å; K573-L577 PolarHBondContact O-N 3.43Å; V574-L577 PolarHBondContact O-N 2.94Å; L577-G581 WeakPolarHBondContact O-CA 3.43Å; L577-G581 PolarHBondContact O-N 3.15Å; L577-K586 HydrophobicContact CD1-CB 4.38Å; L577-K586 HydrophobicContact CD2-CB 4.02Å; L577-K586 HydrophobicContact CD2-CD 4.5Å; L577-L587 HydrophobicContact CB-CB 4.18Å; L577-L587 HydrophobicContact CB-CD1 3.94Å; L577-A590 HydrophobicContact CD1-CB 3.61Å
578	E	93.3	Very high	92	Very high	131 Å²	131	62.3 Å²	62.3	61%	0.612	33%	0.327	S	S	*	.	H	α-helix	trans	-69.1	-46.2	173.3	-165.6	75.3	-135.1	0	0	111	V574 E575 F576 L587	V574-E578 WeakPolarHBondContact O-CB 3.28Å; V574-E578 PolarHBondContact O-N 2.89Å; E575-E578 PolarHBondContact O-N 3.36Å; F576-E578 VanDerWaalsContact C-N 3.31Å; E578-L587 HydrophobicContact CB-CD1 4.32Å; E578-L587 VanDerWaalsContact OE2-CD2 3.29Å; E578-L587 WeakPolarHBondContact OE2-CD2 3.48Å
579	D	90.4	Very high	92	Very high	117 Å²	117	64.5 Å²	64.5	63%	0.626	34%	0.336	S	S	*	.	H	α-helix	trans	-75.5	-38.2	-176.5	-74.4	-23.4	0	0	0	113.1	E575 F576	E575-D579 WeakPolarHBondContact O-CB 3.34Å; E575-D579 PolarHBondContact O-N 3.14Å; F576-D579 PolarHBondContact O-N 3.42Å
580	F	88.4	Confident	92	Very high	110 Å²	110	64.1 Å²	64.1	48%	0.482	34%	0.335	S	S	.	.	H	α-helix	trans	-130.2	-4.8	-166.9	-52.7	-71	0	0	0	114.8	L542 F576	L542-F580 HydrophobicContact CD1-CD1 3.69Å; L542-F580 HydrophobicContact CD1-CD2 4.3Å; L542-F580 HydrophobicContact CD1-CE1 3.73Å; L542-F580 HydrophobicContact CD1-CE2 4.33Å; L542-F580 HydrophobicContact CD1-CG 3.98Å; L542-F580 HydrophobicContact CD1-CZ 4.05Å; F576-F580 HydrophobicContact CD2-CB 4.36Å; F576-F580 AromaticContact CD2-CD2 3.55Å; F576-F580 HydrophobicContact CD2-CD2 3.55Å; F576-F580 HydrophobicContact CD2-CE2 4.32Å; F576-F580 HydrophobicContact CD2-CG 4.37Å; F576-F580 HydrophobicContact CE2-CB 3.97Å; F576-F580 AromaticContact CE2-CD2 3.74Å; F576-F580 HydrophobicContact CE2-CD2 3.74Å; F576-F580 HydrophobicContact CE2-CG 4.17Å; F576-F580 HydrophobicContact CG-CD2 4.49Å; F576-F580 HydrophobicContact CZ-CB 4.33Å; F576-F580 PolarHBondContact O-N 3.08Å
581	G	83.3	Confident	91.9	Very high	30 Å²	30	70 Å²	70	31%	0.309	36%	0.358	S	S	.	.			trans	-62.4	137.1	-172.5	0	0	0	0	0	113.2	L577	L577-G581 WeakPolarHBondContact O-CA 3.43Å; L577-G581 PolarHBondContact O-N 3.15Å
582	S	82.6	Confident	91.9	Very high	91 Å²	91	70.5 Å²	70.5	64%	0.636	36%	0.363	S	S	*	.	S	Bend	trans	-82.8	-18.7	175.9	74.5	0	0	0	0	113.5	E546	E546-S582 PolarHBondContact OE2-OG 3.31Å
583	D	86.4	Confident	91.9	Very high	62 Å²	62	69.3 Å²	69.3	33%	0.332	36%	0.361	S	S	.	.			trans	-140.8	115.1	-171.9	-178.4	2.7	0	0	0	111.2	N585 K586	D583-N585 PolarHBondContact O-N 3.5Å; D583-N585 WeakPolarHBondContact OD1-CB 3.47Å; D583-N585 PolarHBondContact OD1-N 3.01Å; D583-N585 PolarHBondContact OD1-ND2 3.2Å; D583-K586 HydrophobicContact CB-CD 4.31Å; D583-K586 HydrophobicContact CB-CG 4.15Å; D583-K586 WeakPolarHBondContact O-CB 3.34Å; D583-K586 PolarHBondContact O-N 2.71Å
584	V	91.4	Very high	92	Very high	100 Å²	100	69.9 Å²	69.9	61%	0.606	36%	0.364	S	S	*	.	H	α-helix	trans	-60.6	-26.4	179.5	179.4	0	0	0	0	111.9	K586 L587 L588	V584-K586 VanDerWaalsContact C-N 3.28Å; V584-K586 PolarHBondContact O-N 2.95Å; V584-L587 WeakPolarHBondContact O-CB 3.27Å; V584-L587 PolarHBondContact O-N 2.94Å; V584-L588 HydrophobicContact CG1-CD1 4.36Å; V584-L588 HydrophobicContact CG1-CG 4.32Å; V584-L588 WeakPolarHBondContact O-CG 3.42Å; V584-L588 PolarHBondContact O-N 2.77Å
585	N	93.3	Very high	91.9	Very high	102 Å²	102	71.8 Å²	71.8	55%	0.545	37%	0.372	S	S	.	.	H	α-helix	trans	-64.5	-35.1	176.6	-59.9	-59.6	0	0	0	111.9	D583 L587 L588 N589	D583-N585 PolarHBondContact O-N 3.5Å; D583-N585 WeakPolarHBondContact OD1-CB 3.47Å; D583-N585 PolarHBondContact OD1-N 3.01Å; D583-N585 PolarHBondContact OD1-ND2 3.2Å; N585-L587 VanDerWaalsContact C-N 3.34Å; N585-L588 PolarHBondContact O-N 3.49Å; N585-N589 VanDerWaalsContact O-CG 3.25Å; N585-N589 PolarHBondContact O-N 3.33Å; N585-N589 PolarHBondContact O-ND2 3.05Å
586	K	92	Very high	92	Very high	77 Å²	77	71.6 Å²	71.6	34%	0.335	38%	0.377	S	S	.	.	H	α-helix	trans	-66.1	-39.6	175.2	-62.6	-178.1	-171.2	175.4	0	111.3	E546 L550 L577 D583 V584 N589 A590	E546-K586 IonicContact OE1-NZ 2.76Å; E546-K586 PolarHBondContact OE1-NZ 3.47Å; L550-K586 HydrophobicContact CD1-CD 4.09Å; L577-K586 HydrophobicContact CD1-CB 4.38Å; L577-K586 HydrophobicContact CD2-CB 4.02Å; L577-K586 HydrophobicContact CD2-CD 4.5Å; D583-K586 HydrophobicContact CB-CD 4.31Å; D583-K586 HydrophobicContact CB-CG 4.15Å; D583-K586 WeakPolarHBondContact O-CB 3.34Å; D583-K586 PolarHBondContact O-N 2.71Å; V584-K586 VanDerWaalsContact C-N 3.28Å; V584-K586 PolarHBondContact O-N 2.95Å; K586-N589 PolarHBondContact O-N 3.34Å; K586-A590 WeakPolarHBondContact O-CB 3.44Å; K586-A590 PolarHBondContact O-N 3.3Å
587	L	92.2	Very high	91.9	Very high	23 Å²	23	71.9 Å²	71.9	12%	0.12	38%	0.379	C	S	.	.	H	α-helix	trans	-62.3	-48.3	176.1	172.3	63.3	0	0	0	111.3	V574 L577 E578 V584 N585 N589 A590 Y591	V574-L587 HydrophobicContact CG1-CD1 4.06Å; L577-L587 HydrophobicContact CB-CB 4.18Å; L577-L587 HydrophobicContact CB-CD1 3.94Å; E578-L587 HydrophobicContact CB-CD1 4.32Å; E578-L587 VanDerWaalsContact OE2-CD2 3.29Å; E578-L587 WeakPolarHBondContact OE2-CD2 3.48Å; V584-L587 WeakPolarHBondContact O-CB 3.27Å; V584-L587 PolarHBondContact O-N 2.94Å; N585-L587 VanDerWaalsContact C-N 3.34Å; L587-N589 PolarHBondContact O-N 2.91Å; L587-A590 PolarHBondContact O-N 3.04Å; L587-Y591 PolarHBondContact O-N 3.39Å
588	L	93.6	Very high	91.9	Very high	96 Å²	96	73.9 Å²	73.9	50%	0.503	39%	0.389	S	S	.	.	H	α-helix	trans	-59.7	-45.7	177.7	-68.4	174.8	0	0	0	111.6	V584 N585 A590 Y591 D592	V584-L588 HydrophobicContact CG1-CD1 4.36Å; V584-L588 HydrophobicContact CG1-CG 4.32Å; V584-L588 WeakPolarHBondContact O-CG 3.42Å; V584-L588 PolarHBondContact O-N 2.77Å; N585-L588 PolarHBondContact O-N 3.49Å; L588-A590 VanDerWaalsContact C-N 3.35Å; L588-A590 PolarHBondContact O-N 3.35Å; L588-Y591 WeakPolarHBondContact O-CB 3.33Å; L588-Y591 PolarHBondContact O-N 3.38Å; L588-D592 PolarHBondContact O-N 2.86Å
589	N	94.3	Very high	91.9	Very high	96 Å²	96	74.4 Å²	74.4	51%	0.513	39%	0.389	S	S	.	.	H	α-helix	trans	-61	-42	176	-70.1	-19.1	0	0	0	112.2	N585 K586 L587 Y591 D592 E593	N585-N589 VanDerWaalsContact O-CG 3.25Å; N585-N589 PolarHBondContact O-N 3.33Å; N585-N589 PolarHBondContact O-ND2 3.05Å; K586-N589 PolarHBondContact O-N 3.34Å; L587-N589 PolarHBondContact O-N 2.91Å; N589-Y591 VanDerWaalsContact C-N 3.31Å; N589-Y591 PolarHBondContact O-N 3.5Å; N589-D592 PolarHBondContact O-N 3.18Å; N589-E593 WeakPolarHBondContact O-CG 3.43Å; N589-E593 PolarHBondContact O-N 3.45Å
590	A	94.1	Very high	91.9	Very high	1 Å²	1	72.3 Å²	72.3	1%	0.008	38%	0.376	C	S	.	.	H	α-helix	trans	-65.1	-35.1	177	0	0	0	0	0	112.3	K573 V574 L577 K586 L587 L588 H594	K573-A590 HydrophobicContact CD-CB 4.19Å; K573-A590 HydrophobicContact CG-CB 4.36Å; V574-A590 HydrophobicContact CG2-CB 4.1Å; L577-A590 HydrophobicContact CD1-CB 3.61Å; K586-A590 WeakPolarHBondContact O-CB 3.44Å; K586-A590 PolarHBondContact O-N 3.3Å; L587-A590 PolarHBondContact O-N 3.04Å; L588-A590 VanDerWaalsContact C-N 3.35Å; L588-A590 PolarHBondContact O-N 3.35Å; A590-H594 WeakPolarHBondContact O-CB 3.33Å; A590-H594 PolarHBondContact O-N 3.13Å
591	Y	94.8	Very high	92.1	Very high	124 Å²	124	68.5 Å²	68.5	49%	0.486	36%	0.359	S	S	.	.	H	α-helix	trans	-66.9	-41.6	174.1	-164.9	-95.8	0	0	0	111.6	V574 L587 L588 N589 H594 Q595	V574-Y591 HydrophobicContact CG1-CD2 4.33Å; L587-Y591 PolarHBondContact O-N 3.39Å; L588-Y591 WeakPolarHBondContact O-CB 3.33Å; L588-Y591 PolarHBondContact O-N 3.38Å; N589-Y591 VanDerWaalsContact C-N 3.31Å; N589-Y591 PolarHBondContact O-N 3.5Å; Y591-H594 WeakPolarHBondContact O-CB 3.33Å; Y591-H594 PolarHBondContact O-N 3.28Å; Y591-Q595 HydrophobicContact CD1-CG 4.03Å; Y591-Q595 HydrophobicContact CE1-CG 3.84Å; Y591-Q595 WeakPolarHBondContact O-CG 3.37Å; Y591-Q595 PolarHBondContact O-N 3.42Å; Y591-Q595 PolarHBondContact OH-NE2 3.22Å
592	D	94.8	Very high	92.4	Very high	101 Å²	101	70.3 Å²	70.3	54%	0.54	36%	0.362	S	S	.	.	H	α-helix	trans	-64.2	-42.3	175.9	-75.7	-18.3	0	0	0	112.3	L588 N589 H594 Q595 T596	L588-D592 PolarHBondContact O-N 2.86Å; N589-D592 PolarHBondContact O-N 3.18Å; D592-H594 VanDerWaalsContact C-N 3.33Å; D592-H594 PolarHBondContact O-N 2.83Å; D592-Q595 PolarHBondContact O-N 3.06Å; D592-T596 PolarHBondContact O-N 2.95Å; D592-T596 PolarHBondContact O-OG1 2.55Å
593	E	94.7	Very high	92.6	Very high	62 Å²	62	68.2 Å²	68.2	29%	0.29	35%	0.347	S	S	.	.	H	α-helix	trans	-58.1	-45.6	171	-74.8	172.3	-173.4	0	0	111	K573 N589 Q595 T596 L597	K573-E593 IonicContact NZ-OE1 3.96Å; K573-E593 IonicContact NZ-OE2 2.79Å; K573-E593 PolarHBondContact NZ-OE2 2.88Å; N589-E593 WeakPolarHBondContact O-CG 3.43Å; N589-E593 PolarHBondContact O-N 3.45Å; E593-Q595 PolarHBondContact O-N 3.4Å; E593-T596 WeakPolarHBondContact O-CB 3.49Å; E593-T596 PolarHBondContact O-N 2.92Å; E593-L597 WeakPolarHBondContact O-CG 3.41Å; E593-L597 PolarHBondContact O-N 2.85Å
594	H	95.8	Very high	92.5	Very high	25 Å²	25	69.3 Å²	69.3	12%	0.116	35%	0.353	C	S	.	.	H	α-helix	trans	-60	-47.6	178.4	-173.1	69.7	0	0	0	112.5	S570 V574 A590 Y591 D592 T596 L597 L598	S570-H594 VanDerWaalsContact OG-CA 3.29Å; S570-H594 WeakPolarHBondContact OG-CA 3.27Å; S570-H594 VanDerWaalsContact OG-CB 3.24Å; S570-H594 WeakPolarHBondContact OG-CB 3.48Å; S570-H594 PolarHBondContact OG-ND1 3.02Å; V574-H594 HydrophobicContact CG2-CB 4.35Å; A590-H594 WeakPolarHBondContact O-CB 3.33Å; A590-H594 PolarHBondContact O-N 3.13Å; Y591-H594 WeakPolarHBondContact O-CB 3.33Å; Y591-H594 PolarHBondContact O-N 3.28Å; D592-H594 VanDerWaalsContact C-N 3.33Å; D592-H594 PolarHBondContact O-N 2.83Å; H594-T596 PolarHBondContact O-N 3.39Å; H594-L597 PolarHBondContact O-N 3.46Å; H594-L598 PolarHBondContact O-N 3.29Å
595	Q	94.6	Very high	91.9	Very high	61 Å²	61	69.4 Å²	69.4	29%	0.285	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-34.1	177.1	-69	-60.2	-33.3	0	0	112.1	Y591 D592 E593 K599	Y591-Q595 HydrophobicContact CD1-CG 4.03Å; Y591-Q595 HydrophobicContact CE1-CG 3.84Å; Y591-Q595 WeakPolarHBondContact O-CG 3.37Å; Y591-Q595 PolarHBondContact O-N 3.42Å; Y591-Q595 PolarHBondContact OH-NE2 3.22Å; D592-Q595 PolarHBondContact O-N 3.06Å; E593-Q595 PolarHBondContact O-N 3.4Å; Q595-K599 WeakPolarHBondContact O-CG 3.35Å; Q595-K599 PolarHBondContact O-N 3Å; Q595-K599 VanDerWaalsContact O-N 3.12Å
596	T	94.4	Very high	91.1	Very high	84 Å²	84	72.1 Å²	72.1	52%	0.515	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-42.8	175.9	-57.8	0	0	0	0	111.3	D592 E593 H594 K599 E600	D592-T596 PolarHBondContact O-N 2.95Å; D592-T596 PolarHBondContact O-OG1 2.55Å; E593-T596 WeakPolarHBondContact O-CB 3.49Å; E593-T596 PolarHBondContact O-N 2.92Å; H594-T596 PolarHBondContact O-N 3.39Å; T596-K599 PolarHBondContact O-N 2.88Å; T596-E600 PolarHBondContact O-N 3.06Å
597	L	92.9	Very high	90.1	Very high	10 Å²	10	75.7 Å²	75.7	5%	0.052	36%	0.363	C	S	.	.	H	α-helix	trans	-66.4	-37.6	176.8	-66	167.2	0	0	0	112.9	V557 I563 R566 I567 E593 H594 E600 Q601	V557-L597 HydrophobicContact CG1-CD1 3.66Å; I563-L597 HydrophobicContact CD1-CD2 3.96Å; R566-L597 VanDerWaalsContact NH2-CD2 3.33Å; I567-L597 HydrophobicContact CG1-CB 3.85Å; E593-L597 WeakPolarHBondContact O-CG 3.41Å; E593-L597 PolarHBondContact O-N 2.85Å; H594-L597 PolarHBondContact O-N 3.46Å; L597-E600 WeakPolarHBondContact O-CB 3.44Å; L597-E600 PolarHBondContact O-N 2.96Å; L597-Q601 WeakPolarHBondContact O-CB 3.28Å; L597-Q601 PolarHBondContact O-N 3.36Å
598	L	92.7	Very high	89	Confident	49 Å²	49	78.3 Å²	78.3	26%	0.257	39%	0.388	S	S	.	.	H	α-helix	trans	-61.5	-45.1	173.9	-70.4	174.2	0	0	0	111.2	I567 H594 E600 Q601 D602	I567-L598 HydrophobicContact CD1-CD2 4.36Å; I567-L598 HydrophobicContact CG2-CD2 4.1Å; H594-L598 PolarHBondContact O-N 3.29Å; L598-E600 PolarHBondContact O-N 2.8Å; L598-Q601 PolarHBondContact O-N 2.8Å; L598-D602 PolarHBondContact O-N 3.18Å
599	K	92.9	Very high	87.2	Confident	142 Å²	142	80.4 Å²	80.4	62%	0.617	40%	0.395	S	S	*	.	H	α-helix	trans	-62.5	-41.4	175.3	-70.2	169.5	-174.7	170.1	0	112.1	Q595 T596 D602 S603	Q595-K599 WeakPolarHBondContact O-CG 3.35Å; Q595-K599 PolarHBondContact O-N 3Å; Q595-K599 VanDerWaalsContact O-N 3.12Å; T596-K599 PolarHBondContact O-N 2.88Å; K599-D602 PolarHBondContact O-N 3.06Å; K599-S603 WeakPolarHBondContact O-CB 3.28Å; K599-S603 PolarHBondContact O-N 3.44Å
600	E	91.8	Very high	85.5	Confident	73 Å²	73	82.7 Å²	82.7	34%	0.341	41%	0.407	S	S	.	.	H	α-helix	trans	-59.1	-48.5	175	-172.5	-174	154.9	0	0	110.6	I563 R566 T596 L597 L598 D602 S603 L604	I563-E600 HydrophobicContact CD1-CG 4.42Å; R566-E600 IonicContact NH1-OE1 3.79Å; T596-E600 PolarHBondContact O-N 3.06Å; L597-E600 WeakPolarHBondContact O-CB 3.44Å; L597-E600 PolarHBondContact O-N 2.96Å; L598-E600 PolarHBondContact O-N 2.8Å; E600-D602 PolarHBondContact O-N 3.02Å; E600-S603 PolarHBondContact O-N 2.83Å; E600-S603 PolarHBondContact O-OG 3.16Å; E600-L604 HydrophobicContact CG-CD1 4.37Å; E600-L604 WeakPolarHBondContact O-CG 3.36Å; E600-L604 PolarHBondContact O-N 2.85Å
601	Q	92.1	Very high	83.3	Confident	30 Å²	30	85.7 Å²	85.7	14%	0.14	44%	0.438	C	S	.	.	H	α-helix	trans	-59.5	-45.9	177.4	-176.1	-173.6	49	0	0	112.5	I563 I567 L597 L598 S603 L604 K605	I563-Q601 HydrophobicContact CG1-CB 4.21Å; I563-Q601 HydrophobicContact CG2-CG 4.49Å; I567-Q601 HydrophobicContact CD1-CB 3.79Å; I567-Q601 HydrophobicContact CD1-CG 4.14Å; L597-Q601 WeakPolarHBondContact O-CB 3.28Å; L597-Q601 PolarHBondContact O-N 3.36Å; L598-Q601 PolarHBondContact O-N 2.8Å; Q601-S603 VanDerWaalsContact C-N 3.3Å; Q601-S603 PolarHBondContact O-N 3.36Å; Q601-L604 PolarHBondContact O-N 3.05Å; Q601-K605 WeakPolarHBondContact O-CG 3.39Å; Q601-K605 PolarHBondContact O-N 3.38Å
602	D	88.7	Confident	81	Confident	67 Å²	67	84.6 Å²	84.6	36%	0.358	45%	0.449	S	S	.	.	H	α-helix	trans	-66.6	-33	178.9	-73.3	-18	0	0	0	112.4	L598 K599 E600 K605 R606	L598-D602 PolarHBondContact O-N 3.18Å; K599-D602 PolarHBondContact O-N 3.06Å; E600-D602 PolarHBondContact O-N 3.02Å; D602-K605 IonicContact OD1-NZ 3.52Å; D602-R606 WeakPolarHBondContact O-CG 3.46Å; D602-R606 PolarHBondContact O-N 3.3Å
603	S	86.8	Confident	78.5	Confident	48 Å²	48	88.8 Å²	88.8	34%	0.336	47%	0.465	S	S	.	.	H	α-helix	trans	-67.8	-37.1	174.6	80.6	0	0	0	0	112.3	K599 E600 Q601 K607	K599-S603 WeakPolarHBondContact O-CB 3.28Å; K599-S603 PolarHBondContact O-N 3.44Å; E600-S603 PolarHBondContact O-N 2.83Å; E600-S603 PolarHBondContact O-OG 3.16Å; Q601-S603 VanDerWaalsContact C-N 3.3Å; Q601-S603 PolarHBondContact O-N 3.36Å; S603-K607 WeakPolarHBondContact O-CG 3.47Å; S603-K607 PolarHBondContact O-N 2.92Å
604	L	84	Confident	75.7	Confident	84 Å²	84	95 Å²	95	44%	0.44	49%	0.494	S	S	.	.	H	α-helix	trans	-69.6	-39.8	176.2	-70.3	168.9	0	0	0	111.3	E600 Q601 K607 A608	E600-L604 HydrophobicContact CG-CD1 4.37Å; E600-L604 WeakPolarHBondContact O-CG 3.36Å; E600-L604 PolarHBondContact O-N 2.85Å; Q601-L604 PolarHBondContact O-N 3.05Å; L604-K607 PolarHBondContact O-N 2.96Å; L604-A608 PolarHBondContact O-N 3.37Å
605	K	80.3	Confident	73	Confident	103 Å²	103	99.4 Å²	99.4	45%	0.448	53%	0.525	S	S	.	.	H	α-helix	trans	-60.1	-49.6	173	-73.1	176.1	-176.6	166.2	0	111.7	Q601 D602 K607 A608 E609	Q601-K605 WeakPolarHBondContact O-CG 3.39Å; Q601-K605 PolarHBondContact O-N 3.38Å; D602-K605 IonicContact OD1-NZ 3.52Å; K605-K607 VanDerWaalsContact C-N 3.29Å; K605-K607 PolarHBondContact O-N 3.36Å; K605-A608 PolarHBondContact O-N 3.21Å; K605-A608 VanDerWaalsContact O-N 3.14Å; K605-E609 WeakPolarHBondContact O-CG 3.24Å; K605-E609 PolarHBondContact O-N 2.98Å
606	R	75.3	Confident	70.1	Confident	158 Å²	158	105.9 Å²	105.9	60%	0.596	56%	0.555	S	S	*	*	H	α-helix	trans	-61.5	-34.2	177.8	-75.8	-176.3	-113.2	174.6	-6.7	113.3	D602 N610	D602-R606 WeakPolarHBondContact O-CG 3.46Å; D602-R606 PolarHBondContact O-N 3.3Å; R606-N610 VanDerWaalsContact O-CG 3.31Å; R606-N610 PolarHBondContact O-N 2.93Å; R606-N610 PolarHBondContact O-ND2 3.39Å
607	K	71.4	Confident	67.2	Low	153 Å²	153	111.2 Å²	111.2	67%	0.665	57%	0.574	S	S	*	*	H	α-helix	trans	-71.6	-35.4	174.9	-77.4	177.6	179.4	178.7	0	112.8	S603 L604 K605 N610	S603-K607 WeakPolarHBondContact O-CG 3.47Å; S603-K607 PolarHBondContact O-N 2.92Å; L604-K607 PolarHBondContact O-N 2.96Å; K605-K607 VanDerWaalsContact C-N 3.29Å; K605-K607 PolarHBondContact O-N 3.36Å; K607-N610 PolarHBondContact O-N 3.35Å
608	A	68.6	Low	64.5	Low	77 Å²	77	120.7 Å²	120.7	64%	0.636	62%	0.615	S	S	*	*	H	α-helix	trans	-69.6	-35.5	175.6	0	0	0	0	0	112.1	L604 K605 N610	L604-A608 PolarHBondContact O-N 3.37Å; K605-A608 PolarHBondContact O-N 3.21Å; K605-A608 VanDerWaalsContact O-N 3.14Å; A608-N610 VanDerWaalsContact C-N 3.34Å
609	E	57.1	Low	61.9	Low	141 Å²	141	127.5 Å²	127.5	66%	0.659	64%	0.642	S	S	*	*	H	α-helix	trans	-70.6	-26.9	175.9	-72.9	171.2	173	0	0	113.3	K605	K605-E609 WeakPolarHBondContact O-CG 3.24Å; K605-E609 PolarHBondContact O-N 2.98Å
610	N	57.4	Low	58.9	Low	143 Å²	143	125.8 Å²	125.8	77%	0.765	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	2.5	-179.5	-71.2	-14.2	0	0	0	114.3	R606 K607 A608	R606-N610 VanDerWaalsContact O-CG 3.31Å; R606-N610 PolarHBondContact O-N 2.93Å; R606-N610 PolarHBondContact O-ND2 3.39Å; K607-N610 PolarHBondContact O-N 3.35Å; A608-N610 VanDerWaalsContact C-N 3.34Å
611	G	49	Very low	56	Low	64 Å²	64	129.8 Å²	129.8	66%	0.66	67%	0.673	S	S	*	*			trans	-104	7.7	-172.4	0	0	0	0	0	116.3
612	S	45.5	Very low	52.9	Low	101 Å²	101	135.2 Å²	135.2	71%	0.706	71%	0.709	S	S	*	*			trans	-110.3	58.2	-179.1	64.7	0	0	0	0	112.7
613	E	42.1	Very low	50	Low	189 Å²	189	139.8 Å²	139.8	88%	0.883	73%	0.728	S	S	*	*			trans	-132.6	92.2	161.9	-78.8	-168.5	164.7	0	0	109.2
614	E	35.7	Very low	47.1	Very low	193 Å²	193	144.5 Å²	144.5	90%	0.902	75%	0.749	S	S	*	*			trans	-133.4	150	148.6	-94.6	-156.2	167.4	0	0	109.8
615	P	40.6	Very low	44.3	Very low	117 Å²	117	146.9 Å²	146.9	76%	0.76	77%	0.767	S	S	*	*			trans	-86	148.2	-151.5	28.9	-24.5	0	0	0	113.8	E617	P615-E617 PolarHBondContact O-N 3.34Å
616	E	33.9	Very low	41.7	Very low	197 Å²	197	148.2 Å²	148.2	92%	0.921	78%	0.784	S	S	*	*			trans	-58.5	124	172.1	-69.4	-176.2	140.2	0	0	112.2
617	E	33.4	Very low	39.3	Very low	196 Å²	196	146.7 Å²	146.7	92%	0.916	80%	0.798	S	S	*	*			trans	-117.6	142.6	151.5	-83.4	-165.2	161.3	0	0	111.5	P615	P615-E617 PolarHBondContact O-N 3.34Å
618	K	35.7	Very low	37.1	Very low	209 Å²	209	145 Å²	145	91%	0.909	81%	0.806	S	S	*	*			trans	-73.2	130.9	-156.7	-73.5	170.7	172.4	170	0	115.5
619	K	37.5	Very low	35	Very low	192 Å²	192	146.8 Å²	146.8	84%	0.835	81%	0.813	S	S	*	*			trans	4.8	137.3	149.3	-71.9	-177.6	173.6	-178	0	120.9
620	A	29.8	Very low	33.4	Very low	106 Å²	106	146.4 Å²	146.4	88%	0.876	82%	0.821	S	S	*	*			trans	-134.3	133.8	131.4	0	0	0	0	0	110.9
621	H	31.6	Very low	31.7	Very low	157 Å²	157	147.7 Å²	147.7	73%	0.727	82%	0.822	S	S	*	*			trans	-79.1	142.7	-175.7	-123.5	-55.4	0	0	0	112.1
622	T	27.5	Very low	30.6	Very low	144 Å²	144	153.8 Å²	153.8	88%	0.883	84%	0.836	S	S	*	*			trans	-162.1	145.3	137.9	3.9	0	0	0	0	110.6
623	E	26.8	Very low	29.7	Very low	164 Å²	164	156.5 Å²	156.5	77%	0.766	84%	0.841	S	S	*	*			trans	-81.7	153.1	-160.4	-67.9	168.7	143.6	0	0	115.8
624	D	25.6	Very low	29.1	Very low	146 Å²	146	155.1 Å²	155.1	78%	0.781	84%	0.84	S	S	*	*			trans	53.8	120.2	144.1	-66.4	-12.9	0	0	0	122.3
625	T	25.8	Very low	28.6	Very low	134 Å²	134	148.9 Å²	148.9	82%	0.822	83%	0.827	S	S	*	*				-170	143.3	99.3	-63.2	0	0	0	0	111
626	T	26.3	Very low	27.8	Very low	131 Å²	131	151.2 Å²	151.2	80%	0.804	83%	0.833	S	S	*	*			trans	-45	136.4	-172.7	44.3	0	0	0	0	118.7
627	S	24.5	Very low	27.9	Very low	126 Å²	126	148.6 Å²	148.6	88%	0.881	83%	0.825	S	S	*	*			trans	-145	127.4	153.9	-73.6	0	0	0	0	109.9
628	S	25.4	Very low	27.6	Very low	118 Å²	118	148.7 Å²	148.7	83%	0.825	83%	0.825	S	S	*	*			trans	-66.4	128.7	-170.6	32.6	0	0	0	0	113.3
629	S	22.8	Very low	27.3	Very low	114 Å²	114	141.4 Å²	141.4	80%	0.797	80%	0.804	S	S	*	*			trans	-70.5	123.4	170.6	38.7	0	0	0	0	111.2
630	T	23.9	Very low	27.1	Very low	134 Å²	134	138.4 Å²	138.4	82%	0.822	80%	0.797	S	S	*	*			trans	-98	103.5	164.4	-54.7	0	0	0	0	108.1
631	Q	23.2	Very low	27	Very low	169 Å²	169	142 Å²	142	79%	0.79	80%	0.795	S	S	*	*			trans	-67.1	129.6	168.3	-76.4	176.5	-41.8	0	0	109.4	I633	Q631-I633 PolarHBondContact O-N 2.95Å
632	M	24.1	Very low	26.8	Very low	193 Å²	193	137.5 Å²	137.5	95%	0.951	79%	0.785	S	S	*	*			trans	-74.3	112.4	168.6	-67.3	-152.2	-171.4	0	0	108.9
633	I	26.8	Very low	27.1	Very low	157 Å²	157	135.8 Å²	135.8	81%	0.805	78%	0.775	S	S	*	*			trans	-81.9	131.7	173	-70.7	174.7	0	0	0	109	Q631	Q631-I633 PolarHBondContact O-N 2.95Å
634	D	29.9	Very low	27.7	Very low	161 Å²	161	135 Å²	135	86%	0.861	77%	0.766	S	S	*	*			trans	-52.3	134.7	170.9	-143.1	-4.5	0	0	0	111.6
635	G	25.4	Very low	27.9	Very low	62 Å²	62	132.8 Å²	132.8	64%	0.639	75%	0.754	S	S	*	*			trans	-127.2	94.5	-171.7	0	0	0	0	0	112
636	D	24.4	Very low	28.2	Very low	166 Å²	166	133.2 Å²	133.2	89%	0.888	74%	0.741	S	S	*	*			trans	-64.5	141	178.7	-145.4	-10	0	0	0	112.5	Q638	D636-Q638 PolarHBondContact O-N 3.08Å
637	L	35.7	Very low	28.4	Very low	141 Å²	141	128.6 Å²	128.6	74%	0.738	72%	0.715	S	S	*	*	S	Bend	trans	-97.6	52.9	-155.1	-145.5	96.5	0	0	0	113.1
638	Q	27.3	Very low	28.5	Very low	199 Å²	199	125.7 Å²	125.7	93%	0.93	70%	0.698	S	S	*	*			trans	-101.7	20.5	167.2	-88	-175.8	-8.5	0	0	113.4	D636 N640	D636-Q638 PolarHBondContact O-N 3.08Å; Q638-N640 PolarHBondContact O-N 2.96Å
639	A	27.9	Very low	28.9	Very low	55 Å²	55	129.9 Å²	129.9	46%	0.455	70%	0.696	S	S	.	*			trans	-91.3	25.8	-175	0	0	0	0	0	115.1	Q641 A642	A639-Q641 PolarHBondContact O-N 3.25Å; A639-Q641 VanDerWaalsContact O-N 3.14Å; A639-A642 HydrophobicContact CB-CB 4.2Å; A639-A642 PolarHBondContact O-N 3.33Å
640	N	34.4	Very low	29.5	Very low	129 Å²	129	128.8 Å²	128.8	69%	0.69	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-8.4	-179.7	-95.8	-21.6	0	0	0	114.4	Q638	Q638-N640 PolarHBondContact O-N 2.96Å
641	Q	27.9	Very low	29.5	Very low	181 Å²	181	129.2 Å²	129.2	85%	0.846	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-12.2	169.3	-77.8	-178.2	-11.3	0	0	114.2	A639	A639-Q641 PolarHBondContact O-N 3.25Å; A639-Q641 VanDerWaalsContact O-N 3.14Å
642	A	27.3	Very low	29.6	Very low	63 Å²	63	131 Å²	131	52%	0.521	67%	0.669	S	S	.	*	G	3₁₀ helix	trans	-85.3	-13.8	-176.3	0	0	0	0	0	113.9	A639 Y644 N645	A639-A642 HydrophobicContact CB-CB 4.2Å; A639-A642 PolarHBondContact O-N 3.33Å; A642-Y644 PolarHBondContact O-N 2.88Å; A642-N645 PolarHBondContact O-N 3.41Å
643	V	34.3	Very low	29.7	Very low	109 Å²	109	129.7 Å²	129.7	66%	0.661	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-64.8	-19.8	178.7	-177.5	0	0	0	0	112.4
644	Y	39	Very low	30	Very low	147 Å²	147	128.4 Å²	128.4	58%	0.576	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-95.4	1.7	-177.7	-61	-73.2	0	0	0	114.2	A642 Y646	A642-Y644 PolarHBondContact O-N 2.88Å; Y644-Y646 PolarHBondContact O-N 3.34Å
645	N	29.2	Very low	29.7	Very low	99 Å²	99	129.9 Å²	129.9	53%	0.529	65%	0.653	S	S	.	*			trans	-79.2	101.3	-174.3	-142.4	-14.1	0	0	0	110.6	A642 S647 A648	A642-N645 PolarHBondContact O-N 3.41Å; N645-S647 PolarHBondContact ND2-OG 3Å; N645-S647 PolarHBondContact O-N 2.93Å; N645-S647 VanDerWaalsContact OD1-CB 3.24Å; N645-S647 WeakPolarHBondContact OD1-CB 3.4Å; N645-S647 PolarHBondContact OD1-N 3.4Å; N645-S647 PolarHBondContact OD1-OG 3.2Å; N645-A648 PolarHBondContact O-N 2.97Å
646	Y	33	Very low	29.8	Very low	143 Å²	143	133 Å²	133	56%	0.561	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-51.1	-23.8	165.2	-99.4	-96.2	0	0	0	111.3	Y644 A648 Y650	Y644-Y646 PolarHBondContact O-N 3.34Å; Y646-A648 PolarHBondContact O-N 3.48Å; Y646-Y650 VanDerWaalsContact O-CD2 3.25Å; Y646-Y650 WeakPolarHBondContact O-CD2 3.47Å
647	S	29.1	Very low	30	Very low	35 Å²	35	129.4 Å²	129.4	25%	0.245	64%	0.641	C	S	.	*	G	3₁₀ helix	trans	-66.4	-25.3	-176.8	75.4	0	0	0	0	115.6	N645 W649 Y650 Q651	N645-S647 PolarHBondContact ND2-OG 3Å; N645-S647 PolarHBondContact O-N 2.93Å; N645-S647 VanDerWaalsContact OD1-CB 3.24Å; N645-S647 WeakPolarHBondContact OD1-CB 3.4Å; N645-S647 PolarHBondContact OD1-N 3.4Å; N645-S647 PolarHBondContact OD1-OG 3.2Å; S647-W649 PolarHBondContact O-N 3.23Å; S647-W649 VanDerWaalsContact O-N 3.15Å; S647-Y650 CarbonylContact O-C 3.53Å; S647-Y650 WeakPolarHBondContact O-CA 3.48Å; S647-Y650 PolarHBondContact O-N 3.22Å; S647-Q651 WeakPolarHBondContact O-CB 3.42Å; S647-Q651 WeakPolarHBondContact O-CG 3.47Å; S647-Q651 PolarHBondContact O-N 3.35Å
648	A	28.4	Very low	29.6	Very low	65 Å²	65	129 Å²	129	54%	0.537	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-65.5	-24.3	-172.2	0	0	0	0	0	113.1	N645 Y646	N645-A648 PolarHBondContact O-N 2.97Å; Y646-A648 PolarHBondContact O-N 3.48Å
649	W	32.8	Very low	29.5	Very low	206 Å²	206	126.2 Å²	126.2	78%	0.78	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-92.5	-14.7	172.6	-80.7	87.4	0	0	0	113.8	S647	S647-W649 PolarHBondContact O-N 3.23Å; S647-W649 VanDerWaalsContact O-N 3.15Å
650	Y	34.3	Very low	29.5	Very low	90 Å²	90	133.4 Å²	133.4	35%	0.353	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.6	-7.3	171.3	-72.5	-92.2	0	0	0	112.2	M456 Y646 S647 Y652	M456-Y650 HydrophobicContact CE-CE1 4.49Å; Y646-Y650 VanDerWaalsContact O-CD2 3.25Å; Y646-Y650 WeakPolarHBondContact O-CD2 3.47Å; S647-Y650 CarbonylContact O-C 3.53Å; S647-Y650 WeakPolarHBondContact O-CA 3.48Å; S647-Y650 PolarHBondContact O-N 3.22Å; Y650-Y652 PolarHBondContact O-N 3.09Å
651	Q	25.2	Very low	29.2	Very low	144 Å²	144	129.1 Å²	129.1	67%	0.673	62%	0.624	S	S	*	*			trans	-81.1	57.7	178.9	-89.2	-178.8	-25.5	0	0	112.5	S647	S647-Q651 WeakPolarHBondContact O-CB 3.42Å; S647-Q651 WeakPolarHBondContact O-CG 3.47Å; S647-Q651 PolarHBondContact O-N 3.35Å
652	Y	25.9	Very low	29.1	Very low	207 Å²	207	128.7 Å²	128.7	81%	0.812	62%	0.623	S	S	*	*	S	Bend	trans	-114.2	91.3	148.2	-90.7	-82.8	0	0	0	107	Y650 Y654	Y650-Y652 PolarHBondContact O-N 3.09Å; Y652-Y654 WeakPolarHBondContact O-CD2 3.49Å; Y652-Y654 PolarHBondContact O-N 2.92Å
653	N	26.5	Very low	29	Very low	165 Å²	165	136.7 Å²	136.7	88%	0.882	64%	0.641	S	S	*	*	S	Bend	trans	48	43.9	162.3	-86.2	-7.9	0	0	0	119.1
654	Y	31.2	Very low	28.8	Very low	129 Å²	129	142.3 Å²	142.3	51%	0.506	65%	0.652	S	S	.	*			trans	-126	116.3	167.6	-71	-74.3	0	0	0	111.4	E387 Y652 N656	E387-Y654 PolarHBondContact OE1-OH 3.43Å; E387-Y654 VanDerWaalsContact OE1-OH 3.06Å; Y652-Y654 WeakPolarHBondContact O-CD2 3.49Å; Y652-Y654 PolarHBondContact O-N 2.92Å; Y654-N656 PolarHBondContact O-N 3.28Å
655	Q	25.3	Very low	28.3	Very low	193 Å²	193	140.5 Å²	140.5	90%	0.902	66%	0.658	S	S	*	*			trans	-64.8	118	165.1	-91.5	170.5	-26.9	0	0	108.3	P657	Q655-P657 WeakPolarHBondContact O-CD 3.28Å
656	N	26.3	Very low	28.3	Very low	127 Å²	127	141.3 Å²	141.3	68%	0.679	67%	0.669	S	S	*	*			trans	-71.2	113.7	-175.7	-140.3	7.4	0	0	0	109.7	Y654 W658	Y654-N656 PolarHBondContact O-N 3.28Å; N656-W658 VanDerWaalsContact C-N 3.35Å
657	P	28.2	Very low	28	Very low	90 Å²	90	140.1 Å²	140.1	58%	0.584	68%	0.678	S	S	*	*	S	Bend	trans	-83.9	-12.5	178.8	-9.1	27.7	0	0	0	113	Q655	Q655-P657 WeakPolarHBondContact O-CD 3.28Å
658	W	28.9	Very low	28.2	Very low	132 Å²	132	144.5 Å²	144.5	50%	0.5	71%	0.706	S	S	.	*	S	Bend	trans	-130.9	102.2	-176.3	-66.1	114.1	0	0	0	109.8	N656 Y660	N656-W658 VanDerWaalsContact C-N 3.35Å; W658-Y660 HydrophobicContact CB-CD2 4.47Å; W658-Y660 PolarHBondContact O-N 3Å
659	N	24.5	Very low	28.9	Very low	142 Å²	142	151.5 Å²	151.5	76%	0.759	74%	0.743	S	S	*	*			trans	-77.1	84.5	176.4	-162.2	22	0	0	0	109.1	G661	N659-G661 PolarHBondContact O-N 3.11Å
660	Y	27	Very low	28.7	Very low	205 Å²	205	148.8 Å²	148.8	80%	0.804	74%	0.741	S	S	*	*			trans	-73.5	70.9	166.8	-93.6	-86.9	0	0	0	109.6	W658	W658-Y660 HydrophobicContact CB-CD2 4.47Å; W658-Y660 PolarHBondContact O-N 3Å
661	G	28.1	Very low	28.4	Very low	39 Å²	39	151.9 Å²	151.9	40%	0.402	76%	0.761	S	S	.	*			trans	-170.8	122.6	176	0	0	0	0	0	108.9	N659	N659-G661 PolarHBondContact O-N 3.11Å
662	Q	27.1	Very low	28.6	Very low	173 Å²	173	152.3 Å²	152.3	81%	0.808	77%	0.766	S	S	*	*			trans	93.4	75.1	-176.3	-51.7	-64.3	-7	0	0	115.4
663	Y	25.1	Very low	28.7	Very low	230 Å²	230	149.1 Å²	149.1	90%	0.902	76%	0.763	S	S	*	*			trans	-158.7	91.5	136	-100.6	-75.5	0	0	0	108.2
664	Y	30	Very low	28.9	Very low	227 Å²	227	148.1 Å²	148.1	89%	0.89	76%	0.756	S	S	*	*			trans	-126	116.1	160.5	-84.8	-84.2	0	0	0	106.6
665	P	27.3	Very low	28.7	Very low	110 Å²	110	149.4 Å²	149.4	71%	0.714	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-70.8	142.7	163.3	30	-30.1	0	0	0	108.8
666	P	29.5	Very low	28.9	Very low	116 Å²	116	146.3 Å²	146.3	75%	0.753	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-67.1	153.6	178.4	27.9	-32.9	0	0	0	111.2
667	P	28.4	Very low	29.1	Very low	117 Å²	117	147.8 Å²	147.8	76%	0.76	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-65.6	146.6	177.7	28	-32.4	0	0	0	110.6	T669	P667-T669 PolarHBondContact O-N 3.08Å
668	P	32.5	Very low	29.2	Very low	127 Å²	127	152.6 Å²	152.6	83%	0.825	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-66.2	135.4	176.6	27.4	-30.9	0	0	0	110
669	T	42.3	Very low	29.3	Very low	213 Å²	213	154.5 Å²	154.5	100%	1.307	81%	0.811	S	S	*	*			trans	-62.4	0	176.1	46.2	0	0	0	0	113.4	P667	P667-T669 PolarHBondContact O-N 3.08Å

Retrieved 669 of 669 residues in 831.6 ms (Link to these results)

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