A0A096MBQ6_POEFO Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A096MBQ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 718 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	34.7	Very low	41.9	Very low	247 Å²	247	140.7 Å²	140.7	100%	1.217	86%	0.855	S	S	*	*				0	155.7	0	-69.9	174.2	165.6	0	0	108.6
2	K	41.2	Very low	40.9	Very low	205 Å²	205	143 Å²	143	89%	0.891	86%	0.859	S	S	*	*				-157.5	160.8	-51	-117.6	-143.2	173.6	-175.3	0	107.1
3	P	69.5	Low	40.3	Very low	123 Å²	123	150.3 Å²	150.3	80%	0.799	86%	0.862	S	S	*	*			trans	-124	-161.5	-158.4	45.2	-33.4	0	0	0	113.3
4	G	39.5	Very low	39.5	Very low	73 Å²	73	147.9 Å²	147.9	75%	0.753	86%	0.858	S	S	*	*			trans	142.8	148.8	141	0	0	0	0	0	117.5
5	Q	37.7	Very low	38.6	Very low	204 Å²	204	150.2 Å²	150.2	95%	0.953	86%	0.861	S	S	*	*			trans	-141.3	-175.4	178.7	-109.8	-175.9	-3	0	0	112.9
6	S	32.8	Very low	37.9	Very low	106 Å²	106	151.8 Å²	151.8	74%	0.741	86%	0.861	S	S	*	*			trans	-97.2	166.2	-157	44	0	0	0	0	118.7
7	P	62.3	Low	37.3	Very low	127 Å²	127	153.8 Å²	153.8	83%	0.825	86%	0.861	S	S	*	*			trans	-97.4	-173.8	171.5	40.5	-37	0	0	0	113.7
8	G	30.6	Very low	36.7	Very low	65 Å²	65	153.7 Å²	153.7	67%	0.67	86%	0.857	S	S	*	*			cis	141.1	169.8	-5.5	0	0	0	0	0	114.4
9	V	29.5	Very low	36.1	Very low	144 Å²	144	151.7 Å²	151.7	87%	0.873	86%	0.855	S	S	*	*			trans	76	152.6	164.8	-171.5	0	0	0	0	117.2
10	P	49.3	Very low	35.7	Very low	122 Å²	122	152.8 Å²	152.8	79%	0.792	85%	0.853	S	S	*	*			cis	-126.7	-158.6	-28.3	39.3	-20	0	0	0	115
11	C	34.1	Very low	35.2	Very low	132 Å²	132	154 Å²	154	89%	0.892	85%	0.85	S	S	*	*			trans	-107.9	166	-179.4	-56.1	0	0	0	0	116
12	D	29.6	Very low	35	Very low	168 Å²	168	147.9 Å²	147.9	90%	0.898	83%	0.828	S	S	*	*			trans	-157.3	157.7	156.4	-158.9	-7.7	0	0	0	112
13	R	33.1	Very low	34.3	Very low	238 Å²	238	143.7 Å²	143.7	90%	0.898	82%	0.82	S	S	*	*			trans	-169.4	118.6	-177.5	-170.3	-173.9	-166.1	-163.8	6.3	116.3
14	S	28.4	Very low	32.3	Very low	116 Å²	116	148.6 Å²	148.6	81%	0.811	82%	0.822	S	S	*	*			trans	-167.2	167.8	153.5	-153.4	0	0	0	0	117.1
15	M	26.2	Very low	31.7	Very low	183 Å²	183	155.9 Å²	155.9	90%	0.901	83%	0.827	S	S	*	*			trans	75.7	162.5	166.8	-72.9	-162.9	167.9	0	0	121.7
16	M	28.3	Very low	31.2	Very low	175 Å²	175	154 Å²	154	86%	0.862	82%	0.817	S	S	*	*			trans	-132.4	158.1	-155.1	-47.9	175	-176.9	0	0	113.6
17	H	26.5	Very low	31	Very low	186 Å²	186	154.1 Å²	154.1	86%	0.861	82%	0.819	S	S	*	*				-168.1	169.6	124.5	-118.7	-88.8	0	0	0	113.9
18	L	27.5	Very low	29.3	Very low	152 Å²	152	159.5 Å²	159.5	80%	0.796	82%	0.823	S	S	*	*			trans	-89.7	151.7	-168.9	-74.3	65.2	0	0	0	115.6
19	S	26	Very low	29.1	Very low	116 Å²	116	163.4 Å²	163.4	81%	0.811	83%	0.827	S	S	*	*			trans	-158.5	94.1	146.5	63.2	0	0	0	0	115.4
20	Q	27.3	Very low	29	Very low	174 Å²	174	161.5 Å²	161.5	81%	0.813	82%	0.819	S	S	*	*			trans	26.8	119.8	146.4	-68.6	178.2	-14.7	0	0	123.8
21	F	25.8	Very low	27.8	Very low	179 Å²	179	164.9 Å²	164.9	79%	0.785	82%	0.821	S	S	*	*			trans	60.8	160	136.3	-68.4	-62.2	0	0	0	121.5
22	P	29	Very low	27.4	Very low	117 Å²	117	165.5 Å²	165.5	76%	0.76	82%	0.816	S	S	*	*			cis	-116.4	157	5.7	40.5	-29.3	0	0	0	115.9
23	V	27.8	Very low	27.5	Very low	118 Å²	118	163.8 Å²	163.8	72%	0.715	81%	0.811	S	S	*	*			trans	-90	120.1	172.9	176.6	0	0	0	0	110.3	R25	V23-R25 HydrophobicContact CG1-CG 4.31Å
24	R	26.6	Very low	27.1	Very low	226 Å²	226	160.2 Å²	160.2	85%	0.853	81%	0.81	S	S	*	*			trans	-98.5	102.6	160	-78.3	-171.7	173.3	-160.6	-1.3	109.3
25	R	27.4	Very low	27.2	Very low	226 Å²	226	161 Å²	161	85%	0.853	81%	0.805	S	S	*	*			trans	-68.6	144.2	156.5	-73	-179.2	172.1	178.9	-4.4	108.1	V23	V23-R25 HydrophobicContact CG1-CG 4.31Å
26	H	27.8	Very low	27.3	Very low	163 Å²	163	156.2 Å²	156.2	76%	0.755	80%	0.802	S	S	*	*			trans	-114.6	139.9	154.5	-91	26.7	0	0	0	107.7
27	S	27.4	Very low	27.2	Very low	110 Å²	110	154.4 Å²	154.4	77%	0.769	80%	0.801	S	S	*	*			trans	-81.2	142.1	-168	-158.8	0	0	0	0	110.9
28	W	26.6	Very low	27.2	Very low	239 Å²	239	150.7 Å²	150.7	91%	0.905	80%	0.796	S	S	*	*			trans	-65.1	141	152.6	-64.4	56.6	0	0	0	107.1
29	I	28	Very low	27.2	Very low	148 Å²	148	148.8 Å²	148.8	76%	0.759	80%	0.796	S	S	*	*			trans	-99.3	89.1	172.9	-60	179.9	0	0	0	107.1	F31	I29-F31 HydrophobicContact CG2-CD2 4.1Å; I29-F31 HydrophobicContact CG2-CE2 4.16Å
30	C	26.1	Very low	27.3	Very low	104 Å²	104	147 Å²	147	70%	0.703	80%	0.795	S	S	*	*			trans	-86.2	127.3	160	-171.1	0	0	0	0	107.4	D32	C30-D32 PolarHBondContact O-N 3.38Å
31	F	23.6	Very low	27.4	Very low	192 Å²	192	150.8 Å²	150.8	84%	0.842	80%	0.802	S	S	*	*			trans	-83.6	87.2	169.4	-102.3	-87.4	0	0	0	108.4	I29	I29-F31 HydrophobicContact CG2-CD2 4.1Å; I29-F31 HydrophobicContact CG2-CE2 4.16Å
32	D	26.3	Very low	27.4	Very low	145 Å²	145	147.7 Å²	147.7	78%	0.775	80%	0.803	S	S	*	*			trans	-84.9	147.6	170.6	-141.7	-27.9	0	0	0	110.5	C30	C30-D32 PolarHBondContact O-N 3.38Å
33	V	31.3	Very low	28.2	Very low	132 Å²	132	147.1 Å²	147.1	80%	0.8	80%	0.799	S	S	*	*			trans	-100.5	117.2	-172.7	175.2	0	0	0	0	109.4
34	D	25.6	Very low	28.2	Very low	164 Å²	164	149.8 Å²	149.8	88%	0.877	81%	0.808	S	S	*	*			trans	-138.6	146.5	167.6	-148.3	-18.5	0	0	0	112.6
35	N	30.7	Very low	28.1	Very low	133 Å²	133	146 Å²	146	71%	0.711	81%	0.805	S	S	*	*			trans	-123.5	110.5	-157.7	-173.7	22.5	0	0	0	111.2	T37	N35-T37 PolarHBondContact O-N 3.22Å; N35-T37 VanDerWaalsContact O-N 3.11Å
36	G	27.4	Very low	28.9	Very low	82 Å²	82	140 Å²	140	85%	0.845	80%	0.795	S	S	*	*			trans	-65.7	108	-170.7	0	0	0	0	0	114.2
37	T	26.7	Very low	28.8	Very low	136 Å²	136	140.8 Å²	140.8	83%	0.834	80%	0.801	S	S	*	*			trans	-85.5	136.3	-179.6	60.2	0	0	0	0	114.1	N35	N35-T37 PolarHBondContact O-N 3.22Å; N35-T37 VanDerWaalsContact O-N 3.11Å
38	S	26.3	Very low	28.7	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	80%	0.804	S	S	*	*			trans	-158	136.8	157.3	137.8	0	0	0	0	108.3
39	S	28.7	Very low	28.7	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	80%	0.799	S	S	*	*			cis	-141.1	135.5	-2.4	-75.7	0	0	0	0	108.8
40	G	26.8	Very low	29.6	Very low	77 Å²	77	133.2 Å²	133.2	79%	0.794	80%	0.801	S	S	*	*			trans	-90.3	172.8	-159.3	0	0	0	0	0	117.3
41	R	28.8	Very low	29.6	Very low	254 Å²	254	132 Å²	132	96%	0.958	81%	0.806	S	S	*	*			trans	-161.3	153.4	145.8	-107.8	174.1	-173.1	-165.1	1.2	110
42	S	26.3	Very low	29.9	Very low	115 Å²	115	129.3 Å²	129.3	80%	0.804	81%	0.811	S	S	*	*			trans	-161.3	165	178.3	-161.4	0	0	0	0	107.2
43	P	45.9	Very low	29.9	Very low	105 Å²	105	126 Å²	126	68%	0.682	81%	0.811	S	S	*	*			cis	-121.2	-176.5	-7.1	40.6	-26.7	0	0	0	112.9
44	L	27.4	Very low	29.8	Very low	173 Å²	173	127.2 Å²	127.2	91%	0.906	81%	0.812	S	S	*	*				173.9	149.3	126.9	-92.8	165.5	0	0	0	112.9
45	D	25.5	Very low	30.4	Very low	148 Å²	148	126.5 Å²	126.5	79%	0.791	81%	0.807	S	S	*	*			trans	-83.6	178.2	177.2	-97.9	-46.4	0	0	0	113.4
46	P	43.4	Very low	30.4	Very low	98 Å²	98	128.4 Å²	128.4	64%	0.636	82%	0.816	S	S	*	*			cis	-139.8	-163.5	-24.4	33.9	-12.1	0	0	0	113.8
47	M	25.7	Very low	30.7	Very low	181 Å²	181	132.7 Å²	132.7	89%	0.892	81%	0.814	S	S	*	*			trans	90.7	150.8	148.3	-74.5	-69.6	161.2	0	0	123.1
48	A	26.3	Very low	30.7	Very low	99 Å²	99	129.9 Å²	129.9	82%	0.818	81%	0.805	S	S	*	*			trans	83.1	118.3	156.6	0	0	0	0	0	121.2
49	S	26.4	Very low	30.9	Very low	114 Å²	114	132 Å²	132	80%	0.797	81%	0.808	S	S	*	*			trans	-111.7	169.9	149.4	-168.3	0	0	0	0	106.8
50	P	47.5	Very low	30.8	Very low	125 Å²	125	135.6 Å²	135.6	81%	0.812	81%	0.809	S	S	*	*			cis	-125.3	-172.8	-5	42.2	-27.5	0	0	0	113
51	G	25	Very low	31	Very low	79 Å²	79	138.3 Å²	138.3	81%	0.814	81%	0.811	S	S	*	*			trans	164.8	127.1	160.4	0	0	0	0	0	117.1
52	S	29.7	Very low	31.3	Very low	135 Å²	135	134 Å²	134	94%	0.944	80%	0.801	S	S	*	*			trans	-77.7	147.8	176.8	-44.7	0	0	0	0	113.5
53	G	26.2	Very low	31.6	Very low	74 Å²	74	133.9 Å²	133.9	76%	0.763	80%	0.8	S	S	*	*			trans	166	107.1	161.8	0	0	0	0	0	118.8
54	L	29.7	Very low	31.3	Very low	159 Å²	159	137.5 Å²	137.5	83%	0.832	81%	0.808	S	S	*	*			trans	45.6	106.4	145.4	-72.7	162.4	0	0	0	121.2
55	I	37.9	Very low	31.7	Very low	149 Å²	149	139.4 Å²	139.4	76%	0.764	80%	0.803	S	S	*	*				38.7	112.4	129.2	-52.2	172.8	0	0	0	118
56	L	29.9	Very low	32.5	Very low	172 Å²	172	143.8 Å²	143.8	90%	0.901	81%	0.808	S	S	*	*			trans	-145.4	130.4	132	-118.5	170.5	0	0	0	110.8	A58	L56-A58 PolarHBondContact O-N 3.01Å
57	Q	34.9	Very low	32.7	Very low	172 Å²	172	144.2 Å²	144.2	80%	0.804	80%	0.802	S	S	*	*			trans	-82.5	104.1	-169.5	-174.3	176.7	3.3	0	0	111
58	A	26.7	Very low	34.1	Very low	78 Å²	78	137.8 Å²	137.8	65%	0.645	77%	0.774	S	S	*	*			trans	-110.8	122	175	0	0	0	0	0	110.6	L56 F60	L56-A58 PolarHBondContact O-N 3.01Å; A58-F60 VanDerWaalsContact C-N 3.34Å; A58-F60 PolarHBondContact O-N 2.97Å
59	N	30.1	Very low	35.7	Very low	154 Å²	154	136.4 Å²	136.4	82%	0.824	75%	0.75	S	S	*	*			trans	-72.4	83.7	-179.9	-72.4	-15.8	0	0	0	111.5	V61	N59-V61 PolarHBondContact O-N 2.98Å
60	F	26.9	Very low	37	Very low	186 Å²	186	133.3 Å²	133.3	82%	0.816	72%	0.724	S	S	*	*			trans	-76.3	115.9	156.2	-96.9	-91.6	0	0	0	109	A58 H62	A58-F60 VanDerWaalsContact C-N 3.34Å; A58-F60 PolarHBondContact O-N 2.97Å; F60-H62 PolarHBondContact O-N 3.28Å
61	V	31.7	Very low	37.3	Very low	135 Å²	135	133.7 Å²	133.7	82%	0.818	71%	0.71	S	S	*	*			trans	-59	107.7	161.7	177.4	0	0	0	0	106.2	N59 S63	N59-V61 PolarHBondContact O-N 2.98Å; V61-S63 PolarHBondContact O-N 3.29Å
62	H	35.1	Very low	38.5	Very low	164 Å²	164	135.3 Å²	135.3	76%	0.759	69%	0.692	S	S	*	*			trans	-59.1	115.9	168.9	-100.6	61.9	0	0	0	107.2	F60 Q64	F60-H62 PolarHBondContact O-N 3.28Å; H62-Q64 VanDerWaalsContact C-N 3.34Å; H62-Q64 PolarHBondContact O-N 2.97Å
63	S	31.6	Very low	39.2	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	67%	0.668	S	S	*	*			trans	-58.8	103.3	163	32.9	0	0	0	0	106.8	V61 R65	V61-S63 PolarHBondContact O-N 3.29Å; S63-R65 PolarHBondContact O-N 2.77Å
64	Q	38.8	Very low	40.1	Very low	181 Å²	181	133.5 Å²	133.5	85%	0.846	66%	0.659	S	S	*	*			trans	-54.8	106.6	177.7	-76	179.1	-76.1	0	0	107.8	H62 R66	H62-Q64 VanDerWaalsContact C-N 3.34Å; H62-Q64 PolarHBondContact O-N 2.97Å; Q64-R66 PolarHBondContact O-N 3.46Å
65	R	36.6	Very low	40.9	Very low	214 Å²	214	130.1 Å²	130.1	81%	0.808	65%	0.649	S	S	*	*			trans	-61.4	105.2	170.9	-175.5	-177	-163.1	-124.5	5.3	105.1	S63 E67	S63-R65 PolarHBondContact O-N 2.77Å; R65-E67 PolarHBondContact O-N 3.36Å
66	R	41.6	Very low	41.1	Very low	240 Å²	240	128.8 Å²	128.8	91%	0.906	64%	0.643	S	S	*	*			trans	-49.6	112.8	-177.1	179.3	-177.6	177.8	-169.1	-0.8	108.4	Q64 S68	Q64-R66 PolarHBondContact O-N 3.46Å; R66-S68 PolarHBondContact O-N 3.37Å
67	E	49.4	Very low	41.8	Very low	107 Å²	107	126.1 Å²	126.1	50%	0.5	62%	0.622	S	S	.	*			trans	-54.8	124.8	177.7	-69.7	143	-159.5	0	0	108.7	R65 R72	R65-E67 PolarHBondContact O-N 3.36Å; E67-R72 HydrophobicContact CB-CG 4.46Å; E67-R72 IonicContact OE2-NE 3.7Å
68	S	54.5	Low	41.7	Very low	45 Å²	45	124.7 Å²	124.7	32%	0.315	62%	0.62	S	S	.	*			trans	-70	150.3	164.5	48.5	0	0	0	0	108.8	R66 L70 Y71	R66-S68 PolarHBondContact O-N 3.37Å; S68-L70 PolarHBondContact O-N 2.93Å; S68-Y71 PolarHBondContact O-N 2.92Å; S68-Y71 WeakPolarHBondContact OG-CD2 3.44Å
69	F	60.3	Low	42.2	Very low	70 Å²	70	129.1 Å²	129.1	31%	0.307	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-51.9	-22.1	169.3	66.9	-82.1	0	0	0	113.6	Y71 L191 E194	F69-Y71 PolarHBondContact O-N 3.38Å; F69-L191 HydrophobicContact CE1-CD1 4.44Å; F69-L191 HydrophobicContact CE2-CB 4.13Å; F69-L191 HydrophobicContact CE2-CD1 4.33Å; F69-L191 HydrophobicContact CZ-CD1 4.16Å; F69-E194 HydrophobicContact CB-CG 3.8Å; F69-E194 HydrophobicContact CG-CG 4.5Å
70	L	52.8	Low	42.2	Very low	49 Å²	49	126 Å²	126	26%	0.257	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-71	0	173.1	-59.4	176.3	0	0	0	115.5	S68 I100 F187	S68-L70 PolarHBondContact O-N 2.93Å; L70-I100 HydrophobicContact CB-CD1 4.1Å; L70-I100 HydrophobicContact CD2-CD1 4.11Å; L70-I100 WeakPolarHBondContact O-CD1 3.4Å; L70-I100 VanDerWaalsContact O-CG1 3.25Å; L70-I100 WeakPolarHBondContact O-CG1 3.49Å; L70-F187 HydrophobicContact CD2-CD1 3.55Å; L70-F187 HydrophobicContact CD2-CE1 3.87Å; L70-F187 HydrophobicContact CD2-CG 4.47Å
71	Y	53.1	Low	42.7	Very low	133 Å²	133	122.9 Å²	122.9	52%	0.522	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-143.9	39.2	177.5	-58.7	-63.7	0	0	0	112.2	S68 F69	S68-Y71 PolarHBondContact O-N 2.92Å; S68-Y71 WeakPolarHBondContact OG-CD2 3.44Å; F69-Y71 PolarHBondContact O-N 3.38Å
72	R	51.4	Low	43	Very low	114 Å²	114	126.5 Å²	126.5	43%	0.43	63%	0.625	S	S	.	*			trans	-110.4	123.5	174.8	-80.4	-175.7	158.3	-164.1	-14.6	111.1	E67	E67-R72 HydrophobicContact CB-CG 4.46Å; E67-R72 IonicContact OE2-NE 3.7Å
73	S	43.1	Very low	42.7	Very low	62 Å²	62	124.2 Å²	124.2	43%	0.434	63%	0.628	S	S	.	*			trans	-71.3	139.6	175.1	-52.4	0	0	0	0	111.1	S75 D76	S73-S75 VanDerWaalsContact CB-OG 3.29Å; S73-S75 WeakPolarHBondContact CB-OG 3.46Å; S73-S75 PolarHBondContact O-N 3.32Å; S73-S75 VanDerWaalsContact O-N 3.09Å; S73-D76 PolarHBondContact O-N 3.34Å
74	D	45.5	Very low	42.9	Very low	108 Å²	108	128.3 Å²	128.3	58%	0.578	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-65.3	-11.6	176.8	-79.2	-27.4	0	0	0	113.4	D76 R193	D74-D76 VanDerWaalsContact C-N 3.27Å; D74-D76 PolarHBondContact O-N 2.92Å; D74-R193 IonicContact OD1-CZ 3.57Å; D74-R193 IonicContact OD1-NH1 3.55Å; D74-R193 PolarHBondContact OD1-NH1 3.4Å; D74-R193 IonicContact OD1-NH2 3.73Å; D74-R193 PolarHBondContact OD1-NH2 3.43Å; D74-R193 IonicContact OD2-NH1 2.7Å
75	S	46.1	Very low	42.6	Very low	89 Å²	89	125.3 Å²	125.3	62%	0.622	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-64.1	-21.3	177.9	53.9	0	0	0	0	115.4	S73 Y77	S73-S75 VanDerWaalsContact CB-OG 3.29Å; S73-S75 WeakPolarHBondContact CB-OG 3.46Å; S73-S75 PolarHBondContact O-N 3.32Å; S73-S75 VanDerWaalsContact O-N 3.09Å; S75-Y77 VanDerWaalsContact C-N 3.31Å; S75-Y77 PolarHBondContact O-N 2.77Å
76	D	43.2	Very low	42.8	Very low	121 Å²	121	125.6 Å²	125.6	65%	0.647	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-80.6	-6.8	-170.7	-76.6	-2.6	0	0	0	114.5	S73 D74	S73-D76 PolarHBondContact O-N 3.34Å; D74-D76 VanDerWaalsContact C-N 3.27Å; D74-D76 PolarHBondContact O-N 2.92Å
77	Y	43.5	Very low	42.3	Very low	116 Å²	116	121.9 Å²	121.9	46%	0.455	64%	0.635	S	S	.	*	G	3₁₀ helix	trans	-92.9	-8.2	-175.4	-85.7	-85.5	0	0	0	115.3	S75 L79 H197	S75-Y77 VanDerWaalsContact C-N 3.31Å; S75-Y77 PolarHBondContact O-N 2.77Å; Y77-L79 PolarHBondContact O-N 3.01Å; Y77-H197 AromaticContact CE1-CE1 3.93Å; Y77-H197 PolarHBondContact OH-CE1 3.07Å; Y77-H197 VanDerWaalsContact OH-CE1 3.3Å; Y77-H197 PolarHBondContact OH-ND1 3.43Å
78	D	33.9	Very low	41.4	Very low	142 Å²	142	122.9 Å²	122.9	76%	0.759	65%	0.654	S	S	*	*			trans	-85.1	80.4	-172	-152.8	-11.6	0	0	0	112.8	S80	D78-S80 PolarHBondContact O-N 3.49Å
79	L	37.6	Very low	40.3	Very low	171 Å²	171	125.9 Å²	125.9	90%	0.895	68%	0.675	S	S	*	*			trans	-73.8	56.8	179.1	-76.2	175.3	0	0	0	113.5	Y77	Y77-L79 PolarHBondContact O-N 3.01Å
80	S	29.3	Very low	39.3	Very low	89 Å²	89	130.7 Å²	130.7	62%	0.622	70%	0.702	S	S	*	*			trans	-87.4	130	178.1	-168.7	0	0	0	0	112.8	D78 K82	D78-S80 PolarHBondContact O-N 3.49Å; S80-K82 PolarHBondContact O-N 3.16Å
81	P	38.3	Very low	38.3	Very low	120 Å²	120	133.3 Å²	133.3	78%	0.779	73%	0.73	S	S	*	*			trans	-74.7	120.4	-176.1	28.8	-33.9	0	0	0	112.7	S83	P81-S83 PolarHBondContact O-N 3.12Å
82	K	37.3	Very low	37.2	Very low	211 Å²	211	131.5 Å²	131.5	92%	0.917	74%	0.737	S	S	*	*			trans	-30.2	120.1	-179.9	-63.2	175.6	-179.7	175.4	0	115.7	S80	S80-K82 PolarHBondContact O-N 3.16Å
83	S	29.4	Very low	36.3	Very low	115 Å²	115	133.7 Å²	133.7	80%	0.804	76%	0.758	S	S	*	*			trans	-113.9	139.5	147.3	68.3	0	0	0	0	109.5	P81 S85	P81-S83 PolarHBondContact O-N 3.12Å; S83-S85 PolarHBondContact O-N 2.76Å
84	M	36	Very low	35.8	Very low	198 Å²	198	138.6 Å²	138.6	98%	0.975	78%	0.777	S	S	*	*			trans	-89	102.6	179.1	-80.8	-173.7	159.7	0	0	110.3
85	S	31.5	Very low	35.2	Very low	117 Å²	117	141.8 Å²	141.8	82%	0.818	79%	0.788	S	S	*	*			trans	-99.9	135	160.2	-166.7	0	0	0	0	110.1	S83	S83-S85 PolarHBondContact O-N 2.76Å
86	R	42	Very low	34.7	Very low	221 Å²	221	140.4 Å²	140.4	83%	0.834	79%	0.788	S	S	*	*			trans	-109.6	138.8	169.7	-80.1	175.9	158.2	143.6	-7.8	108
87	N	30.1	Very low	34.3	Very low	162 Å²	162	141.8 Å²	141.8	87%	0.866	80%	0.795	S	S	*	*			trans	120.5	80.3	159.3	-59.9	-8	0	0	0	115.5
88	S	30	Very low	34.4	Very low	127 Å²	127	142.2 Å²	142.2	89%	0.888	81%	0.806	S	S	*	*			trans	-154.3	152.8	142.1	45.6	0	0	0	0	108.3
89	S	32.9	Very low	35.1	Very low	108 Å²	108	141.4 Å²	141.4	76%	0.755	80%	0.799	S	S	*	*			trans	-143	131.4	-165.2	56.5	0	0	0	0	112.9
90	I	38.7	Very low	35.7	Very low	171 Å²	171	135.2 Å²	135.2	88%	0.877	77%	0.766	S	S	*	*	S	Bend	trans	51.5	86.2	156.8	-66.3	175.4	0	0	0	114.6
91	A	30.7	Very low	37.2	Very low	104 Å²	104	134 Å²	134	86%	0.86	76%	0.755	S	S	*	*			trans	-175.1	55.1	150.5	0	0	0	0	0	110.7
92	S	31.7	Very low	38.7	Very low	95 Å²	95	130.4 Å²	130.4	66%	0.664	73%	0.731	S	S	*	*			trans	-145.7	35	-174.1	68.2	0	0	0	0	114.7
93	D	31.6	Very low	40.4	Very low	161 Å²	161	122 Å²	122	86%	0.861	70%	0.698	S	S	*	*			trans	-100.1	58.1	170	-73.6	-53.2	0	0	0	110.6
94	I	32.6	Very low	42.6	Very low	164 Å²	164	117.6 Å²	117.6	84%	0.841	66%	0.664	S	S	*	*			trans	-124.8	53.2	159.7	-45.2	-178.1	0	0	0	108.2	G96	I94-G96 PolarHBondContact O-N 2.96Å; I94-G96 VanDerWaalsContact O-N 3.14Å
95	H	33.3	Very low	44.7	Very low	176 Å²	176	110 Å²	110	82%	0.815	63%	0.632	S	S	*	*			trans	-77.4	78.9	152.5	-71	-40.6	0	0	0	107.9
96	G	34.3	Very low	47	Very low	60 Å²	60	108.5 Å²	108.5	62%	0.619	61%	0.613	S	S	*	*			trans	-65.6	132.1	145.2	0	0	0	0	0	106.8	I94 D98	I94-G96 PolarHBondContact O-N 2.96Å; I94-G96 VanDerWaalsContact O-N 3.14Å; G96-D98 PolarHBondContact O-N 3.36Å
97	D	35.3	Very low	48.9	Very low	149 Å²	149	101.8 Å²	101.8	80%	0.797	60%	0.596	S	S	*	*			trans	-54.5	131.4	172.5	-70.5	-56.1	0	0	0	108.8	M99	D97-M99 HydrophobicContact CB-CG 4.48Å; D97-M99 PolarHBondContact O-N 3.42Å
98	D	45.8	Very low	51.4	Low	125 Å²	125	94.7 Å²	94.7	67%	0.668	56%	0.558	S	S	*	*			trans	-76.9	63.2	178.6	-145.1	-4.3	0	0	0	109.4	G96 I100	G96-D98 PolarHBondContact O-N 3.36Å; D98-I100 PolarHBondContact O-N 2.71Å
99	M	49.8	Very low	54	Low	126 Å²	126	91.1 Å²	91.1	62%	0.621	54%	0.536	S	S	*	.			trans	-52.4	131	168.9	-71.3	177.2	53	0	0	107.7	D97 V101	D97-M99 HydrophobicContact CB-CG 4.48Å; D97-M99 PolarHBondContact O-N 3.42Å; M99-V101 PolarHBondContact O-N 3.01Å
100	I	48.5	Very low	56.5	Low	41 Å²	41	89.3 Å²	89.3	21%	0.21	52%	0.523	C	S	.	.			trans	-69.7	86.6	169.9	-56.2	176.7	0	0	0	109.2	L70 D98 K186 F187 M190	L70-I100 HydrophobicContact CB-CD1 4.1Å; L70-I100 HydrophobicContact CD2-CD1 4.11Å; L70-I100 WeakPolarHBondContact O-CD1 3.4Å; L70-I100 VanDerWaalsContact O-CG1 3.25Å; L70-I100 WeakPolarHBondContact O-CG1 3.49Å; D98-I100 PolarHBondContact O-N 2.71Å; I100-K186 HydrophobicContact CG2-CD 4.2Å; I100-F187 HydrophobicContact CB-CE1 4.4Å; I100-F187 HydrophobicContact CD1-CE1 4.47Å; I100-F187 HydrophobicContact CG2-CE1 3.72Å; I100-F187 HydrophobicContact CG2-CZ 4.38Å; I100-M190 HydrophobicContact CD1-CE 3.53Å; I100-M190 HydrophobicContact CD1-SD 3.75Å
101	V	62.7	Low	58.8	Low	63 Å²	63	83.7 Å²	83.7	38%	0.382	50%	0.495	S	S	.	.			trans	-61.6	142.7	158.4	-175.7	0	0	0	0	107.2	M99 A105 Q106 K186	M99-V101 PolarHBondContact O-N 3.01Å; V101-A105 HydrophobicContact CG1-CB 3.59Å; V101-Q106 HydrophobicContact CB-CB 4.39Å; V101-Q106 HydrophobicContact CG1-CB 4.25Å; V101-K186 PolarHBondContact O-NZ 3.27Å
102	T	68.3	Low	61.5	Low	45 Å²	45	84.4 Å²	84.4	28%	0.276	48%	0.475	S	S	.	.			trans	-57.1	140.6	172.9	58.8	0	0	0	0	108.5	F104 A105 Q106 A183	T102-F104 PolarHBondContact O-N 3.17Å; T102-F104 VanDerWaalsContact O-N 3.11Å; T102-A105 PolarHBondContact O-N 3.29Å; T102-A105 WeakPolarHBondContact OG1-CB 3.48Å; T102-Q106 PolarHBondContact O-N 2.77Å; T102-A183 HydrophobicContact CG2-CB 3.79Å
103	P	74.5	Confident	64.2	Low	34 Å²	34	83.6 Å²	83.6	22%	0.221	47%	0.467	C	S	.	.	H	α-helix	trans	-56.8	-35.6	-172.5	20.7	-31.1	0	0	0	112.1	Q106 V107 M182 K186	P103-Q106 WeakPolarHBondContact O-CB 3.42Å; P103-Q106 PolarHBondContact O-N 2.76Å; P103-V107 WeakPolarHBondContact O-CG2 3.4Å; P103-V107 PolarHBondContact O-N 2.69Å; P103-M182 HydrophobicContact CG-CB 3.91Å; P103-K186 HydrophobicContact CB-CD 4.13Å; P103-K186 HydrophobicContact CG-CB 4.31Å; P103-K186 HydrophobicContact CG-CD 4.08Å
104	F	75.5	Confident	67.1	Low	23 Å²	23	80 Å²	80	10%	0.101	45%	0.45	C	S	.	.	H	α-helix	trans	-58.5	-51.3	172.2	-179.9	-100.3	0	0	0	113.6	T102 Q106 V107 L108 L170 Q174 V179 M182	T102-F104 PolarHBondContact O-N 3.17Å; T102-F104 VanDerWaalsContact O-N 3.11Å; F104-Q106 VanDerWaalsContact C-N 3.29Å; F104-Q106 PolarHBondContact O-N 3.35Å; F104-V107 PolarHBondContact O-N 2.8Å; F104-L108 HydrophobicContact CD1-CD1 3.98Å; F104-L108 HydrophobicContact CE1-CD1 3.32Å; F104-L108 HydrophobicContact CE1-CG 4.12Å; F104-L108 HydrophobicContact CZ-CD1 3.62Å; F104-L108 HydrophobicContact CZ-CG 4.12Å; F104-L108 PolarHBondContact O-N 2.79Å; F104-L170 VanDerWaalsContact CZ-O 3.31Å; F104-L170 WeakPolarHBondContact CZ-O 2.97Å; F104-Q174 HydrophobicContact CD1-CG 4.34Å; F104-Q174 HydrophobicContact CE1-CB 4.33Å; F104-Q174 HydrophobicContact CE1-CG 3.61Å; F104-Q174 HydrophobicContact CZ-CB 4.34Å; F104-Q174 HydrophobicContact CZ-CG 4.06Å; F104-V179 HydrophobicContact CB-CG1 4.1Å; F104-V179 HydrophobicContact CB-CG2 4.08Å; F104-V179 HydrophobicContact CD1-CB 4.49Å; F104-V179 HydrophobicContact CD1-CG1 4.14Å; F104-V179 HydrophobicContact CD1-CG2 3.5Å; F104-V179 VanDerWaalsContact CD1-CG2 3.5Å; F104-V179 HydrophobicContact CD2-CG2 4.16Å; F104-V179 HydrophobicContact CE1-CG2 3.91Å; F104-V179 HydrophobicContact CG-CG1 4.38Å; F104-V179 HydrophobicContact CG-CG2 3.63Å; F104-V179 HydrophobicContact CZ-CG2 4.4Å; F104-M182 HydrophobicContact CB-SD 4.09Å; F104-M182 HydrophobicContact CD2-SD 4.38Å
105	A	78.2	Confident	69.9	Low	37 Å²	37	75.3 Å²	75.3	31%	0.306	42%	0.422	S	S	.	.	H	α-helix	trans	-70.8	-25.2	178.9	0	0	0	0	0	112.7	V101 T102 A109	V101-A105 HydrophobicContact CG1-CB 3.59Å; T102-A105 PolarHBondContact O-N 3.29Å; T102-A105 WeakPolarHBondContact OG1-CB 3.48Å; A105-A109 VanDerWaalsContact O-CB 3.32Å; A105-A109 WeakPolarHBondContact O-CB 3.47Å; A105-A109 PolarHBondContact O-N 3.21Å
106	Q	80	Confident	72.5	Confident	87 Å²	87	70.6 Å²	70.6	41%	0.407	40%	0.403	S	S	.	.	H	α-helix	trans	-66.8	-46	169.7	-170.9	172.4	9.6	0	0	110.6	V101 T102 P103 F104 A109 S110	V101-Q106 HydrophobicContact CB-CB 4.39Å; V101-Q106 HydrophobicContact CG1-CB 4.25Å; T102-Q106 PolarHBondContact O-N 2.77Å; P103-Q106 WeakPolarHBondContact O-CB 3.42Å; P103-Q106 PolarHBondContact O-N 2.76Å; F104-Q106 VanDerWaalsContact C-N 3.29Å; F104-Q106 PolarHBondContact O-N 3.35Å; Q106-A109 PolarHBondContact O-N 2.75Å; Q106-S110 PolarHBondContact O-N 3.24Å; Q106-S110 PolarHBondContact O-OG 2.79Å
107	V	82.4	Confident	75.2	Confident	80 Å²	80	72.2 Å²	72.2	49%	0.485	40%	0.397	S	S	.	.	H	α-helix	trans	-62.4	-47.4	174.8	168.6	0	0	0	0	111.5	P103 F104 A109 S110 L111	P103-V107 WeakPolarHBondContact O-CG2 3.4Å; P103-V107 PolarHBondContact O-N 2.69Å; F104-V107 PolarHBondContact O-N 2.8Å; V107-A109 PolarHBondContact O-N 3.02Å; V107-S110 PolarHBondContact O-N 2.8Å; V107-S110 VanDerWaalsContact O-N 3.16Å; V107-L111 HydrophobicContact CG1-CD1 3.74Å; V107-L111 HydrophobicContact CG1-CG 4.17Å; V107-L111 WeakPolarHBondContact O-CG 3.44Å; V107-L111 PolarHBondContact O-N 3.34Å
108	L	82.9	Confident	77.8	Confident	13 Å²	13	68.2 Å²	68.2	7%	0.068	37%	0.373	C	S	.	.	H	α-helix	trans	-59	-43.3	175.7	-77.3	178.8	0	0	0	112.4	F104 S110 L111 R112 L167 L170 E171	F104-L108 HydrophobicContact CD1-CD1 3.98Å; F104-L108 HydrophobicContact CE1-CD1 3.32Å; F104-L108 HydrophobicContact CE1-CG 4.12Å; F104-L108 HydrophobicContact CZ-CD1 3.62Å; F104-L108 HydrophobicContact CZ-CG 4.12Å; F104-L108 PolarHBondContact O-N 2.79Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-S110 PolarHBondContact O-N 3.39Å; L108-L111 PolarHBondContact O-N 3.4Å; L108-R112 VanDerWaalsContact O-CB 3.29Å; L108-R112 WeakPolarHBondContact O-CB 3.22Å; L108-R112 WeakPolarHBondContact O-CD 3.36Å; L108-R112 WeakPolarHBondContact O-CG 3.32Å; L108-R112 PolarHBondContact O-N 2.81Å; L108-L167 HydrophobicContact CD2-CD2 4.13Å; L108-L170 HydrophobicContact CD2-CB 4.01Å; L108-L170 HydrophobicContact CD2-CD1 4.47Å; L108-E171 HydrophobicContact CD1-CG 3.71Å; L108-E171 HydrophobicContact CD2-CG 3.85Å; L108-E171 HydrophobicContact CG-CG 4.46Å
109	A	83.9	Confident	79.7	Confident	52 Å²	52	62.3 Å²	62.3	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-40.1	176.3	0	0	0	0	0	112	A105 Q106 V107 T113	A105-A109 VanDerWaalsContact O-CB 3.32Å; A105-A109 WeakPolarHBondContact O-CB 3.47Å; A105-A109 PolarHBondContact O-N 3.21Å; Q106-A109 PolarHBondContact O-N 2.75Å; V107-A109 PolarHBondContact O-N 3.02Å; A109-T113 WeakPolarHBondContact O-CB 3.36Å; A109-T113 PolarHBondContact O-N 3.42Å; A109-T113 VanDerWaalsContact O-N 3.11Å; A109-T113 PolarHBondContact O-OG1 2.99Å
110	S	85.8	Confident	81.4	Confident	69 Å²	69	58.9 Å²	58.9	48%	0.483	33%	0.333	S	S	.	.	H	α-helix	trans	-65.9	-46.9	173.6	-66.3	0	0	0	0	112.6	Q106 V107 L108 T113 V114	Q106-S110 PolarHBondContact O-N 3.24Å; Q106-S110 PolarHBondContact O-OG 2.79Å; V107-S110 PolarHBondContact O-N 2.8Å; V107-S110 VanDerWaalsContact O-N 3.16Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-S110 PolarHBondContact O-N 3.39Å; S110-T113 CarbonylContact O-C 3.58Å; S110-T113 WeakPolarHBondContact O-CA 3.31Å; S110-T113 WeakPolarHBondContact O-CB 3.2Å; S110-T113 PolarHBondContact O-N 2.96Å; S110-T113 VanDerWaalsContact O-N 3.11Å; S110-V114 WeakPolarHBondContact O-CG2 3.42Å; S110-V114 PolarHBondContact O-N 3.22Å
111	L	88.2	Confident	83.2	Confident	54 Å²	54	63.4 Å²	63.4	28%	0.283	36%	0.357	S	S	.	.	H	α-helix	trans	-64.8	-44.4	179.9	-70.5	173.8	0	0	0	112	V107 L108 T113 V114 R115 L167 L170	V107-L111 HydrophobicContact CG1-CD1 3.74Å; V107-L111 HydrophobicContact CG1-CG 4.17Å; V107-L111 WeakPolarHBondContact O-CG 3.44Å; V107-L111 PolarHBondContact O-N 3.34Å; L108-L111 PolarHBondContact O-N 3.4Å; L111-T113 PolarHBondContact O-N 3.35Å; L111-V114 PolarHBondContact O-N 3.05Å; L111-V114 VanDerWaalsContact O-N 3.12Å; L111-R115 WeakPolarHBondContact O-CB 3.08Å; L111-R115 PolarHBondContact O-N 3.21Å; L111-L167 HydrophobicContact CB-CD2 3.71Å; L111-L167 HydrophobicContact CD1-CD2 4.48Å; L111-L170 HydrophobicContact CD1-CD1 3.76Å
112	R	87.3	Confident	84.2	Confident	119 Å²	119	60.6 Å²	60.6	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-58.3	-34.1	171.6	-70.5	165.5	167.9	-162	-6.8	112	L108 N116 L167 E171	L108-R112 VanDerWaalsContact O-CB 3.29Å; L108-R112 WeakPolarHBondContact O-CB 3.22Å; L108-R112 WeakPolarHBondContact O-CD 3.36Å; L108-R112 WeakPolarHBondContact O-CG 3.32Å; L108-R112 PolarHBondContact O-N 2.81Å; R112-N116 WeakPolarHBondContact O-CB 3.45Å; R112-N116 VanDerWaalsContact O-CG 3.23Å; R112-N116 PolarHBondContact O-N 3.17Å; R112-N116 PolarHBondContact O-ND2 2.68Å; R112-N116 VanDerWaalsContact O-ND2 3.14Å; R112-L167 HydrophobicContact CG-CD1 4.33Å; R112-L167 HydrophobicContact CG-CD2 4.07Å; R112-E171 IonicContact CZ-OE1 2.74Å; R112-E171 IonicContact CZ-OE2 2.67Å; R112-E171 IonicContact NE-OE1 3.55Å; R112-E171 PolarHBondContact NE-OE1 3.05Å; R112-E171 IonicContact NH2-OE1 2.8Å; R112-E171 PolarHBondContact NH2-OE1 3.26Å; R112-E171 IonicContact NH2-OE2 3.12Å; R112-E171 PolarHBondContact NH2-OE2 2.9Å
113	T	88.4	Confident	84.5	Confident	78 Å²	78	62.9 Å²	62.9	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-71.5	-42.5	174.4	-57.5	0	0	0	0	111.8	A109 S110 L111 N116 N117	A109-T113 WeakPolarHBondContact O-CB 3.36Å; A109-T113 PolarHBondContact O-N 3.42Å; A109-T113 VanDerWaalsContact O-N 3.11Å; A109-T113 PolarHBondContact O-OG1 2.99Å; S110-T113 CarbonylContact O-C 3.58Å; S110-T113 WeakPolarHBondContact O-CA 3.31Å; S110-T113 WeakPolarHBondContact O-CB 3.2Å; S110-T113 PolarHBondContact O-N 2.96Å; S110-T113 VanDerWaalsContact O-N 3.11Å; L111-T113 PolarHBondContact O-N 3.35Å; T113-N116 PolarHBondContact O-N 2.7Å; T113-N117 WeakPolarHBondContact O-CB 3.44Å; T113-N117 VanDerWaalsContact O-CG 3.3Å; T113-N117 PolarHBondContact O-N 3.43Å; T113-N117 PolarHBondContact O-ND2 3.47Å
114	V	90.9	Very high	84.1	Confident	85 Å²	85	63.1 Å²	63.1	52%	0.515	35%	0.35	S	S	.	.	H	α-helix	trans	-59.3	-49.2	173.4	170.5	0	0	0	0	110.6	S110 L111 N116 N117 F118	S110-V114 WeakPolarHBondContact O-CG2 3.42Å; S110-V114 PolarHBondContact O-N 3.22Å; L111-V114 PolarHBondContact O-N 3.05Å; L111-V114 VanDerWaalsContact O-N 3.12Å; V114-N116 PolarHBondContact O-N 3.3Å; V114-N117 PolarHBondContact O-N 2.94Å; V114-F118 WeakPolarHBondContact O-CB 3.05Å; V114-F118 PolarHBondContact O-N 3.04Å
115	R	91.6	Very high	83.2	Confident	65 Å²	65	66.7 Å²	66.7	25%	0.245	37%	0.367	C	S	.	.	H	α-helix	trans	-55.2	-47.9	175.9	-177.6	-83.1	-174.1	-175.1	-0.4	112.2	L111 N117 F118 G119 L160 L163 D164 L167	L111-R115 WeakPolarHBondContact O-CB 3.08Å; L111-R115 PolarHBondContact O-N 3.21Å; R115-N117 PolarHBondContact O-N 3.44Å; R115-F118 PolarHBondContact O-N 3.23Å; R115-G119 PolarHBondContact O-N 3.38Å; R115-L160 HydrophobicContact CG-CD1 3.92Å; R115-L163 HydrophobicContact CB-CD2 3.7Å; R115-L163 HydrophobicContact CB-CG 4.15Å; R115-L163 HydrophobicContact CG-CD2 3.94Å; R115-L163 HydrophobicContact CG-CG 4.15Å; R115-D164 WeakPolarHBondContact CG-OD1 3.19Å; R115-D164 IonicContact CZ-OD1 3.28Å; R115-D164 IonicContact CZ-OD2 2.69Å; R115-D164 IonicContact NE-OD1 3.19Å; R115-D164 PolarHBondContact NE-OD1 3.45Å; R115-D164 IonicContact NE-OD2 3.36Å; R115-D164 IonicContact NH2-OD1 2.66Å; R115-D164 PolarHBondContact NH2-OD1 3.17Å; R115-D164 IonicContact NH2-OD2 3.54Å; R115-D164 PolarHBondContact NH2-OD2 2.9Å; R115-L167 HydrophobicContact CB-CD1 3.98Å; R115-L167 HydrophobicContact CG-CD1 4.01Å
116	N	89.1	Confident	81.8	Confident	78 Å²	78	71.5 Å²	71.5	42%	0.417	38%	0.383	S	S	.	.	H	α-helix	trans	-66.6	-36.1	179.7	-74.2	-26.6	0	0	0	112.7	R112 T113 V114 A120	R112-N116 WeakPolarHBondContact O-CB 3.45Å; R112-N116 VanDerWaalsContact O-CG 3.23Å; R112-N116 PolarHBondContact O-N 3.17Å; R112-N116 PolarHBondContact O-ND2 2.68Å; R112-N116 VanDerWaalsContact O-ND2 3.14Å; T113-N116 PolarHBondContact O-N 2.7Å; V114-N116 PolarHBondContact O-N 3.3Å; N116-A120 PolarHBondContact O-N 2.95Å
117	N	90.6	Very high	80.3	Confident	94 Å²	94	73.1 Å²	73.1	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-69.2	-39.1	172.6	-70.5	-25.8	0	0	0	111.8	T113 V114 R115 A120 L121	T113-N117 WeakPolarHBondContact O-CB 3.44Å; T113-N117 VanDerWaalsContact O-CG 3.3Å; T113-N117 PolarHBondContact O-N 3.43Å; T113-N117 PolarHBondContact O-ND2 3.47Å; V114-N117 PolarHBondContact O-N 2.94Å; R115-N117 PolarHBondContact O-N 3.44Å; N117-A120 PolarHBondContact O-N 3.37Å; N117-L121 WeakPolarHBondContact O-CB 3.35Å; N117-L121 VanDerWaalsContact O-CG 3.28Å; N117-L121 WeakPolarHBondContact O-CG 3.33Å; N117-L121 PolarHBondContact O-N 3.37Å
118	F	89.7	Confident	78.6	Confident	64 Å²	64	80.9 Å²	80.9	28%	0.281	42%	0.415	S	S	.	.	H	α-helix	trans	-61.4	-52.7	177.3	-174.6	-99.7	0	0	0	111.3	V114 R115 A120 L121 T122 T159 L160	V114-F118 WeakPolarHBondContact O-CB 3.05Å; V114-F118 PolarHBondContact O-N 3.04Å; R115-F118 PolarHBondContact O-N 3.23Å; F118-A120 PolarHBondContact O-N 2.97Å; F118-A120 VanDerWaalsContact O-N 3.11Å; F118-L121 PolarHBondContact O-N 2.89Å; F118-T122 HydrophobicContact CD1-CG2 4.22Å; F118-T122 HydrophobicContact CD2-CG2 4.41Å; F118-T122 HydrophobicContact CE1-CG2 3.9Å; F118-T122 HydrophobicContact CE2-CG2 4.11Å; F118-T122 HydrophobicContact CG-CG2 4.47Å; F118-T122 HydrophobicContact CZ-CG2 3.84Å; F118-T122 PolarHBondContact O-N 3.49Å; F118-T122 PolarHBondContact O-OG1 3.08Å; F118-T122 VanDerWaalsContact O-OG1 3.06Å; F118-T159 WeakPolarHBondContact CZ-OG1 3.42Å; F118-L160 HydrophobicContact CD1-CB 4.34Å; F118-L160 HydrophobicContact CD1-CD1 4.28Å; F118-L160 HydrophobicContact CE1-CB 4.14Å
119	G	85.9	Confident	76.6	Confident	1 Å²	1	84 Å²	84	1%	0.01	44%	0.443	C	S	.	.	H	α-helix	trans	-63.4	-16.3	176.8	0	0	0	0	0	115.2	R115 L124 Q125	R115-G119 PolarHBondContact O-N 3.38Å; G119-L124 PolarHBondContact O-N 2.95Å; G119-Q125 WeakPolarHBondContact O-CG 3.27Å; G119-Q125 PolarHBondContact O-N 3.37Å
120	A	85.7	Confident	74.6	Confident	55 Å²	55	85.1 Å²	85.1	46%	0.455	45%	0.448	S	S	.	.	H	α-helix	trans	-87	-35.5	169.9	0	0	0	0	0	112.5	N116 N117 F118	N116-A120 PolarHBondContact O-N 2.95Å; N117-A120 PolarHBondContact O-N 3.37Å; F118-A120 PolarHBondContact O-N 2.97Å; F118-A120 VanDerWaalsContact O-N 3.11Å
121	L	86.4	Confident	72.5	Confident	136 Å²	136	89 Å²	89	71%	0.712	46%	0.463	S	S	*	.	H	α-helix	trans	-72.6	-31.1	176.8	-72.9	166.4	0	0	0	112.8	N117 F118 N123	N117-L121 WeakPolarHBondContact O-CB 3.35Å; N117-L121 VanDerWaalsContact O-CG 3.28Å; N117-L121 WeakPolarHBondContact O-CG 3.33Å; N117-L121 PolarHBondContact O-N 3.37Å; F118-L121 PolarHBondContact O-N 2.89Å; L121-N123 VanDerWaalsContact C-N 3.33Å
122	T	83.1	Confident	70.2	Confident	3 Å²	3	95.7 Å²	95.7	2%	0.018	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	5.5	178	58.9	0	0	0	0	113.8	F118 L124 Q153 A156	F118-T122 HydrophobicContact CD1-CG2 4.22Å; F118-T122 HydrophobicContact CD2-CG2 4.41Å; F118-T122 HydrophobicContact CE1-CG2 3.9Å; F118-T122 HydrophobicContact CE2-CG2 4.11Å; F118-T122 HydrophobicContact CG-CG2 4.47Å; F118-T122 HydrophobicContact CZ-CG2 3.84Å; F118-T122 PolarHBondContact O-N 3.49Å; F118-T122 PolarHBondContact O-OG1 3.08Å; F118-T122 VanDerWaalsContact O-OG1 3.06Å; T122-L124 PolarHBondContact O-N 3.06Å; T122-L124 WeakPolarHBondContact OG1-CD1 3.15Å; T122-Q153 PolarHBondContact O-NE2 2.72Å; T122-A156 HydrophobicContact CG2-CB 3.75Å
123	N	75.2	Confident	68	Low	93 Å²	93	101.5 Å²	101.5	50%	0.497	51%	0.512	S	S	.	.	S	Bend	trans	56.7	0.4	-174.4	-58.5	-61.1	0	0	0	116.6	L121 Q125 Q126	L121-N123 VanDerWaalsContact C-N 3.33Å; N123-Q125 PolarHBondContact O-N 2.94Å; N123-Q126 PolarHBondContact O-N 3.49Å
124	L	65.2	Low	65.3	Low	40 Å²	40	103.3 Å²	103.3	21%	0.209	53%	0.528	C	S	.	.	H	α-helix	trans	-56.1	-24.4	-176.9	-74.2	169.7	0	0	0	114.2	G119 T122 A156 L160	G119-L124 PolarHBondContact O-N 2.95Å; T122-L124 PolarHBondContact O-N 3.06Å; T122-L124 WeakPolarHBondContact OG1-CD1 3.15Å; L124-A156 HydrophobicContact CD1-CB 4.41Å; L124-A156 WeakPolarHBondContact CD1-O 3.34Å; L124-L160 HydrophobicContact CB-CD2 4.34Å; L124-L160 HydrophobicContact CD1-CB 4.36Å; L124-L160 HydrophobicContact CD1-CD2 3.75Å
125	Q	56.4	Low	63.4	Low	98 Å²	98	104.9 Å²	104.9	46%	0.458	54%	0.54	S	S	.	.	H	α-helix	trans	-73	-19.4	173.9	-71.9	-177.8	11	0	0	114.9	G119 N123	G119-Q125 WeakPolarHBondContact O-CG 3.27Å; G119-Q125 PolarHBondContact O-N 3.37Å; N123-Q125 PolarHBondContact O-N 2.94Å
126	Q	49.7	Very low	60.8	Low	137 Å²	137	110.6 Å²	110.6	64%	0.64	57%	0.571	S	S	*	*	H	α-helix	trans	-75.2	-36	-176.5	-85.2	-175.9	-11.1	0	0	113.5	N123 R128 A129 S130	N123-Q126 PolarHBondContact O-N 3.49Å; Q126-R128 PolarHBondContact O-N 2.95Å; Q126-A129 PolarHBondContact O-N 3.13Å; Q126-S130 PolarHBondContact O-N 2.73Å; Q126-S130 VanDerWaalsContact O-N 3.14Å
127	D	48.4	Very low	58.3	Low	121 Å²	121	112.1 Å²	112.1	65%	0.647	59%	0.587	S	S	*	*	H	α-helix	trans	-73.1	-25.6	-176.7	-80.1	-43.4	0	0	0	114.3	A129 S130	D127-A129 PolarHBondContact O-N 3.17Å; D127-S130 PolarHBondContact O-OG 3.45Å
128	R	46.6	Very low	55.7	Low	243 Å²	243	114.5 Å²	114.5	92%	0.917	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-15.3	169.1	-81.9	-171.9	172.5	178.8	1	113.5	Q126	Q126-R128 PolarHBondContact O-N 2.95Å
129	A	40.9	Very low	53.5	Low	80 Å²	80	117.1 Å²	117.1	66%	0.661	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-18.2	-178.5	0	0	0	0	0	114.3	Q126 D127 N131	Q126-A129 PolarHBondContact O-N 3.13Å; D127-A129 PolarHBondContact O-N 3.17Å; A129-N131 VanDerWaalsContact C-N 3.28Å; A129-N131 PolarHBondContact O-N 3.21Å
130	S	41.1	Very low	51.6	Low	75 Å²	75	122.2 Å²	122.2	52%	0.524	66%	0.656	S	S	.	*			trans	-72.7	-13.6	-171.6	63.6	0	0	0	0	114.8	Q126 D127 K132	Q126-S130 PolarHBondContact O-N 2.73Å; Q126-S130 VanDerWaalsContact O-N 3.14Å; D127-S130 PolarHBondContact O-OG 3.45Å; S130-K132 PolarHBondContact O-N 3.13Å
131	N	41.9	Very low	49.7	Very low	149 Å²	149	125.2 Å²	125.2	80%	0.797	67%	0.671	S	S	*	*			trans	-77.5	31.3	-166.7	-128.3	-18	0	0	0	115.9	A129	A129-N131 VanDerWaalsContact C-N 3.28Å; A129-N131 PolarHBondContact O-N 3.21Å
132	K	41	Very low	47.7	Very low	195 Å²	195	126.6 Å²	126.6	85%	0.848	68%	0.677	S	S	*	*			trans	-117.9	89	170.8	-76.9	-174.6	177.3	175.9	0	110.8	S130	S130-K132 PolarHBondContact O-N 3.13Å
133	R	39.6	Very low	45.7	Very low	242 Å²	242	132.4 Å²	132.4	91%	0.913	71%	0.713	S	S	*	*			trans	-53.2	146.2	179.1	-79	-177.6	172	174.4	-1.2	113.4
134	S	33.2	Very low	44.3	Very low	116 Å²	116	137 Å²	137	81%	0.811	73%	0.728	S	S	*	*			trans	-142.9	135.8	148.2	-74.3	0	0	0	0	108
135	P	49.3	Very low	43.4	Very low	118 Å²	118	139 Å²	139	77%	0.766	74%	0.742	S	S	*	*			trans	-87.2	164.1	-168.2	34.4	-36.6	0	0	0	114.2
136	M	37.9	Very low	43.5	Very low	184 Å²	184	138.3 Å²	138.3	91%	0.906	75%	0.745	S	S	*	*			trans	67.4	107.4	174.6	-59.6	163.5	56.1	0	0	114.5
137	C	35.5	Very low	43.7	Very low	110 Å²	110	140.7 Å²	140.7	74%	0.743	75%	0.754	S	S	*	*				-168.8	139	70.6	-173.4	0	0	0	0	112.2
138	N	36.8	Very low	44.3	Very low	144 Å²	144	139.9 Å²	139.9	77%	0.77	75%	0.753	S	S	*	*			trans	49.8	134.2	168.5	-67.7	-4.8	0	0	0	120
139	P	44.4	Very low	45.6	Very low	120 Å²	120	133.2 Å²	133.2	78%	0.779	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-74.2	142.7	171.2	32	-34.2	0	0	0	111.7
140	P	46	Very low	47.2	Very low	108 Å²	108	134.4 Å²	134.4	70%	0.701	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-69.3	161.1	161.8	32.1	-34.2	0	0	0	110.6
141	P	44.2	Very low	48.9	Very low	118 Å²	118	133.5 Å²	133.5	77%	0.766	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-65.7	141.6	173.6	29.3	-34.7	0	0	0	110.6	T143	P141-T143 PolarHBondContact O-N 3.12Å
142	I	45.6	Very low	50.9	Low	164 Å²	164	132.5 Å²	132.5	84%	0.841	71%	0.708	S	S	*	*			trans	-70.3	94.3	175.6	-56.9	170.8	0	0	0	108.6	K144	I142-K144 PolarHBondContact O-N 3.11Å
143	T	41.7	Very low	53	Low	126 Å²	126	126.3 Å²	126.3	77%	0.773	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-59.8	126.1	152.9	31	0	0	0	0	107.6	P141 T145	P141-T143 PolarHBondContact O-N 3.12Å; T143-T145 PolarHBondContact O-N 3.11Å
144	K	44.6	Very low	55.1	Low	189 Å²	189	120.9 Å²	120.9	82%	0.822	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-65.1	117.3	172	-62.1	-179.9	178.2	-174.6	0	107.5	I142 T146	I142-K144 PolarHBondContact O-N 3.11Å; K144-T146 PolarHBondContact O-N 3.22Å
145	T	47.3	Very low	57.7	Low	81 Å²	81	120.1 Å²	120.1	50%	0.497	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-55.6	122.6	160.3	41.9	0	0	0	0	107.1	T143 E149 E150	T143-T145 PolarHBondContact O-N 3.11Å; T145-E149 WeakPolarHBondContact CA-OE2 3.41Å; T145-E150 WeakPolarHBondContact CB-OE1 3.47Å; T145-E150 PolarHBondContact OG1-OE1 3.41Å
146	T	57.3	Low	59.5	Low	85 Å²	85	114.8 Å²	114.8	52%	0.521	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-74.1	143.6	171.8	28.8	0	0	0	0	108.7	K144 T148 E149	K144-T146 PolarHBondContact O-N 3.22Å; T146-T148 PolarHBondContact O-N 3.39Å; T146-T148 PolarHBondContact OG1-OG1 3.38Å; T146-E149 VanDerWaalsContact O-CB 3.23Å; T146-E149 WeakPolarHBondContact O-CB 3.39Å; T146-E149 PolarHBondContact O-N 2.96Å
147	F	54.7	Low	61.7	Low	187 Å²	187	108.1 Å²	108.1	82%	0.82	59%	0.586	S	S	*	*	H	α-helix	trans	-52.1	-23.7	-178.8	-145.8	-99.7	0	0	0	113.7	A151	F147-A151 PolarHBondContact O-N 3.32Å
148	T	61.1	Low	64.2	Low	104 Å²	104	106.8 Å²	106.8	64%	0.638	57%	0.569	S	S	*	*	H	α-helix	trans	-71	-25.1	174.1	49.4	0	0	0	0	114.7	T146 Y152	T146-T148 PolarHBondContact O-N 3.39Å; T146-T148 PolarHBondContact OG1-OG1 3.38Å; T148-Y152 VanDerWaalsContact O-CB 3.3Å; T148-Y152 WeakPolarHBondContact O-CB 3.44Å; T148-Y152 PolarHBondContact O-N 3.26Å
149	E	73.3	Confident	66.7	Low	102 Å²	102	102.1 Å²	102.1	48%	0.477	55%	0.546	S	S	.	.	H	α-helix	trans	-81.5	-40.1	-177.4	-166.8	168.4	-160.6	0	0	111	T145 T146 Y152 Q153	T145-E149 WeakPolarHBondContact CA-OE2 3.41Å; T146-E149 VanDerWaalsContact O-CB 3.23Å; T146-E149 WeakPolarHBondContact O-CB 3.39Å; T146-E149 PolarHBondContact O-N 2.96Å; E149-Y152 PolarHBondContact O-N 3.33Å; E149-Q153 WeakPolarHBondContact O-CB 3.33Å; E149-Q153 PolarHBondContact O-N 3.02Å
150	E	73.9	Confident	68.8	Low	105 Å²	105	97.4 Å²	97.4	49%	0.491	51%	0.514	S	S	.	.	H	α-helix	trans	-66.5	-40.9	171.2	-71.4	160.2	-154.7	0	0	111.1	T145 Q153 K154	T145-E150 WeakPolarHBondContact CB-OE1 3.47Å; T145-E150 PolarHBondContact OG1-OE1 3.41Å; E150-Q153 PolarHBondContact O-N 3.22Å; E150-K154 WeakPolarHBondContact O-CB 3.35Å; E150-K154 PolarHBondContact O-N 3.06Å
151	A	77.9	Confident	70.7	Confident	57 Å²	57	98.4 Å²	98.4	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-39.5	172.3	0	0	0	0	0	112.8	F147 L155	F147-A151 PolarHBondContact O-N 3.32Å; A151-L155 WeakPolarHBondContact O-CB 3.38Å; A151-L155 PolarHBondContact O-N 3.01Å
152	Y	84.4	Confident	72.7	Confident	128 Å²	128	98.8 Å²	98.8	50%	0.502	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-46	173.6	172.4	-95.2	0	0	0	111.8	T148 E149 K154 L155 A156	T148-Y152 VanDerWaalsContact O-CB 3.3Å; T148-Y152 WeakPolarHBondContact O-CB 3.44Å; T148-Y152 PolarHBondContact O-N 3.26Å; E149-Y152 PolarHBondContact O-N 3.33Å; Y152-K154 VanDerWaalsContact C-N 3.33Å; Y152-K154 PolarHBondContact O-N 3.14Å; Y152-L155 PolarHBondContact O-N 3.47Å; Y152-A156 VanDerWaalsContact O-CB 3.24Å; Y152-A156 WeakPolarHBondContact O-CB 3.28Å; Y152-A156 PolarHBondContact O-N 2.81Å
153	Q	85.3	Confident	74.7	Confident	65 Å²	65	93 Å²	93	30%	0.304	47%	0.472	S	S	.	.	H	α-helix	trans	-66.4	-36.6	-179.5	-158.9	65.8	30.2	0	0	112	T122 E149 E150 T157	T122-Q153 PolarHBondContact O-NE2 2.72Å; E149-Q153 WeakPolarHBondContact O-CB 3.33Å; E149-Q153 PolarHBondContact O-N 3.02Å; E150-Q153 PolarHBondContact O-N 3.22Å; Q153-T157 PolarHBondContact O-N 3.15Å; Q153-T157 VanDerWaalsContact O-N 3.13Å; Q153-T157 PolarHBondContact O-OG1 3.26Å
154	K	83.5	Confident	76.9	Confident	127 Å²	127	89.7 Å²	89.7	55%	0.552	45%	0.449	S	S	*	.	H	α-helix	trans	-60.8	-56.2	172.5	-178.7	-180	165.2	178.4	0	110.9	E150 Y152 A156 T157 E158	E150-K154 WeakPolarHBondContact O-CB 3.35Å; E150-K154 PolarHBondContact O-N 3.06Å; Y152-K154 VanDerWaalsContact C-N 3.33Å; Y152-K154 PolarHBondContact O-N 3.14Å; K154-A156 VanDerWaalsContact C-N 3.27Å; K154-A156 PolarHBondContact O-N 2.79Å; K154-T157 WeakPolarHBondContact O-CA 3.32Å; K154-T157 WeakPolarHBondContact O-CB 3.4Å; K154-T157 PolarHBondContact O-N 3.05Å; K154-E158 WeakPolarHBondContact CE-OE1 3.16Å; K154-E158 VanDerWaalsContact CE-OE2 3.27Å; K154-E158 WeakPolarHBondContact CE-OE2 3.47Å; K154-E158 HydrophobicContact CG-CG 4.47Å; K154-E158 IonicContact NZ-OE1 3.06Å; K154-E158 PolarHBondContact NZ-OE1 3.2Å; K154-E158 PolarHBondContact O-N 3.16Å
155	L	86.8	Confident	78.8	Confident	101 Å²	101	88.3 Å²	88.3	53%	0.529	44%	0.439	S	S	.	.	H	α-helix	trans	-58.7	-38.4	179.8	-179.3	64.2	0	0	0	112.4	A151 Y152 T157 T159	A151-L155 WeakPolarHBondContact O-CB 3.38Å; A151-L155 PolarHBondContact O-N 3.01Å; Y152-L155 PolarHBondContact O-N 3.47Å; L155-T157 PolarHBondContact O-N 3.12Å; L155-T159 HydrophobicContact CD1-CG2 4.12Å; L155-T159 WeakPolarHBondContact O-CB 3.48Å; L155-T159 WeakPolarHBondContact O-CG2 3.34Å; L155-T159 PolarHBondContact O-N 3.4Å; L155-T159 PolarHBondContact O-OG1 3.29Å
156	A	87.4	Confident	80.5	Confident	5 Å²	5	87.1 Å²	87.1	4%	0.041	43%	0.433	C	S	.	.	H	α-helix	trans	-66.5	-24.1	175.3	0	0	0	0	0	113.7	T122 L124 Y152 K154 L160	T122-A156 HydrophobicContact CG2-CB 3.75Å; L124-A156 HydrophobicContact CD1-CB 4.41Å; L124-A156 WeakPolarHBondContact CD1-O 3.34Å; Y152-A156 VanDerWaalsContact O-CB 3.24Å; Y152-A156 WeakPolarHBondContact O-CB 3.28Å; Y152-A156 PolarHBondContact O-N 2.81Å; K154-A156 VanDerWaalsContact C-N 3.27Å; K154-A156 PolarHBondContact O-N 2.79Å; A156-L160 WeakPolarHBondContact O-CB 3.48Å
157	T	84.8	Confident	81.8	Confident	45 Å²	45	83.7 Å²	83.7	28%	0.276	41%	0.411	S	S	.	.	H	α-helix	trans	-82.3	-51.2	175.3	-52	0	0	0	0	110	Q153 K154 L155 T159 L160 E161	Q153-T157 PolarHBondContact O-N 3.15Å; Q153-T157 VanDerWaalsContact O-N 3.13Å; Q153-T157 PolarHBondContact O-OG1 3.26Å; K154-T157 WeakPolarHBondContact O-CA 3.32Å; K154-T157 WeakPolarHBondContact O-CB 3.4Å; K154-T157 PolarHBondContact O-N 3.05Å; L155-T157 PolarHBondContact O-N 3.12Å; T157-T159 VanDerWaalsContact C-N 3.34Å; T157-T159 PolarHBondContact O-N 2.96Å; T157-L160 WeakPolarHBondContact O-CB 3.33Å; T157-L160 PolarHBondContact O-N 2.79Å; T157-E161 PolarHBondContact O-N 2.82Å
158	E	87.7	Confident	83.1	Confident	82 Å²	82	79 Å²	79	38%	0.383	40%	0.395	S	S	.	.	H	α-helix	trans	-55.1	-47.7	178	-68.2	170.8	139.1	0	0	111.2	K154 L160 E161 E162	K154-E158 WeakPolarHBondContact CE-OE1 3.16Å; K154-E158 VanDerWaalsContact CE-OE2 3.27Å; K154-E158 WeakPolarHBondContact CE-OE2 3.47Å; K154-E158 HydrophobicContact CG-CG 4.47Å; K154-E158 IonicContact NZ-OE1 3.06Å; K154-E158 PolarHBondContact NZ-OE1 3.2Å; K154-E158 PolarHBondContact O-N 3.16Å; E158-L160 VanDerWaalsContact C-N 3.3Å; E158-L160 PolarHBondContact O-N 3.37Å; E158-E161 PolarHBondContact O-N 3.35Å; E158-E162 PolarHBondContact O-N 3.23Å
159	T	88.1	Confident	83.6	Confident	46 Å²	46	77.2 Å²	77.2	28%	0.282	38%	0.379	S	S	.	.	H	α-helix	trans	-70.1	-19	177.4	52.5	0	0	0	0	114.7	F118 L155 T157 L163	F118-T159 WeakPolarHBondContact CZ-OG1 3.42Å; L155-T159 HydrophobicContact CD1-CG2 4.12Å; L155-T159 WeakPolarHBondContact O-CB 3.48Å; L155-T159 WeakPolarHBondContact O-CG2 3.34Å; L155-T159 PolarHBondContact O-N 3.4Å; L155-T159 PolarHBondContact O-OG1 3.29Å; T157-T159 VanDerWaalsContact C-N 3.34Å; T157-T159 PolarHBondContact O-N 2.96Å; T159-L163 VanDerWaalsContact O-CB 3.3Å; T159-L163 WeakPolarHBondContact O-CB 3.37Å; T159-L163 PolarHBondContact O-N 3.1Å
160	L	89.4	Confident	83.8	Confident	21 Å²	21	75.4 Å²	75.4	11%	0.11	37%	0.373	C	S	.	.	H	α-helix	trans	-80.9	-36.4	170.8	179	59.1	0	0	0	111.2	R115 F118 L124 A156 T157 E158 L163 D164	R115-L160 HydrophobicContact CG-CD1 3.92Å; F118-L160 HydrophobicContact CD1-CB 4.34Å; F118-L160 HydrophobicContact CD1-CD1 4.28Å; F118-L160 HydrophobicContact CE1-CB 4.14Å; L124-L160 HydrophobicContact CB-CD2 4.34Å; L124-L160 HydrophobicContact CD1-CB 4.36Å; L124-L160 HydrophobicContact CD1-CD2 3.75Å; A156-L160 WeakPolarHBondContact O-CB 3.48Å; T157-L160 WeakPolarHBondContact O-CB 3.33Å; T157-L160 PolarHBondContact O-N 2.79Å; E158-L160 VanDerWaalsContact C-N 3.3Å; E158-L160 PolarHBondContact O-N 3.37Å; L160-L163 PolarHBondContact O-N 2.59Å; L160-D164 WeakPolarHBondContact O-CB 3.37Å; L160-D164 PolarHBondContact O-N 2.92Å
161	E	85.6	Confident	84	Confident	128 Å²	128	73.6 Å²	73.6	60%	0.598	36%	0.364	S	S	*	.	H	α-helix	trans	-69.3	-42.3	176.3	-69.9	177	167.4	0	0	111.2	T157 E158 L163 D164 W165	T157-E161 PolarHBondContact O-N 2.82Å; E158-E161 PolarHBondContact O-N 3.35Å; E161-L163 PolarHBondContact O-N 3.18Å; E161-D164 PolarHBondContact O-N 2.8Å; E161-W165 WeakPolarHBondContact O-CB 3.41Å; E161-W165 PolarHBondContact O-N 3.23Å
162	E	85.6	Confident	83.7	Confident	126 Å²	126	75.2 Å²	75.2	59%	0.589	37%	0.369	S	S	*	.	H	α-helix	trans	-57.9	-44	169.1	-74.4	-178.2	162.2	0	0	112.5	E158 W165 C166	E158-E162 PolarHBondContact O-N 3.23Å; E162-W165 PolarHBondContact O-N 3.22Å; E162-C166 WeakPolarHBondContact O-CB 3.21Å; E162-C166 PolarHBondContact O-N 3.01Å; E162-C166 PolarHBondContact O-SG 2.91Å
163	L	88.3	Confident	82.6	Confident	44 Å²	44	74.7 Å²	74.7	23%	0.23	37%	0.374	C	S	.	.	H	α-helix	trans	-68.7	-36.9	179.5	-179.5	58.7	0	0	0	112.8	R115 T159 L160 E161 L167	R115-L163 HydrophobicContact CB-CD2 3.7Å; R115-L163 HydrophobicContact CB-CG 4.15Å; R115-L163 HydrophobicContact CG-CD2 3.94Å; R115-L163 HydrophobicContact CG-CG 4.15Å; T159-L163 VanDerWaalsContact O-CB 3.3Å; T159-L163 WeakPolarHBondContact O-CB 3.37Å; T159-L163 PolarHBondContact O-N 3.1Å; L160-L163 PolarHBondContact O-N 2.59Å; E161-L163 PolarHBondContact O-N 3.18Å; L163-L167 WeakPolarHBondContact O-CB 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.26Å; L163-L167 PolarHBondContact O-N 3.46Å
164	D	88.1	Confident	81.6	Confident	56 Å²	56	76.5 Å²	76.5	30%	0.299	38%	0.382	S	S	.	.	H	α-helix	trans	-68	-41.1	173.5	-82.5	-11.8	0	0	0	111.4	R115 L160 E161 L167 D168	R115-D164 WeakPolarHBondContact CG-OD1 3.19Å; R115-D164 IonicContact CZ-OD1 3.28Å; R115-D164 IonicContact CZ-OD2 2.69Å; R115-D164 IonicContact NE-OD1 3.19Å; R115-D164 PolarHBondContact NE-OD1 3.45Å; R115-D164 IonicContact NE-OD2 3.36Å; R115-D164 IonicContact NH2-OD1 2.66Å; R115-D164 PolarHBondContact NH2-OD1 3.17Å; R115-D164 IonicContact NH2-OD2 3.54Å; R115-D164 PolarHBondContact NH2-OD2 2.9Å; L160-D164 WeakPolarHBondContact O-CB 3.37Å; L160-D164 PolarHBondContact O-N 2.92Å; E161-D164 PolarHBondContact O-N 2.8Å; D164-L167 PolarHBondContact O-N 3.39Å; D164-D168 PolarHBondContact O-N 3.18Å
165	W	84.6	Confident	80.6	Confident	160 Å²	160	74.4 Å²	74.4	61%	0.606	38%	0.38	S	S	*	.	H	α-helix	trans	-62.6	-45.1	173.3	-178.8	84.3	0	0	0	111.6	E161 E162 L167 D168 Q169	E161-W165 WeakPolarHBondContact O-CB 3.41Å; E161-W165 PolarHBondContact O-N 3.23Å; E162-W165 PolarHBondContact O-N 3.22Å; W165-L167 VanDerWaalsContact C-N 3.29Å; W165-L167 PolarHBondContact O-N 3.26Å; W165-D168 PolarHBondContact O-N 3.48Å; W165-Q169 HydrophobicContact CD2-CG 3.81Å; W165-Q169 HydrophobicContact CE3-CG 4.13Å; W165-Q169 HydrophobicContact CG-CG 4.4Å; W165-Q169 HydrophobicContact CH2-CG 3.96Å; W165-Q169 HydrophobicContact CZ2-CG 3.61Å; W165-Q169 HydrophobicContact CZ3-CG 4.2Å; W165-Q169 WeakPolarHBondContact O-CG 3.39Å; W165-Q169 PolarHBondContact O-N 3.44Å
166	C	81.8	Confident	79.4	Confident	55 Å²	55	80.8 Å²	80.8	37%	0.372	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-34.2	177.1	-71.5	0	0	0	0	112.8	E162 L170	E162-C166 WeakPolarHBondContact O-CB 3.21Å; E162-C166 PolarHBondContact O-N 3.01Å; E162-C166 PolarHBondContact O-SG 2.91Å; C166-L170 WeakPolarHBondContact O-CB 3.44Å; C166-L170 VanDerWaalsContact O-CG 3.22Å; C166-L170 WeakPolarHBondContact O-CG 3.38Å; C166-L170 PolarHBondContact O-N 3.02Å
167	L	84.7	Confident	78.3	Confident	13 Å²	13	86.7 Å²	86.7	7%	0.068	42%	0.423	C	S	.	.	H	α-helix	trans	-67.6	-44.5	173.4	-82.1	170.5	0	0	0	112	L108 L111 R112 R115 L163 D164 W165 L170 E171	L108-L167 HydrophobicContact CD2-CD2 4.13Å; L111-L167 HydrophobicContact CB-CD2 3.71Å; L111-L167 HydrophobicContact CD1-CD2 4.48Å; R112-L167 HydrophobicContact CG-CD1 4.33Å; R112-L167 HydrophobicContact CG-CD2 4.07Å; R115-L167 HydrophobicContact CB-CD1 3.98Å; R115-L167 HydrophobicContact CG-CD1 4.01Å; L163-L167 WeakPolarHBondContact O-CB 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.26Å; L163-L167 PolarHBondContact O-N 3.46Å; D164-L167 PolarHBondContact O-N 3.39Å; W165-L167 VanDerWaalsContact C-N 3.29Å; W165-L167 PolarHBondContact O-N 3.26Å; L167-L170 PolarHBondContact O-N 2.71Å; L167-E171 WeakPolarHBondContact O-CG 3.44Å; L167-E171 PolarHBondContact O-N 3.46Å
168	D	81.8	Confident	77.7	Confident	90 Å²	90	86.2 Å²	86.2	48%	0.481	42%	0.422	S	S	.	.	H	α-helix	trans	-61.8	-47.3	175.2	-175.8	77.2	0	0	0	111.4	D164 W165 L170 E171 T172	D164-D168 PolarHBondContact O-N 3.18Å; W165-D168 PolarHBondContact O-N 3.48Å; D168-L170 PolarHBondContact O-N 2.94Å; D168-E171 CarbonylContact O-C 3.54Å; D168-E171 PolarHBondContact O-N 3.44Å; D168-T172 PolarHBondContact O-N 3.3Å; D168-T172 PolarHBondContact O-OG1 3.21Å
169	Q	73.3	Confident	77	Confident	65 Å²	65	83 Å²	83	30%	0.304	41%	0.408	S	S	.	.	H	α-helix	trans	-61.5	-40.9	176.8	-67.2	-52.3	-76.9	0	0	112.8	W165 E171 T172 L173	W165-Q169 HydrophobicContact CD2-CG 3.81Å; W165-Q169 HydrophobicContact CE3-CG 4.13Å; W165-Q169 HydrophobicContact CG-CG 4.4Å; W165-Q169 HydrophobicContact CH2-CG 3.96Å; W165-Q169 HydrophobicContact CZ2-CG 3.61Å; W165-Q169 HydrophobicContact CZ3-CG 4.2Å; W165-Q169 WeakPolarHBondContact O-CG 3.39Å; W165-Q169 PolarHBondContact O-N 3.44Å; Q169-E171 VanDerWaalsContact C-N 3.3Å; Q169-E171 PolarHBondContact O-N 2.81Å; Q169-T172 WeakPolarHBondContact CA-OG1 3.4Å; Q169-T172 PolarHBondContact O-N 3.17Å; Q169-T172 PolarHBondContact O-OG1 3.48Å; Q169-L173 WeakPolarHBondContact O-CB 3.33Å; Q169-L173 WeakPolarHBondContact O-CD1 3.48Å; Q169-L173 WeakPolarHBondContact O-CG 3.33Å; Q169-L173 PolarHBondContact O-N 3.4Å
170	L	77.1	Confident	76.3	Confident	65 Å²	65	84 Å²	84	34%	0.34	42%	0.417	S	S	.	.	H	α-helix	trans	-60.9	-39.9	172.8	-77.5	168.6	0	0	0	111.7	F104 L108 L111 C166 L167 D168	F104-L170 VanDerWaalsContact CZ-O 3.31Å; F104-L170 WeakPolarHBondContact CZ-O 2.97Å; L108-L170 HydrophobicContact CD2-CB 4.01Å; L108-L170 HydrophobicContact CD2-CD1 4.47Å; L111-L170 HydrophobicContact CD1-CD1 3.76Å; C166-L170 WeakPolarHBondContact O-CB 3.44Å; C166-L170 VanDerWaalsContact O-CG 3.22Å; C166-L170 WeakPolarHBondContact O-CG 3.38Å; C166-L170 PolarHBondContact O-N 3.02Å; L167-L170 PolarHBondContact O-N 2.71Å; D168-L170 PolarHBondContact O-N 2.94Å
171	E	77.2	Confident	75.6	Confident	67 Å²	67	87.2 Å²	87.2	31%	0.313	43%	0.431	S	S	.	.	H	α-helix	trans	-75.3	-30.2	-180	-70.2	-176.8	-150.1	0	0	113.3	L108 R112 L167 D168 Q169 Q174	L108-E171 HydrophobicContact CD1-CG 3.71Å; L108-E171 HydrophobicContact CD2-CG 3.85Å; L108-E171 HydrophobicContact CG-CG 4.46Å; R112-E171 IonicContact CZ-OE1 2.74Å; R112-E171 IonicContact CZ-OE2 2.67Å; R112-E171 IonicContact NE-OE1 3.55Å; R112-E171 PolarHBondContact NE-OE1 3.05Å; R112-E171 IonicContact NH2-OE1 2.8Å; R112-E171 PolarHBondContact NH2-OE1 3.26Å; R112-E171 IonicContact NH2-OE2 3.12Å; R112-E171 PolarHBondContact NH2-OE2 2.9Å; L167-E171 WeakPolarHBondContact O-CG 3.44Å; L167-E171 PolarHBondContact O-N 3.46Å; D168-E171 CarbonylContact O-C 3.54Å; D168-E171 PolarHBondContact O-N 3.44Å; Q169-E171 VanDerWaalsContact C-N 3.3Å; Q169-E171 PolarHBondContact O-N 2.81Å; E171-Q174 WeakPolarHBondContact O-CB 3.23Å
172	T	71.3	Confident	74.9	Confident	91 Å²	91	85.5 Å²	85.5	56%	0.558	42%	0.424	S	S	*	.	H	α-helix	trans	-79.6	-31.7	173.1	55.1	0	0	0	0	113.1	D168 Q169 Q174	D168-T172 PolarHBondContact O-N 3.3Å; D168-T172 PolarHBondContact O-OG1 3.21Å; Q169-T172 WeakPolarHBondContact CA-OG1 3.4Å; Q169-T172 PolarHBondContact O-N 3.17Å; Q169-T172 PolarHBondContact O-OG1 3.48Å; T172-Q174 PolarHBondContact O-N 3.32Å
173	L	62.5	Low	74.4	Confident	117 Å²	117	79.8 Å²	79.8	61%	0.613	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	4.4	171.5	-72.8	168.7	0	0	0	113.5	Q169 T175	Q169-L173 WeakPolarHBondContact O-CB 3.33Å; Q169-L173 WeakPolarHBondContact O-CD1 3.48Å; Q169-L173 WeakPolarHBondContact O-CG 3.33Å; Q169-L173 PolarHBondContact O-N 3.4Å; L173-T175 PolarHBondContact O-N 2.92Å
174	Q	64.2	Low	73.8	Confident	103 Å²	103	79.6 Å²	79.6	48%	0.481	40%	0.401	S	S	.	.			trans	-73.9	61.8	-177.3	-156.4	-170.3	-8.5	0	0	113.7	F104 E171 T172 V179	F104-Q174 HydrophobicContact CD1-CG 4.34Å; F104-Q174 HydrophobicContact CE1-CB 4.33Å; F104-Q174 HydrophobicContact CE1-CG 3.61Å; F104-Q174 HydrophobicContact CZ-CB 4.34Å; F104-Q174 HydrophobicContact CZ-CG 4.06Å; E171-Q174 WeakPolarHBondContact O-CB 3.23Å; T172-Q174 PolarHBondContact O-N 3.32Å; Q174-V179 HydrophobicContact CG-CG2 3.52Å
175	T	62.5	Low	73.2	Confident	82 Å²	82	79.9 Å²	79.9	50%	0.503	40%	0.403	S	S	.	.			trans	-59.2	142.6	167.4	78.9	0	0	0	0	109.8	L173 H177 S178	L173-T175 PolarHBondContact O-N 2.92Å; T175-H177 PolarHBondContact O-N 2.82Å; T175-S178 PolarHBondContact O-N 2.91Å; T175-S178 PolarHBondContact O-OG 3.05Å; T175-S178 PolarHBondContact OG1-N 2.83Å; T175-S178 PolarHBondContact OG1-OG 2.83Å
176	R	61.2	Low	72.7	Confident	235 Å²	235	74.7 Å²	74.7	89%	0.887	38%	0.384	S	S	*	.	H	α-helix	trans	-61.5	-29.4	-179.9	-68.7	-175	-179.5	178.6	2.3	112	S180	R176-S180 WeakPolarHBondContact O-CB 3.37Å; R176-S180 PolarHBondContact O-N 3.05Å; R176-S180 PolarHBondContact O-OG 3.44Å; R176-S180 VanDerWaalsContact O-OG 3.1Å
177	H	64.1	Low	72.5	Confident	129 Å²	129	75.7 Å²	75.7	60%	0.597	38%	0.382	S	S	*	.	H	α-helix	trans	-66.6	-59.5	178	-162.5	-86	0	0	0	111.2	T175 V179 S180 E181	T175-H177 PolarHBondContact O-N 2.82Å; H177-V179 PolarHBondContact O-N 2.89Å; H177-S180 CarbonylContact O-C 3.53Å; H177-S180 PolarHBondContact O-N 3.48Å; H177-S180 PolarHBondContact O-OG 3.5Å; H177-E181 IonicContact CE1-OE2 3.39Å; H177-E181 PolarHBondContact CE1-OE2 2.96Å; H177-E181 VanDerWaalsContact CE1-OE2 3.31Å; H177-E181 IonicContact ND1-OE2 3.7Å; H177-E181 PolarHBondContact ND1-OE2 3.24Å; H177-E181 WeakPolarHBondContact O-CB 3.49Å; H177-E181 PolarHBondContact O-N 2.75Å
178	S	72.9	Confident	72.3	Confident	36 Å²	36	77.8 Å²	77.8	25%	0.252	39%	0.391	S	S	.	.	H	α-helix	trans	-56.3	-46.7	-171.7	64.5	0	0	0	0	112.8	T175 E181 M182	T175-S178 PolarHBondContact O-N 2.91Å; T175-S178 PolarHBondContact O-OG 3.05Å; T175-S178 PolarHBondContact OG1-N 2.83Å; T175-S178 PolarHBondContact OG1-OG 2.83Å; S178-E181 PolarHBondContact O-N 3.14Å; S178-M182 VanDerWaalsContact O-CG 3.31Å; S178-M182 WeakPolarHBondContact O-CG 3.47Å; S178-M182 PolarHBondContact O-N 2.72Å
179	V	73.6	Confident	72.2	Confident	13 Å²	13	83 Å²	83	8%	0.079	40%	0.404	C	S	.	.	H	α-helix	trans	-68.8	-37.7	178.2	177.2	0	0	0	0	112.4	F104 Q174 H177 E181 A183	F104-V179 HydrophobicContact CB-CG1 4.1Å; F104-V179 HydrophobicContact CB-CG2 4.08Å; F104-V179 HydrophobicContact CD1-CB 4.49Å; F104-V179 HydrophobicContact CD1-CG1 4.14Å; F104-V179 HydrophobicContact CD1-CG2 3.5Å; F104-V179 VanDerWaalsContact CD1-CG2 3.5Å; F104-V179 HydrophobicContact CD2-CG2 4.16Å; F104-V179 HydrophobicContact CE1-CG2 3.91Å; F104-V179 HydrophobicContact CG-CG1 4.38Å; F104-V179 HydrophobicContact CG-CG2 3.63Å; F104-V179 HydrophobicContact CZ-CG2 4.4Å; Q174-V179 HydrophobicContact CG-CG2 3.52Å; H177-V179 PolarHBondContact O-N 2.89Å; V179-E181 VanDerWaalsContact C-N 3.3Å; V179-A183 WeakPolarHBondContact O-CB 3.36Å; V179-A183 PolarHBondContact O-N 3.44Å; V179-A183 VanDerWaalsContact O-N 3.08Å
180	S	72.3	Confident	72.3	Confident	67 Å²	67	82 Å²	82	47%	0.469	40%	0.4	S	S	.	.	H	α-helix	trans	-65.8	-36.3	175.1	77.8	0	0	0	0	111.5	R176 H177 A183 S184	R176-S180 WeakPolarHBondContact O-CB 3.37Å; R176-S180 PolarHBondContact O-N 3.05Å; R176-S180 PolarHBondContact O-OG 3.44Å; R176-S180 VanDerWaalsContact O-OG 3.1Å; H177-S180 CarbonylContact O-C 3.53Å; H177-S180 PolarHBondContact O-N 3.48Å; H177-S180 PolarHBondContact O-OG 3.5Å; S180-A183 PolarHBondContact O-N 3.39Å; S180-S184 VanDerWaalsContact O-CB 3.3Å; S180-S184 WeakPolarHBondContact O-CB 3.34Å; S180-S184 PolarHBondContact O-N 3.39Å
181	E	75.1	Confident	72.5	Confident	90 Å²	90	80.4 Å²	80.4	42%	0.421	39%	0.391	S	S	.	.	H	α-helix	trans	-69.3	-50.2	178.6	177.7	165.8	-171.6	0	0	111.2	H177 S178 V179 A183 S184 N185	H177-E181 IonicContact CE1-OE2 3.39Å; H177-E181 PolarHBondContact CE1-OE2 2.96Å; H177-E181 VanDerWaalsContact CE1-OE2 3.31Å; H177-E181 IonicContact ND1-OE2 3.7Å; H177-E181 PolarHBondContact ND1-OE2 3.24Å; H177-E181 WeakPolarHBondContact O-CB 3.49Å; H177-E181 PolarHBondContact O-N 2.75Å; S178-E181 PolarHBondContact O-N 3.14Å; V179-E181 VanDerWaalsContact C-N 3.3Å; E181-A183 VanDerWaalsContact C-N 3.25Å; E181-A183 PolarHBondContact O-N 2.94Å; E181-S184 CarbonylContact O-C 3.58Å; E181-S184 PolarHBondContact O-N 3.27Å; E181-S184 PolarHBondContact O-OG 3.05Å; E181-N185 WeakPolarHBondContact CG-ND2 3.21Å; E181-N185 WeakPolarHBondContact O-CB 3.48Å; E181-N185 PolarHBondContact O-N 3.14Å; E181-N185 PolarHBondContact O-ND2 3.47Å
182	M	71.8	Confident	72.7	Confident	91 Å²	91	80.4 Å²	80.4	45%	0.448	39%	0.394	S	S	.	.	H	α-helix	trans	-55.1	-42.2	174.5	-67.3	178.9	-168.9	0	0	111.6	P103 F104 S178 K186	P103-M182 HydrophobicContact CG-CB 3.91Å; F104-M182 HydrophobicContact CB-SD 4.09Å; F104-M182 HydrophobicContact CD2-SD 4.38Å; S178-M182 VanDerWaalsContact O-CG 3.31Å; S178-M182 WeakPolarHBondContact O-CG 3.47Å; S178-M182 PolarHBondContact O-N 2.72Å; M182-K186 PolarHBondContact O-N 3.13Å
183	A	74.2	Confident	73.3	Confident	7 Å²	7	81.5 Å²	81.5	6%	0.058	39%	0.388	C	S	.	.	H	α-helix	trans	-65.5	-46.7	174.4	0	0	0	0	0	111.9	T102 V179 S180 E181 N185 K186 F187	T102-A183 HydrophobicContact CG2-CB 3.79Å; V179-A183 WeakPolarHBondContact O-CB 3.36Å; V179-A183 PolarHBondContact O-N 3.44Å; V179-A183 VanDerWaalsContact O-N 3.08Å; S180-A183 PolarHBondContact O-N 3.39Å; E181-A183 VanDerWaalsContact C-N 3.25Å; E181-A183 PolarHBondContact O-N 2.94Å; A183-N185 VanDerWaalsContact C-N 3.28Å; A183-N185 PolarHBondContact O-N 2.79Å; A183-K186 WeakPolarHBondContact O-CB 3.3Å; A183-K186 PolarHBondContact O-N 3.35Å; A183-F187 HydrophobicContact CB-CE2 4.05Å; A183-F187 WeakPolarHBondContact O-CD2 3.34Å; A183-F187 VanDerWaalsContact O-CG 3.3Å; A183-F187 WeakPolarHBondContact O-CG 3.35Å; A183-F187 PolarHBondContact O-N 3.26Å
184	S	75.7	Confident	74.2	Confident	39 Å²	39	77.2 Å²	77.2	27%	0.273	36%	0.364	S	S	.	.	H	α-helix	trans	-59.9	-38.3	177.9	85.9	0	0	0	0	111.8	S180 E181 F187 K188	S180-S184 VanDerWaalsContact O-CB 3.3Å; S180-S184 WeakPolarHBondContact O-CB 3.34Å; S180-S184 PolarHBondContact O-N 3.39Å; E181-S184 CarbonylContact O-C 3.58Å; E181-S184 PolarHBondContact O-N 3.27Å; E181-S184 PolarHBondContact O-OG 3.05Å; S184-F187 PolarHBondContact O-N 3.08Å; S184-K188 VanDerWaalsContact O-CB 3.29Å; S184-K188 WeakPolarHBondContact O-CB 3.5Å; S184-K188 WeakPolarHBondContact O-CG 3.32Å; S184-K188 PolarHBondContact O-N 3.13Å
185	N	76.1	Confident	75.2	Confident	62 Å²	62	72.5 Å²	72.5	33%	0.332	34%	0.343	S	S	.	.	H	α-helix	trans	-72.5	-35.8	178.7	-75.4	-31.8	0	0	0	111.7	E181 A183 R189	E181-N185 WeakPolarHBondContact CG-ND2 3.21Å; E181-N185 WeakPolarHBondContact O-CB 3.48Å; E181-N185 PolarHBondContact O-N 3.14Å; E181-N185 PolarHBondContact O-ND2 3.47Å; A183-N185 VanDerWaalsContact C-N 3.28Å; A183-N185 PolarHBondContact O-N 2.79Å; N185-R189 WeakPolarHBondContact O-CB 3.3Å; N185-R189 VanDerWaalsContact O-CG 3.3Å; N185-R189 WeakPolarHBondContact O-CG 3.38Å; N185-R189 PolarHBondContact O-N 3.37Å
186	K	74.6	Confident	76.2	Confident	52 Å²	52	72.3 Å²	72.3	23%	0.226	34%	0.341	C	S	.	.	H	α-helix	trans	-59.6	-49.8	167.2	-171.9	176.9	-179	178.9	0	110.3	I100 V101 P103 M182 A183 R189 M190	I100-K186 HydrophobicContact CG2-CD 4.2Å; V101-K186 PolarHBondContact O-NZ 3.27Å; P103-K186 HydrophobicContact CB-CD 4.13Å; P103-K186 HydrophobicContact CG-CB 4.31Å; P103-K186 HydrophobicContact CG-CD 4.08Å; M182-K186 PolarHBondContact O-N 3.13Å; A183-K186 WeakPolarHBondContact O-CB 3.3Å; A183-K186 PolarHBondContact O-N 3.35Å; K186-R189 PolarHBondContact O-N 2.77Å; K186-M190 HydrophobicContact CG-SD 4.21Å; K186-M190 VanDerWaalsContact O-CG 3.32Å; K186-M190 WeakPolarHBondContact O-CG 3.39Å; K186-M190 PolarHBondContact O-N 2.66Å
187	F	77.2	Confident	77.2	Confident	75 Å²	75	64.4 Å²	64.4	33%	0.329	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-42.8	179.1	-60.7	-45.6	0	0	0	113.4	L70 I100 A183 S184 R189 M190 L191	L70-F187 HydrophobicContact CD2-CD1 3.55Å; L70-F187 HydrophobicContact CD2-CE1 3.87Å; L70-F187 HydrophobicContact CD2-CG 4.47Å; I100-F187 HydrophobicContact CB-CE1 4.4Å; I100-F187 HydrophobicContact CD1-CE1 4.47Å; I100-F187 HydrophobicContact CG2-CE1 3.72Å; I100-F187 HydrophobicContact CG2-CZ 4.38Å; A183-F187 HydrophobicContact CB-CE2 4.05Å; A183-F187 WeakPolarHBondContact O-CD2 3.34Å; A183-F187 VanDerWaalsContact O-CG 3.3Å; A183-F187 WeakPolarHBondContact O-CG 3.35Å; A183-F187 PolarHBondContact O-N 3.26Å; S184-F187 PolarHBondContact O-N 3.08Å; F187-R189 PolarHBondContact O-N 3.38Å; F187-M190 PolarHBondContact O-N 3.19Å; F187-L191 WeakPolarHBondContact O-CB 3.24Å; F187-L191 PolarHBondContact O-N 3Å
188	K	79.3	Confident	78.1	Confident	58 Å²	58	61.1 Å²	61.1	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-60.7	-41.9	175.7	-76.6	169.9	172.9	178.3	0	111.3	S184 N192 L217 D218	S184-K188 VanDerWaalsContact O-CB 3.29Å; S184-K188 WeakPolarHBondContact O-CB 3.5Å; S184-K188 WeakPolarHBondContact O-CG 3.32Å; S184-K188 PolarHBondContact O-N 3.13Å; K188-N192 WeakPolarHBondContact O-CB 3.32Å; K188-N192 PolarHBondContact O-N 2.62Å; K188-N192 PolarHBondContact O-ND2 2.75Å; K188-L217 HydrophobicContact CB-CD2 3.88Å; K188-L217 HydrophobicContact CG-CD2 3.78Å; K188-D218 VanDerWaalsContact CE-OD2 3.25Å; K188-D218 WeakPolarHBondContact CE-OD2 3.35Å; K188-D218 IonicContact NZ-OD2 3.81Å; K188-D218 PolarHBondContact NZ-OD2 3.48Å
189	R	79.4	Confident	78.7	Confident	200 Å²	200	61 Å²	61	76%	0.755	30%	0.3	S	S	*	.	H	α-helix	trans	-66.9	-44.8	174.9	-73.7	177.8	-179.4	-173.6	2	112.3	N185 K186 F187 N192 R193	N185-R189 WeakPolarHBondContact O-CB 3.3Å; N185-R189 VanDerWaalsContact O-CG 3.3Å; N185-R189 WeakPolarHBondContact O-CG 3.38Å; N185-R189 PolarHBondContact O-N 3.37Å; K186-R189 PolarHBondContact O-N 2.77Å; F187-R189 PolarHBondContact O-N 3.38Å; R189-N192 PolarHBondContact O-N 2.67Å; R189-R193 PolarHBondContact O-N 3.42Å; R189-R193 VanDerWaalsContact O-N 3.12Å
190	M	77.1	Confident	79.4	Confident	43 Å²	43	67.4 Å²	67.4	21%	0.212	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-42	177.4	-70.3	-179.2	74	0	0	112.4	I100 K186 F187 R193 E194	I100-M190 HydrophobicContact CD1-CE 3.53Å; I100-M190 HydrophobicContact CD1-SD 3.75Å; K186-M190 HydrophobicContact CG-SD 4.21Å; K186-M190 VanDerWaalsContact O-CG 3.32Å; K186-M190 WeakPolarHBondContact O-CG 3.39Å; K186-M190 PolarHBondContact O-N 2.66Å; F187-M190 PolarHBondContact O-N 3.19Å; M190-R193 WeakPolarHBondContact O-CB 3.39Å; M190-R193 PolarHBondContact O-N 2.94Å; M190-E194 PolarHBondContact O-N 2.75Å
191	L	81.1	Confident	80	Confident	31 Å²	31	69.5 Å²	69.5	16%	0.162	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-45	175.7	-179	56.4	0	0	0	111.1	F69 F187 R193 E194 L195 I212 L217	F69-L191 HydrophobicContact CE1-CD1 4.44Å; F69-L191 HydrophobicContact CE2-CB 4.13Å; F69-L191 HydrophobicContact CE2-CD1 4.33Å; F69-L191 HydrophobicContact CZ-CD1 4.16Å; F187-L191 WeakPolarHBondContact O-CB 3.24Å; F187-L191 PolarHBondContact O-N 3Å; L191-R193 VanDerWaalsContact C-N 3.29Å; L191-R193 PolarHBondContact O-N 2.79Å; L191-E194 PolarHBondContact O-N 2.98Å; L191-L195 HydrophobicContact CD1-CD1 4.27Å; L191-L195 HydrophobicContact CD1-CD2 4.22Å; L191-L195 HydrophobicContact CD1-CG 3.97Å; L191-L195 HydrophobicContact CG-CD1 4Å; L191-L195 HydrophobicContact CG-CG 4.15Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 VanDerWaalsContact O-CG 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 3.01Å; L191-I212 HydrophobicContact CD2-CG2 4.42Å; L191-L217 HydrophobicContact CB-CD2 4.31Å; L191-L217 HydrophobicContact CD2-CD2 3.89Å; L191-L217 HydrophobicContact CD2-CG 4.07Å; L191-L217 HydrophobicContact CG-CD1 4.47Å; L191-L217 HydrophobicContact CG-CD2 4.31Å; L191-L217 HydrophobicContact CG-CG 4.48Å
192	N	81.6	Confident	80.5	Confident	68 Å²	68	67.6 Å²	67.6	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-54	-43.1	173.5	-86.8	-65.4	0	0	0	112.6	K188 R189 E194 L195 T196 L217	K188-N192 WeakPolarHBondContact O-CB 3.32Å; K188-N192 PolarHBondContact O-N 2.62Å; K188-N192 PolarHBondContact O-ND2 2.75Å; R189-N192 PolarHBondContact O-N 2.67Å; N192-E194 PolarHBondContact O-N 3.07Å; N192-L195 PolarHBondContact O-N 3.15Å; N192-T196 PolarHBondContact O-N 2.93Å; N192-T196 PolarHBondContact O-OG1 2.84Å; N192-L217 WeakPolarHBondContact ND2-CD1 3.43Å; N192-L217 WeakPolarHBondContact OD1-CD1 3.42Å
193	R	82.9	Confident	80.9	Confident	114 Å²	114	73.7 Å²	73.7	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-58.3	-46.5	178.2	-167.6	178.3	75.7	171.1	6.2	112.3	D74 R189 M190 L191 H197	D74-R193 IonicContact OD1-CZ 3.57Å; D74-R193 IonicContact OD1-NH1 3.55Å; D74-R193 PolarHBondContact OD1-NH1 3.4Å; D74-R193 IonicContact OD1-NH2 3.73Å; D74-R193 PolarHBondContact OD1-NH2 3.43Å; D74-R193 IonicContact OD2-NH1 2.7Å; R189-R193 PolarHBondContact O-N 3.42Å; R189-R193 VanDerWaalsContact O-N 3.12Å; M190-R193 WeakPolarHBondContact O-CB 3.39Å; M190-R193 PolarHBondContact O-N 2.94Å; L191-R193 VanDerWaalsContact C-N 3.29Å; L191-R193 PolarHBondContact O-N 2.79Å; R193-H197 PolarHBondContact O-N 3.4Å
194	E	82.2	Confident	81.3	Confident	27 Å²	27	76.9 Å²	76.9	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-68.8	-35.6	176.7	-65.8	-72.3	133.2	0	0	112.4	F69 M190 L191 N192 H197 L198	F69-E194 HydrophobicContact CB-CG 3.8Å; F69-E194 HydrophobicContact CG-CG 4.5Å; M190-E194 PolarHBondContact O-N 2.75Å; L191-E194 PolarHBondContact O-N 2.98Å; N192-E194 PolarHBondContact O-N 3.07Å; E194-H197 PolarHBondContact O-N 3.4Å; E194-L198 WeakPolarHBondContact O-CB 3.45Å; E194-L198 WeakPolarHBondContact O-CD1 3.4Å; E194-L198 WeakPolarHBondContact O-CG 3.42Å; E194-L198 PolarHBondContact O-N 2.84Å
195	L	84.8	Confident	81.7	Confident	4 Å²	4	75.5 Å²	75.5	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-68.4	-36.3	177.6	-69.7	-174.4	0	0	0	112.5	L191 N192 L198 S199 S209 I212 L217	L191-L195 HydrophobicContact CD1-CD1 4.27Å; L191-L195 HydrophobicContact CD1-CD2 4.22Å; L191-L195 HydrophobicContact CD1-CG 3.97Å; L191-L195 HydrophobicContact CG-CD1 4Å; L191-L195 HydrophobicContact CG-CG 4.15Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 VanDerWaalsContact O-CG 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 3.01Å; N192-L195 PolarHBondContact O-N 3.15Å; L195-L198 HydrophobicContact CD2-CD1 4.15Å; L195-L198 PolarHBondContact O-N 3.2Å; L195-S199 PolarHBondContact O-N 2.77Å; L195-S209 VanDerWaalsContact C-OG 3.31Å; L195-S209 WeakPolarHBondContact CB-OG 3.36Å; L195-S209 WeakPolarHBondContact O-CB 3.38Å; L195-S209 PolarHBondContact O-OG 2.86Å; L195-I212 HydrophobicContact CD1-CB 4.15Å; L195-I212 HydrophobicContact CD1-CG2 3.89Å; L195-I212 HydrophobicContact CD2-CB 3.92Å; L195-I212 HydrophobicContact CD2-CD1 4.04Å; L195-I212 HydrophobicContact CD2-CG2 3.94Å; L195-L217 HydrophobicContact CD1-CD1 3.79Å
196	T	83.4	Confident	82.2	Confident	77 Å²	77	74.8 Å²	74.8	47%	0.472	36%	0.357	S	S	.	.	H	α-helix	trans	-62.3	-50	171.6	-59.5	0	0	0	0	110.7	N192 L198 S199 E200	N192-T196 PolarHBondContact O-N 2.93Å; N192-T196 PolarHBondContact O-OG1 2.84Å; T196-L198 VanDerWaalsContact C-N 3.34Å; T196-L198 PolarHBondContact O-N 3.37Å; T196-S199 WeakPolarHBondContact O-CA 3.37Å; T196-S199 WeakPolarHBondContact O-CB 3.34Å; T196-S199 PolarHBondContact O-N 2.8Å; T196-E200 PolarHBondContact O-N 3.5Å; T196-E200 VanDerWaalsContact O-N 3.08Å
197	H	83.1	Confident	82.7	Confident	70 Å²	70	78.1 Å²	78.1	32%	0.324	37%	0.374	S	S	.	.	H	α-helix	trans	-58.5	-44.6	177	-176.8	-141.7	0	0	0	111.8	Y77 R193 E194 S199 E200 M201	Y77-H197 AromaticContact CE1-CE1 3.93Å; Y77-H197 PolarHBondContact OH-CE1 3.07Å; Y77-H197 VanDerWaalsContact OH-CE1 3.3Å; Y77-H197 PolarHBondContact OH-ND1 3.43Å; R193-H197 PolarHBondContact O-N 3.4Å; E194-H197 PolarHBondContact O-N 3.4Å; H197-S199 VanDerWaalsContact C-N 3.28Å; H197-S199 PolarHBondContact O-N 2.87Å; H197-E200 PolarHBondContact O-N 3.16Å; H197-M201 WeakPolarHBondContact O-CB 3.5Å; H197-M201 WeakPolarHBondContact O-CG 3.42Å; H197-M201 PolarHBondContact O-N 2.86Å
198	L	81.3	Confident	83.1	Confident	59 Å²	59	78.2 Å²	78.2	31%	0.309	38%	0.38	S	S	.	.	H	α-helix	trans	-60	-33.3	173.7	-81.2	163	0	0	0	113.5	E194 L195 T196 M201 G205	E194-L198 WeakPolarHBondContact O-CB 3.45Å; E194-L198 WeakPolarHBondContact O-CD1 3.4Å; E194-L198 WeakPolarHBondContact O-CG 3.42Å; E194-L198 PolarHBondContact O-N 2.84Å; L195-L198 HydrophobicContact CD2-CD1 4.15Å; L195-L198 PolarHBondContact O-N 3.2Å; T196-L198 VanDerWaalsContact C-N 3.34Å; T196-L198 PolarHBondContact O-N 3.37Å; L198-M201 HydrophobicContact CD2-CE 3.94Å; L198-G205 CarbonylContact O-C 3.57Å; L198-G205 VanDerWaalsContact O-C 3.23Å; L198-G205 WeakPolarHBondContact O-CA 3.35Å
199	S	86.8	Confident	83.4	Confident	34 Å²	34	76 Å²	76	24%	0.238	37%	0.372	C	S	.	.	H	α-helix	trans	-67.1	-50.4	175.3	172.9	0	0	0	0	111.7	L195 T196 H197 M201 S202 N206	L195-S199 PolarHBondContact O-N 2.77Å; T196-S199 WeakPolarHBondContact O-CA 3.37Å; T196-S199 WeakPolarHBondContact O-CB 3.34Å; T196-S199 PolarHBondContact O-N 2.8Å; H197-S199 VanDerWaalsContact C-N 3.28Å; H197-S199 PolarHBondContact O-N 2.87Å; S199-M201 VanDerWaalsContact C-N 3.28Å; S199-M201 PolarHBondContact O-N 3.33Å; S199-S202 PolarHBondContact O-N 3.01Å; S199-N206 PolarHBondContact OG-OD1 3.42Å
200	E	87.8	Confident	83.7	Confident	148 Å²	148	71.8 Å²	71.8	69%	0.692	36%	0.361	S	S	*	.	H	α-helix	trans	-61.7	-35.5	-179.7	-67.2	173.7	-176.3	0	0	112.5	T196 H197 S202	T196-E200 PolarHBondContact O-N 3.5Å; T196-E200 VanDerWaalsContact O-N 3.08Å; H197-E200 PolarHBondContact O-N 3.16Å; E200-S202 PolarHBondContact O-N 2.87Å
201	M	83.9	Confident	84.1	Confident	110 Å²	110	75.4 Å²	75.4	54%	0.542	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-31.4	-176.8	-77.4	158	48.1	0	0	114.8	H197 L198 S199	H197-M201 WeakPolarHBondContact O-CB 3.5Å; H197-M201 WeakPolarHBondContact O-CG 3.42Å; H197-M201 PolarHBondContact O-N 2.86Å; L198-M201 HydrophobicContact CD2-CE 3.94Å; S199-M201 VanDerWaalsContact C-N 3.28Å; S199-M201 PolarHBondContact O-N 3.33Å
202	S	85.8	Confident	84.3	Confident	50 Å²	50	76 Å²	76	35%	0.35	38%	0.378	S	S	.	.			trans	-169.6	156.2	175.9	62.4	0	0	0	0	113.6	S199 E200 S204 G205 N206	S199-S202 PolarHBondContact O-N 3.01Å; E200-S202 PolarHBondContact O-N 2.87Å; S202-S204 PolarHBondContact O-N 3.41Å; S202-S204 PolarHBondContact OG-OG 3.03Å; S202-S204 VanDerWaalsContact OG-OG 3.06Å; S202-G205 CarbonylContact O-C 3.6Å; S202-G205 WeakPolarHBondContact O-CA 3.36Å; S202-G205 PolarHBondContact O-N 2.92Å; S202-G205 PolarHBondContact OG-N 3.04Å; S202-N206 PolarHBondContact O-N 2.84Å
203	R	80.3	Confident	84.4	Confident	220 Å²	220	74.2 Å²	74.2	83%	0.83	37%	0.372	S	S	*	.	H	α-helix	trans	-57.2	-32.9	173.5	-173.9	172.6	-179.8	154.8	2.7	113.7	Q207	R203-Q207 PolarHBondContact O-N 3.12Å
204	S	83.6	Confident	84.4	Confident	74 Å²	74	72.2 Å²	72.2	52%	0.517	38%	0.375	S	S	.	.	H	α-helix	trans	-71.8	-37.2	171.1	38.4	0	0	0	0	112.6	S202 Q207 V208	S202-S204 PolarHBondContact O-N 3.41Å; S202-S204 PolarHBondContact OG-OG 3.03Å; S202-S204 VanDerWaalsContact OG-OG 3.06Å; S204-Q207 PolarHBondContact O-N 3.49Å; S204-V208 WeakPolarHBondContact O-CG2 3.35Å; S204-V208 PolarHBondContact O-N 2.88Å; S204-V208 VanDerWaalsContact O-N 3.07Å
205	G	83.1	Confident	84.6	Confident	9 Å²	9	74.4 Å²	74.4	9%	0.093	39%	0.39	C	S	.	.	H	α-helix	trans	-64.8	-38.8	174.4	0	0	0	0	0	112	L198 S202 V208 S209	L198-G205 CarbonylContact O-C 3.57Å; L198-G205 VanDerWaalsContact O-C 3.23Å; L198-G205 WeakPolarHBondContact O-CA 3.35Å; S202-G205 CarbonylContact O-C 3.6Å; S202-G205 WeakPolarHBondContact O-CA 3.36Å; S202-G205 PolarHBondContact O-N 2.92Å; S202-G205 PolarHBondContact OG-N 3.04Å; G205-V208 PolarHBondContact O-N 2.63Å; G205-S209 WeakPolarHBondContact O-CB 3.46Å; G205-S209 PolarHBondContact O-N 2.64Å
206	N	87.2	Confident	84.4	Confident	48 Å²	48	81.1 Å²	81.1	26%	0.257	42%	0.419	S	S	.	.	H	α-helix	trans	-60.4	-45.6	171.4	-175.6	60.9	0	0	0	112.4	S199 S202 V208 S209 E210	S199-N206 PolarHBondContact OG-OD1 3.42Å; S202-N206 PolarHBondContact O-N 2.84Å; N206-V208 VanDerWaalsContact C-N 3.31Å; N206-V208 PolarHBondContact O-N 2.99Å; N206-S209 WeakPolarHBondContact O-CB 3.45Å; N206-S209 PolarHBondContact O-N 2.81Å; N206-S209 VanDerWaalsContact O-N 3.13Å; N206-E210 VanDerWaalsContact ND2-CD 3.27Å; N206-E210 PolarHBondContact ND2-OE1 3.46Å; N206-E210 WeakPolarHBondContact O-CB 3.43Å; N206-E210 WeakPolarHBondContact O-CG 3.41Å; N206-E210 PolarHBondContact O-N 3.35Å
207	Q	85.6	Confident	84.1	Confident	122 Å²	122	78.1 Å²	78.1	57%	0.57	40%	0.401	S	S	*	.	H	α-helix	trans	-63.4	-36.5	177.3	-69.5	179	-42.5	0	0	112.8	R203 S204 F211	R203-Q207 PolarHBondContact O-N 3.12Å; S204-Q207 PolarHBondContact O-N 3.49Å; Q207-F211 WeakPolarHBondContact O-CB 3.36Å; Q207-F211 PolarHBondContact O-N 3.35Å; Q207-F211 VanDerWaalsContact O-N 3.11Å
208	V	85.3	Confident	83.3	Confident	76 Å²	76	80.4 Å²	80.4	46%	0.461	42%	0.415	S	S	.	.	H	α-helix	trans	-70.8	-36.4	173.6	172.1	0	0	0	0	111.2	S204 G205 N206 F211 I212	S204-V208 WeakPolarHBondContact O-CG2 3.35Å; S204-V208 PolarHBondContact O-N 2.88Å; S204-V208 VanDerWaalsContact O-N 3.07Å; G205-V208 PolarHBondContact O-N 2.63Å; N206-V208 VanDerWaalsContact C-N 3.31Å; N206-V208 PolarHBondContact O-N 2.99Å; V208-F211 PolarHBondContact O-N 2.96Å; V208-I212 HydrophobicContact CG1-CD1 3.7Å; V208-I212 HydrophobicContact CG1-CG1 4.38Å; V208-I212 VanDerWaalsContact O-CG1 3.28Å; V208-I212 WeakPolarHBondContact O-CG1 3.27Å; V208-I212 PolarHBondContact O-N 3.05Å
209	S	85.6	Confident	82.1	Confident	13 Å²	13	82.4 Å²	82.4	9%	0.091	42%	0.421	C	S	.	.	H	α-helix	trans	-65.6	-50.8	176.8	-179.1	0	0	0	0	111.8	L195 G205 N206 F211 I212 S213	L195-S209 VanDerWaalsContact C-OG 3.31Å; L195-S209 WeakPolarHBondContact CB-OG 3.36Å; L195-S209 WeakPolarHBondContact O-CB 3.38Å; L195-S209 PolarHBondContact O-OG 2.86Å; G205-S209 WeakPolarHBondContact O-CB 3.46Å; G205-S209 PolarHBondContact O-N 2.64Å; N206-S209 WeakPolarHBondContact O-CB 3.45Å; N206-S209 PolarHBondContact O-N 2.81Å; N206-S209 VanDerWaalsContact O-N 3.13Å; S209-F211 VanDerWaalsContact C-N 3.3Å; S209-F211 PolarHBondContact O-N 3.39Å; S209-I212 PolarHBondContact O-N 3.14Å; S209-S213 WeakPolarHBondContact O-CB 3.47Å; S209-S213 PolarHBondContact O-N 2.76Å
210	E	84.3	Confident	79.9	Confident	111 Å²	111	89.4 Å²	89.4	52%	0.519	45%	0.45	S	S	.	.	H	α-helix	trans	-54.6	-44.5	172.3	-73	170	174.6	0	0	111.4	N206 S214	N206-E210 VanDerWaalsContact ND2-CD 3.27Å; N206-E210 PolarHBondContact ND2-OE1 3.46Å; N206-E210 WeakPolarHBondContact O-CB 3.43Å; N206-E210 WeakPolarHBondContact O-CG 3.41Å; N206-E210 PolarHBondContact O-N 3.35Å; E210-S214 WeakPolarHBondContact O-CB 3.32Å; E210-S214 PolarHBondContact O-N 3.16Å; E210-S214 PolarHBondContact O-OG 2.85Å
211	F	86.1	Confident	77.9	Confident	119 Å²	119	87.5 Å²	87.5	52%	0.522	44%	0.441	S	S	.	.	H	α-helix	trans	-64.6	-48.7	177.4	173.9	-107.6	0	0	0	112.7	Q207 V208 S209 S214 T215 F216	Q207-F211 WeakPolarHBondContact O-CB 3.36Å; Q207-F211 PolarHBondContact O-N 3.35Å; Q207-F211 VanDerWaalsContact O-N 3.11Å; V208-F211 PolarHBondContact O-N 2.96Å; S209-F211 VanDerWaalsContact C-N 3.3Å; S209-F211 PolarHBondContact O-N 3.39Å; F211-S214 PolarHBondContact O-N 2.7Å; F211-S214 PolarHBondContact O-OG 3.34Å; F211-T215 WeakPolarHBondContact CE2-OG1 3.09Å; F211-T215 HydrophobicContact CZ-CG2 4.38Å; F211-T215 VanDerWaalsContact O-CB 3.23Å; F211-T215 WeakPolarHBondContact O-CB 3.41Å; F211-T215 PolarHBondContact O-N 3.29Å; F211-T215 VanDerWaalsContact O-N 3.08Å; F211-T215 PolarHBondContact O-OG1 3.46Å; F211-F216 HydrophobicContact CE1-CE2 4.34Å
212	I	85.8	Confident	75.4	Confident	42 Å²	42	87.9 Å²	87.9	22%	0.215	44%	0.441	C	S	.	.	H	α-helix	trans	-67.4	-40.5	-179.4	-63.1	166.8	0	0	0	110.4	L191 L195 V208 S209 S214 T215 F216	L191-I212 HydrophobicContact CD2-CG2 4.42Å; L195-I212 HydrophobicContact CD1-CB 4.15Å; L195-I212 HydrophobicContact CD1-CG2 3.89Å; L195-I212 HydrophobicContact CD2-CB 3.92Å; L195-I212 HydrophobicContact CD2-CD1 4.04Å; L195-I212 HydrophobicContact CD2-CG2 3.94Å; V208-I212 HydrophobicContact CG1-CD1 3.7Å; V208-I212 HydrophobicContact CG1-CG1 4.38Å; V208-I212 VanDerWaalsContact O-CG1 3.28Å; V208-I212 WeakPolarHBondContact O-CG1 3.27Å; V208-I212 PolarHBondContact O-N 3.05Å; S209-I212 PolarHBondContact O-N 3.14Å; I212-S214 VanDerWaalsContact C-N 3.35Å; I212-S214 PolarHBondContact O-N 3.19Å; I212-T215 PolarHBondContact O-N 3.47Å; I212-F216 HydrophobicContact CB-CD2 4.49Å; I212-F216 HydrophobicContact CG2-CB 4.3Å; I212-F216 HydrophobicContact CG2-CD2 4.06Å; I212-F216 PolarHBondContact O-N 3.38Å
213	S	84.2	Confident	73.2	Confident	32 Å²	32	89 Å²	89	22%	0.224	45%	0.446	C	S	.	.	H	α-helix	trans	-65	-34.3	177.6	-178	0	0	0	0	113	S209	S209-S213 WeakPolarHBondContact O-CB 3.47Å; S209-S213 PolarHBondContact O-N 2.76Å
214	S	83.1	Confident	70.8	Confident	71 Å²	71	85 Å²	85	50%	0.497	44%	0.437	S	S	.	.	H	α-helix	trans	-84.8	-11.8	176.1	53.9	0	0	0	0	114.9	E210 F211 I212	E210-S214 WeakPolarHBondContact O-CB 3.32Å; E210-S214 PolarHBondContact O-N 3.16Å; E210-S214 PolarHBondContact O-OG 2.85Å; F211-S214 PolarHBondContact O-N 2.7Å; F211-S214 PolarHBondContact O-OG 3.34Å; I212-S214 VanDerWaalsContact C-N 3.35Å; I212-S214 PolarHBondContact O-N 3.19Å
215	T	84.9	Confident	68.6	Low	74 Å²	74	85 Å²	85	45%	0.454	43%	0.43	S	S	.	.	H	α-helix	trans	-114.3	-33	-173.6	-51	0	0	0	0	114.1	F211 I212	F211-T215 WeakPolarHBondContact CE2-OG1 3.09Å; F211-T215 HydrophobicContact CZ-CG2 4.38Å; F211-T215 VanDerWaalsContact O-CB 3.23Å; F211-T215 WeakPolarHBondContact O-CB 3.41Å; F211-T215 PolarHBondContact O-N 3.29Å; F211-T215 VanDerWaalsContact O-N 3.08Å; F211-T215 PolarHBondContact O-OG1 3.46Å; I212-T215 PolarHBondContact O-N 3.47Å
216	F	81.3	Confident	66.1	Low	144 Å²	144	89.9 Å²	89.9	63%	0.632	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	-5.4	-172.1	-61	-80.6	0	0	0	114.2	F211 I212	F211-F216 HydrophobicContact CE1-CE2 4.34Å; I212-F216 HydrophobicContact CB-CD2 4.49Å; I212-F216 HydrophobicContact CG2-CB 4.3Å; I212-F216 HydrophobicContact CG2-CD2 4.06Å; I212-F216 PolarHBondContact O-N 3.38Å
217	L	77.8	Confident	63.3	Low	15 Å²	15	92.1 Å²	92.1	8%	0.079	48%	0.479	C	S	.	.	S	Bend	trans	-108.9	134.6	165.1	-68.1	172.6	0	0	0	107.9	K188 L191 N192 L195 K219	K188-L217 HydrophobicContact CB-CD2 3.88Å; K188-L217 HydrophobicContact CG-CD2 3.78Å; L191-L217 HydrophobicContact CB-CD2 4.31Å; L191-L217 HydrophobicContact CD2-CD2 3.89Å; L191-L217 HydrophobicContact CD2-CG 4.07Å; L191-L217 HydrophobicContact CG-CD1 4.47Å; L191-L217 HydrophobicContact CG-CD2 4.31Å; L191-L217 HydrophobicContact CG-CG 4.48Å; N192-L217 WeakPolarHBondContact ND2-CD1 3.43Å; N192-L217 WeakPolarHBondContact OD1-CD1 3.42Å; L195-L217 HydrophobicContact CD1-CD1 3.79Å; L217-K219 PolarHBondContact O-N 2.86Å
218	D	65.1	Low	60.9	Low	117 Å²	117	91.4 Å²	91.4	63%	0.626	49%	0.485	S	S	*	.			trans	-64	101.9	159.9	-61.5	-62.7	0	0	0	108	K188 Q220	K188-D218 VanDerWaalsContact CE-OD2 3.25Å; K188-D218 WeakPolarHBondContact CE-OD2 3.35Å; K188-D218 IonicContact NZ-OD2 3.81Å; K188-D218 PolarHBondContact NZ-OD2 3.48Å; D218-Q220 PolarHBondContact O-N 2.89Å
219	K	56	Low	58.4	Low	101 Å²	101	94.5 Å²	94.5	44%	0.439	49%	0.494	S	S	.	.			trans	-55.7	125	143.5	-67.2	-171.2	-178.3	-172	0	106.2	L217 H221 E222	L217-K219 PolarHBondContact O-N 2.86Å; K219-H221 PolarHBondContact O-N 3.43Å; K219-E222 HydrophobicContact CD-CB 4.44Å; K219-E222 HydrophobicContact CD-CG 4.06Å; K219-E222 WeakPolarHBondContact CD-OE2 3.48Å; K219-E222 WeakPolarHBondContact CE-OE2 3.31Å; K219-E222 VanDerWaalsContact NZ-CD 3.34Å; K219-E222 IonicContact NZ-OE1 3.31Å; K219-E222 PolarHBondContact NZ-OE1 3.02Å; K219-E222 IonicContact NZ-OE2 3.88Å; K219-E222 PolarHBondContact NZ-OE2 3.2Å
220	Q	42.3	Very low	55.9	Low	181 Å²	181	100.7 Å²	100.7	85%	0.846	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	99.6	178.4	-71.8	173.8	-57.4	0	0	109.9	D218	D218-Q220 PolarHBondContact O-N 2.89Å
221	H	44	Very low	53.5	Low	108 Å²	108	102.8 Å²	102.8	50%	0.5	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	52.1	168.9	-74.9	77.7	0	0	0	117.3	K219 V223 K444	K219-H221 PolarHBondContact O-N 3.43Å; H221-V223 PolarHBondContact O-N 3.09Å; H221-K444 HydrophobicContact CB-CD 3.88Å; H221-K444 HydrophobicContact CB-CG 4.44Å
222	E	32.9	Very low	51.3	Low	118 Å²	118	106.8 Å²	106.8	55%	0.551	56%	0.559	S	S	*	*			trans	-78.9	63.9	158.3	-80.2	-163.6	163.6	0	0	112.1	K219 E224	K219-E222 HydrophobicContact CD-CB 4.44Å; K219-E222 HydrophobicContact CD-CG 4.06Å; K219-E222 WeakPolarHBondContact CD-OE2 3.48Å; K219-E222 WeakPolarHBondContact CE-OE2 3.31Å; K219-E222 VanDerWaalsContact NZ-CD 3.34Å; K219-E222 IonicContact NZ-OE1 3.31Å; K219-E222 PolarHBondContact NZ-OE1 3.02Å; K219-E222 IonicContact NZ-OE2 3.88Å; K219-E222 PolarHBondContact NZ-OE2 3.2Å; E222-E224 VanDerWaalsContact C-N 3.35Å; E222-E224 PolarHBondContact O-N 3.45Å
223	V	38	Very low	48.9	Very low	74 Å²	74	111.7 Å²	111.7	45%	0.448	58%	0.581	S	S	.	*			trans	-75.5	87.3	169.9	-175.8	0	0	0	0	109	H221 M225	H221-V223 PolarHBondContact O-N 3.09Å; V223-M225 PolarHBondContact O-N 3.08Å
224	E	31.3	Very low	46.4	Very low	136 Å²	136	118 Å²	118	64%	0.636	60%	0.604	S	S	*	*			trans	-69.4	112.2	-178.7	-176.6	159.4	-120.3	0	0	111.8	E222 K436	E222-E224 VanDerWaalsContact C-N 3.35Å; E222-E224 PolarHBondContact O-N 3.45Å; E224-K436 IonicContact OE1-NZ 2.69Å; E224-K436 PolarHBondContact OE1-NZ 3.34Å
225	M	35.9	Very low	44.5	Very low	75 Å²	75	123.9 Å²	123.9	37%	0.369	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-66.8	138.6	172.8	-76	-71.1	-77.5	0	0	111.2	V223 S227 R443	V223-M225 PolarHBondContact O-N 3.08Å; M225-S227 PolarHBondContact O-N 3.23Å; M225-S227 VanDerWaalsContact O-N 3.11Å; M225-R443 VanDerWaalsContact CG-CD 3.49Å; M225-R443 VanDerWaalsContact SD-CD 3.59Å; M225-R443 PolarHBondContact SD-NE 3.47Å; M225-R443 VanDerWaalsContact SD-NE 3.38Å
226	P	31.3	Very low	42.2	Very low	110 Å²	110	130 Å²	130	71%	0.714	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-56.7	117.1	166.4	-22.8	33.6	0	0	0	110.3
227	S	29.4	Very low	40.4	Very low	96 Å²	96	133.1 Å²	133.1	67%	0.671	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-65.3	135.8	171.7	179.2	0	0	0	0	109.6	M225 Q229	M225-S227 PolarHBondContact O-N 3.23Å; M225-S227 VanDerWaalsContact O-N 3.11Å; S227-Q229 VanDerWaalsContact C-N 3.26Å; S227-Q229 PolarHBondContact O-N 3.41Å
228	P	33.8	Very low	38.2	Very low	106 Å²	106	140 Å²	140	69%	0.688	69%	0.694	S	S	*	*			trans	-70.1	82.5	176.8	29.2	-34.8	0	0	0	110.6	T230	P228-T230 PolarHBondContact O-N 3.4Å
229	Q	32.8	Very low	37	Very low	141 Å²	141	143 Å²	143	66%	0.659	70%	0.702	S	S	*	*			trans	-62.1	128.5	168.7	-69	-169.9	0.7	0	0	109.2	S227 Q231	S227-Q229 VanDerWaalsContact C-N 3.26Å; S227-Q229 PolarHBondContact O-N 3.41Å; Q229-Q231 HydrophobicContact CB-CG 4.08Å; Q229-Q231 PolarHBondContact O-N 3.47Å
230	T	34.8	Very low	36.2	Very low	144 Å²	144	142.2 Å²	142.2	88%	0.883	71%	0.707	S	S	*	*			trans	-73.6	59.4	-177.7	37.9	0	0	0	0	112.8	P228 K232	P228-T230 PolarHBondContact O-N 3.4Å; T230-K232 VanDerWaalsContact C-N 3.34Å; T230-K232 PolarHBondContact O-N 3.15Å
231	Q	33	Very low	36	Very low	154 Å²	154	143 Å²	143	72%	0.72	71%	0.713	S	S	*	*			trans	-80	76.4	-179	-63.5	-163.4	14.4	0	0	112.2	Q229 E233	Q229-Q231 HydrophobicContact CB-CG 4.08Å; Q229-Q231 PolarHBondContact O-N 3.47Å; Q231-E233 VanDerWaalsContact C-N 3.29Å; Q231-E233 PolarHBondContact O-N 3.45Å
232	K	38.8	Very low	36	Very low	203 Å²	203	142.6 Å²	142.6	88%	0.883	72%	0.722	S	S	*	*			trans	-66.5	92	151.8	-81.4	-176.2	174.9	176	0	108.9	T230	T230-K232 VanDerWaalsContact C-N 3.34Å; T230-K232 PolarHBondContact O-N 3.15Å
233	E	35.4	Very low	36.7	Very low	145 Å²	145	143.2 Å²	143.2	68%	0.678	73%	0.725	S	S	*	*				178	144.8	129.4	-101.3	-163.9	155.2	0	0	115.8	Q231	Q231-E233 VanDerWaalsContact C-N 3.29Å; Q231-E233 PolarHBondContact O-N 3.45Å
234	K	33.7	Very low	37.6	Very low	164 Å²	164	141.4 Å²	141.4	71%	0.713	71%	0.712	S	S	*	*			trans	64.7	93.6	152.2	-66.8	175.9	174.4	94.5	0	118.3	K236	K234-K236 PolarHBondContact O-N 3.01Å
235	E	43	Very low	38.3	Very low	196 Å²	196	138.8 Å²	138.8	92%	0.916	71%	0.709	S	S	*	*			trans	-48.2	128.1	155.1	-55.6	175.8	113.4	0	0	112.3
236	K	34.8	Very low	39	Very low	203 Å²	203	136.3 Å²	136.3	88%	0.883	70%	0.703	S	S	*	*			trans	-141.8	139.3	148.7	-89.4	-167.8	178.2	174	0	110.8	K234 N238	K234-K236 PolarHBondContact O-N 3.01Å; K236-N238 PolarHBondContact O-N 3.11Å
237	K	43.6	Very low	40.1	Very low	209 Å²	209	133 Å²	133	91%	0.909	68%	0.681	S	S	*	*			trans	-58.7	116.4	-175	-63.1	177	179.4	-179	0	112.2
238	N	32.1	Very low	41.2	Very low	158 Å²	158	133.3 Å²	133.3	85%	0.845	67%	0.67	S	S	*	*			trans	-155.5	120.4	140	-92.2	-21.2	0	0	0	106.2	K236 P240	K236-N238 PolarHBondContact O-N 3.11Å; N238-P240 WeakPolarHBondContact O-CD 3.46Å
239	K	39.3	Very low	41.9	Very low	182 Å²	182	137.3 Å²	137.3	79%	0.791	68%	0.676	S	S	*	*			trans	-82.5	121.4	174.2	-73.1	-167.2	172.3	-160.3	0	108.7
240	P	39.5	Very low	42.6	Very low	83 Å²	83	133.4 Å²	133.4	54%	0.539	66%	0.66	S	S	.	*			trans	-72.1	160.9	164.4	33.4	-34.3	0	0	0	109.8	N238 S242	N238-P240 WeakPolarHBondContact O-CD 3.46Å; P240-S242 PolarHBondContact O-N 2.99Å
241	M	38	Very low	43.2	Very low	199 Å²	199	135.1 Å²	135.1	98%	0.98	66%	0.658	S	S	*	*	S	Bend	trans	-75.6	-1.5	174.7	-59.5	-171.9	-58.6	0	0	113.1	Q243	M241-Q243 PolarHBondContact O-N 3.34Å
242	S	44.2	Very low	44	Very low	99 Å²	99	133 Å²	133	69%	0.692	65%	0.648	S	S	*	*			trans	-95.8	36.3	-174.8	67.1	0	0	0	0	113.5	P240	P240-S242 PolarHBondContact O-N 2.99Å
243	Q	47.5	Very low	43.9	Very low	131 Å²	131	129.2 Å²	129.2	61%	0.612	65%	0.647	S	S	*	*			trans	-106	105.3	176.4	-176.4	171.5	15.2	0	0	109.2	M241 S245	M241-Q243 PolarHBondContact O-N 3.34Å; Q243-S245 PolarHBondContact O-N 2.94Å; Q243-S245 VanDerWaalsContact O-N 3.16Å
244	I	57.7	Low	44.4	Very low	35 Å²	35	126.4 Å²	126.4	18%	0.179	64%	0.643	C	S	.	*			trans	-54.6	117.6	177.7	-56	172.3	0	0	0	109.4	G246 V247 A417 V418 K421	I244-G246 PolarHBondContact O-N 3.29Å; I244-V247 HydrophobicContact CB-CG2 4.48Å; I244-A417 HydrophobicContact CD1-CB 3.8Å; I244-V418 HydrophobicContact CG2-CG2 4.04Å; I244-K421 HydrophobicContact CD1-CB 4.08Å; I244-K421 HydrophobicContact CD1-CG 4.29Å
245	S	45.5	Very low	44.9	Very low	81 Å²	81	123 Å²	123	57%	0.566	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	61.4	-178.4	34.2	0	0	0	0	111.9	Q243 E400	Q243-S245 PolarHBondContact O-N 2.94Å; Q243-S245 VanDerWaalsContact O-N 3.16Å; S245-E400 PolarHBondContact OG-OE2 3.48Å
246	G	50.4	Low	45.3	Very low	23 Å²	23	115.4 Å²	115.4	24%	0.237	61%	0.605	C	S	.	*	T	Hydrogen-bonded Turn	trans	-156.8	-33.1	177.6	0	0	0	0	0	114.1	I244 K248	I244-G246 PolarHBondContact O-N 3.29Å; G246-K248 PolarHBondContact O-N 3.09Å
247	V	53.9	Low	46	Very low	41 Å²	41	110.1 Å²	110.1	25%	0.248	59%	0.59	C	S	.	*			trans	-59.5	104.3	-173.9	-173.8	0	0	0	0	112.4	I244 K249 H334 K421 L422	I244-V247 HydrophobicContact CB-CG2 4.48Å; V247-K249 PolarHBondContact O-N 3.24Å; V247-H334 WeakPolarHBondContact CA-NE2 3.3Å; V247-K421 HydrophobicContact CG2-CG 3.98Å; V247-L422 HydrophobicContact CG1-CD2 4.01Å
248	K	53.2	Low	46.2	Very low	103 Å²	103	106.6 Å²	106.6	45%	0.448	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-71.4	117.7	177.8	-60.9	169.9	-164.1	162.7	0	108.3	G246 L250 D333 H334	G246-K248 PolarHBondContact O-N 3.09Å; K248-L250 PolarHBondContact O-N 2.9Å; K248-D333 PolarHBondContact NZ-O 3.31Å; K248-H334 PolarHBondContact N-NE2 2.91Å
249	K	48.2	Very low	47.2	Very low	189 Å²	189	104.6 Å²	104.6	82%	0.822	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-67.2	122.6	179.1	-168.6	174.8	-174.3	178.4	0	110.1	V247	V247-K249 PolarHBondContact O-N 3.24Å
250	L	48.8	Very low	48.3	Very low	59 Å²	59	100.7 Å²	100.7	31%	0.309	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-46.8	137.5	-172	-85	80.7	0	0	0	113.9	K248 T330 E425	K248-L250 PolarHBondContact O-N 2.9Å; L250-T330 HydrophobicContact CD1-CG2 3.91Å; L250-T330 HydrophobicContact CG-CG2 4.49Å; L250-E425 HydrophobicContact CD1-CB 4.29Å; L250-E425 HydrophobicContact CD1-CG 4.45Å
251	Q	45.7	Very low	49.9	Very low	180 Å²	180	99 Å²	99	84%	0.841	55%	0.553	S	S	*	*			trans	-97.9	-15.8	161	-62.5	-167.1	1.2	0	0	112.7	S253	Q251-S253 VanDerWaalsContact C-N 3.3Å; Q251-S253 PolarHBondContact O-N 3.21Å
252	H	49.9	Very low	52	Low	110 Å²	110	90.1 Å²	90.1	51%	0.509	51%	0.51	S	S	.	.			trans	-83.4	61.2	-174.4	-65.6	-62.9	0	0	0	113.3	S254 D333	H252-S254 PolarHBondContact O-N 3.35Å; H252-D333 IonicContact CD2-OD2 3.46Å; H252-D333 PolarHBondContact CD2-OD2 3.35Å; H252-D333 IonicContact NE2-OD2 3.81Å
253	S	36.5	Very low	53.9	Low	123 Å²	123	92 Å²	92	86%	0.86	50%	0.502	S	S	*	.			trans	-79.7	41.1	179.5	74.9	0	0	0	0	113.9	Q251	Q251-S253 VanDerWaalsContact C-N 3.3Å; Q251-S253 PolarHBondContact O-N 3.21Å
254	S	46.2	Very low	55.9	Low	86 Å²	86	86.7 Å²	86.7	60%	0.601	48%	0.477	S	S	*	.			trans	-122.6	79.6	-177.3	59.9	0	0	0	0	111	H252 L256	H252-S254 PolarHBondContact O-N 3.35Å; S254-L256 PolarHBondContact O-N 3.41Å
255	S	45	Very low	57.3	Low	92 Å²	92	85.1 Å²	85.1	64%	0.643	47%	0.47	S	S	*	.			trans	-50.2	129.9	170.3	170	0	0	0	0	110.1	T257	S255-T257 PolarHBondContact O-N 2.98Å
256	L	51.3	Low	59.4	Low	38 Å²	38	81.4 Å²	81.4	20%	0.199	44%	0.444	C	S	.	.			trans	-79.8	112.7	-177.6	-71.9	161.4	0	0	0	108.1	S254 N258 D322 I325	S254-L256 PolarHBondContact O-N 3.41Å; L256-N258 PolarHBondContact O-N 2.88Å; L256-D322 WeakPolarHBondContact CB-OD1 3.48Å; L256-D322 PolarHBondContact N-OD1 3.3Å; L256-I325 HydrophobicContact CD1-CB 4.47Å; L256-I325 HydrophobicContact CD1-CD1 4.34Å; L256-I325 HydrophobicContact CD1-CG2 3.92Å
257	T	48.6	Very low	61.2	Low	92 Å²	92	86.9 Å²	86.9	56%	0.564	46%	0.461	S	S	*	.			trans	-61.7	134	168.5	53.6	0	0	0	0	109	S255 S259 N260	S255-T257 PolarHBondContact O-N 2.98Å; T257-S259 PolarHBondContact O-N 3.35Å; T257-N260 PolarHBondContact O-N 2.85Å
258	N	49.7	Very low	62.9	Low	135 Å²	135	86.6 Å²	86.6	72%	0.722	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-14.2	-172.3	-70.8	-15.6	0	0	0	115.8	L256	L256-N258 PolarHBondContact O-N 2.88Å
259	S	51.2	Low	64.6	Low	115 Å²	115	91.2 Å²	91.2	80%	0.804	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.9	177	-47.3	0	0	0	0	114.9	T257	T257-S259 PolarHBondContact O-N 3.35Å
260	N	63.4	Low	66.6	Low	100 Å²	100	84.4 Å²	84.4	54%	0.535	46%	0.457	S	S	.	.			trans	-131.8	25.6	-170.8	-89.6	-31.1	0	0	0	113.5	T257 K267	T257-N260 PolarHBondContact O-N 2.85Å; N260-K267 PolarHBondContact O-NZ 3.3Å
261	I	73.7	Confident	68.6	Low	48 Å²	48	84.8 Å²	84.8	25%	0.246	46%	0.457	C	S	.	.			trans	-74.6	128.5	176.7	-56.5	-178.9	0	0	0	109	L321 I325	I261-L321 HydrophobicContact CD1-CB 4.34Å; I261-L321 HydrophobicContact CD1-CD2 4.01Å; I261-L321 HydrophobicContact CD1-CG 4.28Å; I261-L321 HydrophobicContact CG2-CD2 3.9Å; I261-L321 HydrophobicContact CG2-CG 4.25Å; I261-I325 HydrophobicContact CG2-CD1 3.73Å
262	P	81.4	Confident	70.9	Confident	12 Å²	12	81.3 Å²	81.3	8%	0.078	44%	0.444	C	S	.	.			trans	-74	157.6	-177.7	-14.8	32	0	0	0	112.6	F264 G265 V266 K267 Y305	P262-F264 VanDerWaalsContact C-N 3.26Å; P262-F264 PolarHBondContact O-N 2.91Å; P262-G265 WeakPolarHBondContact CG-O 3.1Å; P262-G265 PolarHBondContact O-N 3.21Å; P262-V266 WeakPolarHBondContact CB-O 3.33Å; P262-K267 HydrophobicContact CB-CG 4.02Å; P262-K267 HydrophobicContact CG-CD 4.25Å; P262-K267 HydrophobicContact CG-CG 3.43Å; P262-K267 VanDerWaalsContact CG-CG 3.43Å; P262-Y305 PolarHBondContact O-OH 3.3Å
263	R	84.3	Confident	73	Confident	139 Å²	139	79.4 Å²	79.4	53%	0.525	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-41	-176.7	-177.4	176.4	173.2	-166.4	-5.1	112.4	Y305	R263-Y305 WeakPolarHBondContact O-CE1 3.09Å; R263-Y305 PolarHBondContact O-OH 3.08Å
264	F	88.9	Confident	75.7	Confident	19 Å²	19	73.6 Å²	73.6	8%	0.083	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	28.3	-176.6	-54.3	-66.6	0	0	0	112.9	P262 V266 L274 A275 L278 V302 Y305	P262-F264 VanDerWaalsContact C-N 3.26Å; P262-F264 PolarHBondContact O-N 2.91Å; F264-V266 PolarHBondContact O-N 3.01Å; F264-L274 HydrophobicContact CB-CD2 4.18Å; F264-L274 HydrophobicContact CD2-CD2 3.89Å; F264-L274 HydrophobicContact CD2-CG 4.3Å; F264-L274 HydrophobicContact CG-CD2 4.26Å; F264-A275 HydrophobicContact CE2-CB 4.15Å; F264-A275 HydrophobicContact CZ-CB 3.77Å; F264-L278 HydrophobicContact CD1-CD1 3.36Å; F264-L278 HydrophobicContact CD2-CD1 4.37Å; F264-L278 HydrophobicContact CE1-CD1 3.45Å; F264-L278 VanDerWaalsContact CE1-CD1 3.45Å; F264-L278 HydrophobicContact CE2-CD1 4.43Å; F264-L278 HydrophobicContact CG-CD1 3.84Å; F264-L278 HydrophobicContact CZ-CD1 3.99Å; F264-V302 HydrophobicContact CB-CG1 4.36Å; F264-Y305 VanDerWaalsContact C-CD1 3.46Å
265	G	87.3	Confident	78	Confident	2 Å²	2	70.1 Å²	70.1	2%	0.021	37%	0.371	C	S	.	.	S	Bend	trans	74.2	-30.2	-177	0	0	0	0	0	115.3	P262	P262-G265 WeakPolarHBondContact CG-O 3.1Å; P262-G265 PolarHBondContact O-N 3.21Å
266	V	90.3	Very high	80.4	Confident	3 Å²	3	70.5 Å²	70.5	2%	0.018	36%	0.361	C	S	.	.	S	Bend	trans	-99.8	151.3	176.5	-54.5	0	0	0	0	112	P262 F264 L274 R298 T301 V302 M329	P262-V266 WeakPolarHBondContact CB-O 3.33Å; F264-V266 PolarHBondContact O-N 3.01Å; V266-L274 HydrophobicContact CG2-CD2 4.19Å; V266-R298 HydrophobicContact CG1-CB 3.64Å; V266-R298 HydrophobicContact CG1-CG 4.37Å; V266-T301 HydrophobicContact CG1-CG2 3.98Å; V266-V302 HydrophobicContact CB-CG2 4.16Å; V266-V302 HydrophobicContact CG1-CG2 3.55Å; V266-V302 HydrophobicContact CG2-CG2 3.46Å; V266-V302 VanDerWaalsContact CG2-CG2 3.46Å; V266-M329 HydrophobicContact CB-CE 4.49Å; V266-M329 HydrophobicContact CG1-CE 3.99Å
267	K	88.4	Confident	82.5	Confident	138 Å²	138	70.4 Å²	70.4	60%	0.6	36%	0.36	S	S	*	.			trans	-99.2	117.5	171.2	-65.5	-176.8	-179.8	179.3	0	109.1	N260 P262	N260-K267 PolarHBondContact O-NZ 3.3Å; P262-K267 HydrophobicContact CB-CG 4.02Å; P262-K267 HydrophobicContact CG-CD 4.25Å; P262-K267 HydrophobicContact CG-CG 3.43Å; P262-K267 VanDerWaalsContact CG-CG 3.43Å
268	T	88.8	Confident	84.7	Confident	35 Å²	35	66.6 Å²	66.6	22%	0.215	34%	0.336	C	S	.	.			trans	-134.5	160.9	178.3	-178.2	0	0	0	0	110.3	T270 E271 L274 F294	T268-T270 PolarHBondContact OG1-N 2.99Å; T268-T270 PolarHBondContact OG1-OG1 3.08Å; T268-T270 VanDerWaalsContact OG1-OG1 3.14Å; T268-E271 HydrophobicContact CG2-CB 4.4Å; T268-E271 HydrophobicContact CG2-CG 3.66Å; T268-L274 HydrophobicContact CG2-CD2 4.25Å; T268-F294 VanDerWaalsContact CB-O 3.26Å; T268-F294 WeakPolarHBondContact CB-O 3.35Å; T268-F294 WeakPolarHBondContact CG2-O 3.4Å; T268-F294 PolarHBondContact OG1-O 3.07Å
269	E	88.3	Confident	86.8	Confident	201 Å²	201	67.1 Å²	67.1	94%	0.939	33%	0.334	S	S	*	.	S	Bend	trans	-86.1	-13.9	171.2	-62.1	-172.7	172.1	0	0	111.9
270	T	91.9	Very high	88.9	Confident	46 Å²	46	65.4 Å²	65.4	28%	0.282	31%	0.313	S	S	.	.			trans	-110.2	46.9	-177.6	58.1	0	0	0	0	112.2	T268 D272 E273 L274 F294	T268-T270 PolarHBondContact OG1-N 2.99Å; T268-T270 PolarHBondContact OG1-OG1 3.08Å; T268-T270 VanDerWaalsContact OG1-OG1 3.14Å; T270-D272 VanDerWaalsContact C-N 3.26Å; T270-D272 PolarHBondContact O-N 2.81Å; T270-E273 PolarHBondContact O-N 3.02Å; T270-L274 WeakPolarHBondContact O-CB 3.48Å; T270-L274 PolarHBondContact O-N 3.37Å; T270-L274 VanDerWaalsContact O-N 3.07Å; T270-F294 WeakPolarHBondContact OG1-CA 3.24Å; T270-F294 PolarHBondContact OG1-O 3.15Å
271	E	90.9	Very high	90.5	Very high	66 Å²	66	61 Å²	61	31%	0.308	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-30.7	179.7	-75.3	-162.7	154.6	0	0	112.5	T268 A275	T268-E271 HydrophobicContact CG2-CB 4.4Å; T268-E271 HydrophobicContact CG2-CG 3.66Å; E271-A275 WeakPolarHBondContact O-CB 3.21Å; E271-A275 PolarHBondContact O-N 3Å
272	D	92.6	Very high	91.6	Very high	107 Å²	107	62.3 Å²	62.3	57%	0.572	30%	0.297	S	S	*	.	H	α-helix	trans	-77.1	-31.5	-180	-76.4	-28.1	0	0	0	112.9	T270 K276	T270-D272 VanDerWaalsContact C-N 3.26Å; T270-D272 PolarHBondContact O-N 2.81Å; D272-K276 VanDerWaalsContact O-CD 3.26Å; D272-K276 WeakPolarHBondContact O-CD 3.28Å; D272-K276 WeakPolarHBondContact O-CE 3.37Å; D272-K276 VanDerWaalsContact O-CG 3.3Å; D272-K276 WeakPolarHBondContact O-CG 3.19Å; D272-K276 PolarHBondContact O-NZ 3.38Å
273	E	93.9	Very high	92.4	Very high	71 Å²	71	67.1 Å²	67.1	33%	0.332	32%	0.317	S	S	.	.	H	α-helix	trans	-70.8	-45.7	171.2	-71.8	54.3	-117.9	0	0	110.3	T270 A275 K276 E277 F294	T270-E273 PolarHBondContact O-N 3.02Å; E273-A275 VanDerWaalsContact C-N 3.29Å; E273-A275 PolarHBondContact O-N 2.94Å; E273-K276 PolarHBondContact O-N 3.09Å; E273-K276 IonicContact OE1-NZ 2.66Å; E273-K276 PolarHBondContact OE1-NZ 3.12Å; E273-E277 PolarHBondContact O-N 2.97Å; E273-F294 HydrophobicContact CB-CD1 4.06Å; E273-F294 HydrophobicContact CB-CD2 3.77Å; E273-F294 HydrophobicContact CB-CE1 4.13Å; E273-F294 HydrophobicContact CB-CE2 3.83Å; E273-F294 HydrophobicContact CB-CG 3.91Å; E273-F294 HydrophobicContact CB-CZ 4.02Å; E273-F294 HydrophobicContact CG-CE1 4.43Å; E273-F294 HydrophobicContact CG-CZ 4.41Å
274	L	94	Very high	93	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-41.2	176.4	-173.1	60.1	0	0	0	111.5	F264 V266 T268 T270 K276 E277 L278 I291 F294 V302	F264-L274 HydrophobicContact CB-CD2 4.18Å; F264-L274 HydrophobicContact CD2-CD2 3.89Å; F264-L274 HydrophobicContact CD2-CG 4.3Å; F264-L274 HydrophobicContact CG-CD2 4.26Å; V266-L274 HydrophobicContact CG2-CD2 4.19Å; T268-L274 HydrophobicContact CG2-CD2 4.25Å; T270-L274 WeakPolarHBondContact O-CB 3.48Å; T270-L274 PolarHBondContact O-N 3.37Å; T270-L274 VanDerWaalsContact O-N 3.07Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-K276 PolarHBondContact O-N 2.98Å; L274-E277 PolarHBondContact O-N 2.95Å; L274-L278 HydrophobicContact CD1-CD1 4.45Å; L274-L278 HydrophobicContact CG-CD1 3.99Å; L274-L278 HydrophobicContact CG-CG 4.49Å; L274-L278 WeakPolarHBondContact O-CB 3.28Å; L274-L278 VanDerWaalsContact O-CG 3.23Å; L274-L278 WeakPolarHBondContact O-CG 3.44Å; L274-L278 PolarHBondContact O-N 3.32Å; L274-I291 HydrophobicContact CD1-CB 4.5Å; L274-I291 HydrophobicContact CD1-CG1 4.42Å; L274-I291 HydrophobicContact CD1-CG2 4.16Å; L274-F294 HydrophobicContact CB-CB 4.03Å; L274-F294 HydrophobicContact CD1-CB 4.15Å; L274-V302 HydrophobicContact CD1-CG1 4.25Å; L274-V302 HydrophobicContact CD2-CG1 4.3Å; L274-V302 HydrophobicContact CD2-CG2 4.21Å
275	A	94.4	Very high	93.2	Very high	13 Å²	13	63 Å²	63	11%	0.107	31%	0.307	C	S	.	.	H	α-helix	trans	-57.5	-41.5	176.6	0	0	0	0	0	113.4	F264 E271 E273 L278 E279	F264-A275 HydrophobicContact CE2-CB 4.15Å; F264-A275 HydrophobicContact CZ-CB 3.77Å; E271-A275 WeakPolarHBondContact O-CB 3.21Å; E271-A275 PolarHBondContact O-N 3Å; E273-A275 VanDerWaalsContact C-N 3.29Å; E273-A275 PolarHBondContact O-N 2.94Å; A275-L278 PolarHBondContact O-N 2.91Å; A275-E279 PolarHBondContact O-N 3.41Å; A275-E279 VanDerWaalsContact O-N 3.16Å
276	K	95	Very high	93.7	Very high	100 Å²	100	63.1 Å²	63.1	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-69	-39.9	-177.3	-64	155.4	-162.7	144.7	0	112.4	D272 E273 L274 L278 E279 H280	D272-K276 VanDerWaalsContact O-CD 3.26Å; D272-K276 WeakPolarHBondContact O-CD 3.28Å; D272-K276 WeakPolarHBondContact O-CE 3.37Å; D272-K276 VanDerWaalsContact O-CG 3.3Å; D272-K276 WeakPolarHBondContact O-CG 3.19Å; D272-K276 PolarHBondContact O-NZ 3.38Å; E273-K276 PolarHBondContact O-N 3.09Å; E273-K276 IonicContact OE1-NZ 2.66Å; E273-K276 PolarHBondContact OE1-NZ 3.12Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-K276 PolarHBondContact O-N 2.98Å; K276-L278 VanDerWaalsContact C-N 3.32Å; K276-E279 WeakPolarHBondContact O-CB 3.49Å; K276-E279 PolarHBondContact O-N 3.19Å; K276-H280 PolarHBondContact O-ND1 2.73Å
277	E	95.1	Very high	94	Very high	36 Å²	36	64.9 Å²	64.9	17%	0.168	32%	0.316	C	S	.	.	H	α-helix	trans	-68.3	-36.5	173.7	-55	-62.7	145.2	0	0	110.2	E273 L274 E279 H280 L286 K290 I291 F294	E273-E277 PolarHBondContact O-N 2.97Å; L274-E277 PolarHBondContact O-N 2.95Å; E277-E279 VanDerWaalsContact C-N 3.29Å; E277-E279 PolarHBondContact O-N 3.39Å; E277-H280 WeakPolarHBondContact O-CB 3.29Å; E277-H280 PolarHBondContact O-N 2.92Å; E277-L286 WeakPolarHBondContact O-CD1 3.46Å; E277-K290 HydrophobicContact CG-CB 4.36Å; E277-K290 HydrophobicContact CG-CD 4.04Å; E277-K290 VanDerWaalsContact OE1-CD 3.3Å; E277-K290 WeakPolarHBondContact OE1-CD 3.11Å; E277-K290 IonicContact OE1-NZ 3.17Å; E277-K290 PolarHBondContact OE1-NZ 3.45Å; E277-K290 WeakPolarHBondContact OE2-CD 3.14Å; E277-K290 IonicContact OE2-NZ 2.67Å; E277-K290 PolarHBondContact OE2-NZ 3.4Å; E277-I291 HydrophobicContact CB-CD1 4.43Å; E277-I291 HydrophobicContact CB-CG1 4.02Å; E277-F294 HydrophobicContact CG-CD2 4.12Å; E277-F294 HydrophobicContact CG-CE2 3.91Å
278	L	95.3	Very high	94.4	Very high	13 Å²	13	58.4 Å²	58.4	7%	0.068	29%	0.289	C	S	.	.	H	α-helix	trans	-66.8	-21	177.3	-71.4	174.8	0	0	0	114.9	F264 L274 A275 K276 H280 V281 V302 M303 T306	F264-L278 HydrophobicContact CD1-CD1 3.36Å; F264-L278 HydrophobicContact CD2-CD1 4.37Å; F264-L278 HydrophobicContact CE1-CD1 3.45Å; F264-L278 VanDerWaalsContact CE1-CD1 3.45Å; F264-L278 HydrophobicContact CE2-CD1 4.43Å; F264-L278 HydrophobicContact CG-CD1 3.84Å; F264-L278 HydrophobicContact CZ-CD1 3.99Å; L274-L278 HydrophobicContact CD1-CD1 4.45Å; L274-L278 HydrophobicContact CG-CD1 3.99Å; L274-L278 HydrophobicContact CG-CG 4.49Å; L274-L278 WeakPolarHBondContact O-CB 3.28Å; L274-L278 VanDerWaalsContact O-CG 3.23Å; L274-L278 WeakPolarHBondContact O-CG 3.44Å; L274-L278 PolarHBondContact O-N 3.32Å; A275-L278 PolarHBondContact O-N 2.91Å; K276-L278 VanDerWaalsContact C-N 3.32Å; L278-H280 PolarHBondContact O-N 2.83Å; L278-V281 WeakPolarHBondContact O-CB 3.5Å; L278-V281 WeakPolarHBondContact O-CG1 3.31Å; L278-V281 PolarHBondContact O-N 3.04Å; L278-V281 VanDerWaalsContact O-N 3.08Å; L278-V302 HydrophobicContact CD1-CG1 3.95Å; L278-V302 HydrophobicContact CD2-CG1 3.97Å; L278-V302 HydrophobicContact CG-CG1 4.47Å; L278-M303 HydrophobicContact CD2-CE 3.35Å; L278-T306 HydrophobicContact CD2-CG2 4.27Å
279	E	94.8	Very high	94.8	Very high	146 Å²	146	57.9 Å²	57.9	68%	0.682	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-14.7	168	-68.4	171.4	-163.2	0	0	112.8	A275 K276 E277	A275-E279 PolarHBondContact O-N 3.41Å; A275-E279 VanDerWaalsContact O-N 3.16Å; K276-E279 WeakPolarHBondContact O-CB 3.49Å; K276-E279 PolarHBondContact O-N 3.19Å; E277-E279 VanDerWaalsContact C-N 3.29Å; E277-E279 PolarHBondContact O-N 3.39Å
280	H	94.1	Very high	95.2	Very high	78 Å²	78	51.8 Å²	51.8	36%	0.361	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	7.2	-179.2	-59.8	71.1	0	0	0	113	K276 E277 L278 N282 K283 L286	K276-H280 PolarHBondContact O-ND1 2.73Å; E277-H280 WeakPolarHBondContact O-CB 3.29Å; E277-H280 PolarHBondContact O-N 2.92Å; L278-H280 PolarHBondContact O-N 2.83Å; H280-N282 PolarHBondContact O-N 3.32Å; H280-N282 VanDerWaalsContact O-N 3.08Å; H280-K283 HydrophobicContact CB-CD 4.38Å; H280-K283 WeakPolarHBondContact O-CB 3.29Å; H280-K283 PolarHBondContact O-N 3.3Å; H280-L286 HydrophobicContact CB-CD1 3.68Å
281	V	97.1	Very high	95.5	Very high	8 Å²	8	49.6 Å²	49.6	5%	0.048	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.4	-175	70.2	0	0	0	0	114.6	L278 T306 I307 Q352	L278-V281 WeakPolarHBondContact O-CB 3.5Å; L278-V281 WeakPolarHBondContact O-CG1 3.31Å; L278-V281 PolarHBondContact O-N 3.04Å; L278-V281 VanDerWaalsContact O-N 3.08Å; V281-T306 HydrophobicContact CB-CG2 4.31Å; V281-T306 HydrophobicContact CG1-CG2 4.02Å; V281-T306 HydrophobicContact CG2-CG2 4.03Å; V281-I307 HydrophobicContact CG2-CG1 4.27Å; V281-Q352 HydrophobicContact CG2-CG 4.42Å; V281-Q352 PolarHBondContact O-NE2 2.95Å
282	N	97.4	Very high	95.8	Very high	75 Å²	75	46.7 Å²	46.7	40%	0.401	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	11.4	177.8	-63.9	-22.4	0	0	0	113.8	H280 E310 H355	H280-N282 PolarHBondContact O-N 3.32Å; H280-N282 VanDerWaalsContact O-N 3.08Å; N282-E310 PolarHBondContact ND2-OE1 3.2Å; N282-H355 CovalentContact OD1-NE2 1.8Å; N282-H355 PolarHBondContact OD1-NE2 3.06Å
283	K	96.9	Very high	95.9	Very high	113 Å²	113	48.5 Å²	48.5	49%	0.491	23%	0.232	S	C	.	.	S	Bend	trans	-117.5	150.6	-176.9	-61.7	176.4	-177.7	172.5	0	111.8	H280 Q352	H280-K283 HydrophobicContact CB-CD 4.38Å; H280-K283 WeakPolarHBondContact O-CB 3.29Å; H280-K283 PolarHBondContact O-N 3.3Å; K283-Q352 PolarHBondContact O-NE2 2.68Å
284	W	97.8	Very high	96	Very high	52 Å²	52	46.9 Å²	46.9	20%	0.197	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	152.4	167.4	-154.2	-117.1	0	0	0	110.9	V356 L357 T505 K506 W563 I577	W284-V356 HydrophobicContact CE3-CB 4.07Å; W284-V356 HydrophobicContact CE3-CG1 3.97Å; W284-V356 HydrophobicContact CZ3-CB 4.36Å; W284-L357 HydrophobicContact CZ3-CD2 4.34Å; W284-L357 HydrophobicContact CZ3-CG 4.2Å; W284-T505 VanDerWaalsContact CZ2-OG1 3.32Å; W284-T505 WeakPolarHBondContact CZ2-OG1 3.26Å; W284-T505 PolarHBondContact NE1-O 3.3Å; W284-T505 PolarHBondContact NE1-OG1 3Å; W284-K506 HydrophobicContact CZ2-CD 4.38Å; W284-W563 AromaticContact CH2-CH2 3.57Å; W284-W563 HydrophobicContact CH2-CH2 3.57Å; W284-W563 AromaticContact CH2-CZ2 3.98Å; W284-W563 HydrophobicContact CH2-CZ2 3.98Å; W284-W563 AromaticContact CZ2-CH2 3.62Å; W284-W563 HydrophobicContact CZ2-CH2 3.62Å; W284-W563 AromaticContact CZ2-CZ2 3.83Å; W284-W563 HydrophobicContact CZ2-CZ2 3.83Å; W284-I577 HydrophobicContact CD2-CD1 4.17Å; W284-I577 HydrophobicContact CG-CD1 4.44Å; W284-I577 HydrophobicContact CG-CG1 4.48Å; W284-I577 HydrophobicContact CZ2-CG2 4.32Å
285	G	93.9	Very high	96.1	Very high	19 Å²	19	47 Å²	47	20%	0.196	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	26.4	178.6	0	0	0	0	0	115.6	L510	G285-L510 WeakPolarHBondContact O-CD1 3.4Å
286	L	96.9	Very high	96	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.031	25%	0.248	C	C	.	.			trans	-58.5	139.1	171	-176.8	67	0	0	0	111	E277 H280 L288 I291 M303 Q352 L510	E277-L286 WeakPolarHBondContact O-CD1 3.46Å; H280-L286 HydrophobicContact CB-CD1 3.68Å; L286-L288 HydrophobicContact CB-CD2 3.96Å; L286-L288 HydrophobicContact CD2-CD2 4.06Å; L286-L288 HydrophobicContact CG-CD2 4.02Å; L286-L288 VanDerWaalsContact O-CD2 3.28Å; L286-L288 WeakPolarHBondContact O-CD2 3.35Å; L286-L288 PolarHBondContact O-N 2.63Å; L286-L288 VanDerWaalsContact O-N 3.09Å; L286-I291 HydrophobicContact CD1-CD1 3.92Å; L286-I291 HydrophobicContact CD2-CD1 3.57Å; L286-I291 HydrophobicContact CG-CD1 3.62Å; L286-M303 HydrophobicContact CD2-SD 3.76Å; L286-Q352 HydrophobicContact CD2-CG 3.64Å; L286-L510 WeakPolarHBondContact O-CD1 3.43Å
287	N	96.9	Very high	96	Very high	39 Å²	39	48 Å²	48	21%	0.209	25%	0.246	C	C	.	.			trans	-86.6	82.5	-178.1	-166.2	-40.8	0	0	0	112.1	F289 K290 I291 L510	N287-F289 PolarHBondContact O-N 2.87Å; N287-F289 PolarHBondContact OD1-N 3.19Å; N287-K290 HydrophobicContact CB-CB 4.45Å; N287-K290 HydrophobicContact CB-CD 4.08Å; N287-K290 HydrophobicContact CB-CG 4.31Å; N287-K290 PolarHBondContact O-N 2.83Å; N287-K290 PolarHBondContact OD1-N 3.47Å; N287-I291 PolarHBondContact O-N 3.35Å; N287-L510 HydrophobicContact CB-CD2 4.28Å
288	L	96.8	Very high	96.1	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-25.8	178.6	-80.8	-59.1	0	0	0	113.5	L286 I291 S292 M303 I345 A348 D349	L286-L288 HydrophobicContact CB-CD2 3.96Å; L286-L288 HydrophobicContact CD2-CD2 4.06Å; L286-L288 HydrophobicContact CG-CD2 4.02Å; L286-L288 VanDerWaalsContact O-CD2 3.28Å; L286-L288 WeakPolarHBondContact O-CD2 3.35Å; L286-L288 PolarHBondContact O-N 2.63Å; L286-L288 VanDerWaalsContact O-N 3.09Å; L288-I291 HydrophobicContact CD1-CD1 4.2Å; L288-I291 PolarHBondContact O-N 3.46Å; L288-S292 PolarHBondContact O-N 2.65Å; L288-M303 HydrophobicContact CD1-CG 3.6Å; L288-M303 HydrophobicContact CD1-SD 3.71Å; L288-I345 HydrophobicContact CB-CG2 4.13Å; L288-A348 HydrophobicContact CD1-CB 3.83Å; L288-D349 HydrophobicContact CB-CB 4.49Å; L288-D349 HydrophobicContact CD2-CB 4.21Å; L288-D349 HydrophobicContact CG-CB 3.9Å
289	F	97.7	Very high	96.2	Very high	23 Å²	23	48.2 Å²	48.2	10%	0.101	25%	0.245	C	C	.	.	H	α-helix	trans	-67.1	-45.9	177.1	-56.7	-62.6	0	0	0	112.1	N287 I291 S292 E293 I345 L510 Q513 W514	N287-F289 PolarHBondContact O-N 2.87Å; N287-F289 PolarHBondContact OD1-N 3.19Å; F289-I291 VanDerWaalsContact C-N 3.33Å; F289-I291 PolarHBondContact O-N 3.29Å; F289-S292 WeakPolarHBondContact O-CB 3.35Å; F289-S292 PolarHBondContact O-N 3.08Å; F289-E293 PolarHBondContact O-N 3.28Å; F289-I345 HydrophobicContact CD1-CD1 4.42Å; F289-I345 HydrophobicContact CD1-CG2 3.86Å; F289-I345 HydrophobicContact CE1-CG2 4Å; F289-L510 HydrophobicContact CD2-CD2 3.85Å; F289-L510 HydrophobicContact CE2-CD2 4.07Å; F289-Q513 HydrophobicContact CD2-CB 4.26Å; F289-Q513 HydrophobicContact CE2-CB 3.55Å; F289-Q513 HydrophobicContact CE2-CG 4.35Å; F289-Q513 HydrophobicContact CZ-CB 3.75Å; F289-W514 HydrophobicContact CE1-CD2 4.38Å; F289-W514 HydrophobicContact CE1-CE3 4.26Å; F289-W514 AromaticContact CE1-CH2 3.74Å; F289-W514 HydrophobicContact CE1-CH2 3.74Å; F289-W514 AromaticContact CE1-CZ2 3.91Å; F289-W514 HydrophobicContact CE1-CZ2 3.91Å; F289-W514 AromaticContact CE1-CZ3 3.94Å; F289-W514 HydrophobicContact CE1-CZ3 3.94Å; F289-W514 HydrophobicContact CE2-CZ2 4.45Å; F289-W514 AromaticContact CZ-CD2 3.65Å; F289-W514 HydrophobicContact CZ-CD2 3.65Å; F289-W514 AromaticContact CZ-CE2 3.52Å; F289-W514 AromaticContact CZ-CE3 3.93Å; F289-W514 HydrophobicContact CZ-CE3 3.93Å; F289-W514 HydrophobicContact CZ-CG 4.23Å; F289-W514 AromaticContact CZ-CH2 3.89Å; F289-W514 HydrophobicContact CZ-CH2 3.89Å; F289-W514 AromaticContact CZ-CZ2 3.65Å; F289-W514 HydrophobicContact CZ-CZ2 3.65Å; F289-W514 HydrophobicContact CZ-CZ3 4.05Å
290	K	96.6	Very high	96.4	Very high	74 Å²	74	41.3 Å²	41.3	32%	0.322	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-40	171.3	-71.4	179.2	-172	172.9	0	112.2	E277 N287 S292 E293 F294	E277-K290 HydrophobicContact CG-CB 4.36Å; E277-K290 HydrophobicContact CG-CD 4.04Å; E277-K290 VanDerWaalsContact OE1-CD 3.3Å; E277-K290 WeakPolarHBondContact OE1-CD 3.11Å; E277-K290 IonicContact OE1-NZ 3.17Å; E277-K290 PolarHBondContact OE1-NZ 3.45Å; E277-K290 WeakPolarHBondContact OE2-CD 3.14Å; E277-K290 IonicContact OE2-NZ 2.67Å; E277-K290 PolarHBondContact OE2-NZ 3.4Å; N287-K290 HydrophobicContact CB-CB 4.45Å; N287-K290 HydrophobicContact CB-CD 4.08Å; N287-K290 HydrophobicContact CB-CG 4.31Å; N287-K290 PolarHBondContact O-N 2.83Å; N287-K290 PolarHBondContact OD1-N 3.47Å; K290-S292 PolarHBondContact O-N 3.21Å; K290-E293 WeakPolarHBondContact O-CB 3.47Å; K290-E293 PolarHBondContact O-N 3.45Å; K290-E293 VanDerWaalsContact O-N 3.15Å; K290-F294 HydrophobicContact CB-CD2 4.29Å; K290-F294 HydrophobicContact CB-CE2 3.94Å; K290-F294 HydrophobicContact CB-CZ 4.48Å; K290-F294 HydrophobicContact CD-CE2 4.3Å; K290-F294 HydrophobicContact CG-CE2 4.43Å; K290-F294 WeakPolarHBondContact O-CD2 3.09Å; K290-F294 WeakPolarHBondContact O-CG 3.16Å; K290-F294 PolarHBondContact O-N 2.81Å
291	I	96.9	Very high	96.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-37.5	176.7	-71.2	159.5	0	0	0	109.8	L274 E277 L286 N287 L288 F289 S295 P299 V302 M303	L274-I291 HydrophobicContact CD1-CB 4.5Å; L274-I291 HydrophobicContact CD1-CG1 4.42Å; L274-I291 HydrophobicContact CD1-CG2 4.16Å; E277-I291 HydrophobicContact CB-CD1 4.43Å; E277-I291 HydrophobicContact CB-CG1 4.02Å; L286-I291 HydrophobicContact CD1-CD1 3.92Å; L286-I291 HydrophobicContact CD2-CD1 3.57Å; L286-I291 HydrophobicContact CG-CD1 3.62Å; N287-I291 PolarHBondContact O-N 3.35Å; L288-I291 HydrophobicContact CD1-CD1 4.2Å; L288-I291 PolarHBondContact O-N 3.46Å; F289-I291 VanDerWaalsContact C-N 3.33Å; F289-I291 PolarHBondContact O-N 3.29Å; I291-S295 WeakPolarHBondContact O-CB 3.48Å; I291-S295 PolarHBondContact O-N 2.74Å; I291-S295 PolarHBondContact O-OG 3.13Å; I291-P299 HydrophobicContact CG2-CB 4.02Å; I291-V302 HydrophobicContact CG2-CG1 4.49Å; I291-M303 HydrophobicContact CD1-CE 3.95Å; I291-M303 HydrophobicContact CD1-SD 4.31Å; I291-M303 HydrophobicContact CG2-CE 3.75Å
292	S	96.8	Very high	96.6	Very high	5 Å²	5	37.2 Å²	37.2	4%	0.035	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-46.6	171.3	-161.6	0	0	0	0	112	L288 F289 K290 S295 G296 N297 P299	L288-S292 PolarHBondContact O-N 2.65Å; F289-S292 WeakPolarHBondContact O-CB 3.35Å; F289-S292 PolarHBondContact O-N 3.08Å; K290-S292 PolarHBondContact O-N 3.21Å; S292-S295 PolarHBondContact O-N 2.95Å; S292-S295 PolarHBondContact O-OG 2.93Å; S292-S295 VanDerWaalsContact O-OG 3.12Å; S292-G296 PolarHBondContact O-N 2.77Å; S292-N297 WeakPolarHBondContact O-CA 3.25Å; S292-N297 PolarHBondContact O-N 3.38Å; S292-N297 PolarHBondContact OG-OD1 3.34Å; S292-P299 WeakPolarHBondContact OG-CD 3.48Å
293	E	96	Very high	96.6	Very high	145 Å²	145	33.7 Å²	33.7	68%	0.678	17%	0.174	S	C	*	.	H	α-helix	trans	-57.2	-56.4	175.6	-173.9	177.1	-174.7	0	0	112	F289 K290 S295 G296	F289-E293 PolarHBondContact O-N 3.28Å; K290-E293 WeakPolarHBondContact O-CB 3.47Å; K290-E293 PolarHBondContact O-N 3.45Å; K290-E293 VanDerWaalsContact O-N 3.15Å; E293-S295 VanDerWaalsContact C-N 3.3Å; E293-S295 PolarHBondContact O-N 3.36Å; E293-G296 PolarHBondContact O-N 3.11Å
294	F	96.2	Very high	96.7	Very high	37 Å²	37	28.3 Å²	28.3	16%	0.162	15%	0.151	C	C	.	.	H	α-helix	trans	-73.2	-16.2	-175.3	-55.3	-32.5	0	0	0	114.3	T268 T270 E273 L274 E277 K290	T268-F294 VanDerWaalsContact CB-O 3.26Å; T268-F294 WeakPolarHBondContact CB-O 3.35Å; T268-F294 WeakPolarHBondContact CG2-O 3.4Å; T268-F294 PolarHBondContact OG1-O 3.07Å; T270-F294 WeakPolarHBondContact OG1-CA 3.24Å; T270-F294 PolarHBondContact OG1-O 3.15Å; E273-F294 HydrophobicContact CB-CD1 4.06Å; E273-F294 HydrophobicContact CB-CD2 3.77Å; E273-F294 HydrophobicContact CB-CE1 4.13Å; E273-F294 HydrophobicContact CB-CE2 3.83Å; E273-F294 HydrophobicContact CB-CG 3.91Å; E273-F294 HydrophobicContact CB-CZ 4.02Å; E273-F294 HydrophobicContact CG-CE1 4.43Å; E273-F294 HydrophobicContact CG-CZ 4.41Å; L274-F294 HydrophobicContact CB-CB 4.03Å; L274-F294 HydrophobicContact CD1-CB 4.15Å; E277-F294 HydrophobicContact CG-CD2 4.12Å; E277-F294 HydrophobicContact CG-CE2 3.91Å; K290-F294 HydrophobicContact CB-CD2 4.29Å; K290-F294 HydrophobicContact CB-CE2 3.94Å; K290-F294 HydrophobicContact CB-CZ 4.48Å; K290-F294 HydrophobicContact CD-CE2 4.3Å; K290-F294 HydrophobicContact CG-CE2 4.43Å; K290-F294 WeakPolarHBondContact O-CD2 3.09Å; K290-F294 WeakPolarHBondContact O-CG 3.16Å; K290-F294 PolarHBondContact O-N 2.81Å
295	S	94.6	Very high	96.7	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-90.3	-7.2	174.8	62.2	0	0	0	0	114.1	I291 S292 E293 R298	I291-S295 WeakPolarHBondContact O-CB 3.48Å; I291-S295 PolarHBondContact O-N 2.74Å; I291-S295 PolarHBondContact O-OG 3.13Å; S292-S295 PolarHBondContact O-N 2.95Å; S292-S295 PolarHBondContact O-OG 2.93Å; S292-S295 VanDerWaalsContact O-OG 3.12Å; E293-S295 VanDerWaalsContact C-N 3.3Å; E293-S295 PolarHBondContact O-N 3.36Å; S295-R298 VanDerWaalsContact OG-C 3.24Å; S295-R298 WeakPolarHBondContact OG-CA 3.2Å; S295-R298 PolarHBondContact OG-N 3.38Å
296	G	93.2	Very high	96.9	Very high	56 Å²	56	26.1 Å²	26.1	58%	0.577	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.2	41.8	-172.1	0	0	0	0	0	112.8	S292 E293	S292-G296 PolarHBondContact O-N 2.77Å; E293-G296 PolarHBondContact O-N 3.11Å
297	N	94.9	Very high	96.9	Very high	76 Å²	76	25.9 Å²	25.9	41%	0.406	14%	0.137	S	C	.	.	S	Bend	trans	57.8	47	-171.9	-158.6	91.3	0	0	0	113.3	S292 N344	S292-N297 WeakPolarHBondContact O-CA 3.25Å; S292-N297 PolarHBondContact O-N 3.38Å; S292-N297 PolarHBondContact OG-OD1 3.34Å; N297-N344 PolarHBondContact ND2-ND2 3.07Å; N297-N344 PolarHBondContact O-ND2 3.3Å
298	R	96.8	Very high	97	Very high	55 Å²	55	24 Å²	24	21%	0.208	13%	0.127	C	C	.	.			trans	-127.8	43	175	-65.6	-66.7	-178.9	170.4	-2.3	114.3	V266 S295 L300 T301 V302 M329 E332 D333	V266-R298 HydrophobicContact CG1-CB 3.64Å; V266-R298 HydrophobicContact CG1-CG 4.37Å; S295-R298 VanDerWaalsContact OG-C 3.24Å; S295-R298 WeakPolarHBondContact OG-CA 3.2Å; S295-R298 PolarHBondContact OG-N 3.38Å; R298-L300 VanDerWaalsContact C-N 3.34Å; R298-L300 PolarHBondContact O-N 2.85Å; R298-T301 PolarHBondContact O-N 2.64Å; R298-V302 WeakPolarHBondContact O-CG2 3.37Å; R298-V302 PolarHBondContact O-N 2.91Å; R298-M329 PolarHBondContact NH1-O 2.89Å; R298-E332 VanDerWaalsContact CA-OE1 3.25Å; R298-E332 WeakPolarHBondContact CA-OE1 3.37Å; R298-E332 WeakPolarHBondContact CA-OE2 3.2Å; R298-E332 WeakPolarHBondContact CD-OE2 3.39Å; R298-D333 IonicContact CZ-OD1 2.67Å; R298-D333 IonicContact NH1-OD1 3.66Å; R298-D333 PolarHBondContact NH1-OD1 3.02Å; R298-D333 IonicContact NH2-OD1 3.15Å; R298-D333 PolarHBondContact NH2-OD1 3.44Å
299	P	97.9	Very high	97	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-36.1	-176	28.8	-36.7	0	0	0	113.2	I291 S292 V302 M303 E332 N344 I345 A348	I291-P299 HydrophobicContact CG2-CB 4.02Å; S292-P299 WeakPolarHBondContact OG-CD 3.48Å; P299-V302 PolarHBondContact O-N 3.06Å; P299-M303 WeakPolarHBondContact O-CG 3.42Å; P299-M303 PolarHBondContact O-N 3.19Å; P299-E332 VanDerWaalsContact CD-OE1 3.31Å; P299-E332 WeakPolarHBondContact CD-OE1 3.11Å; P299-N344 WeakPolarHBondContact CD-ND2 3.23Å; P299-I345 HydrophobicContact CG-CB 4.45Å; P299-I345 HydrophobicContact CG-CG1 4.17Å; P299-A348 HydrophobicContact CB-CB 3.9Å; P299-A348 HydrophobicContact CG-CB 4.32Å
300	L	98.5	Very high	96.9	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-68.5	-42.6	-177.7	-179.7	61.6	0	0	0	110.9	R298 V302 M303 M304 L331 E332 Y335 N344 A347 A348 A380	R298-L300 VanDerWaalsContact C-N 3.34Å; R298-L300 PolarHBondContact O-N 2.85Å; L300-V302 VanDerWaalsContact C-N 3.33Å; L300-V302 PolarHBondContact O-N 3.06Å; L300-M303 PolarHBondContact O-N 2.91Å; L300-M304 HydrophobicContact CD1-CG 4.13Å; L300-M304 WeakPolarHBondContact O-CB 3.47Å; L300-M304 WeakPolarHBondContact O-CG 3.45Å; L300-M304 PolarHBondContact O-N 3.27Å; L300-L331 HydrophobicContact CD2-CD2 4.12Å; L300-L331 HydrophobicContact CD2-CG 4.21Å; L300-E332 HydrophobicContact CB-CG 4.38Å; L300-E332 WeakPolarHBondContact CB-OE1 3.45Å; L300-E332 PolarHBondContact N-OE1 2.78Å; L300-Y335 HydrophobicContact CD2-CD2 3.98Å; L300-Y335 HydrophobicContact CD2-CE2 3.57Å; L300-N344 HydrophobicContact CB-CB 4.34Å; L300-A347 HydrophobicContact CD1-CB 4.18Å; L300-A347 HydrophobicContact CD2-CB 4.14Å; L300-A348 HydrophobicContact CB-CB 4.28Å; L300-A348 HydrophobicContact CD1-CB 4.47Å; L300-A380 HydrophobicContact CD1-CB 4.05Å
301	T	97.9	Very high	96.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-41.4	174.4	-60.8	0	0	0	0	111.2	V266 R298 Y305 L328 M329 E332	V266-T301 HydrophobicContact CG1-CG2 3.98Å; R298-T301 PolarHBondContact O-N 2.64Å; T301-Y305 WeakPolarHBondContact O-CB 3.39Å; T301-Y305 PolarHBondContact O-N 3.43Å; T301-L328 HydrophobicContact CG2-CB 3.85Å; T301-L328 HydrophobicContact CG2-CD1 4.16Å; T301-M329 HydrophobicContact CG2-CE 4.02Å; T301-M329 HydrophobicContact CG2-SD 4.37Å; T301-E332 WeakPolarHBondContact CB-OE2 3.49Å; T301-E332 PolarHBondContact N-OE2 2.87Å; T301-E332 VanDerWaalsContact N-OE2 3.1Å; T301-E332 PolarHBondContact OG1-OE2 2.96Å
302	V	97.8	Very high	97	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.4	-43.6	178.5	178.1	0	0	0	0	112.4	F264 V266 L274 L278 I291 R298 P299 L300 Y305 T306	F264-V302 HydrophobicContact CB-CG1 4.36Å; V266-V302 HydrophobicContact CB-CG2 4.16Å; V266-V302 HydrophobicContact CG1-CG2 3.55Å; V266-V302 HydrophobicContact CG2-CG2 3.46Å; V266-V302 VanDerWaalsContact CG2-CG2 3.46Å; L274-V302 HydrophobicContact CD1-CG1 4.25Å; L274-V302 HydrophobicContact CD2-CG1 4.3Å; L274-V302 HydrophobicContact CD2-CG2 4.21Å; L278-V302 HydrophobicContact CD1-CG1 3.95Å; L278-V302 HydrophobicContact CD2-CG1 3.97Å; L278-V302 HydrophobicContact CG-CG1 4.47Å; I291-V302 HydrophobicContact CG2-CG1 4.49Å; R298-V302 WeakPolarHBondContact O-CG2 3.37Å; R298-V302 PolarHBondContact O-N 2.91Å; P299-V302 PolarHBondContact O-N 3.06Å; L300-V302 VanDerWaalsContact C-N 3.33Å; L300-V302 PolarHBondContact O-N 3.06Å; V302-Y305 PolarHBondContact O-N 3.36Å; V302-T306 PolarHBondContact O-N 2.87Å; V302-T306 PolarHBondContact O-OG1 2.98Å; V302-T306 VanDerWaalsContact O-OG1 3.09Å
303	M	98.4	Very high	97	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-52.2	177.8	-70.7	-52.9	84.5	0	0	110.9	L278 L286 L288 I291 P299 L300 Y305 T306 I307 A348 Q352	L278-M303 HydrophobicContact CD2-CE 3.35Å; L286-M303 HydrophobicContact CD2-SD 3.76Å; L288-M303 HydrophobicContact CD1-CG 3.6Å; L288-M303 HydrophobicContact CD1-SD 3.71Å; I291-M303 HydrophobicContact CD1-CE 3.95Å; I291-M303 HydrophobicContact CD1-SD 4.31Å; I291-M303 HydrophobicContact CG2-CE 3.75Å; P299-M303 WeakPolarHBondContact O-CG 3.42Å; P299-M303 PolarHBondContact O-N 3.19Å; L300-M303 PolarHBondContact O-N 2.91Å; M303-Y305 VanDerWaalsContact C-N 3.26Å; M303-Y305 PolarHBondContact O-N 3.33Å; M303-T306 PolarHBondContact O-N 3.33Å; M303-I307 HydrophobicContact CB-CD1 4.23Å; M303-I307 VanDerWaalsContact O-CB 3.24Å; M303-I307 WeakPolarHBondContact O-CB 3.38Å; M303-I307 WeakPolarHBondContact O-CD1 3.48Å; M303-I307 WeakPolarHBondContact O-CG1 3.2Å; M303-I307 PolarHBondContact O-N 3.31Å; M303-A348 HydrophobicContact CB-CB 4.45Å; M303-A348 HydrophobicContact CG-CB 3.9Å; M303-Q352 HydrophobicContact CG-CB 4.48Å; M303-Q352 HydrophobicContact SD-CB 4.17Å; M303-Q352 HydrophobicContact SD-CG 4.18Å
304	M	98.4	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.7	-38.5	176.9	-76.6	-72.4	-81.2	0	0	112.2	L300 F308 F324 L328 T351 I376 A380	L300-M304 HydrophobicContact CD1-CG 4.13Å; L300-M304 WeakPolarHBondContact O-CB 3.47Å; L300-M304 WeakPolarHBondContact O-CG 3.45Å; L300-M304 PolarHBondContact O-N 3.27Å; M304-F308 HydrophobicContact CE-CD2 4.33Å; M304-F308 HydrophobicContact CE-CE2 3.45Å; M304-F308 VanDerWaalsContact CE-CE2 3.45Å; M304-F308 HydrophobicContact CE-CZ 3.83Å; M304-F308 VanDerWaalsContact O-CB 3.25Å; M304-F308 WeakPolarHBondContact O-CB 3.3Å; M304-F308 WeakPolarHBondContact O-CD2 3.47Å; M304-F308 PolarHBondContact O-N 2.87Å; M304-F308 HydrophobicContact SD-CD2 4.3Å; M304-F308 HydrophobicContact SD-CE2 3.74Å; M304-F324 HydrophobicContact CB-CZ 4.43Å; M304-L328 HydrophobicContact CB-CD1 3.62Å; M304-L328 HydrophobicContact CB-CD2 3.46Å; M304-L328 VanDerWaalsContact CB-CD2 3.46Å; M304-L328 HydrophobicContact CB-CG 4.19Å; M304-L328 HydrophobicContact CE-CD2 3.85Å; M304-L328 HydrophobicContact CG-CD2 3.73Å; M304-T351 HydrophobicContact CG-CG2 4.21Å; M304-T351 HydrophobicContact SD-CG2 3.72Å; M304-I376 HydrophobicContact SD-CG2 3.77Å; M304-A380 HydrophobicContact CE-CB 3.74Å; M304-A380 HydrophobicContact CG-CB 3.96Å; M304-A380 HydrophobicContact SD-CB 3.54Å; M304-A380 VanDerWaalsContact SD-CB 3.54Å
305	Y	97.4	Very high	97.1	Very high	9 Å²	9	32.7 Å²	32.7	4%	0.035	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-50.4	177.1	-172.4	-83.5	0	0	0	112.8	P262 R263 F264 T301 V302 M303 Q309 L321 I325	P262-Y305 PolarHBondContact O-OH 3.3Å; R263-Y305 WeakPolarHBondContact O-CE1 3.09Å; R263-Y305 PolarHBondContact O-OH 3.08Å; F264-Y305 VanDerWaalsContact C-CD1 3.46Å; T301-Y305 WeakPolarHBondContact O-CB 3.39Å; T301-Y305 PolarHBondContact O-N 3.43Å; V302-Y305 PolarHBondContact O-N 3.36Å; M303-Y305 VanDerWaalsContact C-N 3.26Å; M303-Y305 PolarHBondContact O-N 3.33Å; Y305-Q309 VanDerWaalsContact CE1-CD 3.49Å; Y305-Q309 HydrophobicContact CE1-CG 4.41Å; Y305-Q309 VanDerWaalsContact CZ-NE2 3.28Å; Y305-Q309 WeakPolarHBondContact O-CG 3.37Å; Y305-Q309 PolarHBondContact O-N 2.98Å; Y305-Q309 PolarHBondContact OH-NE2 3.45Å; Y305-L321 HydrophobicContact CD2-CD1 4.36Å; Y305-L321 HydrophobicContact CE2-CD1 3.68Å; Y305-L321 HydrophobicContact CE2-CG 4.36Å; Y305-I325 HydrophobicContact CD2-CG1 4.22Å; Y305-I325 HydrophobicContact CE2-CD1 4.06Å; Y305-I325 HydrophobicContact CE2-CG1 4.2Å
306	T	97.5	Very high	97.3	Very high	17 Å²	17	35.5 Å²	35.5	10%	0.104	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-47.5	178.7	-57.6	0	0	0	0	111.4	L278 V281 V302 M303 F308 Q309 E310	L278-T306 HydrophobicContact CD2-CG2 4.27Å; V281-T306 HydrophobicContact CB-CG2 4.31Å; V281-T306 HydrophobicContact CG1-CG2 4.02Å; V281-T306 HydrophobicContact CG2-CG2 4.03Å; V302-T306 PolarHBondContact O-N 2.87Å; V302-T306 PolarHBondContact O-OG1 2.98Å; V302-T306 VanDerWaalsContact O-OG1 3.09Å; M303-T306 PolarHBondContact O-N 3.33Å; T306-F308 PolarHBondContact O-N 3.27Å; T306-Q309 PolarHBondContact O-N 3.29Å; T306-Q309 VanDerWaalsContact O-N 3.1Å; T306-E310 WeakPolarHBondContact O-CB 3.3Å; T306-E310 PolarHBondContact O-N 3Å
307	I	98.4	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.8	-40.9	-178.4	-71	165.3	0	0	0	111.8	V281 M303 Q309 E310 R311 T351 Q352 H355 I376	V281-I307 HydrophobicContact CG2-CG1 4.27Å; M303-I307 HydrophobicContact CB-CD1 4.23Å; M303-I307 VanDerWaalsContact O-CB 3.24Å; M303-I307 WeakPolarHBondContact O-CB 3.38Å; M303-I307 WeakPolarHBondContact O-CD1 3.48Å; M303-I307 WeakPolarHBondContact O-CG1 3.2Å; M303-I307 PolarHBondContact O-N 3.31Å; I307-Q309 VanDerWaalsContact C-N 3.29Å; I307-Q309 PolarHBondContact O-N 2.67Å; I307-E310 PolarHBondContact O-N 3.19Å; I307-R311 PolarHBondContact O-N 3Å; I307-T351 HydrophobicContact CD1-CG2 3.93Å; I307-Q352 HydrophobicContact CD1-CB 4.45Å; I307-H355 HydrophobicContact CD1-CB 3.75Å; I307-H355 HydrophobicContact CG1-CB 4.07Å; I307-H355 HydrophobicContact CG2-CB 4.23Å; I307-I376 HydrophobicContact CG2-CD1 3.82Å; I307-I376 HydrophobicContact CG2-CG1 4.47Å; I307-I376 HydrophobicContact CG2-CG2 3.89Å
308	F	98.3	Very high	97.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-72.6	-19.1	177.6	-87.9	-121.5	0	0	0	113.8	M304 T306 L313 L314 I319 F324 L373 I376	M304-F308 HydrophobicContact CE-CD2 4.33Å; M304-F308 HydrophobicContact CE-CE2 3.45Å; M304-F308 VanDerWaalsContact CE-CE2 3.45Å; M304-F308 HydrophobicContact CE-CZ 3.83Å; M304-F308 VanDerWaalsContact O-CB 3.25Å; M304-F308 WeakPolarHBondContact O-CB 3.3Å; M304-F308 WeakPolarHBondContact O-CD2 3.47Å; M304-F308 PolarHBondContact O-N 2.87Å; M304-F308 HydrophobicContact SD-CD2 4.3Å; M304-F308 HydrophobicContact SD-CE2 3.74Å; T306-F308 PolarHBondContact O-N 3.27Å; F308-L313 HydrophobicContact CB-CB 4.44Å; F308-L313 HydrophobicContact CD1-CB 3.73Å; F308-L313 HydrophobicContact CD1-CD1 4.2Å; F308-L313 HydrophobicContact CD2-CD1 4.02Å; F308-L313 HydrophobicContact CE1-CB 4.22Å; F308-L313 HydrophobicContact CE1-CD1 4.32Å; F308-L313 HydrophobicContact CE2-CD1 4.15Å; F308-L313 HydrophobicContact CG-CB 4.11Å; F308-L313 HydrophobicContact CG-CD1 4.06Å; F308-L313 HydrophobicContact CZ-CD1 4.3Å; F308-L313 PolarHBondContact O-N 3.31Å; F308-L313 VanDerWaalsContact O-N 3.09Å; F308-L314 HydrophobicContact CB-CD1 4.5Å; F308-L314 HydrophobicContact CB-CD2 4.21Å; F308-L314 HydrophobicContact CB-CG 4.02Å; F308-L314 HydrophobicContact CD1-CD2 4.06Å; F308-I319 HydrophobicContact CD1-CD1 4.2Å; F308-I319 HydrophobicContact CE1-CD1 3.87Å; F308-F324 HydrophobicContact CB-CE1 3.87Å; F308-F324 HydrophobicContact CB-CZ 3.68Å; F308-F324 HydrophobicContact CD1-CD2 4.41Å; F308-F324 HydrophobicContact CD1-CE1 4.19Å; F308-F324 AromaticContact CD1-CE2 3.51Å; F308-F324 HydrophobicContact CD1-CE2 3.51Å; F308-F324 AromaticContact CD1-CZ 3.37Å; F308-F324 HydrophobicContact CD1-CZ 3.37Å; F308-F324 HydrophobicContact CD2-CE2 4.33Å; F308-F324 AromaticContact CD2-CZ 3.7Å; F308-F324 HydrophobicContact CD2-CZ 3.7Å; F308-F324 HydrophobicContact CE1-CD2 4.45Å; F308-F324 AromaticContact CE1-CE2 3.51Å; F308-F324 HydrophobicContact CE1-CE2 3.51Å; F308-F324 AromaticContact CE1-CZ 3.81Å; F308-F324 HydrophobicContact CE1-CZ 3.81Å; F308-F324 HydrophobicContact CE2-CE2 4.33Å; F308-F324 HydrophobicContact CE2-CZ 4.1Å; F308-F324 HydrophobicContact CG-CE1 4.02Å; F308-F324 AromaticContact CG-CE2 3.93Å; F308-F324 HydrophobicContact CG-CE2 3.93Å; F308-F324 AromaticContact CG-CZ 3.3Å; F308-F324 HydrophobicContact CG-CZ 3.3Å; F308-F324 AromaticContact CZ-CE2 3.93Å; F308-F324 HydrophobicContact CZ-CE2 3.93Å; F308-F324 HydrophobicContact CZ-CZ 4.15Å; F308-L373 HydrophobicContact CE1-CD1 3.47Å; F308-L373 VanDerWaalsContact CE1-CD1 3.47Å; F308-L373 HydrophobicContact CE2-CD1 4.49Å; F308-L373 HydrophobicContact CZ-CD1 3.4Å; F308-L373 VanDerWaalsContact CZ-CD1 3.4Å; F308-I376 HydrophobicContact CD2-CG2 4.39Å; F308-I376 HydrophobicContact CE2-CG2 3.78Å
309	Q	95.8	Very high	97.7	Very high	90 Å²	90	35.2 Å²	35.2	42%	0.421	17%	0.165	S	C	.	.	H	α-helix	trans	-81.9	-46.8	169.2	-72.8	-169.8	-15	0	0	111.5	Y305 T306 I307 R311 D312 L314	Y305-Q309 VanDerWaalsContact CE1-CD 3.49Å; Y305-Q309 HydrophobicContact CE1-CG 4.41Å; Y305-Q309 VanDerWaalsContact CZ-NE2 3.28Å; Y305-Q309 WeakPolarHBondContact O-CG 3.37Å; Y305-Q309 PolarHBondContact O-N 2.98Å; Y305-Q309 PolarHBondContact OH-NE2 3.45Å; T306-Q309 PolarHBondContact O-N 3.29Å; T306-Q309 VanDerWaalsContact O-N 3.1Å; I307-Q309 VanDerWaalsContact C-N 3.29Å; I307-Q309 PolarHBondContact O-N 2.67Å; Q309-R311 PolarHBondContact O-N 3.48Å; Q309-D312 PolarHBondContact O-N 3.36Å; Q309-D312 VanDerWaalsContact O-N 3.09Å; Q309-L314 HydrophobicContact CG-CD1 3.93Å
310	E	96.3	Very high	97.6	Very high	108 Å²	108	37.6 Å²	37.6	51%	0.505	18%	0.181	S	C	.	.	H	α-helix	trans	-59.1	-44.9	-179.6	-171.2	71.5	171.7	0	0	112	N282 T306 I307 D312 H355	N282-E310 PolarHBondContact ND2-OE1 3.2Å; T306-E310 WeakPolarHBondContact O-CB 3.3Å; T306-E310 PolarHBondContact O-N 3Å; I307-E310 PolarHBondContact O-N 3.19Å; E310-D312 VanDerWaalsContact C-N 3.31Å; E310-D312 PolarHBondContact O-N 3.37Å; E310-H355 VanDerWaalsContact CG-CE1 3.4Å; E310-H355 WeakPolarHBondContact CG-CE1 3.18Å
311	R	97.3	Very high	97.3	Very high	51 Å²	51	39.9 Å²	39.9	19%	0.192	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	9.9	176.9	-64.5	-172.8	176.8	-86.8	-4.6	114.3	I307 Q309 L313 H355 L358 S359	I307-R311 PolarHBondContact O-N 3Å; Q309-R311 PolarHBondContact O-N 3.48Å; R311-L313 HydrophobicContact CB-CD1 4.2Å; R311-L313 HydrophobicContact CB-CD2 4.28Å; R311-L313 HydrophobicContact CB-CG 3.84Å; R311-L313 PolarHBondContact O-N 3.24Å; R311-H355 WeakPolarHBondContact CG-CE1 3.26Å; R311-H355 PolarHBondContact NE-CE1 3.46Å; R311-H355 VanDerWaalsContact NE-CE1 3.35Å; R311-H355 PolarHBondContact NE-ND1 3.35Å; R311-H355 PolarHBondContact NH2-O 3.49Å; R311-L358 PolarHBondContact NH1-O 2.94Å; R311-L358 VanDerWaalsContact NH2-C 3.3Å; R311-L358 PolarHBondContact NH2-O 3.3Å; R311-S359 PolarHBondContact NH2-OG 2.84Å
312	D	97.6	Very high	97.1	Very high	53 Å²	53	41 Å²	41	28%	0.283	20%	0.199	S	C	.	.			trans	47.2	22.3	-176.8	-150.4	8.9	0	0	0	117.6	Q309 E310 L314 K315 T316	Q309-D312 PolarHBondContact O-N 3.36Å; Q309-D312 VanDerWaalsContact O-N 3.09Å; E310-D312 VanDerWaalsContact C-N 3.31Å; E310-D312 PolarHBondContact O-N 3.37Å; D312-L314 PolarHBondContact O-N 3.09Å; D312-L314 VanDerWaalsContact O-N 3.09Å; D312-K315 PolarHBondContact O-N 3.05Å; D312-K315 VanDerWaalsContact OD1-CB 3.3Å; D312-K315 WeakPolarHBondContact OD1-CB 3.1Å; D312-K315 WeakPolarHBondContact OD1-CD 3.23Å; D312-K315 WeakPolarHBondContact OD1-CE 3.28Å; D312-K315 WeakPolarHBondContact OD1-CG 3.43Å; D312-K315 IonicContact OD1-NZ 2.79Å; D312-K315 PolarHBondContact OD1-NZ 3.44Å; D312-K315 WeakPolarHBondContact OD2-CD 3.32Å; D312-K315 IonicContact OD2-NZ 3.78Å; D312-K315 PolarHBondContact OD2-NZ 3.37Å; D312-T316 PolarHBondContact O-N 2.88Å; D312-T316 PolarHBondContact O-OG1 2.96Å
313	L	98.2	Very high	97	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-30.8	-174.2	-60	175.5	0	0	0	112.1	F308 R311 F317 I372 L373 I376	F308-L313 HydrophobicContact CB-CB 4.44Å; F308-L313 HydrophobicContact CD1-CB 3.73Å; F308-L313 HydrophobicContact CD1-CD1 4.2Å; F308-L313 HydrophobicContact CD2-CD1 4.02Å; F308-L313 HydrophobicContact CE1-CB 4.22Å; F308-L313 HydrophobicContact CE1-CD1 4.32Å; F308-L313 HydrophobicContact CE2-CD1 4.15Å; F308-L313 HydrophobicContact CG-CB 4.11Å; F308-L313 HydrophobicContact CG-CD1 4.06Å; F308-L313 HydrophobicContact CZ-CD1 4.3Å; F308-L313 PolarHBondContact O-N 3.31Å; F308-L313 VanDerWaalsContact O-N 3.09Å; R311-L313 HydrophobicContact CB-CD1 4.2Å; R311-L313 HydrophobicContact CB-CD2 4.28Å; R311-L313 HydrophobicContact CB-CG 3.84Å; R311-L313 PolarHBondContact O-N 3.24Å; L313-F317 HydrophobicContact CB-CD2 4.42Å; L313-F317 HydrophobicContact CD2-CD2 4.39Å; L313-F317 HydrophobicContact CD2-CE2 4.04Å; L313-F317 WeakPolarHBondContact O-CB 3.31Å; L313-F317 PolarHBondContact O-N 3.37Å; L313-I372 HydrophobicContact CD2-CG2 4.22Å; L313-L373 HydrophobicContact CD1-CD1 4.4Å; L313-I376 HydrophobicContact CD1-CD1 4.07Å
314	L	96.9	Very high	96.9	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.11	20%	0.2	C	C	.	.	H	α-helix	trans	-60.9	-44	175.3	-62	173	0	0	0	112.6	F308 Q309 D312 K318 I319 L321 F324	F308-L314 HydrophobicContact CB-CD1 4.5Å; F308-L314 HydrophobicContact CB-CD2 4.21Å; F308-L314 HydrophobicContact CB-CG 4.02Å; F308-L314 HydrophobicContact CD1-CD2 4.06Å; Q309-L314 HydrophobicContact CG-CD1 3.93Å; D312-L314 PolarHBondContact O-N 3.09Å; D312-L314 VanDerWaalsContact O-N 3.09Å; L314-K318 CarbonylContact O-C 3.49Å; L314-K318 VanDerWaalsContact O-CA 3.23Å; L314-K318 WeakPolarHBondContact O-CA 3.49Å; L314-K318 PolarHBondContact O-N 3.21Å; L314-I319 HydrophobicContact CD2-CB 4.02Å; L314-I319 HydrophobicContact CD2-CG2 4.39Å; L314-I319 PolarHBondContact O-N 3.26Å; L314-L321 HydrophobicContact CD1-CD1 3.9Å; L314-F324 HydrophobicContact CD2-CB 4.34Å; L314-F324 HydrophobicContact CD2-CD1 3.66Å; L314-F324 HydrophobicContact CD2-CD2 4.29Å; L314-F324 HydrophobicContact CD2-CE1 3.91Å; L314-F324 HydrophobicContact CD2-CG 3.85Å; L314-F324 HydrophobicContact CD2-CZ 4.38Å
315	K	97.5	Very high	96.7	Very high	145 Å²	145	41.4 Å²	41.4	63%	0.63	20%	0.201	S	C	*	.	H	α-helix	trans	-76.4	-46.1	178.1	-64.6	-169.6	-147	83	0	110.7	D312 F317 K318	D312-K315 PolarHBondContact O-N 3.05Å; D312-K315 VanDerWaalsContact OD1-CB 3.3Å; D312-K315 WeakPolarHBondContact OD1-CB 3.1Å; D312-K315 WeakPolarHBondContact OD1-CD 3.23Å; D312-K315 WeakPolarHBondContact OD1-CE 3.28Å; D312-K315 WeakPolarHBondContact OD1-CG 3.43Å; D312-K315 IonicContact OD1-NZ 2.79Å; D312-K315 PolarHBondContact OD1-NZ 3.44Å; D312-K315 WeakPolarHBondContact OD2-CD 3.32Å; D312-K315 IonicContact OD2-NZ 3.78Å; D312-K315 PolarHBondContact OD2-NZ 3.37Å; K315-F317 PolarHBondContact O-N 3.16Å; K315-K318 WeakPolarHBondContact O-CG 3.43Å; K315-K318 PolarHBondContact O-N 3.15Å
316	T	98.1	Very high	96.6	Very high	62 Å²	62	42.3 Å²	42.3	38%	0.38	21%	0.207	S	C	.	.	H	α-helix	trans	-55.6	-47.5	-179	-63.1	0	0	0	0	112	D312 D369	D312-T316 PolarHBondContact O-N 2.88Å; D312-T316 PolarHBondContact O-OG1 2.96Å; T316-D369 HydrophobicContact CG2-CB 4.02Å
317	F	98.1	Very high	96.6	Very high	15 Å²	15	41.5 Å²	41.5	7%	0.066	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	3.9	179.9	-62.3	-64.5	0	0	0	114.7	L313 K315 I319 D369 L370 L373 L434	L313-F317 HydrophobicContact CB-CD2 4.42Å; L313-F317 HydrophobicContact CD2-CD2 4.39Å; L313-F317 HydrophobicContact CD2-CE2 4.04Å; L313-F317 WeakPolarHBondContact O-CB 3.31Å; L313-F317 PolarHBondContact O-N 3.37Å; K315-F317 PolarHBondContact O-N 3.16Å; F317-I319 VanDerWaalsContact C-N 3.3Å; F317-I319 HydrophobicContact CB-CD1 4.19Å; F317-I319 HydrophobicContact CB-CG1 3.91Å; F317-I319 PolarHBondContact O-N 2.99Å; F317-D369 HydrophobicContact CE2-CB 3.75Å; F317-D369 WeakPolarHBondContact CE2-O 3.27Å; F317-D369 VanDerWaalsContact CZ-C 3.49Å; F317-D369 HydrophobicContact CZ-CB 3.51Å; F317-D369 WeakPolarHBondContact CZ-O 3.45Å; F317-L370 HydrophobicContact CE1-CD1 3.96Å; F317-L370 HydrophobicContact CZ-CB 4.25Å; F317-L370 HydrophobicContact CZ-CD1 4.17Å; F317-L373 HydrophobicContact CD1-CD2 4.4Å; F317-L373 HydrophobicContact CD2-CB 4.44Å; F317-L373 HydrophobicContact CD2-CD2 3.6Å; F317-L373 HydrophobicContact CD2-CG 4.44Å; F317-L373 HydrophobicContact CE1-CD2 4.49Å; F317-L373 HydrophobicContact CE2-CB 3.89Å; F317-L373 HydrophobicContact CE2-CD2 3.71Å; F317-L373 HydrophobicContact CE2-CG 4.35Å; F317-L373 HydrophobicContact CG-CD2 3.93Å; F317-L373 HydrophobicContact CZ-CB 4.46Å; F317-L373 HydrophobicContact CZ-CD2 4.15Å; F317-L434 HydrophobicContact CB-CD2 3.96Å; F317-L434 HydrophobicContact CD1-CD2 3.28Å; F317-L434 HydrophobicContact CE1-CD2 4.05Å; F317-L434 HydrophobicContact CG-CD2 3.92Å
318	K	97.8	Very high	96.5	Very high	155 Å²	155	41.5 Å²	41.5	67%	0.674	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	42.8	175.2	-54.6	173.4	-174.2	173.1	0	112.2	L314 K315 P320 N433	L314-K318 CarbonylContact O-C 3.49Å; L314-K318 VanDerWaalsContact O-CA 3.23Å; L314-K318 WeakPolarHBondContact O-CA 3.49Å; L314-K318 PolarHBondContact O-N 3.21Å; K315-K318 WeakPolarHBondContact O-CG 3.43Å; K315-K318 PolarHBondContact O-N 3.15Å; K318-P320 WeakPolarHBondContact O-CD 3.34Å; K318-N433 HydrophobicContact CB-CB 4.27Å; K318-N433 PolarHBondContact O-ND2 2.78Å
319	I	97.6	Very high	96.3	Very high	11 Å²	11	43.8 Å²	43.8	6%	0.056	21%	0.214	C	C	.	.			trans	-79.5	119.8	-177.3	-49.3	-176.8	0	0	0	108.5	F308 L314 F317 L321 F324 I430	F308-I319 HydrophobicContact CD1-CD1 4.2Å; F308-I319 HydrophobicContact CE1-CD1 3.87Å; L314-I319 HydrophobicContact CD2-CB 4.02Å; L314-I319 HydrophobicContact CD2-CG2 4.39Å; L314-I319 PolarHBondContact O-N 3.26Å; F317-I319 VanDerWaalsContact C-N 3.3Å; F317-I319 HydrophobicContact CB-CD1 4.19Å; F317-I319 HydrophobicContact CB-CG1 3.91Å; F317-I319 PolarHBondContact O-N 2.99Å; I319-L321 PolarHBondContact O-N 3.35Å; I319-F324 HydrophobicContact CG2-CB 3.94Å; I319-F324 HydrophobicContact CG2-CD2 4.14Å; I319-F324 HydrophobicContact CG2-CG 4.34Å; I319-I430 HydrophobicContact CG2-CB 3.84Å; I319-I430 HydrophobicContact CG2-CG2 4.2Å
320	P	95.8	Very high	96.3	Very high	50 Å²	50	39.7 Å²	39.7	33%	0.325	20%	0.195	S	C	.	.			trans	-67.4	133.2	177.5	-18.2	32.3	0	0	0	111	K318 D322 T323 F324	K318-P320 WeakPolarHBondContact O-CD 3.34Å; P320-D322 PolarHBondContact O-N 3.04Å; P320-T323 WeakPolarHBondContact O-CB 3.42Å; P320-T323 PolarHBondContact O-N 2.9Å; P320-T323 VanDerWaalsContact O-N 3.13Å; P320-F324 PolarHBondContact O-N 2.96Å
321	L	93.3	Very high	96.4	Very high	49 Å²	49	34.6 Å²	34.6	26%	0.257	17%	0.171	S	C	.	.	H	α-helix	trans	-66.4	-35.2	-168.9	-165.3	53.2	0	0	0	113.7	I261 Y305 L314 I319 F324 I325	I261-L321 HydrophobicContact CD1-CB 4.34Å; I261-L321 HydrophobicContact CD1-CD2 4.01Å; I261-L321 HydrophobicContact CD1-CG 4.28Å; I261-L321 HydrophobicContact CG2-CD2 3.9Å; I261-L321 HydrophobicContact CG2-CG 4.25Å; Y305-L321 HydrophobicContact CD2-CD1 4.36Å; Y305-L321 HydrophobicContact CE2-CD1 3.68Å; Y305-L321 HydrophobicContact CE2-CG 4.36Å; L314-L321 HydrophobicContact CD1-CD1 3.9Å; I319-L321 PolarHBondContact O-N 3.35Å; L321-F324 HydrophobicContact CD1-CD1 4.32Å; L321-F324 PolarHBondContact O-N 3.38Å; L321-I325 HydrophobicContact CG-CD1 4.29Å; L321-I325 WeakPolarHBondContact O-CG1 3.42Å; L321-I325 PolarHBondContact O-N 2.96Å
322	D	92.8	Very high	96.4	Very high	23 Å²	23	32.4 Å²	32.4	12%	0.123	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-42.4	172.5	176.1	62.7	0	0	0	111.5	L256 P320 F324 T326 N427	L256-D322 WeakPolarHBondContact CB-OD1 3.48Å; L256-D322 PolarHBondContact N-OD1 3.3Å; P320-D322 PolarHBondContact O-N 3.04Å; D322-F324 VanDerWaalsContact C-N 3.34Å; D322-F324 PolarHBondContact O-N 3.18Å; D322-T326 VanDerWaalsContact O-CB 3.31Å; D322-T326 WeakPolarHBondContact O-CB 3.22Å; D322-T326 PolarHBondContact O-N 2.95Å; D322-T326 PolarHBondContact O-OG1 2.88Å; D322-N427 PolarHBondContact OD2-ND2 3.02Å
323	T	94.9	Very high	96.3	Very high	6 Å²	6	32 Å²	32	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-41.3	173.1	-51.3	0	0	0	0	111.5	P320 T326 Y327 N427 I430	P320-T323 WeakPolarHBondContact O-CB 3.42Å; P320-T323 PolarHBondContact O-N 2.9Å; P320-T323 VanDerWaalsContact O-N 3.13Å; T323-T326 PolarHBondContact O-N 2.9Å; T323-Y327 PolarHBondContact O-N 2.89Å; T323-N427 VanDerWaalsContact CA-O 3.27Å; T323-N427 WeakPolarHBondContact CA-O 3.38Å; T323-N427 WeakPolarHBondContact CG2-O 3.49Å; T323-N427 PolarHBondContact OG1-OD1 3.2Å; T323-I430 HydrophobicContact CG2-CG2 4.33Å
324	F	96.8	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-50.1	179.8	-171.9	-121.6	0	0	0	112.2	M304 F308 L314 I319 P320 L321 D322 T326 Y327 L328 I430	M304-F324 HydrophobicContact CB-CZ 4.43Å; F308-F324 HydrophobicContact CB-CE1 3.87Å; F308-F324 HydrophobicContact CB-CZ 3.68Å; F308-F324 HydrophobicContact CD1-CD2 4.41Å; F308-F324 HydrophobicContact CD1-CE1 4.19Å; F308-F324 AromaticContact CD1-CE2 3.51Å; F308-F324 HydrophobicContact CD1-CE2 3.51Å; F308-F324 AromaticContact CD1-CZ 3.37Å; F308-F324 HydrophobicContact CD1-CZ 3.37Å; F308-F324 HydrophobicContact CD2-CE2 4.33Å; F308-F324 AromaticContact CD2-CZ 3.7Å; F308-F324 HydrophobicContact CD2-CZ 3.7Å; F308-F324 HydrophobicContact CE1-CD2 4.45Å; F308-F324 AromaticContact CE1-CE2 3.51Å; F308-F324 HydrophobicContact CE1-CE2 3.51Å; F308-F324 AromaticContact CE1-CZ 3.81Å; F308-F324 HydrophobicContact CE1-CZ 3.81Å; F308-F324 HydrophobicContact CE2-CE2 4.33Å; F308-F324 HydrophobicContact CE2-CZ 4.1Å; F308-F324 HydrophobicContact CG-CE1 4.02Å; F308-F324 AromaticContact CG-CE2 3.93Å; F308-F324 HydrophobicContact CG-CE2 3.93Å; F308-F324 AromaticContact CG-CZ 3.3Å; F308-F324 HydrophobicContact CG-CZ 3.3Å; F308-F324 AromaticContact CZ-CE2 3.93Å; F308-F324 HydrophobicContact CZ-CE2 3.93Å; F308-F324 HydrophobicContact CZ-CZ 4.15Å; L314-F324 HydrophobicContact CD2-CB 4.34Å; L314-F324 HydrophobicContact CD2-CD1 3.66Å; L314-F324 HydrophobicContact CD2-CD2 4.29Å; L314-F324 HydrophobicContact CD2-CE1 3.91Å; L314-F324 HydrophobicContact CD2-CG 3.85Å; L314-F324 HydrophobicContact CD2-CZ 4.38Å; I319-F324 HydrophobicContact CG2-CB 3.94Å; I319-F324 HydrophobicContact CG2-CD2 4.14Å; I319-F324 HydrophobicContact CG2-CG 4.34Å; P320-F324 PolarHBondContact O-N 2.96Å; L321-F324 HydrophobicContact CD1-CD1 4.32Å; L321-F324 PolarHBondContact O-N 3.38Å; D322-F324 VanDerWaalsContact C-N 3.34Å; D322-F324 PolarHBondContact O-N 3.18Å; F324-T326 VanDerWaalsContact C-N 3.32Å; F324-T326 PolarHBondContact O-N 3.17Å; F324-Y327 PolarHBondContact O-N 3.1Å; F324-L328 HydrophobicContact CD1-CD1 3.96Å; F324-L328 HydrophobicContact CE1-CD1 3.58Å; F324-L328 HydrophobicContact CE2-CD1 4.13Å; F324-L328 HydrophobicContact CE2-CD2 4.41Å; F324-L328 HydrophobicContact CE2-CG 4.28Å; F324-L328 HydrophobicContact CG-CD1 4.42Å; F324-L328 HydrophobicContact CZ-CD1 3.65Å; F324-L328 HydrophobicContact CZ-CD2 4.48Å; F324-L328 HydrophobicContact CZ-CG 4.28Å; F324-L328 WeakPolarHBondContact O-CG 3.47Å; F324-L328 PolarHBondContact O-N 2.63Å; F324-I430 HydrophobicContact CB-CG2 4.46Å; F324-I430 HydrophobicContact CD2-CB 4.48Å; F324-I430 HydrophobicContact CD2-CD1 4.47Å; F324-I430 HydrophobicContact CD2-CG2 3.97Å; F324-I430 HydrophobicContact CE2-CD1 4.48Å
325	I	94.7	Very high	96.3	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.015	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-40	175.9	-64.6	166.9	0	0	0	110.8	L256 I261 Y305 L321 Y327 L328 M329	L256-I325 HydrophobicContact CD1-CB 4.47Å; L256-I325 HydrophobicContact CD1-CD1 4.34Å; L256-I325 HydrophobicContact CD1-CG2 3.92Å; I261-I325 HydrophobicContact CG2-CD1 3.73Å; Y305-I325 HydrophobicContact CD2-CG1 4.22Å; Y305-I325 HydrophobicContact CE2-CD1 4.06Å; Y305-I325 HydrophobicContact CE2-CG1 4.2Å; L321-I325 HydrophobicContact CG-CD1 4.29Å; L321-I325 WeakPolarHBondContact O-CG1 3.42Å; L321-I325 PolarHBondContact O-N 2.96Å; I325-Y327 PolarHBondContact O-N 2.77Å; I325-L328 PolarHBondContact O-N 3.42Å; I325-M329 HydrophobicContact CG2-CE 4.18Å; I325-M329 HydrophobicContact CG2-CG 4.01Å; I325-M329 WeakPolarHBondContact O-CB 3.43Å; I325-M329 WeakPolarHBondContact O-CG 3.47Å; I325-M329 PolarHBondContact O-N 2.54Å
326	T	94.7	Very high	96.3	Very high	27 Å²	27	26.3 Å²	26.3	17%	0.166	14%	0.136	C	C	.	.	H	α-helix	trans	-61.7	-43.2	177.6	-55.3	0	0	0	0	111.4	D322 T323 F324 T330 N427	D322-T326 VanDerWaalsContact O-CB 3.31Å; D322-T326 WeakPolarHBondContact O-CB 3.22Å; D322-T326 PolarHBondContact O-N 2.95Å; D322-T326 PolarHBondContact O-OG1 2.88Å; T323-T326 PolarHBondContact O-N 2.9Å; F324-T326 VanDerWaalsContact C-N 3.32Å; F324-T326 PolarHBondContact O-N 3.17Å; T326-T330 WeakPolarHBondContact O-CB 3.13Å; T326-T330 PolarHBondContact O-N 3.19Å; T326-T330 VanDerWaalsContact O-N 3.17Å; T326-T330 PolarHBondContact O-OG1 3.2Å; T326-N427 HydrophobicContact CG2-CB 4.27Å; T326-N427 PolarHBondContact OG1-ND2 3.24Å; T326-N427 VanDerWaalsContact OG1-ND2 3.12Å
327	Y	97.4	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64	-48.8	174.4	178.6	-96.9	0	0	0	112.2	T323 F324 I325 T330 L331 F377 G419 L422 L423 C428 I430	T323-Y327 PolarHBondContact O-N 2.89Å; F324-Y327 PolarHBondContact O-N 3.1Å; I325-Y327 PolarHBondContact O-N 2.77Å; Y327-T330 CarbonylContact O-C 3.6Å; Y327-T330 PolarHBondContact O-N 2.92Å; Y327-L331 HydrophobicContact CE1-CB 4.31Å; Y327-L331 HydrophobicContact CE1-CD2 3.89Å; Y327-L331 WeakPolarHBondContact O-CB 3.33Å; Y327-L331 PolarHBondContact O-N 2.79Å; Y327-F377 HydrophobicContact CE1-CD2 4.47Å; Y327-F377 AromaticContact CE1-CE2 3.67Å; Y327-F377 HydrophobicContact CE1-CE2 3.67Å; Y327-F377 HydrophobicContact CE1-CZ 4.5Å; Y327-F377 AromaticContact CZ-CE2 3.67Å; Y327-F377 VanDerWaalsContact OH-CE2 3.3Å; Y327-F377 WeakPolarHBondContact OH-CE2 3.19Å; Y327-F377 WeakPolarHBondContact OH-CZ 3.38Å; Y327-G419 PolarHBondContact OH-O 3.39Å; Y327-L422 HydrophobicContact CD2-CB 4.43Å; Y327-L422 HydrophobicContact CE2-CB 3.86Å; Y327-L423 HydrophobicContact CD2-CD2 3.79Å; Y327-L423 HydrophobicContact CD2-CG 4.44Å; Y327-L423 HydrophobicContact CE2-CD2 3.53Å; Y327-L423 HydrophobicContact CE2-CG 3.84Å; Y327-C428 HydrophobicContact CD2-CB 4.21Å; Y327-C428 WeakPolarHBondContact CD2-O 3.25Å; Y327-I430 HydrophobicContact CD1-CD1 4Å; Y327-I430 HydrophobicContact CD1-CG1 4.48Å; Y327-I430 HydrophobicContact CD1-CG2 4.24Å; Y327-I430 HydrophobicContact CE1-CD1 4.2Å; Y327-I430 HydrophobicContact CG-CG2 3.93Å
328	L	97.1	Very high	95.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-45.3	-177.4	-69.4	178.9	0	0	0	112.9	T301 M304 F324 I325 T330 L331 E332	T301-L328 HydrophobicContact CG2-CB 3.85Å; T301-L328 HydrophobicContact CG2-CD1 4.16Å; M304-L328 HydrophobicContact CB-CD1 3.62Å; M304-L328 HydrophobicContact CB-CD2 3.46Å; M304-L328 VanDerWaalsContact CB-CD2 3.46Å; M304-L328 HydrophobicContact CB-CG 4.19Å; M304-L328 HydrophobicContact CE-CD2 3.85Å; M304-L328 HydrophobicContact CG-CD2 3.73Å; F324-L328 HydrophobicContact CD1-CD1 3.96Å; F324-L328 HydrophobicContact CE1-CD1 3.58Å; F324-L328 HydrophobicContact CE2-CD1 4.13Å; F324-L328 HydrophobicContact CE2-CD2 4.41Å; F324-L328 HydrophobicContact CE2-CG 4.28Å; F324-L328 HydrophobicContact CG-CD1 4.42Å; F324-L328 HydrophobicContact CZ-CD1 3.65Å; F324-L328 HydrophobicContact CZ-CD2 4.48Å; F324-L328 HydrophobicContact CZ-CG 4.28Å; F324-L328 WeakPolarHBondContact O-CG 3.47Å; F324-L328 PolarHBondContact O-N 2.63Å; I325-L328 PolarHBondContact O-N 3.42Å; L328-T330 VanDerWaalsContact C-N 3.29Å; L328-T330 PolarHBondContact O-N 2.56Å; L328-L331 WeakPolarHBondContact O-CB 3.46Å; L328-L331 PolarHBondContact O-N 3.23Å; L328-E332 WeakPolarHBondContact O-CB 3.38Å; L328-E332 PolarHBondContact O-N 3.05Å
329	M	94.4	Very high	95.9	Very high	47 Å²	47	26.1 Å²	26.1	23%	0.232	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-41.1	175.5	-67.6	-76.1	-177	0	0	111.2	V266 R298 T301 I325 D333	V266-M329 HydrophobicContact CB-CE 4.49Å; V266-M329 HydrophobicContact CG1-CE 3.99Å; R298-M329 PolarHBondContact NH1-O 2.89Å; T301-M329 HydrophobicContact CG2-CE 4.02Å; T301-M329 HydrophobicContact CG2-SD 4.37Å; I325-M329 HydrophobicContact CG2-CE 4.18Å; I325-M329 HydrophobicContact CG2-CG 4.01Å; I325-M329 WeakPolarHBondContact O-CB 3.43Å; I325-M329 WeakPolarHBondContact O-CG 3.47Å; I325-M329 PolarHBondContact O-N 2.54Å; M329-D333 WeakPolarHBondContact O-CB 3.48Å; M329-D333 PolarHBondContact O-N 3.42Å
330	T	95.3	Very high	96	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-68.4	-38.1	177.4	-55.6	0	0	0	0	111.9	L250 T326 Y327 L328 H334 L422	L250-T330 HydrophobicContact CD1-CG2 3.91Å; L250-T330 HydrophobicContact CG-CG2 4.49Å; T326-T330 WeakPolarHBondContact O-CB 3.13Å; T326-T330 PolarHBondContact O-N 3.19Å; T326-T330 VanDerWaalsContact O-N 3.17Å; T326-T330 PolarHBondContact O-OG1 3.2Å; Y327-T330 CarbonylContact O-C 3.6Å; Y327-T330 PolarHBondContact O-N 2.92Å; L328-T330 VanDerWaalsContact C-N 3.29Å; L328-T330 PolarHBondContact O-N 2.56Å; T330-H334 PolarHBondContact O-ND1 3.42Å; T330-L422 HydrophobicContact CG2-CD1 4.38Å; T330-L422 HydrophobicContact CG2-CD2 4.06Å
331	L	97.4	Very high	96.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.3	-48.3	175.1	175.7	65.6	0	0	0	110.8	L300 Y327 L328 D333 H334 Y335 A380 I381 V384 L422	L300-L331 HydrophobicContact CD2-CD2 4.12Å; L300-L331 HydrophobicContact CD2-CG 4.21Å; Y327-L331 HydrophobicContact CE1-CB 4.31Å; Y327-L331 HydrophobicContact CE1-CD2 3.89Å; Y327-L331 WeakPolarHBondContact O-CB 3.33Å; Y327-L331 PolarHBondContact O-N 2.79Å; L328-L331 WeakPolarHBondContact O-CB 3.46Å; L328-L331 PolarHBondContact O-N 3.23Å; L331-D333 VanDerWaalsContact C-N 3.32Å; L331-D333 PolarHBondContact O-N 3.45Å; L331-H334 PolarHBondContact O-N 3.09Å; L331-Y335 HydrophobicContact CD1-CE2 4.4Å; L331-Y335 HydrophobicContact CG-CE2 4.39Å; L331-A380 HydrophobicContact CD2-CB 4.38Å; L331-A380 WeakPolarHBondContact CD2-O 2.99Å; L331-I381 HydrophobicContact CD1-CB 4.45Å; L331-I381 HydrophobicContact CD1-CG2 3.81Å; L331-I381 HydrophobicContact CD2-CG2 4.04Å; L331-V384 HydrophobicContact CD1-CB 4.01Å; L331-V384 HydrophobicContact CD1-CG1 4.37Å; L331-V384 HydrophobicContact CD1-CG2 3.71Å; L331-L422 HydrophobicContact CB-CD1 4.38Å; L331-L422 HydrophobicContact CD1-CD1 4.19Å
332	E	97.4	Very high	96.4	Very high	6 Å²	6	24 Å²	24	3%	0.028	14%	0.14	C	C	.	.	H	α-helix	trans	-66.7	-31.3	180	-171.2	156.5	-142.8	0	0	112.6	R298 P299 L300 T301 L328 H334 Y335 N344	R298-E332 VanDerWaalsContact CA-OE1 3.25Å; R298-E332 WeakPolarHBondContact CA-OE1 3.37Å; R298-E332 WeakPolarHBondContact CA-OE2 3.2Å; R298-E332 WeakPolarHBondContact CD-OE2 3.39Å; P299-E332 VanDerWaalsContact CD-OE1 3.31Å; P299-E332 WeakPolarHBondContact CD-OE1 3.11Å; L300-E332 HydrophobicContact CB-CG 4.38Å; L300-E332 WeakPolarHBondContact CB-OE1 3.45Å; L300-E332 PolarHBondContact N-OE1 2.78Å; T301-E332 WeakPolarHBondContact CB-OE2 3.49Å; T301-E332 PolarHBondContact N-OE2 2.87Å; T301-E332 VanDerWaalsContact N-OE2 3.1Å; T301-E332 PolarHBondContact OG1-OE2 2.96Å; L328-E332 WeakPolarHBondContact O-CB 3.38Å; L328-E332 PolarHBondContact O-N 3.05Å; E332-H334 PolarHBondContact O-N 3.22Å; E332-Y335 PolarHBondContact O-N 3.07Å; E332-N344 HydrophobicContact CG-CB 3.79Å; E332-N344 PolarHBondContact OE1-ND2 3.05Å
333	D	96.1	Very high	96.6	Very high	43 Å²	43	23.3 Å²	23.3	23%	0.23	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.1	170.4	-76.6	-6.4	0	0	0	114.2	K248 H252 R298 M329 L331	K248-D333 PolarHBondContact NZ-O 3.31Å; H252-D333 IonicContact CD2-OD2 3.46Å; H252-D333 PolarHBondContact CD2-OD2 3.35Å; H252-D333 IonicContact NE2-OD2 3.81Å; R298-D333 IonicContact CZ-OD1 2.67Å; R298-D333 IonicContact NH1-OD1 3.66Å; R298-D333 PolarHBondContact NH1-OD1 3.02Å; R298-D333 IonicContact NH2-OD1 3.15Å; R298-D333 PolarHBondContact NH2-OD1 3.44Å; M329-D333 WeakPolarHBondContact O-CB 3.48Å; M329-D333 PolarHBondContact O-N 3.42Å; L331-D333 VanDerWaalsContact C-N 3.32Å; L331-D333 PolarHBondContact O-N 3.45Å
334	H	96.9	Very high	96.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.009	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-5.6	176.6	-72.1	78.7	0	0	0	113.7	V247 K248 T330 L331 E332 H336 V384 D385 L422	V247-H334 WeakPolarHBondContact CA-NE2 3.3Å; K248-H334 PolarHBondContact N-NE2 2.91Å; T330-H334 PolarHBondContact O-ND1 3.42Å; L331-H334 PolarHBondContact O-N 3.09Å; E332-H334 PolarHBondContact O-N 3.22Å; H334-H336 PolarHBondContact O-CD2 3.41Å; H334-V384 HydrophobicContact CB-CG2 3.54Å; H334-D385 VanDerWaalsContact O-CA 3.23Å; H334-D385 WeakPolarHBondContact O-CA 3.33Å; H334-D385 PolarHBondContact O-N 3.27Å; H334-L422 HydrophobicContact CB-CD1 4.44Å
335	Y	98.2	Very high	96.9	Very high	8 Å²	8	23.8 Å²	23.8	3%	0.031	14%	0.138	C	C	.	.	S	Bend	trans	-77.3	145.4	161.1	-76.9	-88.5	0	0	0	110.1	L300 L331 E332 N343 N344 A347 A380 D383 V384	L300-Y335 HydrophobicContact CD2-CD2 3.98Å; L300-Y335 HydrophobicContact CD2-CE2 3.57Å; L331-Y335 HydrophobicContact CD1-CE2 4.4Å; L331-Y335 HydrophobicContact CG-CE2 4.39Å; E332-Y335 PolarHBondContact O-N 3.07Å; Y335-N343 VanDerWaalsContact CD1-C 3.44Å; Y335-N344 HydrophobicContact CD2-CB 4.42Å; Y335-N344 HydrophobicContact CG-CB 4.13Å; Y335-A347 HydrophobicContact CD1-CB 4.46Å; Y335-A347 HydrophobicContact CE1-CB 3.63Å; Y335-A347 HydrophobicContact CE2-CB 4.1Å; Y335-A347 VanDerWaalsContact CZ-CB 3.43Å; Y335-A347 WeakPolarHBondContact OH-CB 3.21Å; Y335-A380 PolarHBondContact OH-O 3.09Å; Y335-A380 VanDerWaalsContact OH-O 3.11Å; Y335-D383 HydrophobicContact CE1-CB 3.63Å; Y335-V384 HydrophobicContact CD2-CB 4.47Å; Y335-V384 HydrophobicContact CD2-CG2 4.22Å; Y335-V384 HydrophobicContact CE2-CB 3.84Å; Y335-V384 HydrophobicContact CE2-CG2 4.02Å; Y335-V384 PolarHBondContact OH-N 3.16Å
336	H	96.8	Very high	97.1	Very high	40 Å²	40	23.7 Å²	23.7	19%	0.185	14%	0.137	C	C	.	.			trans	-94.4	113.3	-171.7	-70.5	-152.6	0	0	0	109.4	H334 D338 V339 D385	H334-H336 PolarHBondContact O-CD2 3.41Å; H336-D338 PolarHBondContact O-N 3.41Å; H336-V339 HydrophobicContact CB-CB 4.03Å; H336-V339 HydrophobicContact CB-CG2 3.54Å; H336-V339 WeakPolarHBondContact O-CB 3.06Å; H336-V339 PolarHBondContact O-N 3.27Å; H336-V339 VanDerWaalsContact O-N 3.12Å; H336-D385 IonicContact CD2-OD1 3.75Å; H336-D385 IonicContact CE1-OD1 3.69Å; H336-D385 IonicContact NE2-OD1 2.76Å; H336-D385 PolarHBondContact NE2-OD1 3.05Å
337	A	94	Very high	97.3	Very high	90 Å²	90	22.4 Å²	22.4	74%	0.744	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-9	-177.4	0	0	0	0	0	113.8
338	D	95.3	Very high	97.3	Very high	133 Å²	133	22.4 Å²	22.4	71%	0.711	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	4.7	171.9	56	-52.6	0	0	0	113.5	H336	H336-D338 PolarHBondContact O-N 3.41Å
339	V	97.9	Very high	97.4	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.024	13%	0.13	C	C	.	.			trans	-101.1	126	172.3	173.1	0	0	0	0	108.8	H336 H342 N343 E521	H336-V339 HydrophobicContact CB-CB 4.03Å; H336-V339 HydrophobicContact CB-CG2 3.54Å; H336-V339 WeakPolarHBondContact O-CB 3.06Å; H336-V339 PolarHBondContact O-N 3.27Å; H336-V339 VanDerWaalsContact O-N 3.12Å; V339-H342 HydrophobicContact CG1-CB 4.1Å; V339-H342 WeakPolarHBondContact CG1-O 3.26Å; V339-N343 PolarHBondContact O-ND2 3.11Å; V339-E521 HydrophobicContact CG1-CG 4.41Å; V339-E521 WeakPolarHBondContact CG1-OE2 3.47Å
340	A	98.1	Very high	97.6	Very high	16 Å²	16	20.3 Å²	20.3	13%	0.132	12%	0.119	C	C	.	.	S	Bend	trans	-76.1	-37	-163.2	0	0	0	0	0	114	N343 R517 E520 E521	A340-N343 PolarHBondContact O-ND2 3.41Å; A340-R517 WeakPolarHBondContact O-CB 3.45Å; A340-R517 WeakPolarHBondContact O-CD 3.29Å; A340-R517 WeakPolarHBondContact O-CG 3.31Å; A340-R517 PolarHBondContact O-NH1 2.82Å; A340-E520 HydrophobicContact CB-CB 3.98Å; A340-E520 HydrophobicContact CB-CG 3.87Å; A340-E521 HydrophobicContact CB-CB 4.26Å
341	Y	98.7	Very high	97.8	Very high	13 Å²	13	20 Å²	20	5%	0.051	12%	0.118	C	C	.	.	S	Bend	trans	-110.4	-61.3	-179.5	176.1	-85.6	0	0	0	112	N343 H346 N503 W514 R517 I518 E521	Y341-N343 PolarHBondContact O-N 2.93Å; Y341-N343 PolarHBondContact O-ND2 2.89Å; Y341-H346 AromaticContact CE1-CD2 3.64Å; Y341-H346 AromaticContact CE1-CE1 3.78Å; Y341-H346 AromaticContact CE1-CG 3.83Å; Y341-H346 AromaticContact CE1-ND1 3.91Å; Y341-H346 AromaticContact CE1-NE2 3.61Å; Y341-H346 AromaticContact CZ-CE1 3.58Å; Y341-H346 AromaticContact CZ-CG 3.95Å; Y341-H346 AromaticContact CZ-ND1 3.59Å; Y341-H346 AromaticContact CZ-NE2 3.9Å; Y341-H346 WeakPolarHBondContact O-CB 3.3Å; Y341-H346 PolarHBondContact OH-CE1 3.06Å; Y341-H346 PolarHBondContact OH-ND1 3.33Å; Y341-N503 WeakPolarHBondContact CE2-ND2 3.28Å; Y341-N503 PolarHBondContact OH-ND2 3.38Å; Y341-W514 AromaticContact CD2-CE3 3.75Å; Y341-W514 HydrophobicContact CD2-CE3 3.75Å; Y341-W514 HydrophobicContact CD2-CZ3 4.34Å; Y341-W514 HydrophobicContact CE2-CB 4.42Å; Y341-W514 HydrophobicContact CE2-CD2 4.35Å; Y341-W514 AromaticContact CE2-CE3 3.82Å; Y341-W514 HydrophobicContact CE2-CE3 3.82Å; Y341-R517 HydrophobicContact CD2-CB 4.36Å; Y341-I518 HydrophobicContact CD1-CD1 3.79Å; Y341-I518 HydrophobicContact CD2-CB 3.8Å; Y341-I518 HydrophobicContact CD2-CD1 4.33Å; Y341-I518 HydrophobicContact CE1-CD1 4.33Å; Y341-I518 HydrophobicContact CE2-CB 4.37Å; Y341-I518 HydrophobicContact CG-CB 4.03Å; Y341-I518 HydrophobicContact CG-CD1 3.8Å; Y341-I518 HydrophobicContact CG-CG1 4.46Å; Y341-E521 WeakPolarHBondContact CA-OE2 3.45Å; Y341-E521 WeakPolarHBondContact CB-OE2 3.44Å; Y341-E521 PolarHBondContact N-OE2 3.48Å
342	H	98.8	Very high	97.9	Very high	38 Å²	38	20 Å²	20	18%	0.176	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	69	-173	-58.2	97.9	0	0	0	111.3	V339 D383 H386 E521	V339-H342 HydrophobicContact CG1-CB 4.1Å; V339-H342 WeakPolarHBondContact CG1-O 3.26Å; H342-D383 VanDerWaalsContact CB-OD2 3.28Å; H342-D383 WeakPolarHBondContact CB-OD2 3.37Å; H342-D383 IonicContact CD2-OD2 3.35Å; H342-D383 PolarHBondContact CD2-OD2 2.97Å; H342-D383 IonicContact CG-OD2 2.73Å; H342-H386 HydrophobicContact CB-CB 4.04Å; H342-H386 WeakPolarHBondContact CB-ND1 3.43Å; H342-H386 AromaticContact CE1-CE1 3.98Å; H342-H386 AromaticContact CG-CE1 3.58Å; H342-H386 AromaticContact CG-ND1 3.55Å; H342-H386 AromaticContact ND1-CE1 3.34Å; H342-H386 PolarHBondContact ND1-CE1 3Å; H342-H386 VanDerWaalsContact ND1-CE1 3.34Å; H342-H386 AromaticContact ND1-ND1 3.68Å; H342-E521 IonicContact CE1-OE1 3.73Å; H342-E521 IonicContact CG-OE1 2.67Å; H342-E521 PolarHBondContact N-OE2 2.98Å; H342-E521 VanDerWaalsContact ND1-CD 3.34Å; H342-E521 IonicContact ND1-OE1 2.75Å; H342-E521 PolarHBondContact ND1-OE1 2.79Å; H342-E521 IonicContact ND1-OE2 2.79Å; H342-E521 PolarHBondContact ND1-OE2 3.25Å
343	N	98.4	Very high	97.9	Very high	7 Å²	7	19.8 Å²	19.8	4%	0.037	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-174.2	-174.9	63.7	48.1	0	0	0	111.4	Y335 V339 A340 Y341 I345 H346 A347	Y335-N343 VanDerWaalsContact CD1-C 3.44Å; V339-N343 PolarHBondContact O-ND2 3.11Å; A340-N343 PolarHBondContact O-ND2 3.41Å; Y341-N343 PolarHBondContact O-N 2.93Å; Y341-N343 PolarHBondContact O-ND2 2.89Å; N343-I345 PolarHBondContact O-N 3.34Å; N343-I345 WeakPolarHBondContact OD1-CB 3.3Å; N343-I345 WeakPolarHBondContact OD1-CG1 3.49Å; N343-I345 PolarHBondContact OD1-N 3.38Å; N343-H346 PolarHBondContact O-N 2.81Å; N343-H346 VanDerWaalsContact O-N 3.14Å; N343-A347 PolarHBondContact O-N 3.01Å
344	N	98.4	Very high	98.1	Very high	8 Å²	8	17.7 Å²	17.7	4%	0.043	11%	0.105	C	C	.	.	H	α-helix	trans	-64.3	-20.8	-176.3	63.8	-39.2	0	0	0	114.4	N297 P299 L300 E332 Y335 A348	N297-N344 PolarHBondContact ND2-ND2 3.07Å; N297-N344 PolarHBondContact O-ND2 3.3Å; P299-N344 WeakPolarHBondContact CD-ND2 3.23Å; L300-N344 HydrophobicContact CB-CB 4.34Å; E332-N344 HydrophobicContact CG-CB 3.79Å; E332-N344 PolarHBondContact OE1-ND2 3.05Å; Y335-N344 HydrophobicContact CD2-CB 4.42Å; Y335-N344 HydrophobicContact CG-CB 4.13Å; N344-A348 VanDerWaalsContact O-CB 3.28Å; N344-A348 WeakPolarHBondContact O-CB 3.41Å; N344-A348 PolarHBondContact O-N 3.13Å; N344-A348 VanDerWaalsContact O-N 3.16Å
345	I	98.7	Very high	98.2	Very high	9 Å²	9	17.8 Å²	17.8	5%	0.046	11%	0.106	C	C	.	.	H	α-helix	trans	-73.5	-43.6	174.2	-42.8	179.4	0	0	0	109.8	L288 F289 P299 N343 A348 D349 W514	L288-I345 HydrophobicContact CB-CG2 4.13Å; F289-I345 HydrophobicContact CD1-CD1 4.42Å; F289-I345 HydrophobicContact CD1-CG2 3.86Å; F289-I345 HydrophobicContact CE1-CG2 4Å; P299-I345 HydrophobicContact CG-CB 4.45Å; P299-I345 HydrophobicContact CG-CG1 4.17Å; N343-I345 PolarHBondContact O-N 3.34Å; N343-I345 WeakPolarHBondContact OD1-CB 3.3Å; N343-I345 WeakPolarHBondContact OD1-CG1 3.49Å; N343-I345 PolarHBondContact OD1-N 3.38Å; I345-A348 WeakPolarHBondContact O-CB 3.23Å; I345-A348 PolarHBondContact O-N 2.61Å; I345-D349 PolarHBondContact O-N 2.87Å; I345-W514 HydrophobicContact CB-CH2 4.01Å; I345-W514 HydrophobicContact CG2-CH2 3.77Å; I345-W514 HydrophobicContact CG2-CZ2 4.33Å
346	H	98.8	Very high	98.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-66.4	-47.7	178.1	172.7	54.2	0	0	0	110.8	Y341 N343 A348 D349 V350 H382 D383 D500 W514	Y341-H346 AromaticContact CE1-CD2 3.64Å; Y341-H346 AromaticContact CE1-CE1 3.78Å; Y341-H346 AromaticContact CE1-CG 3.83Å; Y341-H346 AromaticContact CE1-ND1 3.91Å; Y341-H346 AromaticContact CE1-NE2 3.61Å; Y341-H346 AromaticContact CZ-CE1 3.58Å; Y341-H346 AromaticContact CZ-CG 3.95Å; Y341-H346 AromaticContact CZ-ND1 3.59Å; Y341-H346 AromaticContact CZ-NE2 3.9Å; Y341-H346 WeakPolarHBondContact O-CB 3.3Å; Y341-H346 PolarHBondContact OH-CE1 3.06Å; Y341-H346 PolarHBondContact OH-ND1 3.33Å; N343-H346 PolarHBondContact O-N 2.81Å; N343-H346 VanDerWaalsContact O-N 3.14Å; H346-A348 PolarHBondContact O-N 2.74Å; H346-D349 WeakPolarHBondContact O-CA 3.48Å; H346-D349 PolarHBondContact O-N 3.47Å; H346-V350 WeakPolarHBondContact CE1-CG2 3.29Å; H346-V350 WeakPolarHBondContact O-CG2 3.46Å; H346-V350 PolarHBondContact O-N 2.89Å; H346-H382 AromaticContact NE2-CE1 3.99Å; H346-H382 AromaticContact NE2-NE2 3.52Å; H346-D383 IonicContact CD2-OD2 3.81Å; H346-D383 PolarHBondContact CD2-OD2 2.94Å; H346-D383 IonicContact NE2-OD2 2.77Å; H346-D500 IonicContact CE1-OD1 2.66Å; H346-D500 IonicContact NE2-OD1 2.62Å; H346-W514 HydrophobicContact CB-CH2 3.96Å; H346-W514 HydrophobicContact CB-CZ3 3.96Å
347	A	98.8	Very high	98.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-55.1	-37.2	173.6	0	0	0	0	0	112.7	L300 Y335 N343 T351	L300-A347 HydrophobicContact CD1-CB 4.18Å; L300-A347 HydrophobicContact CD2-CB 4.14Å; Y335-A347 HydrophobicContact CD1-CB 4.46Å; Y335-A347 HydrophobicContact CE1-CB 3.63Å; Y335-A347 HydrophobicContact CE2-CB 4.1Å; Y335-A347 VanDerWaalsContact CZ-CB 3.43Å; Y335-A347 WeakPolarHBondContact OH-CB 3.21Å; N343-A347 PolarHBondContact O-N 3.01Å; A347-T351 VanDerWaalsContact O-CB 3.32Å; A347-T351 WeakPolarHBondContact O-CB 3.5Å; A347-T351 PolarHBondContact O-N 3.26Å; A347-T351 PolarHBondContact O-OG1 2.7Å
348	A	98.8	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68	-37.7	174.7	0	0	0	0	0	113.1	L288 P299 L300 M303 N344 I345 H346 Q352	L288-A348 HydrophobicContact CD1-CB 3.83Å; P299-A348 HydrophobicContact CB-CB 3.9Å; P299-A348 HydrophobicContact CG-CB 4.32Å; L300-A348 HydrophobicContact CB-CB 4.28Å; L300-A348 HydrophobicContact CD1-CB 4.47Å; M303-A348 HydrophobicContact CB-CB 4.45Å; M303-A348 HydrophobicContact CG-CB 3.9Å; N344-A348 VanDerWaalsContact O-CB 3.28Å; N344-A348 WeakPolarHBondContact O-CB 3.41Å; N344-A348 PolarHBondContact O-N 3.13Å; N344-A348 VanDerWaalsContact O-N 3.16Å; I345-A348 WeakPolarHBondContact O-CB 3.23Å; I345-A348 PolarHBondContact O-N 2.61Å; H346-A348 PolarHBondContact O-N 2.74Å; A348-Q352 WeakPolarHBondContact O-CB 3.46Å; A348-Q352 PolarHBondContact O-N 3.35Å
349	D	98.9	Very high	98.5	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.016	6%	0.061	C	C	.	.	H	α-helix	trans	-69.1	-42.7	176.6	-164.5	19.3	0	0	0	111.5	L288 I345 H346 Q352 S353 K506 W514	L288-D349 HydrophobicContact CB-CB 4.49Å; L288-D349 HydrophobicContact CD2-CB 4.21Å; L288-D349 HydrophobicContact CG-CB 3.9Å; I345-D349 PolarHBondContact O-N 2.87Å; H346-D349 WeakPolarHBondContact O-CA 3.48Å; H346-D349 PolarHBondContact O-N 3.47Å; D349-Q352 PolarHBondContact O-N 3.07Å; D349-S353 WeakPolarHBondContact O-CB 3.39Å; D349-S353 PolarHBondContact O-N 3.33Å; D349-S353 PolarHBondContact O-OG 3.02Å; D349-K506 IonicContact OD1-NZ 3.41Å; D349-K506 PolarHBondContact OD1-NZ 3.03Å; D349-K506 IonicContact OD2-NZ 2.77Å; D349-K506 PolarHBondContact OD2-NZ 3.14Å; D349-W514 HydrophobicContact CB-CZ2 3.82Å; D349-W514 PolarHBondContact OD2-NE1 2.89Å
350	V	98.9	Very high	98.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.8	-45.5	173.6	-176.9	0	0	0	0	110.7	H346 Q352 S353 T354 V496 A499 D500	H346-V350 WeakPolarHBondContact CE1-CG2 3.29Å; H346-V350 WeakPolarHBondContact O-CG2 3.46Å; H346-V350 PolarHBondContact O-N 2.89Å; V350-Q352 VanDerWaalsContact C-N 3.34Å; V350-Q352 PolarHBondContact O-N 2.92Å; V350-S353 PolarHBondContact O-N 3.26Å; V350-T354 WeakPolarHBondContact O-CB 3.32Å; V350-T354 PolarHBondContact O-N 2.98Å; V350-T354 PolarHBondContact O-OG1 3.37Å; V350-T354 VanDerWaalsContact O-OG1 3.08Å; V350-V496 HydrophobicContact CG1-CG1 4.4Å; V350-A499 HydrophobicContact CG1-CB 3.96Å; V350-D500 HydrophobicContact CG1-CB 4.48Å; V350-D500 HydrophobicContact CG2-CB 4.43Å
351	T	98.9	Very high	98.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59	-41.7	175.5	-64.2	0	0	0	0	112.6	M304 I307 A347 H355 I376 A380	M304-T351 HydrophobicContact CG-CG2 4.21Å; M304-T351 HydrophobicContact SD-CG2 3.72Å; I307-T351 HydrophobicContact CD1-CG2 3.93Å; A347-T351 VanDerWaalsContact O-CB 3.32Å; A347-T351 WeakPolarHBondContact O-CB 3.5Å; A347-T351 PolarHBondContact O-N 3.26Å; A347-T351 PolarHBondContact O-OG1 2.7Å; T351-H355 WeakPolarHBondContact O-CB 3.24Å; T351-H355 PolarHBondContact O-N 2.9Å; T351-I376 HydrophobicContact CG2-CG2 3.96Å; T351-A380 VanDerWaalsContact OG1-CA 3.24Å; T351-A380 WeakPolarHBondContact OG1-CA 3.41Å; T351-A380 PolarHBondContact OG1-N 2.66Å
352	Q	98.8	Very high	97.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-75.3	-36	178.6	-170.6	-93.3	-20.3	0	0	112.5	V281 K283 L286 M303 I307 A348 D349 V350 H355 V356	V281-Q352 HydrophobicContact CG2-CG 4.42Å; V281-Q352 PolarHBondContact O-NE2 2.95Å; K283-Q352 PolarHBondContact O-NE2 2.68Å; L286-Q352 HydrophobicContact CD2-CG 3.64Å; M303-Q352 HydrophobicContact CG-CB 4.48Å; M303-Q352 HydrophobicContact SD-CB 4.17Å; M303-Q352 HydrophobicContact SD-CG 4.18Å; I307-Q352 HydrophobicContact CD1-CB 4.45Å; A348-Q352 WeakPolarHBondContact O-CB 3.46Å; A348-Q352 PolarHBondContact O-N 3.35Å; D349-Q352 PolarHBondContact O-N 3.07Å; V350-Q352 VanDerWaalsContact C-N 3.34Å; V350-Q352 PolarHBondContact O-N 2.92Å; Q352-H355 CarbonylContact O-C 3.48Å; Q352-H355 WeakPolarHBondContact O-CA 3.22Å; Q352-H355 WeakPolarHBondContact O-CB 3.24Å; Q352-H355 PolarHBondContact O-N 2.8Å; Q352-H355 VanDerWaalsContact O-N 3.16Å; Q352-V356 PolarHBondContact O-N 3.33Å
353	S	98.8	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.2	-47.9	174.7	-61	0	0	0	0	110.9	D349 V350 H355 V356 L357 K506	D349-S353 WeakPolarHBondContact O-CB 3.39Å; D349-S353 PolarHBondContact O-N 3.33Å; D349-S353 PolarHBondContact O-OG 3.02Å; V350-S353 PolarHBondContact O-N 3.26Å; S353-H355 VanDerWaalsContact C-N 3.28Å; S353-H355 PolarHBondContact O-N 2.97Å; S353-V356 PolarHBondContact O-N 3.33Å; S353-V356 VanDerWaalsContact O-N 3.07Å; S353-L357 WeakPolarHBondContact O-CG 3.36Å; S353-L357 PolarHBondContact O-N 2.94Å; S353-K506 WeakPolarHBondContact OG-CE 3.47Å; S353-K506 PolarHBondContact OG-NZ 3.15Å
354	T	98.9	Very high	97.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.7	-39.5	170.7	-61.5	0	0	0	0	111.6	V350 V356 L357 L358 A375 S379 M495 V496 A499	V350-T354 WeakPolarHBondContact O-CB 3.32Å; V350-T354 PolarHBondContact O-N 2.98Å; V350-T354 PolarHBondContact O-OG1 3.37Å; V350-T354 VanDerWaalsContact O-OG1 3.08Å; T354-V356 VanDerWaalsContact C-N 3.33Å; T354-V356 PolarHBondContact O-N 3.31Å; T354-L357 PolarHBondContact O-N 2.89Å; T354-L358 HydrophobicContact CG2-CD1 3.95Å; T354-L358 HydrophobicContact CG2-CG 4.29Å; T354-L358 WeakPolarHBondContact O-CB 3.31Å; T354-L358 VanDerWaalsContact O-CG 3.26Å; T354-L358 WeakPolarHBondContact O-CG 3.44Å; T354-L358 PolarHBondContact O-N 3.33Å; T354-A375 HydrophobicContact CG2-CB 4.12Å; T354-S379 WeakPolarHBondContact CB-OG 3.33Å; T354-S379 PolarHBondContact OG1-OG 3.4Å; T354-M495 HydrophobicContact CG2-SD 4.35Å; T354-V496 HydrophobicContact CG2-CG2 3.97Å; T354-A499 WeakPolarHBondContact OG1-CB 3.41Å
355	H	98.6	Very high	97	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.019	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-34	175	167	85.2	0	0	0	113.2	N282 I307 E310 R311 T351 Q352 S353	N282-H355 CovalentContact OD1-NE2 1.8Å; N282-H355 PolarHBondContact OD1-NE2 3.06Å; I307-H355 HydrophobicContact CD1-CB 3.75Å; I307-H355 HydrophobicContact CG1-CB 4.07Å; I307-H355 HydrophobicContact CG2-CB 4.23Å; E310-H355 VanDerWaalsContact CG-CE1 3.4Å; E310-H355 WeakPolarHBondContact CG-CE1 3.18Å; R311-H355 WeakPolarHBondContact CG-CE1 3.26Å; R311-H355 PolarHBondContact NE-CE1 3.46Å; R311-H355 VanDerWaalsContact NE-CE1 3.35Å; R311-H355 PolarHBondContact NE-ND1 3.35Å; R311-H355 PolarHBondContact NH2-O 3.49Å; T351-H355 WeakPolarHBondContact O-CB 3.24Å; T351-H355 PolarHBondContact O-N 2.9Å; Q352-H355 CarbonylContact O-C 3.48Å; Q352-H355 WeakPolarHBondContact O-CA 3.22Å; Q352-H355 WeakPolarHBondContact O-CB 3.24Å; Q352-H355 PolarHBondContact O-N 2.8Å; Q352-H355 VanDerWaalsContact O-N 3.16Å; S353-H355 VanDerWaalsContact C-N 3.28Å; S353-H355 PolarHBondContact O-N 2.97Å
356	V	98.6	Very high	96.8	Very high	24 Å²	24	23 Å²	23	15%	0.145	15%	0.145	C	C	.	.	H	α-helix	trans	-72.1	-44.5	173.9	176.8	0	0	0	0	111	W284 Q352 S353 T354 L358 S359	W284-V356 HydrophobicContact CE3-CB 4.07Å; W284-V356 HydrophobicContact CE3-CG1 3.97Å; W284-V356 HydrophobicContact CZ3-CB 4.36Å; Q352-V356 PolarHBondContact O-N 3.33Å; S353-V356 PolarHBondContact O-N 3.33Å; S353-V356 VanDerWaalsContact O-N 3.07Å; T354-V356 VanDerWaalsContact C-N 3.33Å; T354-V356 PolarHBondContact O-N 3.31Å; V356-L358 VanDerWaalsContact C-N 3.29Å; V356-L358 PolarHBondContact O-N 3.47Å; V356-S359 WeakPolarHBondContact O-CA 3.45Å; V356-S359 WeakPolarHBondContact O-CB 3.37Å; V356-S359 PolarHBondContact O-N 3.46Å
357	L	98.4	Very high	96.7	Very high	3 Å²	3	24 Å²	24	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-65.2	-29	178.2	-62	176.5	0	0	0	113.1	W284 S353 T354 S359 T360 M495 C498 A499 W563 W566	W284-L357 HydrophobicContact CZ3-CD2 4.34Å; W284-L357 HydrophobicContact CZ3-CG 4.2Å; S353-L357 WeakPolarHBondContact O-CG 3.36Å; S353-L357 PolarHBondContact O-N 2.94Å; T354-L357 PolarHBondContact O-N 2.89Å; L357-S359 PolarHBondContact O-N 2.94Å; L357-T360 WeakPolarHBondContact O-CB 2.99Å; L357-T360 PolarHBondContact O-N 2.88Å; L357-T360 PolarHBondContact O-OG1 3.22Å; L357-M495 HydrophobicContact CB-CE 4.15Å; L357-M495 HydrophobicContact CB-CG 3.62Å; L357-M495 HydrophobicContact CB-SD 3.91Å; L357-M495 HydrophobicContact CD1-CG 3.88Å; L357-M495 HydrophobicContact CG-CG 4.41Å; L357-M495 WeakPolarHBondContact O-CE 3.47Å; L357-C498 HydrophobicContact CD1-CB 4.31Å; L357-A499 HydrophobicContact CD1-CB 4.4Å; L357-W563 HydrophobicContact CD1-CH2 4.15Å; L357-W563 HydrophobicContact CD2-CH2 4.16Å; L357-W563 HydrophobicContact CD2-CZ3 4.21Å; L357-W566 HydrophobicContact CB-CZ2 4.35Å; L357-W566 HydrophobicContact CD2-CZ2 4.33Å
358	L	98	Very high	96.7	Very high	15 Å²	15	27.5 Å²	27.5	8%	0.079	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	1.9	169.2	-74	171.7	0	0	0	114.1	R311 T354 V356 F367 I372 A375 I376 L492 M495	R311-L358 PolarHBondContact NH1-O 2.94Å; R311-L358 VanDerWaalsContact NH2-C 3.3Å; R311-L358 PolarHBondContact NH2-O 3.3Å; T354-L358 HydrophobicContact CG2-CD1 3.95Å; T354-L358 HydrophobicContact CG2-CG 4.29Å; T354-L358 WeakPolarHBondContact O-CB 3.31Å; T354-L358 VanDerWaalsContact O-CG 3.26Å; T354-L358 WeakPolarHBondContact O-CG 3.44Å; T354-L358 PolarHBondContact O-N 3.33Å; V356-L358 VanDerWaalsContact C-N 3.29Å; V356-L358 PolarHBondContact O-N 3.47Å; L358-F367 HydrophobicContact CD2-CD2 4.09Å; L358-I372 HydrophobicContact CD1-CG2 4.34Å; L358-I372 HydrophobicContact CD2-CG1 4.34Å; L358-A375 HydrophobicContact CD1-CB 4.24Å; L358-I376 HydrophobicContact CD1-CD1 3.91Å; L358-I376 HydrophobicContact CD1-CG1 3.63Å; L358-L492 HydrophobicContact CD2-CD2 4.08Å; L358-M495 HydrophobicContact CB-SD 4.48Å; L358-M495 HydrophobicContact CD2-CE 3.99Å; L358-M495 HydrophobicContact CD2-SD 3.54Å; L358-M495 VanDerWaalsContact CD2-SD 3.54Å; L358-M495 HydrophobicContact CG-CE 4.38Å; L358-M495 HydrophobicContact CG-SD 3.57Å; L358-M495 VanDerWaalsContact CG-SD 3.57Å
359	S	96.4	Very high	96.6	Very high	69 Å²	69	31.5 Å²	31.5	48%	0.483	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	4.3	173.4	-66.4	0	0	0	0	113.4	R311 V356 L357	R311-S359 PolarHBondContact NH2-OG 2.84Å; V356-S359 WeakPolarHBondContact O-CA 3.45Å; V356-S359 WeakPolarHBondContact O-CB 3.37Å; V356-S359 PolarHBondContact O-N 3.46Å; L357-S359 PolarHBondContact O-N 2.94Å
360	T	95.3	Very high	96.6	Very high	14 Å²	14	32.5 Å²	32.5	9%	0.086	20%	0.198	C	C	.	.			trans	-57.4	124.3	174.8	-68.5	0	0	0	0	111	L357 A362 L363 E364 V570 D573	L357-T360 WeakPolarHBondContact O-CB 2.99Å; L357-T360 PolarHBondContact O-N 2.88Å; L357-T360 PolarHBondContact O-OG1 3.22Å; T360-A362 VanDerWaalsContact C-N 3.34Å; T360-A362 HydrophobicContact CG2-CB 4.32Å; T360-A362 PolarHBondContact O-N 3.49Å; T360-L363 HydrophobicContact CG2-CD1 4.4Å; T360-L363 HydrophobicContact CG2-CG 4.3Å; T360-L363 CarbonylContact O-C 3.5Å; T360-L363 WeakPolarHBondContact O-CA 3.29Å; T360-L363 WeakPolarHBondContact O-CB 3.45Å; T360-L363 PolarHBondContact O-N 2.98Å; T360-E364 PolarHBondContact O-N 3.06Å; T360-V570 HydrophobicContact CG2-CB 3.7Å; T360-V570 HydrophobicContact CG2-CG1 3.98Å; T360-V570 HydrophobicContact CG2-CG2 3.98Å; T360-D573 HydrophobicContact CG2-CB 3.66Å; T360-D573 VanDerWaalsContact CG2-OD2 3.28Å; T360-D573 WeakPolarHBondContact CG2-OD2 3.31Å
361	P	94.4	Very high	96.6	Very high	78 Å²	78	33.1 Å²	33.1	51%	0.506	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-50.2	-42.1	-178.1	-30.7	33.6	0	0	0	115.7	L363 E364 D573	P361-L363 PolarHBondContact O-N 3.06Å; P361-E364 WeakPolarHBondContact O-CB 3.18Å; P361-E364 PolarHBondContact O-N 3.43Å; P361-D573 WeakPolarHBondContact CB-OD2 3.48Å; P361-D573 VanDerWaalsContact CD-OD2 3.24Å; P361-D573 WeakPolarHBondContact CD-OD2 3.35Å
362	A	92.3	Very high	96.6	Very high	10 Å²	10	34.2 Å²	34.2	8%	0.083	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60	-15.3	175.5	0	0	0	0	0	113.9	T360 L480 V570 D573	T360-A362 VanDerWaalsContact C-N 3.34Å; T360-A362 HydrophobicContact CG2-CB 4.32Å; T360-A362 PolarHBondContact O-N 3.49Å; A362-L480 WeakPolarHBondContact O-CB 3.44Å; A362-L480 PolarHBondContact O-N 3.29Å; A362-V570 HydrophobicContact CB-CB 3.98Å; A362-V570 HydrophobicContact CB-CG1 4.42Å; A362-D573 WeakPolarHBondContact CB-OD2 3.45Å; A362-D573 PolarHBondContact N-OD2 3.48Å
363	L	94.2	Very high	96.6	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.037	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-110.5	8.3	178.8	-55.3	177.2	0	0	0	112.8	T360 P361 A365 V366 F367 L480 M495 W566 V570	T360-L363 HydrophobicContact CG2-CD1 4.4Å; T360-L363 HydrophobicContact CG2-CG 4.3Å; T360-L363 CarbonylContact O-C 3.5Å; T360-L363 WeakPolarHBondContact O-CA 3.29Å; T360-L363 WeakPolarHBondContact O-CB 3.45Å; T360-L363 PolarHBondContact O-N 2.98Å; P361-L363 PolarHBondContact O-N 3.06Å; L363-A365 PolarHBondContact O-N 2.83Å; L363-V366 WeakPolarHBondContact O-CB 3.25Å; L363-V366 WeakPolarHBondContact O-CG2 3.49Å; L363-V366 PolarHBondContact O-N 3.32Å; L363-V366 VanDerWaalsContact O-N 3.16Å; L363-F367 HydrophobicContact CB-CE2 4.28Å; L363-F367 HydrophobicContact CD1-CE2 4.27Å; L363-F367 HydrophobicContact CD2-CE2 4.39Å; L363-L480 HydrophobicContact CD2-CB 4.21Å; L363-L480 HydrophobicContact CD2-CD2 3.73Å; L363-M495 HydrophobicContact CD1-CE 3.48Å; L363-M495 VanDerWaalsContact CD1-CE 3.48Å; L363-W566 HydrophobicContact CD1-CH2 4.09Å; L363-W566 HydrophobicContact CD1-CZ2 4.09Å; L363-V570 HydrophobicContact CD1-CG1 4.15Å; L363-V570 HydrophobicContact CD2-CG1 4.41Å; L363-V570 HydrophobicContact CG-CG1 4.19Å
364	E	91.4	Very high	96.6	Very high	141 Å²	141	34.2 Å²	34.2	66%	0.659	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	130.6	179.1	-172.4	-180	-170	0	0	111.6	T360 P361 V366 V479	T360-E364 PolarHBondContact O-N 3.06Å; P361-E364 WeakPolarHBondContact O-CB 3.18Å; P361-E364 PolarHBondContact O-N 3.43Å; E364-V366 PolarHBondContact O-N 2.79Å; E364-V479 WeakPolarHBondContact O-CG1 3.16Å
365	A	91.1	Very high	96.6	Very high	101 Å²	101	34.2 Å²	34.2	84%	0.835	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	8.2	-177.2	0	0	0	0	0	116	L363	L363-A365 PolarHBondContact O-N 2.83Å
366	V	94.4	Very high	96.6	Very high	14 Å²	14	34 Å²	34	9%	0.085	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-48.2	177.6	176.5	0	0	0	0	110.4	L363 E364 V479 L480 L482 R488	L363-V366 WeakPolarHBondContact O-CB 3.25Å; L363-V366 WeakPolarHBondContact O-CG2 3.49Å; L363-V366 PolarHBondContact O-N 3.32Å; L363-V366 VanDerWaalsContact O-N 3.16Å; E364-V366 PolarHBondContact O-N 2.79Å; V366-V479 HydrophobicContact CG2-CG1 3.67Å; V366-L480 VanDerWaalsContact CG2-O 3.27Å; V366-L480 WeakPolarHBondContact CG2-O 3.46Å; V366-L482 HydrophobicContact CG1-CB 4.23Å; V366-L482 HydrophobicContact CG1-CD1 3.68Å; V366-L482 HydrophobicContact CG1-CG 3.97Å; V366-R488 PolarHBondContact O-NH1 2.79Å; V366-R488 PolarHBondContact O-NH2 2.89Å
367	F	97.2	Very high	96.6	Very high	20 Å²	20	32.9 Å²	32.9	9%	0.088	20%	0.198	C	C	.	.	S	Bend	trans	-91.5	144.2	-176.8	-59.5	-66.9	0	0	0	113.2	L358 L363 E371 I372 L482 R488 V491 L492 M495	L358-F367 HydrophobicContact CD2-CD2 4.09Å; L363-F367 HydrophobicContact CB-CE2 4.28Å; L363-F367 HydrophobicContact CD1-CE2 4.27Å; L363-F367 HydrophobicContact CD2-CE2 4.39Å; F367-E371 HydrophobicContact CB-CB 4.21Å; F367-E371 HydrophobicContact CD1-CB 4.34Å; F367-I372 HydrophobicContact CB-CD1 4.39Å; F367-I372 HydrophobicContact CB-CG1 3.96Å; F367-L482 HydrophobicContact CE1-CD1 4.18Å; F367-L482 HydrophobicContact CZ-CD1 4.11Å; F367-R488 HydrophobicContact CE1-CB 4.49Å; F367-V491 HydrophobicContact CE2-CG1 4.46Å; F367-V491 HydrophobicContact CZ-CB 4.08Å; F367-V491 HydrophobicContact CZ-CG1 3.77Å; F367-L492 HydrophobicContact CD1-CD1 3.99Å; F367-L492 HydrophobicContact CD1-CD2 3.83Å; F367-L492 HydrophobicContact CD1-CG 4.02Å; F367-L492 HydrophobicContact CD2-CD2 4.28Å; F367-L492 HydrophobicContact CE1-CD1 3.96Å; F367-L492 HydrophobicContact CE1-CD2 3.64Å; F367-L492 HydrophobicContact CE1-CG 3.59Å; F367-L492 HydrophobicContact CE2-CD2 4.1Å; F367-L492 HydrophobicContact CG-CD2 4.15Å; F367-L492 HydrophobicContact CZ-CD2 3.79Å; F367-L492 HydrophobicContact CZ-CG 4.05Å; F367-M495 HydrophobicContact CE2-CE 4.13Å
368	T	97.6	Very high	96.6	Very high	74 Å²	74	32.7 Å²	32.7	45%	0.454	20%	0.197	S	C	.	.			trans	-80.3	158.7	170.8	66.4	0	0	0	0	111.1	L370 E371 I372	T368-L370 PolarHBondContact O-N 3.28Å; T368-E371 VanDerWaalsContact CB-OE2 3.27Å; T368-E371 WeakPolarHBondContact CB-OE2 3.4Å; T368-E371 WeakPolarHBondContact CG2-OE2 3.36Å; T368-E371 PolarHBondContact N-OE2 3.48Å; T368-E371 WeakPolarHBondContact O-CB 3.34Å; T368-E371 PolarHBondContact O-N 3.19Å; T368-E371 PolarHBondContact OG1-OE2 2.78Å; T368-I372 WeakPolarHBondContact O-CG1 3.25Å; T368-I372 PolarHBondContact O-N 2.85Å
369	D	98.3	Very high	96.7	Very high	85 Å²	85	32 Å²	32	46%	0.455	19%	0.194	S	C	.	.	H	α-helix	trans	-48.7	-31.4	174.4	-49.7	-37.4	0	0	0	113.5	T316 F317 L373	T316-D369 HydrophobicContact CG2-CB 4.02Å; F317-D369 HydrophobicContact CE2-CB 3.75Å; F317-D369 WeakPolarHBondContact CE2-O 3.27Å; F317-D369 VanDerWaalsContact CZ-C 3.49Å; F317-D369 HydrophobicContact CZ-CB 3.51Å; F317-D369 WeakPolarHBondContact CZ-O 3.45Å; D369-L373 WeakPolarHBondContact O-CB 3.33Å; D369-L373 PolarHBondContact O-N 2.92Å
370	L	98.4	Very high	96.8	Very high	23 Å²	23	28.7 Å²	28.7	12%	0.12	17%	0.171	C	C	.	.	H	α-helix	trans	-79.6	-31.1	-177.5	-167.9	73.1	0	0	0	112.4	F317 T368 A374 L434 Q438 L442 M445	F317-L370 HydrophobicContact CE1-CD1 3.96Å; F317-L370 HydrophobicContact CZ-CB 4.25Å; F317-L370 HydrophobicContact CZ-CD1 4.17Å; T368-L370 PolarHBondContact O-N 3.28Å; L370-A374 VanDerWaalsContact O-CB 3.27Å; L370-A374 WeakPolarHBondContact O-CB 3.45Å; L370-A374 PolarHBondContact O-N 2.85Å; L370-L434 HydrophobicContact CD1-CD1 4.38Å; L370-Q438 HydrophobicContact CD1-CB 4.14Å; L370-Q438 HydrophobicContact CD1-CG 4.4Å; L370-Q438 HydrophobicContact CD2-CB 4.16Å; L370-Q438 HydrophobicContact CD2-CG 4.08Å; L370-L442 HydrophobicContact CD1-CB 4.24Å; L370-L442 HydrophobicContact CD1-CD1 4.13Å; L370-L442 HydrophobicContact CG-CB 4.49Å; L370-M445 HydrophobicContact CD2-CE 4.29Å; L370-M445 HydrophobicContact CG-CE 4.07Å; L370-M445 WeakPolarHBondContact O-CE 3.48Å
371	E	98.6	Very high	97	Very high	14 Å²	14	28 Å²	28	7%	0.065	17%	0.167	C	C	.	.	H	α-helix	trans	-74	-43.9	172.2	-75.3	152.1	139.6	0	0	110.1	F367 T368 A374 A375 M445 R488 L492	F367-E371 HydrophobicContact CB-CB 4.21Å; F367-E371 HydrophobicContact CD1-CB 4.34Å; T368-E371 VanDerWaalsContact CB-OE2 3.27Å; T368-E371 WeakPolarHBondContact CB-OE2 3.4Å; T368-E371 WeakPolarHBondContact CG2-OE2 3.36Å; T368-E371 PolarHBondContact N-OE2 3.48Å; T368-E371 WeakPolarHBondContact O-CB 3.34Å; T368-E371 PolarHBondContact O-N 3.19Å; T368-E371 PolarHBondContact OG1-OE2 2.78Å; E371-A374 PolarHBondContact O-N 2.74Å; E371-A374 VanDerWaalsContact O-N 3.13Å; E371-A375 PolarHBondContact O-N 2.69Å; E371-M445 HydrophobicContact CB-SD 4.48Å; E371-M445 HydrophobicContact CG-CE 4.06Å; E371-M445 HydrophobicContact CG-SD 3.51Å; E371-M445 VanDerWaalsContact CG-SD 3.51Å; E371-R488 VanDerWaalsContact CD-NH2 3.32Å; E371-R488 IonicContact OE1-CZ 3.43Å; E371-R488 IonicContact OE1-NE 3.28Å; E371-R488 PolarHBondContact OE1-NE 3.03Å; E371-R488 IonicContact OE1-NH2 2.73Å; E371-R488 PolarHBondContact OE1-NH2 3.31Å; E371-R488 IonicContact OE2-CZ 3.55Å; E371-R488 IonicContact OE2-NE 3.64Å; E371-R488 IonicContact OE2-NH2 2.74Å; E371-R488 PolarHBondContact OE2-NH2 2.84Å; E371-L492 HydrophobicContact CB-CD1 3.88Å; E371-L492 HydrophobicContact CG-CD1 4.15Å
372	I	98.7	Very high	97.2	Very high	22 Å²	22	24.4 Å²	24.4	11%	0.113	14%	0.143	C	C	.	.	H	α-helix	trans	-56.2	-50.8	171.7	-69.6	168.5	0	0	0	110.6	L313 L358 F367 T368 A374 A375 I376	L313-I372 HydrophobicContact CD2-CG2 4.22Å; L358-I372 HydrophobicContact CD1-CG2 4.34Å; L358-I372 HydrophobicContact CD2-CG1 4.34Å; F367-I372 HydrophobicContact CB-CD1 4.39Å; F367-I372 HydrophobicContact CB-CG1 3.96Å; T368-I372 WeakPolarHBondContact O-CG1 3.25Å; T368-I372 PolarHBondContact O-N 2.85Å; I372-A374 VanDerWaalsContact C-N 3.3Å; I372-A374 PolarHBondContact O-N 2.63Å; I372-A375 PolarHBondContact O-N 2.79Å; I372-I376 HydrophobicContact CG2-CD1 3.72Å; I372-I376 WeakPolarHBondContact O-CD1 3.27Å; I372-I376 VanDerWaalsContact O-CG1 3.29Å; I372-I376 WeakPolarHBondContact O-CG1 3.16Å; I372-I376 PolarHBondContact O-N 2.88Å; I372-I376 VanDerWaalsContact O-N 3.11Å
373	L	98.8	Very high	97.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-40	175.2	176.2	64.2	0	0	0	112.1	F308 L313 F317 D369 F377 F431 L442	F308-L373 HydrophobicContact CE1-CD1 3.47Å; F308-L373 VanDerWaalsContact CE1-CD1 3.47Å; F308-L373 HydrophobicContact CE2-CD1 4.49Å; F308-L373 HydrophobicContact CZ-CD1 3.4Å; F308-L373 VanDerWaalsContact CZ-CD1 3.4Å; L313-L373 HydrophobicContact CD1-CD1 4.4Å; F317-L373 HydrophobicContact CD1-CD2 4.4Å; F317-L373 HydrophobicContact CD2-CB 4.44Å; F317-L373 HydrophobicContact CD2-CD2 3.6Å; F317-L373 HydrophobicContact CD2-CG 4.44Å; F317-L373 HydrophobicContact CE1-CD2 4.49Å; F317-L373 HydrophobicContact CE2-CB 3.89Å; F317-L373 HydrophobicContact CE2-CD2 3.71Å; F317-L373 HydrophobicContact CE2-CG 4.35Å; F317-L373 HydrophobicContact CG-CD2 3.93Å; F317-L373 HydrophobicContact CZ-CB 4.46Å; F317-L373 HydrophobicContact CZ-CD2 4.15Å; D369-L373 WeakPolarHBondContact O-CB 3.33Å; D369-L373 PolarHBondContact O-N 2.92Å; L373-F377 WeakPolarHBondContact O-CB 3.47Å; L373-F377 PolarHBondContact O-N 2.82Å; L373-F431 HydrophobicContact CD1-CE1 4.32Å; L373-F431 HydrophobicContact CD2-CD1 4.43Å; L373-F431 HydrophobicContact CD2-CE1 3.97Å; L373-F431 HydrophobicContact CG-CE1 4.28Å; L373-L442 HydrophobicContact CD2-CD1 3.54Å; L373-L442 HydrophobicContact CG-CD1 3.78Å
374	A	98.8	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68.9	-43.4	-179.8	0	0	0	0	0	112.5	L370 E371 I372 A378 L442 M445 V446	L370-A374 VanDerWaalsContact O-CB 3.27Å; L370-A374 WeakPolarHBondContact O-CB 3.45Å; L370-A374 PolarHBondContact O-N 2.85Å; E371-A374 PolarHBondContact O-N 2.74Å; E371-A374 VanDerWaalsContact O-N 3.13Å; I372-A374 VanDerWaalsContact C-N 3.3Å; I372-A374 PolarHBondContact O-N 2.63Å; A374-A378 WeakPolarHBondContact O-CB 3.47Å; A374-A378 PolarHBondContact O-N 2.96Å; A374-L442 HydrophobicContact CB-CG 4.23Å; A374-M445 HydrophobicContact CB-CB 3.88Å; A374-M445 HydrophobicContact CB-CE 3.82Å; A374-V446 HydrophobicContact CB-CG2 3.95Å
375	A	98.9	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.5	-42.9	179.5	0	0	0	0	0	112.6	T354 L358 E371 I372 A378 S379 I449 L492 V496	T354-A375 HydrophobicContact CG2-CB 4.12Å; L358-A375 HydrophobicContact CD1-CB 4.24Å; E371-A375 PolarHBondContact O-N 2.69Å; I372-A375 PolarHBondContact O-N 2.79Å; A375-A378 PolarHBondContact O-N 3.36Å; A375-S379 WeakPolarHBondContact O-CB 3.49Å; A375-S379 PolarHBondContact O-N 3.08Å; A375-S379 PolarHBondContact O-OG 3Å; A375-I449 HydrophobicContact CB-CD1 4.34Å; A375-L492 HydrophobicContact CB-CD2 4.11Å; A375-V496 HydrophobicContact CB-CG2 4.47Å
376	I	98.9	Very high	98.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.2	-43	176.6	-62.6	165.5	0	0	0	110.4	M304 I307 F308 L313 T351 L358 I372 A380	M304-I376 HydrophobicContact SD-CG2 3.77Å; I307-I376 HydrophobicContact CG2-CD1 3.82Å; I307-I376 HydrophobicContact CG2-CG1 4.47Å; I307-I376 HydrophobicContact CG2-CG2 3.89Å; F308-I376 HydrophobicContact CD2-CG2 4.39Å; F308-I376 HydrophobicContact CE2-CG2 3.78Å; L313-I376 HydrophobicContact CD1-CD1 4.07Å; T351-I376 HydrophobicContact CG2-CG2 3.96Å; L358-I376 HydrophobicContact CD1-CD1 3.91Å; L358-I376 HydrophobicContact CD1-CG1 3.63Å; I372-I376 HydrophobicContact CG2-CD1 3.72Å; I372-I376 WeakPolarHBondContact O-CD1 3.27Å; I372-I376 VanDerWaalsContact O-CG1 3.29Å; I372-I376 WeakPolarHBondContact O-CG1 3.16Å; I372-I376 PolarHBondContact O-N 2.88Å; I372-I376 VanDerWaalsContact O-N 3.11Å; I376-A380 WeakPolarHBondContact O-CB 3.35Å; I376-A380 PolarHBondContact O-N 3.5Å; I376-A380 VanDerWaalsContact O-N 3.07Å
377	F	98.9	Very high	98.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.2	-40.2	175.7	-179.8	-94.7	0	0	0	112.6	Y327 L373 A380 I381 F420 L423 I430 F431 V446	Y327-F377 HydrophobicContact CE1-CD2 4.47Å; Y327-F377 AromaticContact CE1-CE2 3.67Å; Y327-F377 HydrophobicContact CE1-CE2 3.67Å; Y327-F377 HydrophobicContact CE1-CZ 4.5Å; Y327-F377 AromaticContact CZ-CE2 3.67Å; Y327-F377 VanDerWaalsContact OH-CE2 3.3Å; Y327-F377 WeakPolarHBondContact OH-CE2 3.19Å; Y327-F377 WeakPolarHBondContact OH-CZ 3.38Å; L373-F377 WeakPolarHBondContact O-CB 3.47Å; L373-F377 PolarHBondContact O-N 2.82Å; F377-A380 PolarHBondContact O-N 3.08Å; F377-I381 HydrophobicContact CD1-CD1 4.31Å; F377-I381 HydrophobicContact CE1-CD1 3.76Å; F377-I381 HydrophobicContact CE1-CG1 4.39Å; F377-I381 HydrophobicContact CE1-CG2 4.23Å; F377-I381 HydrophobicContact CE2-CG2 4.28Å; F377-I381 HydrophobicContact CZ-CD1 4.41Å; F377-I381 HydrophobicContact CZ-CG2 4.06Å; F377-I381 PolarHBondContact O-N 3.08Å; F377-F420 HydrophobicContact CE1-CE1 4.45Å; F377-F420 HydrophobicContact CE1-CE2 4.47Å; F377-F420 HydrophobicContact CE1-CZ 4.18Å; F377-L423 HydrophobicContact CZ-CD1 4.36Å; F377-I430 HydrophobicContact CD2-CD1 4Å; F377-I430 HydrophobicContact CE2-CD1 3.88Å; F377-F431 HydrophobicContact CB-CZ 4.47Å; F377-F431 HydrophobicContact CD1-CE2 4.32Å; F377-F431 HydrophobicContact CD1-CZ 4.09Å; F377-F431 HydrophobicContact CD2-CE2 4.18Å; F377-F431 AromaticContact CD2-CZ 3.57Å; F377-F431 HydrophobicContact CD2-CZ 3.57Å; F377-F431 AromaticContact CE1-CE2 3.97Å; F377-F431 HydrophobicContact CE1-CE2 3.97Å; F377-F431 HydrophobicContact CE1-CZ 4.18Å; F377-F431 AromaticContact CE2-CE2 3.81Å; F377-F431 HydrophobicContact CE2-CE2 3.81Å; F377-F431 AromaticContact CE2-CZ 3.67Å; F377-F431 HydrophobicContact CE2-CZ 3.67Å; F377-F431 HydrophobicContact CG-CE2 4.41Å; F377-F431 AromaticContact CG-CZ 3.78Å; F377-F431 HydrophobicContact CG-CZ 3.78Å; F377-F431 AromaticContact CZ-CE2 3.71Å; F377-F431 HydrophobicContact CZ-CE2 3.71Å; F377-F431 AromaticContact CZ-CZ 3.98Å; F377-F431 HydrophobicContact CZ-CZ 3.98Å; F377-V446 HydrophobicContact CD1-CG1 3.91Å; F377-V446 HydrophobicContact CD1-CG2 3.78Å; F377-V446 HydrophobicContact CE1-CG1 4.13Å; F377-V446 HydrophobicContact CE1-CG2 4.49Å
378	A	98.9	Very high	98.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.6	-51.5	175	0	0	0	0	0	110.8	A374 A375 A380 I381 H382 V446 I449 V450	A374-A378 WeakPolarHBondContact O-CB 3.47Å; A374-A378 PolarHBondContact O-N 2.96Å; A375-A378 PolarHBondContact O-N 3.36Å; A378-A380 PolarHBondContact O-N 2.89Å; A378-I381 CarbonylContact O-C 3.59Å; A378-I381 PolarHBondContact O-N 2.87Å; A378-H382 WeakPolarHBondContact O-CB 3.38Å; A378-H382 PolarHBondContact O-N 3.32Å; A378-V446 HydrophobicContact CB-CG1 4.09Å; A378-I449 HydrophobicContact CB-CB 4Å; A378-I449 HydrophobicContact CB-CG2 3.56Å; A378-V450 HydrophobicContact CB-CG2 3.9Å
379	S	98.9	Very high	98.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-54.1	-39.9	176.1	-54.3	0	0	0	0	112.1	T354 A375 I381 H382	T354-S379 WeakPolarHBondContact CB-OG 3.33Å; T354-S379 PolarHBondContact OG1-OG 3.4Å; A375-S379 WeakPolarHBondContact O-CB 3.49Å; A375-S379 PolarHBondContact O-N 3.08Å; A375-S379 PolarHBondContact O-OG 3Å; S379-I381 VanDerWaalsContact C-N 3.32Å; S379-I381 PolarHBondContact O-N 3.03Å; S379-H382 PolarHBondContact O-ND1 3.39Å
380	A	98.9	Very high	98.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-73.7	-17.8	179.9	0	0	0	0	0	114.8	L300 M304 L331 Y335 T351 I376 F377 A378	L300-A380 HydrophobicContact CD1-CB 4.05Å; M304-A380 HydrophobicContact CE-CB 3.74Å; M304-A380 HydrophobicContact CG-CB 3.96Å; M304-A380 HydrophobicContact SD-CB 3.54Å; M304-A380 VanDerWaalsContact SD-CB 3.54Å; L331-A380 HydrophobicContact CD2-CB 4.38Å; L331-A380 WeakPolarHBondContact CD2-O 2.99Å; Y335-A380 PolarHBondContact OH-O 3.09Å; Y335-A380 VanDerWaalsContact OH-O 3.11Å; T351-A380 VanDerWaalsContact OG1-CA 3.24Å; T351-A380 WeakPolarHBondContact OG1-CA 3.41Å; T351-A380 PolarHBondContact OG1-N 2.66Å; I376-A380 WeakPolarHBondContact O-CB 3.35Å; I376-A380 PolarHBondContact O-N 3.5Å; I376-A380 VanDerWaalsContact O-N 3.07Å; F377-A380 PolarHBondContact O-N 3.08Å; A378-A380 PolarHBondContact O-N 2.89Å
381	I	98.8	Very high	98.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-113.1	-4.5	179.1	73.3	162.2	0	0	0	114.1	L331 F377 A378 S379 D383 V384 L416 F420 V446 V450	L331-I381 HydrophobicContact CD1-CB 4.45Å; L331-I381 HydrophobicContact CD1-CG2 3.81Å; L331-I381 HydrophobicContact CD2-CG2 4.04Å; F377-I381 HydrophobicContact CD1-CD1 4.31Å; F377-I381 HydrophobicContact CE1-CD1 3.76Å; F377-I381 HydrophobicContact CE1-CG1 4.39Å; F377-I381 HydrophobicContact CE1-CG2 4.23Å; F377-I381 HydrophobicContact CE2-CG2 4.28Å; F377-I381 HydrophobicContact CZ-CD1 4.41Å; F377-I381 HydrophobicContact CZ-CG2 4.06Å; F377-I381 PolarHBondContact O-N 3.08Å; A378-I381 CarbonylContact O-C 3.59Å; A378-I381 PolarHBondContact O-N 2.87Å; S379-I381 VanDerWaalsContact C-N 3.32Å; S379-I381 PolarHBondContact O-N 3.03Å; I381-D383 PolarHBondContact O-N 2.96Å; I381-V384 HydrophobicContact CB-CG1 4.33Å; I381-V384 WeakPolarHBondContact O-CG1 3.5Å; I381-V384 PolarHBondContact O-N 3.06Å; I381-V384 VanDerWaalsContact O-N 3.15Å; I381-L416 HydrophobicContact CD1-CD2 4.33Å; I381-F420 HydrophobicContact CD1-CD2 4.48Å; I381-F420 HydrophobicContact CD1-CE2 4.45Å; I381-V446 HydrophobicContact CD1-CG1 3.91Å; I381-V450 HydrophobicContact CG1-CG2 4.3Å
382	H	98.9	Very high	98.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.2	-163	77.6	-78.9	0	0	0	114.4	H346 A378 S379 H415 V450	H346-H382 AromaticContact NE2-CE1 3.99Å; H346-H382 AromaticContact NE2-NE2 3.52Å; A378-H382 WeakPolarHBondContact O-CB 3.38Å; A378-H382 PolarHBondContact O-N 3.32Å; S379-H382 PolarHBondContact O-ND1 3.39Å; H382-H415 WeakPolarHBondContact O-CB 3.46Å; H382-H415 PolarHBondContact O-CD2 3.49Å; H382-V450 HydrophobicContact CB-CG1 4.26Å; H382-V450 HydrophobicContact CB-CG2 4.26Å
383	D	98.8	Very high	98.4	Very high	13 Å²	13	12.7 Å²	12.7	7%	0.07	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	7.9	-176.2	-104.1	8.2	0	0	0	114.2	Y335 H342 H346 I381 D385 H386 H415	Y335-D383 HydrophobicContact CE1-CB 3.63Å; H342-D383 VanDerWaalsContact CB-OD2 3.28Å; H342-D383 WeakPolarHBondContact CB-OD2 3.37Å; H342-D383 IonicContact CD2-OD2 3.35Å; H342-D383 PolarHBondContact CD2-OD2 2.97Å; H342-D383 IonicContact CG-OD2 2.73Å; H346-D383 IonicContact CD2-OD2 3.81Å; H346-D383 PolarHBondContact CD2-OD2 2.94Å; H346-D383 IonicContact NE2-OD2 2.77Å; I381-D383 PolarHBondContact O-N 2.96Å; D383-D385 PolarHBondContact O-N 2.79Å; D383-H386 VanDerWaalsContact O-CB 3.26Å; D383-H386 WeakPolarHBondContact O-CB 3.5Å; D383-H386 PolarHBondContact O-N 3.42Å; D383-H415 VanDerWaalsContact C-ND1 3.28Å; D383-H415 PolarHBondContact O-CE1 3.2Å
384	V	98.6	Very high	98.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	129	-169.2	66.2	0	0	0	0	112.1	L331 H334 Y335 I381 H415 V418	L331-V384 HydrophobicContact CD1-CB 4.01Å; L331-V384 HydrophobicContact CD1-CG1 4.37Å; L331-V384 HydrophobicContact CD1-CG2 3.71Å; H334-V384 HydrophobicContact CB-CG2 3.54Å; Y335-V384 HydrophobicContact CD2-CB 4.47Å; Y335-V384 HydrophobicContact CD2-CG2 4.22Å; Y335-V384 HydrophobicContact CE2-CB 3.84Å; Y335-V384 HydrophobicContact CE2-CG2 4.02Å; Y335-V384 PolarHBondContact OH-N 3.16Å; I381-V384 HydrophobicContact CB-CG1 4.33Å; I381-V384 WeakPolarHBondContact O-CG1 3.5Å; I381-V384 PolarHBondContact O-N 3.06Å; I381-V384 VanDerWaalsContact O-N 3.15Å; V384-H415 HydrophobicContact CG1-CB 4.4Å; V384-H415 WeakPolarHBondContact CG1-O 3.4Å; V384-H415 PolarHBondContact N-ND1 1.8Å; V384-H415 PolarHBondContact O-ND1 2.76Å; V384-V418 HydrophobicContact CG1-CB 3.94Å; V384-V418 HydrophobicContact CG1-CG1 3.8Å; V384-V418 HydrophobicContact CG2-CG1 3.91Å
385	D	98.2	Very high	98.3	Very high	16 Å²	16	15.1 Å²	15.1	9%	0.086	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	24.4	-174.1	-152.9	46.6	0	0	0	114.3	H334 H336 D383 H414 V418	H334-D385 VanDerWaalsContact O-CA 3.23Å; H334-D385 WeakPolarHBondContact O-CA 3.33Å; H334-D385 PolarHBondContact O-N 3.27Å; H336-D385 IonicContact CD2-OD1 3.75Å; H336-D385 IonicContact CE1-OD1 3.69Å; H336-D385 IonicContact NE2-OD1 2.76Å; H336-D385 PolarHBondContact NE2-OD1 3.05Å; D383-D385 PolarHBondContact O-N 2.79Å; D385-H414 IonicContact OD2-CD2 3.65Å; D385-H414 IonicContact OD2-CE1 3.38Å; D385-H414 IonicContact OD2-NE2 3.91Å; D385-H414 PolarHBondContact OD2-NE2 2.95Å; D385-V418 HydrophobicContact CB-CG1 4.35Å; D385-V418 HydrophobicContact CB-CG2 4.16Å
386	H	98.4	Very high	98.1	Very high	8 Å²	8	19.1 Å²	19.1	4%	0.037	10%	0.104	C	C	.	.			trans	-61.1	127.3	172.5	-172.1	-97.5	0	0	0	112.4	H342 D383 G388 H415 E521	H342-H386 HydrophobicContact CB-CB 4.04Å; H342-H386 WeakPolarHBondContact CB-ND1 3.43Å; H342-H386 AromaticContact CE1-CE1 3.98Å; H342-H386 AromaticContact CG-CE1 3.58Å; H342-H386 AromaticContact CG-ND1 3.55Å; H342-H386 AromaticContact ND1-CE1 3.34Å; H342-H386 PolarHBondContact ND1-CE1 3Å; H342-H386 VanDerWaalsContact ND1-CE1 3.34Å; H342-H386 AromaticContact ND1-ND1 3.68Å; D383-H386 VanDerWaalsContact O-CB 3.26Å; D383-H386 WeakPolarHBondContact O-CB 3.5Å; D383-H386 PolarHBondContact O-N 3.42Å; H386-G388 VanDerWaalsContact C-N 3.3Å; H386-G388 PolarHBondContact ND1-N 3.39Å; H386-G388 VanDerWaalsContact ND1-N 3.18Å; H386-G388 PolarHBondContact O-N 3.36Å; H386-H415 AromaticContact CD2-NE2 3.87Å; H386-E521 IonicContact CE1-OE1 2.85Å; H386-E521 PolarHBondContact CE1-OE1 2.98Å; H386-E521 IonicContact ND1-OE1 2.74Å
387	P	97.8	Very high	98	Very high	30 Å²	30	21.3 Å²	21.3	20%	0.195	12%	0.117	C	C	.	.			trans	-85.7	6.3	-171.5	35.1	-37.5	0	0	0	114.6	V389 L394 L411 R528	P387-V389 HydrophobicContact CB-CG2 4.14Å; P387-V389 HydrophobicContact CG-CG2 3.74Å; P387-L394 HydrophobicContact CG-CD1 4.38Å; P387-L394 HydrophobicContact CG-CD2 4.38Å; P387-L411 HydrophobicContact CG-CD2 4.05Å; P387-R528 PolarHBondContact O-NH1 2.91Å
388	G	97.8	Very high	97.9	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	72	31.2	-176	0	0	0	0	0	114.3	H386 E521	H386-G388 VanDerWaalsContact C-N 3.3Å; H386-G388 PolarHBondContact ND1-N 3.39Å; H386-G388 VanDerWaalsContact ND1-N 3.18Å; H386-G388 PolarHBondContact O-N 3.36Å; G388-E521 VanDerWaalsContact CA-OE1 3.24Å; G388-E521 WeakPolarHBondContact CA-OE1 3.19Å
389	V	98.1	Very high	97.8	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.036	15%	0.153	C	C	.	.	S	Bend	trans	-154	142.9	177.8	-75.7	0	0	0	0	111.1	P387 F393 L394 Q525	P387-V389 HydrophobicContact CB-CG2 4.14Å; P387-V389 HydrophobicContact CG-CG2 3.74Å; V389-F393 HydrophobicContact CB-CB 4.16Å; V389-F393 HydrophobicContact CB-CD1 3.56Å; V389-F393 HydrophobicContact CB-CE1 4.12Å; V389-F393 HydrophobicContact CB-CG 3.94Å; V389-F393 HydrophobicContact CG1-CD1 3.75Å; V389-F393 HydrophobicContact CG1-CD2 4.46Å; V389-F393 HydrophobicContact CG1-CE1 3.87Å; V389-F393 HydrophobicContact CG1-CG 4.06Å; V389-F393 HydrophobicContact CG1-CZ 4.28Å; V389-F393 HydrophobicContact CG2-CD1 3.58Å; V389-F393 HydrophobicContact CG2-CE1 3.95Å; V389-F393 HydrophobicContact CG2-CG 4.43Å; V389-L394 HydrophobicContact CG2-CD2 3.98Å; V389-L394 HydrophobicContact CG2-CG 4.35Å; V389-Q525 HydrophobicContact CB-CG 4.46Å; V389-Q525 HydrophobicContact CG1-CB 4Å; V389-Q525 HydrophobicContact CG1-CG 3.82Å
390	S	98	Very high	97.6	Very high	46 Å²	46	34.7 Å²	34.7	32%	0.322	19%	0.186	S	C	.	.			trans	-61.5	157.6	-177.8	59.7	0	0	0	0	115.8	Q392 F393 L394 Q525	S390-Q392 PolarHBondContact O-N 2.99Å; S390-F393 WeakPolarHBondContact O-CB 3.41Å; S390-F393 PolarHBondContact O-N 3.2Å; S390-F393 VanDerWaalsContact O-N 3.08Å; S390-F393 PolarHBondContact OG-N 3.24Å; S390-L394 PolarHBondContact O-N 3.35Å; S390-L394 VanDerWaalsContact O-N 3.09Å; S390-Q525 PolarHBondContact OG-NE2 3.16Å; S390-Q525 PolarHBondContact OG-OE1 2.9Å
391	N	97.4	Very high	97.4	Very high	30 Å²	30	36 Å²	36	16%	0.16	19%	0.192	C	C	.	.	H	α-helix	trans	-46	-46.4	168.1	-83.8	-37.2	0	0	0	112.3	F393 L394 I395 V410 L411 E412	N391-F393 PolarHBondContact O-N 3.46Å; N391-L394 WeakPolarHBondContact O-CB 3.26Å; N391-L394 PolarHBondContact O-N 2.9Å; N391-I395 WeakPolarHBondContact O-CD1 3.4Å; N391-I395 VanDerWaalsContact O-CG1 3.29Å; N391-I395 WeakPolarHBondContact O-CG1 3.31Å; N391-I395 PolarHBondContact O-N 3.29Å; N391-V410 WeakPolarHBondContact OD1-CB 3.43Å; N391-V410 PolarHBondContact OD1-N 3.22Å; N391-L411 WeakPolarHBondContact OD1-CB 3.37Å; N391-L411 VanDerWaalsContact OD1-CG 3.29Å; N391-L411 WeakPolarHBondContact OD1-CG 3.46Å; N391-L411 PolarHBondContact OD1-N 3.29Å; N391-E412 PolarHBondContact ND2-OE1 2.87Å; N391-E412 PolarHBondContact ND2-OE2 3.3Å
392	Q	97.3	Very high	97.3	Very high	107 Å²	107	36 Å²	36	50%	0.5	19%	0.192	S	C	.	.	H	α-helix	trans	-66.3	-36.7	-178.4	-168.2	62.2	59.4	0	0	112.8	S390 I395 N396	S390-Q392 PolarHBondContact O-N 2.99Å; Q392-I395 PolarHBondContact O-N 3.47Å; Q392-N396 PolarHBondContact NE2-OD1 2.97Å; Q392-N396 VanDerWaalsContact O-CB 3.31Å; Q392-N396 WeakPolarHBondContact O-CB 3.39Å; Q392-N396 PolarHBondContact O-N 2.99Å; Q392-N396 PolarHBondContact O-ND2 2.89Å; Q392-N396 PolarHBondContact O-OD1 2.67Å
393	F	97.8	Very high	97.1	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.035	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-42	172.9	177.4	-84.1	0	0	0	111.4	V389 S390 N391 I395 N396 T397 Q525 R528 E529 M534	V389-F393 HydrophobicContact CB-CB 4.16Å; V389-F393 HydrophobicContact CB-CD1 3.56Å; V389-F393 HydrophobicContact CB-CE1 4.12Å; V389-F393 HydrophobicContact CB-CG 3.94Å; V389-F393 HydrophobicContact CG1-CD1 3.75Å; V389-F393 HydrophobicContact CG1-CD2 4.46Å; V389-F393 HydrophobicContact CG1-CE1 3.87Å; V389-F393 HydrophobicContact CG1-CG 4.06Å; V389-F393 HydrophobicContact CG1-CZ 4.28Å; V389-F393 HydrophobicContact CG2-CD1 3.58Å; V389-F393 HydrophobicContact CG2-CE1 3.95Å; V389-F393 HydrophobicContact CG2-CG 4.43Å; S390-F393 WeakPolarHBondContact O-CB 3.41Å; S390-F393 PolarHBondContact O-N 3.2Å; S390-F393 VanDerWaalsContact O-N 3.08Å; S390-F393 PolarHBondContact OG-N 3.24Å; N391-F393 PolarHBondContact O-N 3.46Å; F393-I395 VanDerWaalsContact C-N 3.32Å; F393-I395 PolarHBondContact O-N 3.39Å; F393-N396 PolarHBondContact O-N 2.91Å; F393-T397 HydrophobicContact CD1-CG2 4.18Å; F393-T397 HydrophobicContact CD2-CG2 4.41Å; F393-T397 HydrophobicContact CE1-CG2 3.83Å; F393-T397 HydrophobicContact CE2-CG2 4.08Å; F393-T397 HydrophobicContact CG-CG2 4.47Å; F393-T397 HydrophobicContact CZ-CG2 3.79Å; F393-T397 WeakPolarHBondContact O-CB 3.42Å; F393-T397 WeakPolarHBondContact O-CG2 3.48Å; F393-T397 PolarHBondContact O-N 2.75Å; F393-T397 PolarHBondContact O-OG1 2.96Å; F393-Q525 HydrophobicContact CB-CG 4.42Å; F393-Q525 HydrophobicContact CD2-CG 3.82Å; F393-Q525 HydrophobicContact CE2-CG 4.38Å; F393-Q525 HydrophobicContact CG-CG 4.25Å; F393-R528 HydrophobicContact CE2-CB 4.21Å; F393-R528 HydrophobicContact CZ-CB 4.1Å; F393-E529 HydrophobicContact CD2-CG 3.6Å; F393-E529 HydrophobicContact CE2-CG 3.62Å; F393-M534 HydrophobicContact CD2-CE 4.22Å; F393-M534 HydrophobicContact CE2-CE 4.42Å; F393-M534 HydrophobicContact CE2-SD 4.42Å
394	L	97.6	Very high	96.8	Very high	12 Å²	12	44.4 Å²	44.4	6%	0.063	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-36.1	177.5	-69.6	180	0	0	0	112.9	P387 V389 S390 N391 T397 N398 S399 L401 A402 V410 L411	P387-L394 HydrophobicContact CG-CD1 4.38Å; P387-L394 HydrophobicContact CG-CD2 4.38Å; V389-L394 HydrophobicContact CG2-CD2 3.98Å; V389-L394 HydrophobicContact CG2-CG 4.35Å; S390-L394 PolarHBondContact O-N 3.35Å; S390-L394 VanDerWaalsContact O-N 3.09Å; N391-L394 WeakPolarHBondContact O-CB 3.26Å; N391-L394 PolarHBondContact O-N 2.9Å; L394-T397 PolarHBondContact O-OG1 2.96Å; L394-N398 PolarHBondContact O-N 3.31Å; L394-S399 WeakPolarHBondContact CB-OG 3.43Å; L394-S399 WeakPolarHBondContact O-CB 3.43Å; L394-S399 PolarHBondContact O-N 2.86Å; L394-S399 PolarHBondContact O-OG 3.05Å; L394-L401 HydrophobicContact CD1-CD1 4.24Å; L394-A402 WeakPolarHBondContact O-CB 3.42Å; L394-V410 HydrophobicContact CD1-CG1 4.16Å; L394-L411 HydrophobicContact CD1-CD1 4.46Å; L394-L411 HydrophobicContact CD1-CD2 3.62Å; L394-L411 HydrophobicContact CD1-CG 3.85Å
395	I	97.1	Very high	96.7	Very high	38 Å²	38	46.3 Å²	46.3	20%	0.195	24%	0.243	C	C	.	.	H	α-helix	trans	-70.6	-54	174.4	-65.1	162.2	0	0	0	110	N391 Q392 F393 T397 N398 A402 D407 V410	N391-I395 WeakPolarHBondContact O-CD1 3.4Å; N391-I395 VanDerWaalsContact O-CG1 3.29Å; N391-I395 WeakPolarHBondContact O-CG1 3.31Å; N391-I395 PolarHBondContact O-N 3.29Å; Q392-I395 PolarHBondContact O-N 3.47Å; F393-I395 VanDerWaalsContact C-N 3.32Å; F393-I395 PolarHBondContact O-N 3.39Å; I395-T397 PolarHBondContact O-N 2.62Å; I395-N398 PolarHBondContact O-N 3.17Å; I395-A402 HydrophobicContact CG1-CB 4.11Å; I395-D407 HydrophobicContact CD1-CB 3.94Å; I395-D407 HydrophobicContact CG1-CB 3.93Å; I395-D407 HydrophobicContact CG2-CB 4.32Å; I395-V410 HydrophobicContact CG1-CG2 4.4Å
396	N	96.3	Very high	96.6	Very high	85 Å²	85	51.6 Å²	51.6	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-56.9	-36.9	-179.1	-70.7	-6.3	0	0	0	112.3	Q392 F393 N398 M534	Q392-N396 PolarHBondContact NE2-OD1 2.97Å; Q392-N396 VanDerWaalsContact O-CB 3.31Å; Q392-N396 WeakPolarHBondContact O-CB 3.39Å; Q392-N396 PolarHBondContact O-N 2.99Å; Q392-N396 PolarHBondContact O-ND2 2.89Å; Q392-N396 PolarHBondContact O-OD1 2.67Å; F393-N396 PolarHBondContact O-N 2.91Å; N396-N398 VanDerWaalsContact C-N 3.31Å; N396-N398 PolarHBondContact O-N 2.81Å; N396-N398 PolarHBondContact O-ND2 2.79Å; N396-M534 HydrophobicContact CB-CE 3.8Å
397	T	96.6	Very high	96.4	Very high	45 Å²	45	55.6 Å²	55.6	28%	0.276	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	0.4	177.8	56.8	0	0	0	0	114.8	F393 L394 I395 S399 M534	F393-T397 HydrophobicContact CD1-CG2 4.18Å; F393-T397 HydrophobicContact CD2-CG2 4.41Å; F393-T397 HydrophobicContact CE1-CG2 3.83Å; F393-T397 HydrophobicContact CE2-CG2 4.08Å; F393-T397 HydrophobicContact CG-CG2 4.47Å; F393-T397 HydrophobicContact CZ-CG2 3.79Å; F393-T397 WeakPolarHBondContact O-CB 3.42Å; F393-T397 WeakPolarHBondContact O-CG2 3.48Å; F393-T397 PolarHBondContact O-N 2.75Å; F393-T397 PolarHBondContact O-OG1 2.96Å; L394-T397 PolarHBondContact O-OG1 2.96Å; I395-T397 PolarHBondContact O-N 2.62Å; T397-S399 VanDerWaalsContact C-N 3.29Å; T397-S399 PolarHBondContact O-N 2.8Å; T397-M534 HydrophobicContact CG2-CE 4.15Å; T397-M534 HydrophobicContact CG2-SD 3.76Å
398	N	95.9	Very high	96.3	Very high	115 Å²	115	57.6 Å²	57.6	62%	0.615	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	43.8	-178.2	-68.4	-119.1	0	0	0	112	L394 I395 N396	L394-N398 PolarHBondContact O-N 3.31Å; I395-N398 PolarHBondContact O-N 3.17Å; N396-N398 VanDerWaalsContact C-N 3.31Å; N396-N398 PolarHBondContact O-N 2.81Å; N396-N398 PolarHBondContact O-ND2 2.79Å
399	S	96.2	Very high	96.2	Very high	22 Å²	22	58 Å²	58	15%	0.154	31%	0.31	C	S	.	.			trans	-65.1	157.6	-176.2	67.4	0	0	0	0	113.4	L394 T397 L401 A402 L403	L394-S399 WeakPolarHBondContact CB-OG 3.43Å; L394-S399 WeakPolarHBondContact O-CB 3.43Å; L394-S399 PolarHBondContact O-N 2.86Å; L394-S399 PolarHBondContact O-OG 3.05Å; T397-S399 VanDerWaalsContact C-N 3.29Å; T397-S399 PolarHBondContact O-N 2.8Å; S399-L401 PolarHBondContact O-N 2.85Å; S399-A402 PolarHBondContact O-N 3.32Å; S399-A402 WeakPolarHBondContact OG-CB 3.28Å; S399-A402 PolarHBondContact OG-N 2.84Å; S399-A402 VanDerWaalsContact OG-N 3.17Å; S399-L403 WeakPolarHBondContact O-CG 3.5Å; S399-L403 PolarHBondContact O-N 2.75Å
400	E	95.8	Very high	96.2	Very high	145 Å²	145	57.8 Å²	57.8	68%	0.678	31%	0.309	S	S	*	.	H	α-helix	trans	-58.8	-31	175.3	-64.6	-169.1	164.3	0	0	112.4	S245 M404	S245-E400 PolarHBondContact OG-OE2 3.48Å; E400-M404 WeakPolarHBondContact O-CB 3.32Å; E400-M404 PolarHBondContact O-N 3.34Å
401	L	95.1	Very high	96.3	Very high	26 Å²	26	56 Å²	56	14%	0.136	30%	0.295	C	S	.	.	H	α-helix	trans	-70.1	-49	176	-60	-176.1	0	0	0	111.7	L394 S399 L403 M404 Y405 V410	L394-L401 HydrophobicContact CD1-CD1 4.24Å; S399-L401 PolarHBondContact O-N 2.85Å; L401-L403 VanDerWaalsContact C-N 3.32Å; L401-L403 PolarHBondContact O-N 3.28Å; L401-M404 HydrophobicContact CD2-CE 3.76Å; L401-M404 PolarHBondContact O-N 2.9Å; L401-Y405 HydrophobicContact CD2-CE2 4.5Å; L401-Y405 WeakPolarHBondContact O-CD2 3.37Å; L401-Y405 PolarHBondContact O-N 3.21Å; L401-V410 VanDerWaalsContact C-CG1 3.45Å; L401-V410 HydrophobicContact CB-CG1 3.7Å
402	A	95.8	Very high	96.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-42.8	179.1	0	0	0	0	0	111.6	L394 I395 S399 M404 Y405 N406 D407 V410	L394-A402 WeakPolarHBondContact O-CB 3.42Å; I395-A402 HydrophobicContact CG1-CB 4.11Å; S399-A402 PolarHBondContact O-N 3.32Å; S399-A402 WeakPolarHBondContact OG-CB 3.28Å; S399-A402 PolarHBondContact OG-N 2.84Å; S399-A402 VanDerWaalsContact OG-N 3.17Å; A402-M404 VanDerWaalsContact C-N 3.3Å; A402-M404 PolarHBondContact O-N 3.44Å; A402-Y405 PolarHBondContact O-N 3.3Å; A402-N406 WeakPolarHBondContact O-CA 3.3Å; A402-N406 PolarHBondContact O-N 3.17Å; A402-D407 PolarHBondContact O-N 3.21Å; A402-D407 VanDerWaalsContact O-N 3.14Å; A402-V410 HydrophobicContact CB-CG1 4.3Å; A402-V410 HydrophobicContact CB-CG2 4.41Å
403	L	94.1	Very high	96.4	Very high	114 Å²	114	52.6 Å²	52.6	60%	0.597	28%	0.28	S	S	*	.	H	α-helix	trans	-66.7	-27.1	174.3	-65	174	0	0	0	113.6	S399 L401	S399-L403 WeakPolarHBondContact O-CG 3.5Å; S399-L403 PolarHBondContact O-N 2.75Å; L401-L403 VanDerWaalsContact C-N 3.32Å; L401-L403 PolarHBondContact O-N 3.28Å
404	M	94.2	Very high	96.4	Very high	77 Å²	77	52.4 Å²	52.4	38%	0.379	28%	0.279	S	S	.	.	H	α-helix	trans	-79.3	-38.7	177	177.6	160.6	57.2	0	0	112.3	E400 L401 A402 N406	E400-M404 WeakPolarHBondContact O-CB 3.32Å; E400-M404 PolarHBondContact O-N 3.34Å; L401-M404 HydrophobicContact CD2-CE 3.76Å; L401-M404 PolarHBondContact O-N 2.9Å; A402-M404 VanDerWaalsContact C-N 3.3Å; A402-M404 PolarHBondContact O-N 3.44Å; M404-N406 PolarHBondContact O-ND2 3.37Å
405	Y	95.7	Very high	96.5	Very high	40 Å²	40	52 Å²	52	16%	0.157	28%	0.277	C	S	.	.	H	α-helix	trans	-99.8	3.3	-178.1	-60.2	-60.9	0	0	0	114.3	L401 A402 V410 N413 H414 A417	L401-Y405 HydrophobicContact CD2-CE2 4.5Å; L401-Y405 WeakPolarHBondContact O-CD2 3.37Å; L401-Y405 PolarHBondContact O-N 3.21Å; A402-Y405 PolarHBondContact O-N 3.3Å; Y405-V410 HydrophobicContact CD2-CG1 4.17Å; Y405-V410 WeakPolarHBondContact CD2-O 3.17Å; Y405-N413 HydrophobicContact CD1-CB 3.47Å; Y405-N413 VanDerWaalsContact CD1-CB 3.47Å; Y405-N413 HydrophobicContact CD2-CB 4.29Å; Y405-N413 HydrophobicContact CE1-CB 3.65Å; Y405-N413 HydrophobicContact CE2-CB 4.42Å; Y405-N413 HydrophobicContact CG-CB 3.83Å; Y405-H414 HydrophobicContact CE2-CB 3.71Å; Y405-A417 WeakPolarHBondContact OH-CB 3.5Å
406	N	95.6	Very high	96.5	Very high	128 Å²	128	50.6 Å²	50.6	68%	0.684	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	48.1	174.3	-47.5	-97.9	0	0	0	112	A402 M404 S408	A402-N406 WeakPolarHBondContact O-CA 3.3Å; A402-N406 PolarHBondContact O-N 3.17Å; M404-N406 PolarHBondContact O-ND2 3.37Å; N406-S408 PolarHBondContact O-N 3.29Å
407	D	95.2	Very high	96.6	Very high	91 Å²	91	48 Å²	48	49%	0.487	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	10.1	176.4	-49.9	-34.6	0	0	0	115.9	I395 A402	I395-D407 HydrophobicContact CD1-CB 3.94Å; I395-D407 HydrophobicContact CG1-CB 3.93Å; I395-D407 HydrophobicContact CG2-CB 4.32Å; A402-D407 PolarHBondContact O-N 3.21Å; A402-D407 VanDerWaalsContact O-N 3.14Å
408	S	94.5	Very high	96.7	Very high	72 Å²	72	45.9 Å²	45.9	50%	0.503	25%	0.247	S	C	.	.	S	Bend	trans	-113.1	110.3	-176.8	178.3	0	0	0	0	111.6	N406 V410 N413	N406-S408 PolarHBondContact O-N 3.29Å; S408-V410 PolarHBondContact O-N 2.89Å; S408-N413 PolarHBondContact O-ND2 3.26Å
409	S	96.9	Very high	96.7	Very high	12 Å²	12	40.4 Å²	40.4	8%	0.084	22%	0.218	C	C	.	.	S	Bend	trans	49.6	56.4	177.3	-47.9	0	0	0	0	111.2	E412 N413 D454 K457	S409-E412 WeakPolarHBondContact CA-OE2 3.48Å; S409-E412 WeakPolarHBondContact CB-OE2 3.37Å; S409-N413 WeakPolarHBondContact O-CB 3.22Å; S409-N413 PolarHBondContact O-N 3.12Å; S409-N413 VanDerWaalsContact O-N 3.08Å; S409-N413 PolarHBondContact O-ND2 3.06Å; S409-D454 VanDerWaalsContact CB-OD2 3.31Å; S409-D454 WeakPolarHBondContact CB-OD2 3.19Å; S409-D454 PolarHBondContact OG-OD2 2.93Å; S409-K457 PolarHBondContact OG-NZ 2.93Å
410	V	98.3	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-42.5	-162.6	173.5	0	0	0	0	111.3	N391 L394 I395 L401 A402 Y405 S408 E412 H414	N391-V410 WeakPolarHBondContact OD1-CB 3.43Å; N391-V410 PolarHBondContact OD1-N 3.22Å; L394-V410 HydrophobicContact CD1-CG1 4.16Å; I395-V410 HydrophobicContact CG1-CG2 4.4Å; L401-V410 VanDerWaalsContact C-CG1 3.45Å; L401-V410 HydrophobicContact CB-CG1 3.7Å; A402-V410 HydrophobicContact CB-CG1 4.3Å; A402-V410 HydrophobicContact CB-CG2 4.41Å; Y405-V410 HydrophobicContact CD2-CG1 4.17Å; Y405-V410 WeakPolarHBondContact CD2-O 3.17Å; S408-V410 PolarHBondContact O-N 2.89Å; V410-E412 PolarHBondContact N-OE2 3.44Å; V410-H414 WeakPolarHBondContact O-CB 3.42Å; V410-H414 PolarHBondContact O-N 3.38Å
411	L	98.6	Very high	96.9	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-71.1	-47.9	177.1	-75.9	169.2	0	0	0	111	P387 N391 L394 N413 H414 H415	P387-L411 HydrophobicContact CG-CD2 4.05Å; N391-L411 WeakPolarHBondContact OD1-CB 3.37Å; N391-L411 VanDerWaalsContact OD1-CG 3.29Å; N391-L411 WeakPolarHBondContact OD1-CG 3.46Å; N391-L411 PolarHBondContact OD1-N 3.29Å; L394-L411 HydrophobicContact CD1-CD1 4.46Å; L394-L411 HydrophobicContact CD1-CD2 3.62Å; L394-L411 HydrophobicContact CD1-CG 3.85Å; L411-N413 VanDerWaalsContact C-N 3.34Å; L411-N413 PolarHBondContact O-N 3.08Å; L411-H414 CarbonylContact O-C 3.19Å; L411-H414 VanDerWaalsContact O-CA 3.3Å; L411-H414 WeakPolarHBondContact O-CA 3.5Å; L411-H414 WeakPolarHBondContact O-CB 3.5Å; L411-H414 PolarHBondContact O-N 2.94Å; L411-H415 WeakPolarHBondContact CB-NE2 3.44Å; L411-H415 PolarHBondContact O-CD2 2.87Å; L411-H415 PolarHBondContact O-N 2.89Å; L411-H415 PolarHBondContact O-NE2 3.2Å
412	E	98.7	Very high	96.9	Very high	14 Å²	14	34.2 Å²	34.2	7%	0.065	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-36.6	-172.1	-53.3	80.4	-173.5	0	0	111.3	N391 S409 V410 L416 L451 D454	N391-E412 PolarHBondContact ND2-OE1 2.87Å; N391-E412 PolarHBondContact ND2-OE2 3.3Å; S409-E412 WeakPolarHBondContact CA-OE2 3.48Å; S409-E412 WeakPolarHBondContact CB-OE2 3.37Å; V410-E412 PolarHBondContact N-OE2 3.44Å; E412-L416 WeakPolarHBondContact O-CB 3.33Å; E412-L416 WeakPolarHBondContact O-CG 3.03Å; E412-L416 PolarHBondContact O-N 2.93Å; E412-L416 VanDerWaalsContact O-N 3.15Å; E412-L451 HydrophobicContact CB-CD2 4.1Å; E412-D454 HydrophobicContact CG-CB 3.81Å; E412-D454 WeakPolarHBondContact OE1-CA 3.17Å
413	N	98.4	Very high	96.8	Very high	52 Å²	52	34.6 Å²	34.6	28%	0.278	19%	0.187	S	C	.	.	H	α-helix	trans	-66.7	-34.5	167.9	-80.6	-80.5	0	0	0	112.8	Y405 S408 S409 L411 A417	Y405-N413 HydrophobicContact CD1-CB 3.47Å; Y405-N413 VanDerWaalsContact CD1-CB 3.47Å; Y405-N413 HydrophobicContact CD2-CB 4.29Å; Y405-N413 HydrophobicContact CE1-CB 3.65Å; Y405-N413 HydrophobicContact CE2-CB 4.42Å; Y405-N413 HydrophobicContact CG-CB 3.83Å; S408-N413 PolarHBondContact O-ND2 3.26Å; S409-N413 WeakPolarHBondContact O-CB 3.22Å; S409-N413 PolarHBondContact O-N 3.12Å; S409-N413 VanDerWaalsContact O-N 3.08Å; S409-N413 PolarHBondContact O-ND2 3.06Å; L411-N413 VanDerWaalsContact C-N 3.34Å; L411-N413 PolarHBondContact O-N 3.08Å; N413-A417 VanDerWaalsContact O-CB 3.24Å; N413-A417 WeakPolarHBondContact O-CB 3.26Å; N413-A417 PolarHBondContact O-N 3.37Å
414	H	98.4	Very high	96.8	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.014	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-46.9	176	-172.5	61.8	0	0	0	111.9	D385 Y405 V410 L411 L416 A417 V418	D385-H414 IonicContact OD2-CD2 3.65Å; D385-H414 IonicContact OD2-CE1 3.38Å; D385-H414 IonicContact OD2-NE2 3.91Å; D385-H414 PolarHBondContact OD2-NE2 2.95Å; Y405-H414 HydrophobicContact CE2-CB 3.71Å; V410-H414 WeakPolarHBondContact O-CB 3.42Å; V410-H414 PolarHBondContact O-N 3.38Å; L411-H414 CarbonylContact O-C 3.19Å; L411-H414 VanDerWaalsContact O-CA 3.3Å; L411-H414 WeakPolarHBondContact O-CA 3.5Å; L411-H414 WeakPolarHBondContact O-CB 3.5Å; L411-H414 PolarHBondContact O-N 2.94Å; H414-L416 VanDerWaalsContact C-N 3.35Å; H414-L416 PolarHBondContact O-N 2.9Å; H414-A417 CarbonylContact O-C 3.6Å; H414-A417 WeakPolarHBondContact O-CB 3.4Å; H414-A417 PolarHBondContact O-N 3.47Å; H414-V418 WeakPolarHBondContact O-CG2 3.49Å; H414-V418 PolarHBondContact O-N 2.99Å
415	H	98.6	Very high	96.7	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-45.8	177.6	-56.9	-36.5	0	0	0	111.2	H382 D383 V384 H386 L411 A417 V418 G419 V450	H382-H415 WeakPolarHBondContact O-CB 3.46Å; H382-H415 PolarHBondContact O-CD2 3.49Å; D383-H415 VanDerWaalsContact C-ND1 3.28Å; D383-H415 PolarHBondContact O-CE1 3.2Å; V384-H415 HydrophobicContact CG1-CB 4.4Å; V384-H415 WeakPolarHBondContact CG1-O 3.4Å; V384-H415 PolarHBondContact N-ND1 1.8Å; V384-H415 PolarHBondContact O-ND1 2.76Å; H386-H415 AromaticContact CD2-NE2 3.87Å; L411-H415 WeakPolarHBondContact CB-NE2 3.44Å; L411-H415 PolarHBondContact O-CD2 2.87Å; L411-H415 PolarHBondContact O-N 2.89Å; L411-H415 PolarHBondContact O-NE2 3.2Å; H415-A417 PolarHBondContact O-N 3.36Å; H415-V418 PolarHBondContact O-N 2.97Å; H415-G419 PolarHBondContact O-N 3.13Å; H415-V450 HydrophobicContact CB-CG1 4.45Å
416	L	98.6	Very high	96.4	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.052	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-44.6	170.1	-79.1	168.4	0	0	0	113.3	I381 E412 H414 F420 V446 I447 V450 L451	I381-L416 HydrophobicContact CD1-CD2 4.33Å; E412-L416 WeakPolarHBondContact O-CB 3.33Å; E412-L416 WeakPolarHBondContact O-CG 3.03Å; E412-L416 PolarHBondContact O-N 2.93Å; E412-L416 VanDerWaalsContact O-N 3.15Å; H414-L416 VanDerWaalsContact C-N 3.35Å; H414-L416 PolarHBondContact O-N 2.9Å; L416-F420 HydrophobicContact CD2-CD2 4.24Å; L416-F420 HydrophobicContact CD2-CE2 3.95Å; L416-F420 WeakPolarHBondContact O-CB 3.4Å; L416-F420 WeakPolarHBondContact O-CD2 3.24Å; L416-F420 PolarHBondContact O-N 2.99Å; L416-F420 VanDerWaalsContact O-N 3.14Å; L416-V446 HydrophobicContact CD2-CG1 3.95Å; L416-I447 HydrophobicContact CD1-CB 4.31Å; L416-I447 HydrophobicContact CD1-CG1 4.2Å; L416-I447 HydrophobicContact CD1-CG2 4.21Å; L416-I447 HydrophobicContact CD2-CG1 3.99Å; L416-V450 HydrophobicContact CD1-CB 4.05Å; L416-V450 HydrophobicContact CD1-CG1 4.3Å; L416-V450 HydrophobicContact CD2-CB 3.83Å; L416-V450 HydrophobicContact CD2-CG1 4.36Å; L416-V450 HydrophobicContact CD2-CG2 4Å; L416-V450 HydrophobicContact CG-CB 3.76Å; L416-V450 HydrophobicContact CG-CG1 3.83Å; L416-V450 HydrophobicContact CG-CG2 4.38Å; L416-L451 HydrophobicContact CD1-CD2 3.97Å; L416-L451 HydrophobicContact CD1-CG 3.81Å
417	A	97.8	Very high	96.3	Very high	30 Å²	30	36.8 Å²	36.8	25%	0.248	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-42.1	-179	0	0	0	0	0	111.9	I244 Y405 N413 H414 H415 K421	I244-A417 HydrophobicContact CD1-CB 3.8Å; Y405-A417 WeakPolarHBondContact OH-CB 3.5Å; N413-A417 VanDerWaalsContact O-CB 3.24Å; N413-A417 WeakPolarHBondContact O-CB 3.26Å; N413-A417 PolarHBondContact O-N 3.37Å; H414-A417 CarbonylContact O-C 3.6Å; H414-A417 WeakPolarHBondContact O-CB 3.4Å; H414-A417 PolarHBondContact O-N 3.47Å; H415-A417 PolarHBondContact O-N 3.36Å; A417-K421 WeakPolarHBondContact O-CB 3.36Å; A417-K421 PolarHBondContact O-N 3.29Å; A417-K421 VanDerWaalsContact O-N 3.08Å
418	V	97.8	Very high	96.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.9	-55.9	176.4	171.8	0	0	0	0	110.6	I244 V384 D385 H414 H415 F420 K421 L422	I244-V418 HydrophobicContact CG2-CG2 4.04Å; V384-V418 HydrophobicContact CG1-CB 3.94Å; V384-V418 HydrophobicContact CG1-CG1 3.8Å; V384-V418 HydrophobicContact CG2-CG1 3.91Å; D385-V418 HydrophobicContact CB-CG1 4.35Å; D385-V418 HydrophobicContact CB-CG2 4.16Å; H414-V418 WeakPolarHBondContact O-CG2 3.49Å; H414-V418 PolarHBondContact O-N 2.99Å; H415-V418 PolarHBondContact O-N 2.97Å; V418-F420 VanDerWaalsContact C-N 3.34Å; V418-F420 PolarHBondContact O-N 3.46Å; V418-K421 WeakPolarHBondContact O-CA 3.26Å; V418-K421 WeakPolarHBondContact O-CB 3.36Å; V418-K421 PolarHBondContact O-N 2.87Å; V418-L422 HydrophobicContact CG1-CD1 4.32Å; V418-L422 HydrophobicContact CG1-CG 4.3Å; V418-L422 WeakPolarHBondContact O-CG 3.16Å; V418-L422 PolarHBondContact O-N 3.18Å
419	G	97.6	Very high	96.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-55.1	-45	-177.6	0	0	0	0	0	113.1	Y327 H415 K421	Y327-G419 PolarHBondContact OH-O 3.39Å; H415-G419 PolarHBondContact O-N 3.13Å; G419-K421 PolarHBondContact O-N 3.39Å
420	F	98.3	Very high	96.5	Very high	12 Å²	12	30 Å²	30	5%	0.053	15%	0.15	C	C	.	.	H	α-helix	trans	-74.8	-19.6	174.6	-80.5	-78.8	0	0	0	114.7	F377 I381 L416 V418 L423 L442 R443 V446	F377-F420 HydrophobicContact CE1-CE1 4.45Å; F377-F420 HydrophobicContact CE1-CE2 4.47Å; F377-F420 HydrophobicContact CE1-CZ 4.18Å; I381-F420 HydrophobicContact CD1-CD2 4.48Å; I381-F420 HydrophobicContact CD1-CE2 4.45Å; L416-F420 HydrophobicContact CD2-CD2 4.24Å; L416-F420 HydrophobicContact CD2-CE2 3.95Å; L416-F420 WeakPolarHBondContact O-CB 3.4Å; L416-F420 WeakPolarHBondContact O-CD2 3.24Å; L416-F420 PolarHBondContact O-N 2.99Å; L416-F420 VanDerWaalsContact O-N 3.14Å; V418-F420 VanDerWaalsContact C-N 3.34Å; V418-F420 PolarHBondContact O-N 3.46Å; F420-L423 HydrophobicContact CD1-CD1 3.73Å; F420-L423 HydrophobicContact CE1-CD1 4.28Å; F420-L442 HydrophobicContact CE1-CD2 4.48Å; F420-L442 HydrophobicContact CZ-CD2 4.48Å; F420-R443 HydrophobicContact CE1-CB 4.1Å; F420-R443 HydrophobicContact CE1-CG 4.08Å; F420-R443 HydrophobicContact CE2-CG 4.49Å; F420-R443 HydrophobicContact CZ-CB 4.12Å; F420-R443 HydrophobicContact CZ-CG 3.99Å; F420-V446 HydrophobicContact CE2-CB 4.02Å; F420-V446 HydrophobicContact CE2-CG1 3.57Å; F420-V446 HydrophobicContact CZ-CB 3.87Å; F420-V446 HydrophobicContact CZ-CG1 3.83Å; F420-V446 HydrophobicContact CZ-CG2 4.37Å
421	K	96.1	Very high	96.5	Very high	51 Å²	51	30.2 Å²	30.2	22%	0.222	15%	0.151	C	C	.	.	H	α-helix	trans	-78.4	-34.5	174.2	171.4	62	-161.2	107.1	0	112.1	I244 V247 A417 V418 G419 L423 Q424 E425	I244-K421 HydrophobicContact CD1-CB 4.08Å; I244-K421 HydrophobicContact CD1-CG 4.29Å; V247-K421 HydrophobicContact CG2-CG 3.98Å; A417-K421 WeakPolarHBondContact O-CB 3.36Å; A417-K421 PolarHBondContact O-N 3.29Å; A417-K421 VanDerWaalsContact O-N 3.08Å; V418-K421 WeakPolarHBondContact O-CA 3.26Å; V418-K421 WeakPolarHBondContact O-CB 3.36Å; V418-K421 PolarHBondContact O-N 2.87Å; G419-K421 PolarHBondContact O-N 3.39Å; K421-L423 VanDerWaalsContact C-N 3.26Å; K421-L423 PolarHBondContact O-N 3.23Å; K421-Q424 WeakPolarHBondContact O-CB 3.22Å; K421-Q424 PolarHBondContact O-N 2.93Å; K421-E425 IonicContact NZ-OE1 2.71Å; K421-E425 PolarHBondContact NZ-OE1 3.02Å
422	L	95.1	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-33.1	178	-65	-174.9	0	0	0	112.2	V247 Y327 T330 L331 H334 V418 Q424 E425 C428	V247-L422 HydrophobicContact CG1-CD2 4.01Å; Y327-L422 HydrophobicContact CD2-CB 4.43Å; Y327-L422 HydrophobicContact CE2-CB 3.86Å; T330-L422 HydrophobicContact CG2-CD1 4.38Å; T330-L422 HydrophobicContact CG2-CD2 4.06Å; L331-L422 HydrophobicContact CB-CD1 4.38Å; L331-L422 HydrophobicContact CD1-CD1 4.19Å; H334-L422 HydrophobicContact CB-CD1 4.44Å; V418-L422 HydrophobicContact CG1-CD1 4.32Å; V418-L422 HydrophobicContact CG1-CG 4.3Å; V418-L422 WeakPolarHBondContact O-CG 3.16Å; V418-L422 PolarHBondContact O-N 3.18Å; L422-Q424 PolarHBondContact O-N 3.15Å; L422-E425 PolarHBondContact O-N 2.84Å; L422-C428 WeakPolarHBondContact O-CB 3.24Å
423	L	95.4	Very high	96.3	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.047	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-15.5	171.8	-64.3	170.9	0	0	0	114.6	Y327 F377 F420 K421 D429 I430 F431	Y327-L423 HydrophobicContact CD2-CD2 3.79Å; Y327-L423 HydrophobicContact CD2-CG 4.44Å; Y327-L423 HydrophobicContact CE2-CD2 3.53Å; Y327-L423 HydrophobicContact CE2-CG 3.84Å; F377-L423 HydrophobicContact CZ-CD1 4.36Å; F420-L423 HydrophobicContact CD1-CD1 3.73Å; F420-L423 HydrophobicContact CE1-CD1 4.28Å; K421-L423 VanDerWaalsContact C-N 3.26Å; K421-L423 PolarHBondContact O-N 3.23Å; L423-D429 WeakPolarHBondContact O-CA 3.3Å; L423-D429 WeakPolarHBondContact O-CB 3.35Å; L423-D429 PolarHBondContact O-N 3.39Å; L423-I430 HydrophobicContact CD2-CG1 3.69Å; L423-F431 HydrophobicContact CD1-CD2 3.73Å; L423-F431 HydrophobicContact CD1-CE2 3.9Å; L423-F431 HydrophobicContact CD2-CD2 4.11Å; L423-F431 HydrophobicContact CD2-CE2 4.26Å
424	Q	93.5	Very high	96.2	Very high	114 Å²	114	36 Å²	36	53%	0.533	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-3.4	-179.6	-53.1	173.6	10.5	0	0	113.4	K421 L422	K421-Q424 WeakPolarHBondContact O-CB 3.22Å; K421-Q424 PolarHBondContact O-N 2.93Å; L422-Q424 PolarHBondContact O-N 3.15Å
425	E	90.9	Very high	96.2	Very high	56 Å²	56	39.6 Å²	39.6	26%	0.262	20%	0.202	S	C	.	.	S	Bend	trans	-78.1	167.6	173.9	-61.4	-56.1	127.6	0	0	111.2	L250 K421 L422 N427 C428	L250-E425 HydrophobicContact CD1-CB 4.29Å; L250-E425 HydrophobicContact CD1-CG 4.45Å; K421-E425 IonicContact NZ-OE1 2.71Å; K421-E425 PolarHBondContact NZ-OE1 3.02Å; L422-E425 PolarHBondContact O-N 2.84Å; E425-N427 PolarHBondContact O-N 3.33Å; E425-C428 HydrophobicContact CB-CB 4.23Å; E425-C428 WeakPolarHBondContact O-CB 3.38Å; E425-C428 PolarHBondContact O-N 3.02Å
426	E	89.9	Confident	96.1	Very high	176 Å²	176	45.5 Å²	45.5	82%	0.822	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	127.3	-174.1	-171.9	164.2	-161.2	0	0	111.2	C428	E426-C428 PolarHBondContact O-N 3.01Å; E426-C428 PolarHBondContact O-SG 2.99Å; E426-C428 VanDerWaalsContact O-SG 3.38Å
427	N	93.4	Very high	95.9	Very high	58 Å²	58	53.1 Å²	53.1	31%	0.31	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	26.7	-176.4	-161.9	39	0	0	0	115.3	D322 T323 T326 E425	D322-N427 PolarHBondContact OD2-ND2 3.02Å; T323-N427 VanDerWaalsContact CA-O 3.27Å; T323-N427 WeakPolarHBondContact CA-O 3.38Å; T323-N427 WeakPolarHBondContact CG2-O 3.49Å; T323-N427 PolarHBondContact OG1-OD1 3.2Å; T326-N427 HydrophobicContact CG2-CB 4.27Å; T326-N427 PolarHBondContact OG1-ND2 3.24Å; T326-N427 VanDerWaalsContact OG1-ND2 3.12Å; E425-N427 PolarHBondContact O-N 3.33Å
428	C	95.4	Very high	95.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.262	C	S	.	.			trans	-106	-6	-177.8	-68.8	0	0	0	0	115.4	Y327 L422 E425 E426 I430	Y327-C428 HydrophobicContact CD2-CB 4.21Å; Y327-C428 WeakPolarHBondContact CD2-O 3.25Å; L422-C428 WeakPolarHBondContact O-CB 3.24Å; E425-C428 HydrophobicContact CB-CB 4.23Å; E425-C428 WeakPolarHBondContact O-CB 3.38Å; E425-C428 PolarHBondContact O-N 3.02Å; E426-C428 PolarHBondContact O-N 3.01Å; E426-C428 PolarHBondContact O-SG 2.99Å; E426-C428 VanDerWaalsContact O-SG 3.38Å; C428-I430 PolarHBondContact O-N 2.96Å
429	D	97.3	Very high	95.9	Very high	31 Å²	31	58.2 Å²	58.2	17%	0.166	28%	0.275	C	S	.	.			trans	-79.4	81.2	-177.4	-169.8	9.4	0	0	0	112.8	L423 F431 Q432 R439	L423-D429 WeakPolarHBondContact O-CA 3.3Å; L423-D429 WeakPolarHBondContact O-CB 3.35Å; L423-D429 PolarHBondContact O-N 3.39Å; D429-F431 PolarHBondContact O-N 3.07Å; D429-F431 VanDerWaalsContact O-N 3.12Å; D429-F431 PolarHBondContact OD1-N 2.9Å; D429-F431 VanDerWaalsContact OD1-N 3.13Å; D429-Q432 HydrophobicContact CB-CB 4.16Å; D429-Q432 WeakPolarHBondContact O-CB 3.5Å; D429-Q432 VanDerWaalsContact O-CG 3.28Å; D429-Q432 WeakPolarHBondContact O-CG 3.41Å; D429-Q432 PolarHBondContact O-N 3.45Å; D429-Q432 VanDerWaalsContact O-N 3.13Å; D429-Q432 PolarHBondContact O-NE2 3.43Å; D429-Q432 PolarHBondContact OD1-N 3.35Å; D429-Q432 WeakPolarHBondContact OD2-CA 3.42Å; D429-R439 VanDerWaalsContact CG-NH2 3.32Å; D429-R439 IonicContact OD1-CZ 2.61Å; D429-R439 IonicContact OD1-NH1 2.74Å; D429-R439 PolarHBondContact OD1-NH1 3.14Å; D429-R439 IonicContact OD1-NH2 3.2Å; D429-R439 PolarHBondContact OD1-NH2 2.89Å; D429-R439 IonicContact OD2-CZ 3.84Å; D429-R439 IonicContact OD2-NH1 2.7Å; D429-R439 PolarHBondContact OD2-NH1 3.2Å; D429-R439 IonicContact OD2-NH2 2.63Å; D429-R439 PolarHBondContact OD2-NH2 3.34Å; D429-R439 VanDerWaalsContact OD2-NH2 3.17Å
430	I	97.9	Very high	95.8	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.015	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.3	175.7	64.6	165.1	0	0	0	113.2	I319 T323 F324 Y327 F377 L423 C428	I319-I430 HydrophobicContact CG2-CB 3.84Å; I319-I430 HydrophobicContact CG2-CG2 4.2Å; T323-I430 HydrophobicContact CG2-CG2 4.33Å; F324-I430 HydrophobicContact CB-CG2 4.46Å; F324-I430 HydrophobicContact CD2-CB 4.48Å; F324-I430 HydrophobicContact CD2-CD1 4.47Å; F324-I430 HydrophobicContact CD2-CG2 3.97Å; F324-I430 HydrophobicContact CE2-CD1 4.48Å; Y327-I430 HydrophobicContact CD1-CD1 4Å; Y327-I430 HydrophobicContact CD1-CG1 4.48Å; Y327-I430 HydrophobicContact CD1-CG2 4.24Å; Y327-I430 HydrophobicContact CE1-CD1 4.2Å; Y327-I430 HydrophobicContact CG-CG2 3.93Å; F377-I430 HydrophobicContact CD2-CD1 4Å; F377-I430 HydrophobicContact CE2-CD1 3.88Å; L423-I430 HydrophobicContact CD2-CG1 3.69Å; C428-I430 PolarHBondContact O-N 2.96Å
431	F	97.9	Very high	95.7	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.018	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	10.3	178.3	-57.6	-39.6	0	0	0	113.4	L373 F377 L423 D429 N433 L434 R439 L442	L373-F431 HydrophobicContact CD1-CE1 4.32Å; L373-F431 HydrophobicContact CD2-CD1 4.43Å; L373-F431 HydrophobicContact CD2-CE1 3.97Å; L373-F431 HydrophobicContact CG-CE1 4.28Å; F377-F431 HydrophobicContact CB-CZ 4.47Å; F377-F431 HydrophobicContact CD1-CE2 4.32Å; F377-F431 HydrophobicContact CD1-CZ 4.09Å; F377-F431 HydrophobicContact CD2-CE2 4.18Å; F377-F431 AromaticContact CD2-CZ 3.57Å; F377-F431 HydrophobicContact CD2-CZ 3.57Å; F377-F431 AromaticContact CE1-CE2 3.97Å; F377-F431 HydrophobicContact CE1-CE2 3.97Å; F377-F431 HydrophobicContact CE1-CZ 4.18Å; F377-F431 AromaticContact CE2-CE2 3.81Å; F377-F431 HydrophobicContact CE2-CE2 3.81Å; F377-F431 AromaticContact CE2-CZ 3.67Å; F377-F431 HydrophobicContact CE2-CZ 3.67Å; F377-F431 HydrophobicContact CG-CE2 4.41Å; F377-F431 AromaticContact CG-CZ 3.78Å; F377-F431 HydrophobicContact CG-CZ 3.78Å; F377-F431 AromaticContact CZ-CE2 3.71Å; F377-F431 HydrophobicContact CZ-CE2 3.71Å; F377-F431 AromaticContact CZ-CZ 3.98Å; F377-F431 HydrophobicContact CZ-CZ 3.98Å; L423-F431 HydrophobicContact CD1-CD2 3.73Å; L423-F431 HydrophobicContact CD1-CE2 3.9Å; L423-F431 HydrophobicContact CD2-CD2 4.11Å; L423-F431 HydrophobicContact CD2-CE2 4.26Å; D429-F431 PolarHBondContact O-N 3.07Å; D429-F431 VanDerWaalsContact O-N 3.12Å; D429-F431 PolarHBondContact OD1-N 2.9Å; D429-F431 VanDerWaalsContact OD1-N 3.13Å; F431-N433 PolarHBondContact O-N 3.48Å; F431-N433 VanDerWaalsContact O-N 3.13Å; F431-L434 HydrophobicContact CB-CD1 3.9Å; F431-L434 HydrophobicContact CB-CG 4.2Å; F431-L434 HydrophobicContact CD1-CD1 3.73Å; F431-L434 HydrophobicContact CD1-CG 4.44Å; F431-L434 HydrophobicContact CG-CD1 4Å; F431-L434 WeakPolarHBondContact O-CB 3.37Å; F431-L434 PolarHBondContact O-N 3.19Å; F431-L434 VanDerWaalsContact O-N 3.08Å; F431-R439 VanDerWaalsContact C-NH1 3.35Å; F431-R439 WeakPolarHBondContact O-CD 3.27Å; F431-R439 PolarHBondContact O-NH1 2.79Å; F431-L442 HydrophobicContact CD1-CD1 4.24Å; F431-L442 HydrophobicContact CD2-CD2 4.14Å; F431-L442 HydrophobicContact CE1-CD1 3.77Å; F431-L442 HydrophobicContact CE1-CD2 4.36Å; F431-L442 HydrophobicContact CE2-CD1 4.46Å; F431-L442 HydrophobicContact CE2-CD2 3.59Å; F431-L442 HydrophobicContact CZ-CD1 3.89Å; F431-L442 HydrophobicContact CZ-CD2 3.72Å; F431-L442 HydrophobicContact CZ-CG 4.49Å
432	Q	96.4	Very high	95.9	Very high	89 Å²	89	60.5 Å²	60.5	42%	0.416	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.2	-177.6	65.4	-172.5	-62.6	0	0	114.3	D429	D429-Q432 HydrophobicContact CB-CB 4.16Å; D429-Q432 WeakPolarHBondContact O-CB 3.5Å; D429-Q432 VanDerWaalsContact O-CG 3.28Å; D429-Q432 WeakPolarHBondContact O-CG 3.41Å; D429-Q432 PolarHBondContact O-N 3.45Å; D429-Q432 VanDerWaalsContact O-N 3.13Å; D429-Q432 PolarHBondContact O-NE2 3.43Å; D429-Q432 PolarHBondContact OD1-N 3.35Å; D429-Q432 WeakPolarHBondContact OD2-CA 3.42Å
433	N	97.3	Very high	96	Very high	91 Å²	91	62.9 Å²	62.9	49%	0.487	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	0.2	-177.7	-70.8	-39.3	0	0	0	114.5	K318 F431	K318-N433 HydrophobicContact CB-CB 4.27Å; K318-N433 PolarHBondContact O-ND2 2.78Å; F431-N433 PolarHBondContact O-N 3.48Å; F431-N433 VanDerWaalsContact O-N 3.13Å
434	L	97.6	Very high	96	Very high	15 Å²	15	64.7 Å²	64.7	8%	0.079	31%	0.308	C	S	.	.	S	Bend	trans	-77.4	142.4	173.1	-62.8	-170	0	0	0	111.4	F317 L370 F431 Q438 R439 L442	F317-L434 HydrophobicContact CB-CD2 3.96Å; F317-L434 HydrophobicContact CD1-CD2 3.28Å; F317-L434 HydrophobicContact CE1-CD2 4.05Å; F317-L434 HydrophobicContact CG-CD2 3.92Å; L370-L434 HydrophobicContact CD1-CD1 4.38Å; F431-L434 HydrophobicContact CB-CD1 3.9Å; F431-L434 HydrophobicContact CB-CG 4.2Å; F431-L434 HydrophobicContact CD1-CD1 3.73Å; F431-L434 HydrophobicContact CD1-CG 4.44Å; F431-L434 HydrophobicContact CG-CD1 4Å; F431-L434 WeakPolarHBondContact O-CB 3.37Å; F431-L434 PolarHBondContact O-N 3.19Å; F431-L434 VanDerWaalsContact O-N 3.08Å; L434-Q438 HydrophobicContact CB-CB 4.13Å; L434-R439 HydrophobicContact CB-CG 3.47Å; L434-R439 VanDerWaalsContact CB-CG 3.47Å; L434-R439 HydrophobicContact CD1-CG 4.23Å; L434-R439 HydrophobicContact CG-CG 4.42Å; L434-L442 HydrophobicContact CD1-CD1 4.07Å
435	T	97.6	Very high	96.3	Very high	80 Å²	80	59.4 Å²	59.4	49%	0.491	28%	0.284	S	S	.	.			trans	-64.4	156.7	172.3	64.1	0	0	0	0	111.7	K437 Q438 R439	T435-K437 VanDerWaalsContact C-N 3.25Å; T435-K437 PolarHBondContact O-N 3.17Å; T435-Q438 PolarHBondContact O-N 3.34Å; T435-Q438 WeakPolarHBondContact OG1-CG 3.21Å; T435-Q438 PolarHBondContact OG1-N 3.24Å; T435-Q438 PolarHBondContact OG1-OE1 3.25Å; T435-R439 PolarHBondContact O-N 2.7Å
436	K	95.9	Very high	96.7	Very high	126 Å²	126	56.8 Å²	56.8	55%	0.548	27%	0.271	S	S	.	.	H	α-helix	trans	-51.9	-43.8	178.6	-167.4	-171.6	175.6	-177	0	112.1	E224 R439 Q440	E224-K436 IonicContact OE1-NZ 2.69Å; E224-K436 PolarHBondContact OE1-NZ 3.34Å; K436-R439 PolarHBondContact O-N 3.13Å; K436-Q440 WeakPolarHBondContact O-CB 3.29Å; K436-Q440 VanDerWaalsContact O-CG 3.31Å; K436-Q440 WeakPolarHBondContact O-CG 3.49Å; K436-Q440 PolarHBondContact O-N 3.26Å; K436-Q440 PolarHBondContact O-OE1 3.42Å
437	K	95.6	Very high	97.1	Very high	171 Å²	171	49.5 Å²	49.5	74%	0.743	24%	0.238	S	C	*	.	H	α-helix	trans	-62.3	-44.2	177	-171.7	-177.9	178	-172.9	0	112	T435 Q440 S441	T435-K437 VanDerWaalsContact C-N 3.25Å; T435-K437 PolarHBondContact O-N 3.17Å; K437-Q440 PolarHBondContact O-N 2.93Å; K437-S441 WeakPolarHBondContact O-CB 3.35Å; K437-S441 PolarHBondContact O-N 2.8Å
438	Q	97.4	Very high	97.3	Very high	63 Å²	63	47.9 Å²	47.9	29%	0.294	23%	0.229	S	C	.	.	H	α-helix	trans	-63.2	-43.5	175.9	-74	165.5	-59.4	0	0	111.7	L370 L434 T435 Q440 S441 L442	L370-Q438 HydrophobicContact CD1-CB 4.14Å; L370-Q438 HydrophobicContact CD1-CG 4.4Å; L370-Q438 HydrophobicContact CD2-CB 4.16Å; L370-Q438 HydrophobicContact CD2-CG 4.08Å; L434-Q438 HydrophobicContact CB-CB 4.13Å; T435-Q438 PolarHBondContact O-N 3.34Å; T435-Q438 WeakPolarHBondContact OG1-CG 3.21Å; T435-Q438 PolarHBondContact OG1-N 3.24Å; T435-Q438 PolarHBondContact OG1-OE1 3.25Å; Q438-Q440 VanDerWaalsContact C-N 3.35Å; Q438-Q440 PolarHBondContact O-N 3.43Å; Q438-S441 PolarHBondContact O-N 2.91Å; Q438-L442 VanDerWaalsContact O-CB 3.3Å; Q438-L442 WeakPolarHBondContact O-CB 3.15Å; Q438-L442 PolarHBondContact O-N 2.77Å
439	R	97.4	Very high	97.4	Very high	74 Å²	74	47.9 Å²	47.9	28%	0.279	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-37.5	176.8	-64.2	-169.3	74.3	150	2.9	112.7	D429 F431 L434 T435 K436 R443	D429-R439 VanDerWaalsContact CG-NH2 3.32Å; D429-R439 IonicContact OD1-CZ 2.61Å; D429-R439 IonicContact OD1-NH1 2.74Å; D429-R439 PolarHBondContact OD1-NH1 3.14Å; D429-R439 IonicContact OD1-NH2 3.2Å; D429-R439 PolarHBondContact OD1-NH2 2.89Å; D429-R439 IonicContact OD2-CZ 3.84Å; D429-R439 IonicContact OD2-NH1 2.7Å; D429-R439 PolarHBondContact OD2-NH1 3.2Å; D429-R439 IonicContact OD2-NH2 2.63Å; D429-R439 PolarHBondContact OD2-NH2 3.34Å; D429-R439 VanDerWaalsContact OD2-NH2 3.17Å; F431-R439 VanDerWaalsContact C-NH1 3.35Å; F431-R439 WeakPolarHBondContact O-CD 3.27Å; F431-R439 PolarHBondContact O-NH1 2.79Å; L434-R439 HydrophobicContact CB-CG 3.47Å; L434-R439 VanDerWaalsContact CB-CG 3.47Å; L434-R439 HydrophobicContact CD1-CG 4.23Å; L434-R439 HydrophobicContact CG-CG 4.42Å; T435-R439 PolarHBondContact O-N 2.7Å; K436-R439 PolarHBondContact O-N 3.13Å; R439-R443 WeakPolarHBondContact O-CB 3.32Å; R439-R443 PolarHBondContact O-N 3.18Å
440	Q	95.6	Very high	97.5	Very high	65 Å²	65	46.4 Å²	46.4	30%	0.304	22%	0.221	S	C	.	.	H	α-helix	trans	-66.6	-46.2	173.8	-72.5	172.4	-71.7	0	0	111.4	K436 K437 Q438 R443 K444	K436-Q440 WeakPolarHBondContact O-CB 3.29Å; K436-Q440 VanDerWaalsContact O-CG 3.31Å; K436-Q440 WeakPolarHBondContact O-CG 3.49Å; K436-Q440 PolarHBondContact O-N 3.26Å; K436-Q440 PolarHBondContact O-OE1 3.42Å; K437-Q440 PolarHBondContact O-N 2.93Å; Q438-Q440 VanDerWaalsContact C-N 3.35Å; Q438-Q440 PolarHBondContact O-N 3.43Å; Q440-R443 PolarHBondContact O-N 2.78Å; Q440-K444 PolarHBondContact O-N 3.04Å
441	S	96.9	Very high	97.5	Very high	44 Å²	44	48.8 Å²	48.8	31%	0.308	23%	0.234	S	C	.	.	H	α-helix	trans	-64.8	-47.6	179.5	-154.2	0	0	0	0	112.1	K437 Q438 K444 M445	K437-S441 WeakPolarHBondContact O-CB 3.35Å; K437-S441 PolarHBondContact O-N 2.8Å; Q438-S441 PolarHBondContact O-N 2.91Å; S441-K444 PolarHBondContact O-N 3.04Å; S441-M445 WeakPolarHBondContact O-CG 3.47Å; S441-M445 PolarHBondContact O-N 3.39Å
442	L	98.5	Very high	97.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-45.8	175.2	-179.6	151.9	0	0	0	110.8	L370 L373 A374 F420 F431 L434 Q438 K444 M445 V446	L370-L442 HydrophobicContact CD1-CB 4.24Å; L370-L442 HydrophobicContact CD1-CD1 4.13Å; L370-L442 HydrophobicContact CG-CB 4.49Å; L373-L442 HydrophobicContact CD2-CD1 3.54Å; L373-L442 HydrophobicContact CG-CD1 3.78Å; A374-L442 HydrophobicContact CB-CG 4.23Å; F420-L442 HydrophobicContact CE1-CD2 4.48Å; F420-L442 HydrophobicContact CZ-CD2 4.48Å; F431-L442 HydrophobicContact CD1-CD1 4.24Å; F431-L442 HydrophobicContact CD2-CD2 4.14Å; F431-L442 HydrophobicContact CE1-CD1 3.77Å; F431-L442 HydrophobicContact CE1-CD2 4.36Å; F431-L442 HydrophobicContact CE2-CD1 4.46Å; F431-L442 HydrophobicContact CE2-CD2 3.59Å; F431-L442 HydrophobicContact CZ-CD1 3.89Å; F431-L442 HydrophobicContact CZ-CD2 3.72Å; F431-L442 HydrophobicContact CZ-CG 4.49Å; L434-L442 HydrophobicContact CD1-CD1 4.07Å; Q438-L442 VanDerWaalsContact O-CB 3.3Å; Q438-L442 WeakPolarHBondContact O-CB 3.15Å; Q438-L442 PolarHBondContact O-N 2.77Å; L442-K444 VanDerWaalsContact C-N 3.3Å; L442-K444 PolarHBondContact O-N 3.21Å; L442-M445 PolarHBondContact O-N 3.43Å; L442-V446 HydrophobicContact CD2-CG2 3.91Å; L442-V446 HydrophobicContact CG-CG2 4.24Å; L442-V446 WeakPolarHBondContact O-CB 3.34Å; L442-V446 VanDerWaalsContact O-CG2 3.25Å; L442-V446 WeakPolarHBondContact O-CG2 3.32Å; L442-V446 PolarHBondContact O-N 3.3Å
443	R	98.1	Very high	97.6	Very high	51 Å²	51	45 Å²	45	19%	0.192	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-40.9	177	177.6	168.2	175.1	73.4	0.1	112	M225 F420 R439 Q440 I447	M225-R443 VanDerWaalsContact CG-CD 3.49Å; M225-R443 VanDerWaalsContact SD-CD 3.59Å; M225-R443 PolarHBondContact SD-NE 3.47Å; M225-R443 VanDerWaalsContact SD-NE 3.38Å; F420-R443 HydrophobicContact CE1-CB 4.1Å; F420-R443 HydrophobicContact CE1-CG 4.08Å; F420-R443 HydrophobicContact CE2-CG 4.49Å; F420-R443 HydrophobicContact CZ-CB 4.12Å; F420-R443 HydrophobicContact CZ-CG 3.99Å; R439-R443 WeakPolarHBondContact O-CB 3.32Å; R439-R443 PolarHBondContact O-N 3.18Å; Q440-R443 PolarHBondContact O-N 2.78Å; R443-I447 HydrophobicContact CG-CD1 3.71Å; R443-I447 HydrophobicContact CG-CG1 4.44Å; R443-I447 WeakPolarHBondContact O-CB 3.35Å; R443-I447 WeakPolarHBondContact O-CD1 3.11Å; R443-I447 WeakPolarHBondContact O-CG1 3.49Å; R443-I447 PolarHBondContact O-N 3.34Å; R443-I447 VanDerWaalsContact O-N 3.12Å
444	K	96.3	Very high	97.7	Very high	47 Å²	47	41 Å²	41	20%	0.204	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-54.5	174.4	177.2	171.7	172	40.2	0	111	H221 Q440 S441 L442 V446 I447 D448 Y485	H221-K444 HydrophobicContact CB-CD 3.88Å; H221-K444 HydrophobicContact CB-CG 4.44Å; Q440-K444 PolarHBondContact O-N 3.04Å; S441-K444 PolarHBondContact O-N 3.04Å; L442-K444 VanDerWaalsContact C-N 3.3Å; L442-K444 PolarHBondContact O-N 3.21Å; K444-V446 VanDerWaalsContact C-N 3.33Å; K444-V446 PolarHBondContact O-N 2.95Å; K444-I447 PolarHBondContact O-N 3.34Å; K444-I447 VanDerWaalsContact O-N 3.07Å; K444-D448 VanDerWaalsContact CE-OD2 3.25Å; K444-D448 WeakPolarHBondContact CE-OD2 3.28Å; K444-D448 VanDerWaalsContact CG-OD2 3.3Å; K444-D448 WeakPolarHBondContact CG-OD2 3.44Å; K444-D448 IonicContact NZ-OD1 2.7Å; K444-D448 PolarHBondContact NZ-OD1 2.8Å; K444-D448 IonicContact NZ-OD2 3.17Å; K444-D448 PolarHBondContact NZ-OD2 3.2Å; K444-D448 VanDerWaalsContact O-CG 3.22Å; K444-D448 PolarHBondContact O-N 3.44Å; K444-Y485 HydrophobicContact CD-CE1 4.44Å; K444-Y485 WeakPolarHBondContact CE-OH 3.3Å
445	M	98.5	Very high	97.5	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-42.5	-176.2	-65.9	179.6	-53	0	0	112.1	L370 E371 A374 S441 L442 I447 D448 I449 Y485 I489	L370-M445 HydrophobicContact CD2-CE 4.29Å; L370-M445 HydrophobicContact CG-CE 4.07Å; L370-M445 WeakPolarHBondContact O-CE 3.48Å; E371-M445 HydrophobicContact CB-SD 4.48Å; E371-M445 HydrophobicContact CG-CE 4.06Å; E371-M445 HydrophobicContact CG-SD 3.51Å; E371-M445 VanDerWaalsContact CG-SD 3.51Å; A374-M445 HydrophobicContact CB-CB 3.88Å; A374-M445 HydrophobicContact CB-CE 3.82Å; S441-M445 WeakPolarHBondContact O-CG 3.47Å; S441-M445 PolarHBondContact O-N 3.39Å; L442-M445 PolarHBondContact O-N 3.43Å; M445-I447 PolarHBondContact O-N 2.9Å; M445-D448 PolarHBondContact O-N 3.22Å; M445-I449 WeakPolarHBondContact O-CB 3.47Å; M445-I449 WeakPolarHBondContact O-CD1 3.2Å; M445-I449 WeakPolarHBondContact O-CG1 3.39Å; M445-I449 PolarHBondContact O-N 3.3Å; M445-Y485 HydrophobicContact CG-CE2 3.8Å; M445-Y485 WeakPolarHBondContact CG-OH 3.4Å; M445-Y485 HydrophobicContact SD-CE2 4.03Å; M445-I489 HydrophobicContact CB-CD1 3.97Å; M445-I489 HydrophobicContact CG-CD1 4.05Å
446	V	98.8	Very high	97.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.7	-38.2	176.5	176.5	0	0	0	0	112	A374 F377 A378 I381 L416 F420 L442 K444 V450	A374-V446 HydrophobicContact CB-CG2 3.95Å; F377-V446 HydrophobicContact CD1-CG1 3.91Å; F377-V446 HydrophobicContact CD1-CG2 3.78Å; F377-V446 HydrophobicContact CE1-CG1 4.13Å; F377-V446 HydrophobicContact CE1-CG2 4.49Å; A378-V446 HydrophobicContact CB-CG1 4.09Å; I381-V446 HydrophobicContact CD1-CG1 3.91Å; L416-V446 HydrophobicContact CD2-CG1 3.95Å; F420-V446 HydrophobicContact CE2-CB 4.02Å; F420-V446 HydrophobicContact CE2-CG1 3.57Å; F420-V446 HydrophobicContact CZ-CB 3.87Å; F420-V446 HydrophobicContact CZ-CG1 3.83Å; F420-V446 HydrophobicContact CZ-CG2 4.37Å; L442-V446 HydrophobicContact CD2-CG2 3.91Å; L442-V446 HydrophobicContact CG-CG2 4.24Å; L442-V446 WeakPolarHBondContact O-CB 3.34Å; L442-V446 VanDerWaalsContact O-CG2 3.25Å; L442-V446 WeakPolarHBondContact O-CG2 3.32Å; L442-V446 PolarHBondContact O-N 3.3Å; K444-V446 VanDerWaalsContact C-N 3.33Å; K444-V446 PolarHBondContact O-N 2.95Å; V446-V450 HydrophobicContact CG1-CG2 4.35Å; V446-V450 WeakPolarHBondContact O-CG2 3.33Å; V446-V450 PolarHBondContact O-N 3.45Å
447	I	98.6	Very high	97	Very high	24 Å²	24	41.6 Å²	41.6	12%	0.123	20%	0.204	C	C	.	.	H	α-helix	trans	-65.7	-47.3	174.6	-70.3	166.6	0	0	0	110.8	L416 R443 K444 M445 I449 L451	L416-I447 HydrophobicContact CD1-CB 4.31Å; L416-I447 HydrophobicContact CD1-CG1 4.2Å; L416-I447 HydrophobicContact CD1-CG2 4.21Å; L416-I447 HydrophobicContact CD2-CG1 3.99Å; R443-I447 HydrophobicContact CG-CD1 3.71Å; R443-I447 HydrophobicContact CG-CG1 4.44Å; R443-I447 WeakPolarHBondContact O-CB 3.35Å; R443-I447 WeakPolarHBondContact O-CD1 3.11Å; R443-I447 WeakPolarHBondContact O-CG1 3.49Å; R443-I447 PolarHBondContact O-N 3.34Å; R443-I447 VanDerWaalsContact O-N 3.12Å; K444-I447 PolarHBondContact O-N 3.34Å; K444-I447 VanDerWaalsContact O-N 3.07Å; M445-I447 PolarHBondContact O-N 2.9Å; I447-I449 VanDerWaalsContact C-N 3.25Å; I447-I449 PolarHBondContact O-N 3.3Å; I447-L451 HydrophobicContact CG2-CD1 3.73Å; I447-L451 HydrophobicContact CG2-CG 4.33Å; I447-L451 WeakPolarHBondContact O-CB 3.32Å; I447-L451 VanDerWaalsContact O-CG 3.31Å; I447-L451 WeakPolarHBondContact O-CG 3.3Å; I447-L451 PolarHBondContact O-N 2.82Å
448	D	97.7	Very high	96.9	Very high	23 Å²	23	33.8 Å²	33.8	12%	0.123	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-37.7	178.9	-60.5	-20.5	0	0	0	111.4	K444 M445 Y485 I489 Q493	K444-D448 VanDerWaalsContact CE-OD2 3.25Å; K444-D448 WeakPolarHBondContact CE-OD2 3.28Å; K444-D448 VanDerWaalsContact CG-OD2 3.3Å; K444-D448 WeakPolarHBondContact CG-OD2 3.44Å; K444-D448 IonicContact NZ-OD1 2.7Å; K444-D448 PolarHBondContact NZ-OD1 2.8Å; K444-D448 IonicContact NZ-OD2 3.17Å; K444-D448 PolarHBondContact NZ-OD2 3.2Å; K444-D448 VanDerWaalsContact O-CG 3.22Å; K444-D448 PolarHBondContact O-N 3.44Å; M445-D448 PolarHBondContact O-N 3.22Å; D448-Y485 PolarHBondContact OD2-OH 3.1Å; D448-I489 HydrophobicContact CB-CD1 4.08Å; D448-I489 HydrophobicContact CB-CG1 3.72Å; D448-Q493 PolarHBondContact O-NE2 2.74Å
449	I	98.8	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-74.2	-51.2	179.7	-67.6	164.7	0	0	0	112.4	A375 A378 M445 I447 L451 A452 I489 L492 Q493 V496	A375-I449 HydrophobicContact CB-CD1 4.34Å; A378-I449 HydrophobicContact CB-CB 4Å; A378-I449 HydrophobicContact CB-CG2 3.56Å; M445-I449 WeakPolarHBondContact O-CB 3.47Å; M445-I449 WeakPolarHBondContact O-CD1 3.2Å; M445-I449 WeakPolarHBondContact O-CG1 3.39Å; M445-I449 PolarHBondContact O-N 3.3Å; I447-I449 VanDerWaalsContact C-N 3.25Å; I447-I449 PolarHBondContact O-N 3.3Å; I449-L451 VanDerWaalsContact C-N 3.32Å; I449-L451 PolarHBondContact O-N 3.28Å; I449-A452 VanDerWaalsContact O-CB 3.22Å; I449-A452 WeakPolarHBondContact O-CB 3.5Å; I449-A452 PolarHBondContact O-N 2.78Å; I449-I489 HydrophobicContact CD1-CD1 4.05Å; I449-I489 HydrophobicContact CG1-CD1 3.86Å; I449-L492 HydrophobicContact CD1-CB 3.94Å; I449-L492 HydrophobicContact CG1-CB 4.33Å; I449-Q493 HydrophobicContact CG1-CG 4.18Å; I449-V496 HydrophobicContact CG2-CB 3.77Å; I449-V496 HydrophobicContact CG2-CG1 3.98Å; I449-V496 HydrophobicContact CG2-CG2 3.68Å
450	V	98.8	Very high	95.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-70.7	-28.3	-177.6	179.7	0	0	0	0	111.8	A378 I381 H382 H415 L416 V446 A452 T453	A378-V450 HydrophobicContact CB-CG2 3.9Å; I381-V450 HydrophobicContact CG1-CG2 4.3Å; H382-V450 HydrophobicContact CB-CG1 4.26Å; H382-V450 HydrophobicContact CB-CG2 4.26Å; H415-V450 HydrophobicContact CB-CG1 4.45Å; L416-V450 HydrophobicContact CD1-CB 4.05Å; L416-V450 HydrophobicContact CD1-CG1 4.3Å; L416-V450 HydrophobicContact CD2-CB 3.83Å; L416-V450 HydrophobicContact CD2-CG1 4.36Å; L416-V450 HydrophobicContact CD2-CG2 4Å; L416-V450 HydrophobicContact CG-CB 3.76Å; L416-V450 HydrophobicContact CG-CG1 3.83Å; L416-V450 HydrophobicContact CG-CG2 4.38Å; V446-V450 HydrophobicContact CG1-CG2 4.35Å; V446-V450 WeakPolarHBondContact O-CG2 3.33Å; V446-V450 PolarHBondContact O-N 3.45Å; V450-A452 PolarHBondContact O-N 3.42Å; V450-T453 PolarHBondContact O-N 3.04Å; V450-T453 PolarHBondContact O-OG1 2.89Å; V450-T453 VanDerWaalsContact O-OG1 3.05Å
451	L	98.4	Very high	95.6	Very high	53 Å²	53	34.9 Å²	34.9	28%	0.277	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-7.4	170.3	-66.6	179.3	0	0	0	113.6	E412 L416 I447 I449	E412-L451 HydrophobicContact CB-CD2 4.1Å; L416-L451 HydrophobicContact CD1-CD2 3.97Å; L416-L451 HydrophobicContact CD1-CG 3.81Å; I447-L451 HydrophobicContact CG2-CD1 3.73Å; I447-L451 HydrophobicContact CG2-CG 4.33Å; I447-L451 WeakPolarHBondContact O-CB 3.32Å; I447-L451 VanDerWaalsContact O-CG 3.31Å; I447-L451 WeakPolarHBondContact O-CG 3.3Å; I447-L451 PolarHBondContact O-N 2.82Å; I449-L451 VanDerWaalsContact C-N 3.32Å; I449-L451 PolarHBondContact O-N 3.28Å
452	A	97.9	Very high	95	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.025	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-25.7	173.8	0	0	0	0	0	112.9	I449 V450 D454 L461 Q493 H497	I449-A452 VanDerWaalsContact O-CB 3.22Å; I449-A452 WeakPolarHBondContact O-CB 3.5Å; I449-A452 PolarHBondContact O-N 2.78Å; V450-A452 PolarHBondContact O-N 3.42Å; A452-D454 PolarHBondContact O-N 3.25Å; A452-L461 HydrophobicContact CB-CD1 3.89Å; A452-L461 HydrophobicContact CB-CD2 4.09Å; A452-L461 VanDerWaalsContact O-CD1 3.26Å; A452-L461 WeakPolarHBondContact O-CD1 3.39Å; A452-Q493 HydrophobicContact CB-CB 3.88Å; A452-Q493 HydrophobicContact CB-CG 3.94Å; A452-H497 PolarHBondContact O-ND1 2.95Å
453	T	98.4	Very high	94.2	Very high	10 Å²	10	36 Å²	36	6%	0.061	19%	0.194	C	C	.	.			trans	-73.4	-6.3	178.2	63.9	0	0	0	0	113.3	V450 M455 V496	V450-T453 PolarHBondContact O-N 3.04Å; V450-T453 PolarHBondContact O-OG1 2.89Å; V450-T453 VanDerWaalsContact O-OG1 3.05Å; T453-M455 PolarHBondContact O-N 3.29Å; T453-V496 HydrophobicContact CG2-CG1 4.14Å
454	D	98.1	Very high	93.6	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.043	20%	0.201	C	C	.	.			trans	-60.4	107.1	165.7	176.2	-15.6	0	0	0	109.3	S409 E412 A452 S456 K457	S409-D454 VanDerWaalsContact CB-OD2 3.31Å; S409-D454 WeakPolarHBondContact CB-OD2 3.19Å; S409-D454 PolarHBondContact OG-OD2 2.93Å; E412-D454 HydrophobicContact CG-CB 3.81Å; E412-D454 WeakPolarHBondContact OE1-CA 3.17Å; A452-D454 PolarHBondContact O-N 3.25Å; D454-S456 PolarHBondContact O-N 3.29Å; D454-S456 VanDerWaalsContact OD1-CB 3.26Å; D454-S456 WeakPolarHBondContact OD1-CB 3.4Å; D454-S456 PolarHBondContact OD1-N 3.44Å; D454-S456 PolarHBondContact OD1-OG 3.08Å; D454-S456 PolarHBondContact OD2-OG 2.81Å; D454-K457 HydrophobicContact CB-CG 3.91Å; D454-K457 WeakPolarHBondContact O-CA 3.45Å; D454-K457 VanDerWaalsContact O-CB 3.24Å; D454-K457 WeakPolarHBondContact O-CB 3.44Å; D454-K457 WeakPolarHBondContact O-CG 3.42Å; D454-K457 PolarHBondContact O-N 2.8Å; D454-K457 IonicContact OD1-NZ 3.42Å; D454-K457 IonicContact OD2-NZ 2.79Å; D454-K457 PolarHBondContact OD2-NZ 3.07Å
455	M	93.8	Very high	93.2	Very high	84 Å²	84	34.5 Å²	34.5	41%	0.414	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-58.4	-17.5	-175.4	-66.7	-66.3	154.3	0	0	114.3	T453 K457 H458 H497 D500 L501	T453-M455 PolarHBondContact O-N 3.29Å; M455-K457 PolarHBondContact O-N 3.48Å; M455-H458 WeakPolarHBondContact O-CB 3.39Å; M455-H458 PolarHBondContact O-N 3.42Å; M455-H497 VanDerWaalsContact SD-CE1 3.57Å; M455-D500 WeakPolarHBondContact CE-OD2 3.43Å; M455-L501 HydrophobicContact CE-CD1 4.32Å; M455-L501 HydrophobicContact CE-CD2 3.73Å; M455-L501 HydrophobicContact CE-CG 3.94Å; M455-L501 HydrophobicContact SD-CD1 4.14Å; M455-L501 HydrophobicContact SD-CD2 3.99Å; M455-L501 HydrophobicContact SD-CG 4.33Å
456	S	92.4	Very high	92.5	Very high	85 Å²	85	38.5 Å²	38.5	59%	0.594	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-69.6	-10.5	170	72.4	0	0	0	0	114	D454	D454-S456 PolarHBondContact O-N 3.29Å; D454-S456 VanDerWaalsContact OD1-CB 3.26Å; D454-S456 WeakPolarHBondContact OD1-CB 3.4Å; D454-S456 PolarHBondContact OD1-N 3.44Å; D454-S456 PolarHBondContact OD1-OG 3.08Å; D454-S456 PolarHBondContact OD2-OG 2.81Å
457	K	91.5	Very high	91.7	Very high	64 Å²	64	42.1 Å²	42.1	28%	0.278	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-96.9	-16	178.6	-51.9	-59.3	178.7	-68.4	0	113.4	S409 D454 M455 M459 N460 L461	S409-K457 PolarHBondContact OG-NZ 2.93Å; D454-K457 HydrophobicContact CB-CG 3.91Å; D454-K457 WeakPolarHBondContact O-CA 3.45Å; D454-K457 VanDerWaalsContact O-CB 3.24Å; D454-K457 WeakPolarHBondContact O-CB 3.44Å; D454-K457 WeakPolarHBondContact O-CG 3.42Å; D454-K457 PolarHBondContact O-N 2.8Å; D454-K457 IonicContact OD1-NZ 3.42Å; D454-K457 IonicContact OD2-NZ 2.79Å; D454-K457 PolarHBondContact OD2-NZ 3.07Å; M455-K457 PolarHBondContact O-N 3.48Å; K457-M459 VanDerWaalsContact C-N 3.31Å; K457-M459 PolarHBondContact O-N 3.06Å; K457-M459 VanDerWaalsContact O-N 3.14Å; K457-N460 WeakPolarHBondContact O-CB 3.4Å; K457-N460 PolarHBondContact O-N 3.02Å; K457-L461 HydrophobicContact CB-CD1 4.42Å; K457-L461 PolarHBondContact O-N 2.95Å; K457-L461 VanDerWaalsContact O-N 3.13Å
458	H	92.9	Very high	91.1	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.028	23%	0.229	C	C	.	.	H	α-helix	trans	-45.4	-47.6	-174.7	163.5	62.8	0	0	0	114	M455 N460 L461 L462 H497 I558	M455-H458 WeakPolarHBondContact O-CB 3.39Å; M455-H458 PolarHBondContact O-N 3.42Å; H458-N460 VanDerWaalsContact C-N 3.31Å; H458-N460 PolarHBondContact O-N 3.34Å; H458-L461 PolarHBondContact O-N 2.91Å; H458-L462 WeakPolarHBondContact O-CB 3.43Å; H458-L462 PolarHBondContact O-N 3.21Å; H458-H497 AromaticContact CG-NE2 3.89Å; H458-H497 AromaticContact ND1-CD2 3.96Å; H458-H497 AromaticContact ND1-NE2 3.48Å; H458-H497 PolarHBondContact ND1-NE2 2.93Å; H458-I558 PolarHBondContact CE1-O 3.14Å
459	M	85.2	Confident	90.4	Very high	109 Å²	109	42 Å²	42	54%	0.537	23%	0.231	S	C	.	.	H	α-helix	trans	-67.4	-27.2	-179.2	-69.6	-66.7	169.5	0	0	113.8	K457 L462 A463 I558	K457-M459 VanDerWaalsContact C-N 3.31Å; K457-M459 PolarHBondContact O-N 3.06Å; K457-M459 VanDerWaalsContact O-N 3.14Å; M459-L462 HydrophobicContact SD-CD2 4.36Å; M459-A463 WeakPolarHBondContact O-CB 3.46Å; M459-A463 PolarHBondContact O-N 2.9Å; M459-I558 HydrophobicContact CE-CD1 4.03Å
460	N	87.3	Confident	89.7	Confident	103 Å²	103	49.7 Å²	49.7	55%	0.551	27%	0.267	S	S	*	.	H	α-helix	trans	-75	-42.1	172.8	-55.9	-48.5	0	0	0	110.6	K457 H458 L462 A463 D464	K457-N460 WeakPolarHBondContact O-CB 3.4Å; K457-N460 PolarHBondContact O-N 3.02Å; H458-N460 VanDerWaalsContact C-N 3.31Å; H458-N460 PolarHBondContact O-N 3.34Å; N460-L462 VanDerWaalsContact C-N 3.33Å; N460-L462 PolarHBondContact O-N 2.96Å; N460-A463 PolarHBondContact O-N 2.7Å; N460-D464 PolarHBondContact O-N 3.37Å
461	L	90.1	Very high	88.8	Confident	13 Å²	13	54.1 Å²	54.1	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-42.1	177.4	-64.8	170.4	0	0	0	111.4	A452 K457 H458 D464 L465 Q493 N494 H497	A452-L461 HydrophobicContact CB-CD1 3.89Å; A452-L461 HydrophobicContact CB-CD2 4.09Å; A452-L461 VanDerWaalsContact O-CD1 3.26Å; A452-L461 WeakPolarHBondContact O-CD1 3.39Å; K457-L461 HydrophobicContact CB-CD1 4.42Å; K457-L461 PolarHBondContact O-N 2.95Å; K457-L461 VanDerWaalsContact O-N 3.13Å; H458-L461 PolarHBondContact O-N 2.91Å; L461-D464 PolarHBondContact O-N 3.37Å; L461-L465 VanDerWaalsContact O-CB 3.27Å; L461-L465 WeakPolarHBondContact O-CB 3.42Å; L461-L465 PolarHBondContact O-N 3.15Å; L461-Q493 HydrophobicContact CD2-CB 4.26Å; L461-N494 PolarHBondContact O-ND2 2.91Å; L461-N494 PolarHBondContact O-OD1 3.4Å; L461-H497 HydrophobicContact CD1-CB 4.39Å
462	L	85.1	Confident	87.9	Confident	18 Å²	18	55 Å²	55	9%	0.094	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-40.4	175	-177.8	58.5	0	0	0	112.3	H458 M459 N460 L465 K466 P561 T565	H458-L462 WeakPolarHBondContact O-CB 3.43Å; H458-L462 PolarHBondContact O-N 3.21Å; M459-L462 HydrophobicContact SD-CD2 4.36Å; N460-L462 VanDerWaalsContact C-N 3.33Å; N460-L462 PolarHBondContact O-N 2.96Å; L462-L465 PolarHBondContact O-N 3.46Å; L462-K466 WeakPolarHBondContact O-CG 3.45Å; L462-K466 PolarHBondContact O-N 3.29Å; L462-P561 WeakPolarHBondContact CD1-O 3.21Å; L462-P561 HydrophobicContact CD2-CB 4.12Å; L462-T565 HydrophobicContact CD1-CG2 4.43Å; L462-T565 WeakPolarHBondContact CD1-OG1 3.41Å
463	A	82.4	Confident	87.1	Confident	52 Å²	52	60.2 Å²	60.2	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-67.5	-42.6	176	0	0	0	0	0	112.3	M459 N460 L465 K466 T467	M459-A463 WeakPolarHBondContact O-CB 3.46Å; M459-A463 PolarHBondContact O-N 2.9Å; N460-A463 PolarHBondContact O-N 2.7Å; A463-L465 VanDerWaalsContact C-N 3.33Å; A463-K466 PolarHBondContact O-N 2.93Å; A463-T467 WeakPolarHBondContact O-CB 3.38Å; A463-T467 PolarHBondContact O-N 3.39Å; A463-T467 PolarHBondContact O-OG1 3.32Å
464	D	84.7	Confident	86.3	Confident	66 Å²	66	63.1 Å²	63.1	35%	0.353	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-41.6	172.6	-84.3	5	0	0	0	111.1	N460 L461 T467 M468 Q490	N460-D464 PolarHBondContact O-N 3.37Å; L461-D464 PolarHBondContact O-N 3.37Å; D464-T467 PolarHBondContact O-N 3.34Å; D464-M468 WeakPolarHBondContact O-CB 3.29Å; D464-M468 PolarHBondContact O-N 3.16Å; D464-Q490 VanDerWaalsContact CG-NE2 3.25Å; D464-Q490 PolarHBondContact OD2-NE2 3.21Å
465	L	87.8	Confident	85.4	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-67.2	-44.6	178.5	-167.2	67.5	0	0	0	112	L461 L462 A463 M468 V469 N494 L562 T565 L569	L461-L465 VanDerWaalsContact O-CB 3.27Å; L461-L465 WeakPolarHBondContact O-CB 3.42Å; L461-L465 PolarHBondContact O-N 3.15Å; L462-L465 PolarHBondContact O-N 3.46Å; A463-L465 VanDerWaalsContact C-N 3.33Å; L465-M468 WeakPolarHBondContact O-CB 3.41Å; L465-M468 PolarHBondContact O-N 3.35Å; L465-M468 VanDerWaalsContact O-N 3.11Å; L465-V469 WeakPolarHBondContact O-CG2 3.36Å; L465-V469 PolarHBondContact O-N 2.92Å; L465-N494 HydrophobicContact CD1-CB 3.91Å; L465-N494 HydrophobicContact CD2-CB 4.25Å; L465-L562 HydrophobicContact CD2-CD1 4.29Å; L465-T565 HydrophobicContact CB-CG2 4.11Å; L465-T565 HydrophobicContact CD2-CG2 3.8Å; L465-T565 HydrophobicContact CG-CG2 3.71Å; L465-L569 HydrophobicContact CD1-CD2 3.89Å
466	K	83	Confident	84.5	Confident	86 Å²	86	67.5 Å²	67.5	37%	0.374	37%	0.373	S	S	.	.	H	α-helix	trans	-60.7	-45.4	174	-75.4	-165.1	174	-157.7	0	111.4	L462 A463 M468 V469 E470 E564 T565	L462-K466 WeakPolarHBondContact O-CG 3.45Å; L462-K466 PolarHBondContact O-N 3.29Å; A463-K466 PolarHBondContact O-N 2.93Å; K466-M468 PolarHBondContact O-N 3.34Å; K466-V469 PolarHBondContact O-N 3.13Å; K466-V469 VanDerWaalsContact O-N 3.13Å; K466-E470 WeakPolarHBondContact O-CG 3.35Å; K466-E470 PolarHBondContact O-N 3.19Å; K466-E564 IonicContact NZ-OE2 2.61Å; K466-T565 HydrophobicContact CB-CG2 4.29Å; K466-T565 WeakPolarHBondContact CE-OG1 3.43Å; K466-T565 HydrophobicContact CG-CG2 3.44Å; K466-T565 VanDerWaalsContact CG-CG2 3.44Å
467	T	83.8	Confident	83.7	Confident	77 Å²	77	67.8 Å²	67.8	47%	0.472	38%	0.375	S	S	.	.	H	α-helix	trans	-57.8	-36.5	173.7	-52.6	0	0	0	0	111.8	A463 D464 T471	A463-T467 WeakPolarHBondContact O-CB 3.38Å; A463-T467 PolarHBondContact O-N 3.39Å; A463-T467 PolarHBondContact O-OG1 3.32Å; D464-T467 PolarHBondContact O-N 3.34Å; T467-T471 WeakPolarHBondContact O-CB 3.4Å; T467-T471 WeakPolarHBondContact O-CG2 3.19Å; T467-T471 PolarHBondContact O-N 2.73Å; T467-T471 PolarHBondContact O-OG1 3.24Å
468	M	84.5	Confident	83.2	Confident	15 Å²	15	66.8 Å²	66.8	7%	0.074	38%	0.383	C	S	.	.	H	α-helix	trans	-72	-39.4	176.3	-167.4	177.7	-59.4	0	0	112.9	D464 L465 K466 T471 K472 L482 D487 Q490 V491 L569	D464-M468 WeakPolarHBondContact O-CB 3.29Å; D464-M468 PolarHBondContact O-N 3.16Å; L465-M468 WeakPolarHBondContact O-CB 3.41Å; L465-M468 PolarHBondContact O-N 3.35Å; L465-M468 VanDerWaalsContact O-N 3.11Å; K466-M468 PolarHBondContact O-N 3.34Å; M468-T471 CarbonylContact O-C 3.51Å; M468-T471 PolarHBondContact O-N 3.01Å; M468-K472 WeakPolarHBondContact O-CA 3.43Å; M468-K472 WeakPolarHBondContact O-CB 3.22Å; M468-K472 PolarHBondContact O-N 3.05Å; M468-L482 HydrophobicContact SD-CD2 4.07Å; M468-D487 HydrophobicContact CE-CB 4.17Å; M468-D487 WeakPolarHBondContact CE-O 3.33Å; M468-Q490 HydrophobicContact CE-CB 3.57Å; M468-V491 HydrophobicContact CE-CG2 3.96Å; M468-V491 HydrophobicContact SD-CG2 3.27Å; M468-V491 WeakPolarHBondContact SD-CG2 3.03Å; M468-L569 HydrophobicContact CG-CD1 4.34Å
469	V	84.4	Confident	82.8	Confident	29 Å²	29	67.7 Å²	67.7	18%	0.176	39%	0.389	C	S	.	.	H	α-helix	trans	-58.9	-48.9	173.2	169.6	0	0	0	0	110.6	L465 K466 T471 K472 T565 D568 L569	L465-V469 WeakPolarHBondContact O-CG2 3.36Å; L465-V469 PolarHBondContact O-N 2.92Å; K466-V469 PolarHBondContact O-N 3.13Å; K466-V469 VanDerWaalsContact O-N 3.13Å; V469-T471 PolarHBondContact O-N 3.39Å; V469-K472 WeakPolarHBondContact O-CG 3.19Å; V469-K472 PolarHBondContact O-N 3.07Å; V469-T565 HydrophobicContact CG2-CG2 3.94Å; V469-T565 WeakPolarHBondContact CG2-O 3.35Å; V469-D568 HydrophobicContact CG1-CB 3.91Å; V469-D568 HydrophobicContact CG2-CB 4.2Å; V469-L569 HydrophobicContact CG2-CB 3.88Å; V469-L569 HydrophobicContact CG2-CD1 4.16Å
470	E	83.4	Confident	82.8	Confident	161 Å²	161	62.9 Å²	62.9	75%	0.752	37%	0.366	S	S	*	.	H	α-helix	trans	-60.3	-31.5	178.3	-71	174.1	-168.7	0	0	113.3	K466	K466-E470 WeakPolarHBondContact O-CG 3.35Å; K466-E470 PolarHBondContact O-N 3.19Å
471	T	80.1	Confident	82.6	Confident	94 Å²	94	61.8 Å²	61.8	58%	0.577	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	6.7	-177	58.9	0	0	0	0	113.9	T467 M468 V469 K473	T467-T471 WeakPolarHBondContact O-CB 3.4Å; T467-T471 WeakPolarHBondContact O-CG2 3.19Å; T467-T471 PolarHBondContact O-N 2.73Å; T467-T471 PolarHBondContact O-OG1 3.24Å; M468-T471 CarbonylContact O-C 3.51Å; M468-T471 PolarHBondContact O-N 3.01Å; V469-T471 PolarHBondContact O-N 3.39Å; T471-K473 PolarHBondContact O-N 3.04Å
472	K	79.8	Confident	82.4	Confident	71 Å²	71	62 Å²	62	31%	0.309	36%	0.36	S	S	.	.			trans	-64.4	132.2	-169.5	78.6	-176.1	-170	170.1	0	112.5	M468 V469 V474 L480 D568 L569	M468-K472 WeakPolarHBondContact O-CA 3.43Å; M468-K472 WeakPolarHBondContact O-CB 3.22Å; M468-K472 PolarHBondContact O-N 3.05Å; V469-K472 WeakPolarHBondContact O-CG 3.19Å; V469-K472 PolarHBondContact O-N 3.07Å; K472-V474 HydrophobicContact CD-CG2 4.39Å; K472-V474 HydrophobicContact CG-CG2 4.12Å; K472-L480 HydrophobicContact CB-CD1 3.88Å; K472-D568 PolarHBondContact NZ-O 2.91Å; K472-L569 HydrophobicContact CB-CD1 4.4Å; K472-L569 HydrophobicContact CD-CD1 4.23Å; K472-L569 PolarHBondContact NZ-O 2.66Å
473	K	79.4	Confident	82.1	Confident	114 Å²	114	66.3 Å²	66.3	50%	0.496	38%	0.383	S	S	.	.			trans	-100.5	130.4	171	-62.1	174.6	-158.9	168.5	0	108.3	T471 L481 D483	T471-K473 PolarHBondContact O-N 3.04Å; K473-L481 HydrophobicContact CB-CB 3.92Å; K473-L481 HydrophobicContact CB-CD1 4.39Å; K473-L481 PolarHBondContact O-N 2.97Å; K473-D483 IonicContact NZ-OD2 3.77Å; K473-D483 PolarHBondContact NZ-OD2 2.78Å
474	V	81.5	Confident	82.2	Confident	70 Å²	70	67.6 Å²	67.6	42%	0.424	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-122.8	141	-178.5	-168.6	0	0	0	0	109	K472 G478 V479	K472-V474 HydrophobicContact CD-CG2 4.39Å; K472-V474 HydrophobicContact CG-CG2 4.12Å; V474-G478 WeakPolarHBondContact CG1-O 3.41Å; V474-V479 CarbonylContact C-O 3.56Å; V474-V479 WeakPolarHBondContact CA-O 3.41Å
475	T	79.7	Confident	82.4	Confident	45 Å²	45	68.5 Å²	68.5	28%	0.276	38%	0.382	S	S	.	.			trans	-68.8	168.4	172.4	65.5	0	0	0	0	111.3	S477 G478 V479 L481	T475-S477 PolarHBondContact O-N 2.91Å; T475-S477 PolarHBondContact OG1-N 3.49Å; T475-S477 VanDerWaalsContact OG1-N 3.08Å; T475-S477 PolarHBondContact OG1-OG 3.3Å; T475-G478 PolarHBondContact O-N 3.44Å; T475-G478 PolarHBondContact OG1-N 3.1Å; T475-V479 HydrophobicContact CG2-CB 4.28Å; T475-V479 PolarHBondContact N-O 2.88Å; T475-V479 PolarHBondContact OG1-N 3.3Å; T475-V479 PolarHBondContact OG1-O 3.09Å; T475-L481 HydrophobicContact CG2-CD1 4.08Å; T475-L481 HydrophobicContact CG2-CD2 3.71Å; T475-L481 HydrophobicContact CG2-CG 3.79Å
476	S	74.6	Confident	82.3	Confident	140 Å²	140	71.4 Å²	71.4	98%	0.979	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	2	166	60	0	0	0	0	114.4
477	S	77.4	Confident	82.6	Confident	90 Å²	90	69 Å²	69	63%	0.629	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	11.1	176.4	69.2	0	0	0	0	113.3	T475 V479	T475-S477 PolarHBondContact O-N 2.91Å; T475-S477 PolarHBondContact OG1-N 3.49Å; T475-S477 VanDerWaalsContact OG1-N 3.08Å; T475-S477 PolarHBondContact OG1-OG 3.3Å; S477-V479 VanDerWaalsContact C-N 3.34Å; S477-V479 PolarHBondContact O-N 3.39Å
478	G	79.1	Confident	83.1	Confident	44 Å²	44	67.3 Å²	67.3	45%	0.454	38%	0.379	S	S	.	.	S	Bend	trans	83.3	0	178.7	0	0	0	0	0	115.8	V474 T475	V474-G478 WeakPolarHBondContact CG1-O 3.41Å; T475-G478 PolarHBondContact O-N 3.44Å; T475-G478 PolarHBondContact OG1-N 3.1Å
479	V	85.3	Confident	83.6	Confident	25 Å²	25	67.1 Å²	67.1	15%	0.152	38%	0.378	C	S	.	.			trans	-86.5	139.1	-175.7	179.2	0	0	0	0	111.3	E364 V366 V474 T475 S477	E364-V479 WeakPolarHBondContact O-CG1 3.16Å; V366-V479 HydrophobicContact CG2-CG1 3.67Å; V474-V479 CarbonylContact C-O 3.56Å; V474-V479 WeakPolarHBondContact CA-O 3.41Å; T475-V479 HydrophobicContact CG2-CB 4.28Å; T475-V479 PolarHBondContact N-O 2.88Å; T475-V479 PolarHBondContact OG1-N 3.3Å; T475-V479 PolarHBondContact OG1-O 3.09Å; S477-V479 VanDerWaalsContact C-N 3.34Å; S477-V479 PolarHBondContact O-N 3.39Å
480	L	85.2	Confident	84	Confident	7 Å²	7	67.6 Å²	67.6	4%	0.037	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-74	126.9	-178	-172.3	66	0	0	0	112.3	A362 L363 V366 K472 L482 L569	A362-L480 WeakPolarHBondContact O-CB 3.44Å; A362-L480 PolarHBondContact O-N 3.29Å; L363-L480 HydrophobicContact CD2-CB 4.21Å; L363-L480 HydrophobicContact CD2-CD2 3.73Å; V366-L480 VanDerWaalsContact CG2-O 3.27Å; V366-L480 WeakPolarHBondContact CG2-O 3.46Å; K472-L480 HydrophobicContact CB-CD1 3.88Å; L480-L482 HydrophobicContact CD2-CD1 4.27Å; L480-L482 HydrophobicContact CD2-CD2 3.76Å; L480-L482 HydrophobicContact CD2-CG 4.09Å; L480-L482 HydrophobicContact CG-CD2 3.82Å; L480-L482 HydrophobicContact CG-CG 4.09Å; L480-L569 HydrophobicContact CD1-CD1 4.05Å; L480-L569 HydrophobicContact CD2-CD1 3.94Å; L480-L569 HydrophobicContact CD2-CD2 4.16Å; L480-L569 HydrophobicContact CD2-CG 4.03Å
481	L	84.3	Confident	84.7	Confident	80 Å²	80	59.9 Å²	59.9	42%	0.419	34%	0.342	S	S	.	.			trans	-95.3	98.1	178.5	-70.4	174	0	0	0	111.4	K473 T475	K473-L481 HydrophobicContact CB-CB 3.92Å; K473-L481 HydrophobicContact CB-CD1 4.39Å; K473-L481 PolarHBondContact O-N 2.97Å; T475-L481 HydrophobicContact CG2-CD1 4.08Å; T475-L481 HydrophobicContact CG2-CD2 3.71Å; T475-L481 HydrophobicContact CG2-CG 3.79Å
482	L	85.3	Confident	85.5	Confident	18 Å²	18	55.5 Å²	55.5	9%	0.094	32%	0.315	C	S	.	.			trans	-97.2	92.3	174.8	-56.3	-177.5	0	0	0	110.5	V366 F367 M468 L480 N484 D487 R488 V491	V366-L482 HydrophobicContact CG1-CB 4.23Å; V366-L482 HydrophobicContact CG1-CD1 3.68Å; V366-L482 HydrophobicContact CG1-CG 3.97Å; F367-L482 HydrophobicContact CE1-CD1 4.18Å; F367-L482 HydrophobicContact CZ-CD1 4.11Å; M468-L482 HydrophobicContact SD-CD2 4.07Å; L480-L482 HydrophobicContact CD2-CD1 4.27Å; L480-L482 HydrophobicContact CD2-CD2 3.76Å; L480-L482 HydrophobicContact CD2-CG 4.09Å; L480-L482 HydrophobicContact CG-CD2 3.82Å; L480-L482 HydrophobicContact CG-CG 4.09Å; L482-N484 PolarHBondContact O-N 3.21Å; L482-D487 HydrophobicContact CB-CB 4.3Å; L482-D487 HydrophobicContact CD2-CB 3.94Å; L482-R488 HydrophobicContact CB-CG 3.59Å; L482-R488 HydrophobicContact CD1-CG 4.18Å; L482-V491 HydrophobicContact CD1-CB 4.13Å; L482-V491 HydrophobicContact CD1-CG2 3.69Å; L482-V491 HydrophobicContact CD2-CG2 4.17Å
483	D	78.3	Confident	86.4	Confident	108 Å²	108	53.7 Å²	53.7	58%	0.578	31%	0.308	S	S	*	.			trans	-66.8	-28.9	-170.3	-75.5	-38.5	0	0	0	114	K473 D487	K473-D483 IonicContact NZ-OD2 3.77Å; K473-D483 PolarHBondContact NZ-OD2 2.78Å; D483-D487 PolarHBondContact N-OD2 3.24Å
484	N	85.5	Confident	87.3	Confident	80 Å²	80	48.3 Å²	48.3	43%	0.428	28%	0.284	S	S	.	.	S	Bend	trans	-140.6	169	-173.9	85.6	87.9	0	0	0	114.4	L482 S486 D487 R488	L482-N484 PolarHBondContact O-N 3.21Å; N484-S486 VanDerWaalsContact C-N 3.27Å; N484-S486 PolarHBondContact O-N 3.47Å; N484-S486 VanDerWaalsContact OD1-CB 3.22Å; N484-S486 WeakPolarHBondContact OD1-CB 3.48Å; N484-S486 PolarHBondContact OD1-N 3.2Å; N484-D487 PolarHBondContact N-OD2 3.1Å; N484-D487 PolarHBondContact ND2-OD1 3.12Å; N484-D487 PolarHBondContact ND2-OD2 2.82Å; N484-D487 PolarHBondContact O-N 2.87Å; N484-R488 WeakPolarHBondContact O-CD 3.3Å; N484-R488 WeakPolarHBondContact O-CG 3.07Å; N484-R488 PolarHBondContact O-N 3.28Å
485	Y	87.6	Confident	88.1	Confident	85 Å²	85	45 Å²	45	33%	0.333	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-33.3	-175.7	176.6	-92.8	0	0	0	114	K444 M445 D448 R488 I489	K444-Y485 HydrophobicContact CD-CE1 4.44Å; K444-Y485 WeakPolarHBondContact CE-OH 3.3Å; M445-Y485 HydrophobicContact CG-CE2 3.8Å; M445-Y485 WeakPolarHBondContact CG-OH 3.4Å; M445-Y485 HydrophobicContact SD-CE2 4.03Å; D448-Y485 PolarHBondContact OD2-OH 3.1Å; Y485-R488 PolarHBondContact O-N 3.43Å; Y485-I489 HydrophobicContact CD1-CG2 4.29Å; Y485-I489 HydrophobicContact CE1-CB 4.12Å; Y485-I489 HydrophobicContact CE1-CG2 3.88Å; Y485-I489 WeakPolarHBondContact O-CG2 3.3Å; Y485-I489 PolarHBondContact O-N 3.16Å
486	S	86.7	Confident	89	Confident	60 Å²	60	42.9 Å²	42.9	42%	0.42	25%	0.251	S	S	.	.	H	α-helix	trans	-64.1	-52.7	-178.1	-155.7	0	0	0	0	110.9	N484 R488 I489 Q490	N484-S486 VanDerWaalsContact C-N 3.27Å; N484-S486 PolarHBondContact O-N 3.47Å; N484-S486 VanDerWaalsContact OD1-CB 3.22Å; N484-S486 WeakPolarHBondContact OD1-CB 3.48Å; N484-S486 PolarHBondContact OD1-N 3.2Å; S486-R488 VanDerWaalsContact C-N 3.27Å; S486-R488 PolarHBondContact O-N 2.72Å; S486-I489 WeakPolarHBondContact O-CG2 3.4Å; S486-I489 PolarHBondContact O-N 2.99Å; S486-Q490 WeakPolarHBondContact O-CB 3.32Å; S486-Q490 WeakPolarHBondContact O-CG 3.19Å; S486-Q490 PolarHBondContact O-N 2.98Å; S486-Q490 PolarHBondContact O-OE1 3.21Å
487	D	88.8	Confident	90.2	Very high	37 Å²	37	36.2 Å²	36.2	20%	0.198	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-43.8	177.7	-22.1	-35.4	0	0	0	110	M468 L482 D483 N484 Q490 V491	M468-D487 HydrophobicContact CE-CB 4.17Å; M468-D487 WeakPolarHBondContact CE-O 3.33Å; L482-D487 HydrophobicContact CB-CB 4.3Å; L482-D487 HydrophobicContact CD2-CB 3.94Å; D483-D487 PolarHBondContact N-OD2 3.24Å; N484-D487 PolarHBondContact N-OD2 3.1Å; N484-D487 PolarHBondContact ND2-OD1 3.12Å; N484-D487 PolarHBondContact ND2-OD2 2.82Å; N484-D487 PolarHBondContact O-N 2.87Å; D487-Q490 PolarHBondContact O-N 3.45Å; D487-V491 WeakPolarHBondContact O-CG2 3.25Å; D487-V491 PolarHBondContact O-N 3.23Å
488	R	94.2	Very high	91.2	Very high	41 Å²	41	31.9 Å²	31.9	16%	0.155	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-43.9	-179.3	-63.9	166.4	75.6	79.3	3.9	112.6	V366 F367 E371 L482 N484 Y485 S486 L492	V366-R488 PolarHBondContact O-NH1 2.79Å; V366-R488 PolarHBondContact O-NH2 2.89Å; F367-R488 HydrophobicContact CE1-CB 4.49Å; E371-R488 VanDerWaalsContact CD-NH2 3.32Å; E371-R488 IonicContact OE1-CZ 3.43Å; E371-R488 IonicContact OE1-NE 3.28Å; E371-R488 PolarHBondContact OE1-NE 3.03Å; E371-R488 IonicContact OE1-NH2 2.73Å; E371-R488 PolarHBondContact OE1-NH2 3.31Å; E371-R488 IonicContact OE2-CZ 3.55Å; E371-R488 IonicContact OE2-NE 3.64Å; E371-R488 IonicContact OE2-NH2 2.74Å; E371-R488 PolarHBondContact OE2-NH2 2.84Å; L482-R488 HydrophobicContact CB-CG 3.59Å; L482-R488 HydrophobicContact CD1-CG 4.18Å; N484-R488 WeakPolarHBondContact O-CD 3.3Å; N484-R488 WeakPolarHBondContact O-CG 3.07Å; N484-R488 PolarHBondContact O-N 3.28Å; Y485-R488 PolarHBondContact O-N 3.43Å; S486-R488 VanDerWaalsContact C-N 3.27Å; S486-R488 PolarHBondContact O-N 2.72Å; R488-L492 VanDerWaalsContact O-CG 3.29Å; R488-L492 WeakPolarHBondContact O-CG 3.49Å; R488-L492 PolarHBondContact O-N 3.33Å
489	I	95.6	Very high	92.1	Very high	11 Å²	11	29.8 Å²	29.8	6%	0.056	15%	0.153	C	C	.	.	H	α-helix	trans	-72.7	-35.3	178.3	-162.8	58.1	0	0	0	111.6	M445 D448 I449 Y485 S486 V491 L492 Q493	M445-I489 HydrophobicContact CB-CD1 3.97Å; M445-I489 HydrophobicContact CG-CD1 4.05Å; D448-I489 HydrophobicContact CB-CD1 4.08Å; D448-I489 HydrophobicContact CB-CG1 3.72Å; I449-I489 HydrophobicContact CD1-CD1 4.05Å; I449-I489 HydrophobicContact CG1-CD1 3.86Å; Y485-I489 HydrophobicContact CD1-CG2 4.29Å; Y485-I489 HydrophobicContact CE1-CB 4.12Å; Y485-I489 HydrophobicContact CE1-CG2 3.88Å; Y485-I489 WeakPolarHBondContact O-CG2 3.3Å; Y485-I489 PolarHBondContact O-N 3.16Å; S486-I489 WeakPolarHBondContact O-CG2 3.4Å; S486-I489 PolarHBondContact O-N 2.99Å; I489-V491 PolarHBondContact O-N 2.88Å; I489-L492 HydrophobicContact CD1-CB 4.43Å; I489-L492 HydrophobicContact CD1-CD1 4.49Å; I489-L492 PolarHBondContact O-N 3.25Å; I489-Q493 HydrophobicContact CG1-CG 4.31Å; I489-Q493 WeakPolarHBondContact O-CB 3.37Å; I489-Q493 VanDerWaalsContact O-CG 3.24Å; I489-Q493 WeakPolarHBondContact O-CG 3.49Å; I489-Q493 PolarHBondContact O-N 3.43Å; I489-Q493 PolarHBondContact O-OE1 2.86Å
490	Q	93.4	Very high	92.8	Very high	38 Å²	38	29.2 Å²	29.2	18%	0.178	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-39.9	174.7	-80.4	171	-40.2	0	0	112.6	D464 M468 S486 D487 N494	D464-Q490 VanDerWaalsContact CG-NE2 3.25Å; D464-Q490 PolarHBondContact OD2-NE2 3.21Å; M468-Q490 HydrophobicContact CE-CB 3.57Å; S486-Q490 WeakPolarHBondContact O-CB 3.32Å; S486-Q490 WeakPolarHBondContact O-CG 3.19Å; S486-Q490 PolarHBondContact O-N 2.98Å; S486-Q490 PolarHBondContact O-OE1 3.21Å; D487-Q490 PolarHBondContact O-N 3.45Å; Q490-N494 WeakPolarHBondContact O-CB 3.4Å; Q490-N494 PolarHBondContact O-N 3.25Å; Q490-N494 PolarHBondContact O-ND2 3.47Å
491	V	96.3	Very high	93.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-42.2	172.4	179.5	0	0	0	0	111.3	F367 M468 L482 D487 I489 N494 M495 W566 L569	F367-V491 HydrophobicContact CE2-CG1 4.46Å; F367-V491 HydrophobicContact CZ-CB 4.08Å; F367-V491 HydrophobicContact CZ-CG1 3.77Å; M468-V491 HydrophobicContact CE-CG2 3.96Å; M468-V491 HydrophobicContact SD-CG2 3.27Å; M468-V491 WeakPolarHBondContact SD-CG2 3.03Å; L482-V491 HydrophobicContact CD1-CB 4.13Å; L482-V491 HydrophobicContact CD1-CG2 3.69Å; L482-V491 HydrophobicContact CD2-CG2 4.17Å; D487-V491 WeakPolarHBondContact O-CG2 3.25Å; D487-V491 PolarHBondContact O-N 3.23Å; I489-V491 PolarHBondContact O-N 2.88Å; V491-N494 PolarHBondContact O-N 3.18Å; V491-M495 WeakPolarHBondContact O-CB 3.43Å; V491-M495 PolarHBondContact O-N 2.86Å; V491-W566 HydrophobicContact CG1-CH2 4Å; V491-W566 HydrophobicContact CG1-CZ3 4.03Å; V491-L569 HydrophobicContact CG1-CD2 4.46Å; V491-L569 HydrophobicContact CG2-CD2 4.13Å
492	L	98.3	Very high	94.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-68.9	-34	179.7	-65.6	168.9	0	0	0	113	L358 F367 E371 A375 I449 R488 I489 V496	L358-L492 HydrophobicContact CD2-CD2 4.08Å; F367-L492 HydrophobicContact CD1-CD1 3.99Å; F367-L492 HydrophobicContact CD1-CD2 3.83Å; F367-L492 HydrophobicContact CD1-CG 4.02Å; F367-L492 HydrophobicContact CD2-CD2 4.28Å; F367-L492 HydrophobicContact CE1-CD1 3.96Å; F367-L492 HydrophobicContact CE1-CD2 3.64Å; F367-L492 HydrophobicContact CE1-CG 3.59Å; F367-L492 HydrophobicContact CE2-CD2 4.1Å; F367-L492 HydrophobicContact CG-CD2 4.15Å; F367-L492 HydrophobicContact CZ-CD2 3.79Å; F367-L492 HydrophobicContact CZ-CG 4.05Å; E371-L492 HydrophobicContact CB-CD1 3.88Å; E371-L492 HydrophobicContact CG-CD1 4.15Å; A375-L492 HydrophobicContact CB-CD2 4.11Å; I449-L492 HydrophobicContact CD1-CB 3.94Å; I449-L492 HydrophobicContact CG1-CB 4.33Å; R488-L492 VanDerWaalsContact O-CG 3.29Å; R488-L492 WeakPolarHBondContact O-CG 3.49Å; R488-L492 PolarHBondContact O-N 3.33Å; I489-L492 HydrophobicContact CD1-CB 4.43Å; I489-L492 HydrophobicContact CD1-CD1 4.49Å; I489-L492 PolarHBondContact O-N 3.25Å; L492-V496 WeakPolarHBondContact O-CG2 3.28Å; L492-V496 PolarHBondContact O-N 2.89Å
493	Q	98.4	Very high	94.7	Very high	34 Å²	34	25.4 Å²	25.4	16%	0.159	13%	0.129	C	C	.	.	H	α-helix	trans	-63	-53.3	171.6	-75.3	171.3	-62.3	0	0	110.5	D448 I449 A452 L461 I489 M495 V496 H497	D448-Q493 PolarHBondContact O-NE2 2.74Å; I449-Q493 HydrophobicContact CG1-CG 4.18Å; A452-Q493 HydrophobicContact CB-CB 3.88Å; A452-Q493 HydrophobicContact CB-CG 3.94Å; L461-Q493 HydrophobicContact CD2-CB 4.26Å; I489-Q493 HydrophobicContact CG1-CG 4.31Å; I489-Q493 WeakPolarHBondContact O-CB 3.37Å; I489-Q493 VanDerWaalsContact O-CG 3.24Å; I489-Q493 WeakPolarHBondContact O-CG 3.49Å; I489-Q493 PolarHBondContact O-N 3.43Å; I489-Q493 PolarHBondContact O-OE1 2.86Å; Q493-M495 VanDerWaalsContact C-N 3.34Å; Q493-M495 PolarHBondContact O-N 3.43Å; Q493-V496 PolarHBondContact O-N 3.02Å; Q493-H497 WeakPolarHBondContact O-CB 3.27Å; Q493-H497 PolarHBondContact O-N 3.16Å
494	N	97.9	Very high	95.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.3	-37.2	177.4	-81.4	-77.7	0	0	0	112.5	L461 L465 Q490 V491 V496 H497 C498 W566	L461-N494 PolarHBondContact O-ND2 2.91Å; L461-N494 PolarHBondContact O-OD1 3.4Å; L465-N494 HydrophobicContact CD1-CB 3.91Å; L465-N494 HydrophobicContact CD2-CB 4.25Å; Q490-N494 WeakPolarHBondContact O-CB 3.4Å; Q490-N494 PolarHBondContact O-N 3.25Å; Q490-N494 PolarHBondContact O-ND2 3.47Å; V491-N494 PolarHBondContact O-N 3.18Å; N494-V496 PolarHBondContact O-N 3Å; N494-H497 PolarHBondContact O-N 3.37Å; N494-C498 WeakPolarHBondContact O-CB 3.32Å; N494-C498 PolarHBondContact O-N 3.23Å; N494-C498 PolarHBondContact O-SG 3.25Å; N494-W566 HydrophobicContact CB-CZ3 4.44Å
495	M	98.4	Very high	96.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.1	-45.7	177.5	-177.5	-176.4	-75.3	0	0	112.3	T354 L357 L358 L363 F367 V491 Q493 A499 W566	T354-M495 HydrophobicContact CG2-SD 4.35Å; L357-M495 HydrophobicContact CB-CE 4.15Å; L357-M495 HydrophobicContact CB-CG 3.62Å; L357-M495 HydrophobicContact CB-SD 3.91Å; L357-M495 HydrophobicContact CD1-CG 3.88Å; L357-M495 HydrophobicContact CG-CG 4.41Å; L357-M495 WeakPolarHBondContact O-CE 3.47Å; L358-M495 HydrophobicContact CB-SD 4.48Å; L358-M495 HydrophobicContact CD2-CE 3.99Å; L358-M495 HydrophobicContact CD2-SD 3.54Å; L358-M495 VanDerWaalsContact CD2-SD 3.54Å; L358-M495 HydrophobicContact CG-CE 4.38Å; L358-M495 HydrophobicContact CG-SD 3.57Å; L358-M495 VanDerWaalsContact CG-SD 3.57Å; L363-M495 HydrophobicContact CD1-CE 3.48Å; L363-M495 VanDerWaalsContact CD1-CE 3.48Å; F367-M495 HydrophobicContact CE2-CE 4.13Å; V491-M495 WeakPolarHBondContact O-CB 3.43Å; V491-M495 PolarHBondContact O-N 2.86Å; Q493-M495 VanDerWaalsContact C-N 3.34Å; Q493-M495 PolarHBondContact O-N 3.43Å; M495-A499 WeakPolarHBondContact O-CB 3.38Å; M495-A499 PolarHBondContact O-N 2.79Å; M495-W566 HydrophobicContact CB-CH2 3.65Å; M495-W566 HydrophobicContact CB-CZ2 4.48Å; M495-W566 HydrophobicContact CB-CZ3 3.93Å; M495-W566 HydrophobicContact CE-CH2 3.72Å; M495-W566 HydrophobicContact CE-CZ2 4.13Å; M495-W566 HydrophobicContact CG-CH2 3.93Å; M495-W566 HydrophobicContact CG-CZ2 4.34Å
496	V	98.8	Very high	96.8	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-72.6	-33.8	177.3	178.1	0	0	0	0	111	V350 T354 A375 I449 T453 L492 Q493 N494 A499 D500	V350-V496 HydrophobicContact CG1-CG1 4.4Å; T354-V496 HydrophobicContact CG2-CG2 3.97Å; A375-V496 HydrophobicContact CB-CG2 4.47Å; I449-V496 HydrophobicContact CG2-CB 3.77Å; I449-V496 HydrophobicContact CG2-CG1 3.98Å; I449-V496 HydrophobicContact CG2-CG2 3.68Å; T453-V496 HydrophobicContact CG2-CG1 4.14Å; L492-V496 WeakPolarHBondContact O-CG2 3.28Å; L492-V496 PolarHBondContact O-N 2.89Å; Q493-V496 PolarHBondContact O-N 3.02Å; N494-V496 PolarHBondContact O-N 3Å; V496-A499 WeakPolarHBondContact O-CB 3.36Å; V496-A499 PolarHBondContact O-N 2.68Å; V496-D500 WeakPolarHBondContact O-CB 3.17Å; V496-D500 PolarHBondContact O-N 3.07Å
497	H	98.6	Very high	97.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.1	-39.1	173.1	-159.8	72.4	0	0	0	112.8	A452 M455 H458 L461 Q493 N494 L501	A452-H497 PolarHBondContact O-ND1 2.95Å; M455-H497 VanDerWaalsContact SD-CE1 3.57Å; H458-H497 AromaticContact CG-NE2 3.89Å; H458-H497 AromaticContact ND1-CD2 3.96Å; H458-H497 AromaticContact ND1-NE2 3.48Å; H458-H497 PolarHBondContact ND1-NE2 2.93Å; L461-H497 HydrophobicContact CD1-CB 4.39Å; Q493-H497 WeakPolarHBondContact O-CB 3.27Å; Q493-H497 PolarHBondContact O-N 3.16Å; N494-H497 PolarHBondContact O-N 3.37Å; H497-L501 VanDerWaalsContact NE2-CD1 3.3Å; H497-L501 WeakPolarHBondContact NE2-CD1 3.27Å; H497-L501 WeakPolarHBondContact O-CB 3.37Å; H497-L501 WeakPolarHBondContact O-CG 3.29Å; H497-L501 PolarHBondContact O-N 3.41Å
498	C	98.7	Very high	97.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66.7	-40.3	170.2	-66.2	0	0	0	0	111.5	L357 N494 D500 L501 S502 W563	L357-C498 HydrophobicContact CD1-CB 4.31Å; N494-C498 WeakPolarHBondContact O-CB 3.32Å; N494-C498 PolarHBondContact O-N 3.23Å; N494-C498 PolarHBondContact O-SG 3.25Å; C498-D500 VanDerWaalsContact C-N 3.35Å; C498-D500 PolarHBondContact O-N 3.36Å; C498-L501 CarbonylContact O-C 3.52Å; C498-L501 PolarHBondContact O-N 2.94Å; C498-S502 WeakPolarHBondContact O-CA 3.48Å; C498-S502 WeakPolarHBondContact O-CB 3.27Å; C498-S502 PolarHBondContact O-N 3.11Å; C498-W563 HydrophobicContact CB-CH2 4.04Å; C498-W563 HydrophobicContact CB-CZ2 3.84Å; C498-W563 HydrophobicContact CB-CZ3 4.48Å; C498-W563 WeakPolarHBondContact O-CZ2 3.37Å
499	A	98.8	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.8	-34.2	178.5	0	0	0	0	0	113.2	V350 T354 L357 M495 V496 S502	V350-A499 HydrophobicContact CG1-CB 3.96Å; T354-A499 WeakPolarHBondContact OG1-CB 3.41Å; L357-A499 HydrophobicContact CD1-CB 4.4Å; M495-A499 WeakPolarHBondContact O-CB 3.38Å; M495-A499 PolarHBondContact O-N 2.79Å; V496-A499 WeakPolarHBondContact O-CB 3.36Å; V496-A499 PolarHBondContact O-N 2.68Å; A499-S502 WeakPolarHBondContact O-CB 3.29Å; A499-S502 PolarHBondContact O-OG 2.7Å
500	D	98.8	Very high	98.2	Very high	13 Å²	13	18.9 Å²	18.9	7%	0.07	10%	0.097	C	C	.	.	H	α-helix	trans	-66.6	-56.9	168.9	177.2	2.8	0	0	0	110.4	H346 V350 M455 V496 C498 S502	H346-D500 IonicContact CE1-OD1 2.66Å; H346-D500 IonicContact NE2-OD1 2.62Å; V350-D500 HydrophobicContact CG1-CB 4.48Å; V350-D500 HydrophobicContact CG2-CB 4.43Å; M455-D500 WeakPolarHBondContact CE-OD2 3.43Å; V496-D500 WeakPolarHBondContact O-CB 3.17Å; V496-D500 PolarHBondContact O-N 3.07Å; C498-D500 VanDerWaalsContact C-N 3.35Å; C498-D500 PolarHBondContact O-N 3.36Å; D500-S502 PolarHBondContact O-N 2.81Å
501	L	98.6	Very high	98.4	Very high	10 Å²	10	17.2 Å²	17.2	5%	0.052	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	31.7	175.7	-61	179.6	0	0	0	113.9	M455 H497 C498 F554 I558 L562 W563	M455-L501 HydrophobicContact CE-CD1 4.32Å; M455-L501 HydrophobicContact CE-CD2 3.73Å; M455-L501 HydrophobicContact CE-CG 3.94Å; M455-L501 HydrophobicContact SD-CD1 4.14Å; M455-L501 HydrophobicContact SD-CD2 3.99Å; M455-L501 HydrophobicContact SD-CG 4.33Å; H497-L501 VanDerWaalsContact NE2-CD1 3.3Å; H497-L501 WeakPolarHBondContact NE2-CD1 3.27Å; H497-L501 WeakPolarHBondContact O-CB 3.37Å; H497-L501 WeakPolarHBondContact O-CG 3.29Å; H497-L501 PolarHBondContact O-N 3.41Å; C498-L501 CarbonylContact O-C 3.52Å; C498-L501 PolarHBondContact O-N 2.94Å; L501-F554 HydrophobicContact CD2-CE2 4.36Å; L501-F554 HydrophobicContact CD2-CZ 3.82Å; L501-I558 HydrophobicContact CD1-CG2 4.12Å; L501-L562 HydrophobicContact CB-CD2 4.18Å; L501-L562 HydrophobicContact CD1-CD2 3.67Å; L501-W563 PolarHBondContact O-NE1 3Å
502	S	98.7	Very high	98.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-18.8	-175.3	67.1	0	0	0	0	114.2	C498 A499 D500 P504 T505 K506	C498-S502 WeakPolarHBondContact O-CA 3.48Å; C498-S502 WeakPolarHBondContact O-CB 3.27Å; C498-S502 PolarHBondContact O-N 3.11Å; A499-S502 WeakPolarHBondContact O-CB 3.29Å; A499-S502 PolarHBondContact O-OG 2.7Å; D500-S502 PolarHBondContact O-N 2.81Å; S502-P504 VanDerWaalsContact C-CD 3.49Å; S502-P504 VanDerWaalsContact C-N 3.35Å; S502-T505 PolarHBondContact O-N 2.74Å; S502-T505 PolarHBondContact O-OG1 3.18Å; S502-K506 PolarHBondContact O-N 3.09Å; S502-K506 VanDerWaalsContact OG-CE 3.3Å; S502-K506 WeakPolarHBondContact OG-CE 3.44Å; S502-K506 PolarHBondContact OG-NZ 3.07Å
503	N	98.7	Very high	98.5	Very high	15 Å²	15	26 Å²	26	8%	0.08	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-53.2	-43	-172.9	-51	-44.2	0	0	0	114.1	Y341 T505 K506 Y511 W514	Y341-N503 WeakPolarHBondContact CE2-ND2 3.28Å; Y341-N503 PolarHBondContact OH-ND2 3.38Å; N503-T505 PolarHBondContact O-N 3.48Å; N503-K506 WeakPolarHBondContact O-CB 3.43Å; N503-K506 PolarHBondContact O-N 2.75Å; N503-K506 VanDerWaalsContact O-N 3.15Å; N503-Y511 HydrophobicContact CB-CD2 4.17Å; N503-Y511 VanDerWaalsContact O-CB 3.28Å; N503-Y511 WeakPolarHBondContact O-CB 3.27Å; N503-Y511 WeakPolarHBondContact O-CD2 3.27Å; N503-W514 HydrophobicContact CB-CB 3.84Å; N503-W514 HydrophobicContact CB-CG 3.98Å; N503-W514 PolarHBondContact OD1-NE1 3.31Å
504	P	98.8	Very high	98.5	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-69.9	-11.6	179.6	-20.9	37.1	0	0	0	114.7	S502 Y511 F554 I555 V559 L581 N584	S502-P504 VanDerWaalsContact C-CD 3.49Å; S502-P504 VanDerWaalsContact C-N 3.35Å; P504-Y511 HydrophobicContact CB-CD1 4.36Å; P504-Y511 HydrophobicContact CB-CD2 4.4Å; P504-Y511 HydrophobicContact CB-CE1 3.79Å; P504-Y511 HydrophobicContact CB-CE2 3.88Å; P504-Y511 HydrophobicContact CG-CD2 4.36Å; P504-Y511 HydrophobicContact CG-CE1 4.46Å; P504-Y511 HydrophobicContact CG-CE2 3.68Å; P504-F554 HydrophobicContact CG-CD1 4.37Å; P504-F554 HydrophobicContact CG-CE1 4.07Å; P504-I555 HydrophobicContact CB-CD1 4.09Å; P504-I555 HydrophobicContact CB-CG1 3.94Å; P504-I555 HydrophobicContact CG-CG1 4.48Å; P504-V559 HydrophobicContact CB-CG1 4.2Å; P504-V559 HydrophobicContact CG-CG1 4.08Å; P504-V559 HydrophobicContact CG-CG2 4.25Å; P504-L581 HydrophobicContact CB-CD1 3.56Å; P504-L581 WeakPolarHBondContact O-CD1 3.4Å; P504-N584 PolarHBondContact O-ND2 3.19Å
505	T	98.7	Very high	98.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-102.8	2	175.2	81.5	0	0	0	0	112.7	W284 S502 N503 W563 I577 T580 L581	W284-T505 VanDerWaalsContact CZ2-OG1 3.32Å; W284-T505 WeakPolarHBondContact CZ2-OG1 3.26Å; W284-T505 PolarHBondContact NE1-O 3.3Å; W284-T505 PolarHBondContact NE1-OG1 3Å; S502-T505 PolarHBondContact O-N 2.74Å; S502-T505 PolarHBondContact O-OG1 3.18Å; N503-T505 PolarHBondContact O-N 3.48Å; T505-W563 HydrophobicContact CG2-CD2 3.98Å; T505-W563 HydrophobicContact CG2-CG 3.91Å; T505-W563 HydrophobicContact CG2-CZ2 4.38Å; T505-I577 HydrophobicContact CG2-CG2 3.87Å; T505-I577 VanDerWaalsContact OG1-CG2 3.27Å; T505-I577 WeakPolarHBondContact OG1-CG2 3.21Å; T505-T580 WeakPolarHBondContact O-CG2 3.28Å; T505-L581 HydrophobicContact CG2-CB 4.07Å; T505-L581 HydrophobicContact CG2-CD1 4.08Å; T505-L581 HydrophobicContact CG2-CD2 4.12Å; T505-L581 HydrophobicContact CG2-CG 4.32Å
506	K	98.5	Very high	98.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-80.8	153.5	169.4	-55.2	-65.2	164.2	66.8	0	109.5	W284 D349 S353 S502 N503 L508 L510 N584	W284-K506 HydrophobicContact CZ2-CD 4.38Å; D349-K506 IonicContact OD1-NZ 3.41Å; D349-K506 PolarHBondContact OD1-NZ 3.03Å; D349-K506 IonicContact OD2-NZ 2.77Å; D349-K506 PolarHBondContact OD2-NZ 3.14Å; S353-K506 WeakPolarHBondContact OG-CE 3.47Å; S353-K506 PolarHBondContact OG-NZ 3.15Å; S502-K506 PolarHBondContact O-N 3.09Å; S502-K506 VanDerWaalsContact OG-CE 3.3Å; S502-K506 WeakPolarHBondContact OG-CE 3.44Å; S502-K506 PolarHBondContact OG-NZ 3.07Å; N503-K506 WeakPolarHBondContact O-CB 3.43Å; N503-K506 PolarHBondContact O-N 2.75Å; N503-K506 VanDerWaalsContact O-N 3.15Å; K506-L508 PolarHBondContact O-N 2.83Å; K506-L510 HydrophobicContact CB-CB 4.08Å; K506-L510 HydrophobicContact CB-CD1 4.47Å; K506-N584 PolarHBondContact O-ND2 3.38Å
507	P	98.4	Very high	98.5	Very high	63 Å²	63	32.6 Å²	32.6	41%	0.409	16%	0.156	S	C	.	.			trans	-50.1	136.5	174	-28.6	35.1	0	0	0	112.4	Q509 L510 Y511	P507-Q509 PolarHBondContact O-N 3.27Å; P507-L510 WeakPolarHBondContact O-CB 3.28Å; P507-L510 PolarHBondContact O-N 3.46Å; P507-Y511 PolarHBondContact O-N 2.73Å
508	L	98.2	Very high	98.5	Very high	49 Å²	49	33.8 Å²	33.8	26%	0.257	16%	0.162	S	C	.	.	H	α-helix	trans	-43.6	-35.9	-168.7	-176.4	62.6	0	0	0	116	K506 L510 Y511 R512 N584 W587	K506-L508 PolarHBondContact O-N 2.83Å; L508-L510 VanDerWaalsContact C-N 3.31Å; L508-L510 PolarHBondContact O-N 2.84Å; L508-Y511 PolarHBondContact O-N 3.28Å; L508-R512 HydrophobicContact CD1-CG 3.89Å; L508-R512 HydrophobicContact CG-CG 4.3Å; L508-R512 WeakPolarHBondContact O-CB 3.36Å; L508-R512 WeakPolarHBondContact O-CG 3.49Å; L508-R512 PolarHBondContact O-N 2.74Å; L508-N584 WeakPolarHBondContact CA-OD1 3.24Å; L508-N584 VanDerWaalsContact CB-OD1 3.28Å; L508-N584 WeakPolarHBondContact CB-OD1 3.46Å; L508-N584 WeakPolarHBondContact CD1-OD1 3.46Å; L508-W587 HydrophobicContact CD1-CB 4.4Å; L508-W587 HydrophobicContact CD1-CD2 3.8Å; L508-W587 HydrophobicContact CD1-CE3 3.68Å; L508-W587 HydrophobicContact CD1-CG 4.1Å; L508-W587 HydrophobicContact CD1-CZ3 4.32Å; L508-W587 HydrophobicContact CD2-CB 4.4Å; L508-W587 HydrophobicContact CD2-CD2 3.77Å; L508-W587 HydrophobicContact CD2-CE3 4.46Å; L508-W587 HydrophobicContact CD2-CG 3.68Å; L508-W587 HydrophobicContact CG-CD2 4.39Å
509	Q	98	Very high	98.4	Very high	163 Å²	163	34.1 Å²	34.1	76%	0.762	16%	0.164	S	C	*	.	H	α-helix	trans	-66.4	-29	178.8	-61.5	-177.1	14.9	0	0	113.6	P507 Q513	P507-Q509 PolarHBondContact O-N 3.27Å; Q509-Q513 PolarHBondContact O-NE2 3.46Å
510	L	98.3	Very high	98.4	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.047	19%	0.19	C	C	.	.	H	α-helix	trans	-83.2	-47.3	172.5	-60.8	-179.9	0	0	0	110.5	G285 L286 N287 F289 K506 P507 L508 R512 Q513 W514	G285-L510 WeakPolarHBondContact O-CD1 3.4Å; L286-L510 WeakPolarHBondContact O-CD1 3.43Å; N287-L510 HydrophobicContact CB-CD2 4.28Å; F289-L510 HydrophobicContact CD2-CD2 3.85Å; F289-L510 HydrophobicContact CE2-CD2 4.07Å; K506-L510 HydrophobicContact CB-CB 4.08Å; K506-L510 HydrophobicContact CB-CD1 4.47Å; P507-L510 WeakPolarHBondContact O-CB 3.28Å; P507-L510 PolarHBondContact O-N 3.46Å; L508-L510 VanDerWaalsContact C-N 3.31Å; L508-L510 PolarHBondContact O-N 2.84Å; L510-R512 VanDerWaalsContact C-N 3.32Å; L510-R512 PolarHBondContact O-N 2.95Å; L510-Q513 PolarHBondContact O-N 3.03Å; L510-W514 PolarHBondContact O-N 3.21Å
511	Y	98.6	Very high	98.4	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-54.4	-48.1	179.9	179.5	-158.9	0	0	0	111.5	N503 P504 P507 L508 Q513 W514 T515 Q551 I555 N584 Y588	N503-Y511 HydrophobicContact CB-CD2 4.17Å; N503-Y511 VanDerWaalsContact O-CB 3.28Å; N503-Y511 WeakPolarHBondContact O-CB 3.27Å; N503-Y511 WeakPolarHBondContact O-CD2 3.27Å; P504-Y511 HydrophobicContact CB-CD1 4.36Å; P504-Y511 HydrophobicContact CB-CD2 4.4Å; P504-Y511 HydrophobicContact CB-CE1 3.79Å; P504-Y511 HydrophobicContact CB-CE2 3.88Å; P504-Y511 HydrophobicContact CG-CD2 4.36Å; P504-Y511 HydrophobicContact CG-CE1 4.46Å; P504-Y511 HydrophobicContact CG-CE2 3.68Å; P507-Y511 PolarHBondContact O-N 2.73Å; L508-Y511 PolarHBondContact O-N 3.28Å; Y511-Q513 VanDerWaalsContact C-N 3.31Å; Y511-Q513 PolarHBondContact O-N 2.91Å; Y511-W514 CarbonylContact O-C 3.6Å; Y511-W514 WeakPolarHBondContact O-CA 3.47Å; Y511-W514 WeakPolarHBondContact O-CB 3.47Å; Y511-W514 PolarHBondContact O-N 3.23Å; Y511-T515 VanDerWaalsContact CE2-OG1 3.31Å; Y511-T515 WeakPolarHBondContact CE2-OG1 3.27Å; Y511-T515 PolarHBondContact O-N 2.94Å; Y511-T515 PolarHBondContact O-OG1 2.66Å; Y511-Q551 PolarHBondContact OH-OE1 3.11Å; Y511-I555 HydrophobicContact CE1-CD1 4.16Å; Y511-N584 HydrophobicContact CD1-CB 3.83Å; Y511-N584 HydrophobicContact CE1-CB 4.01Å; Y511-Y588 HydrophobicContact CD1-CD2 4.32Å; Y511-Y588 AromaticContact CD1-CE2 3.77Å; Y511-Y588 HydrophobicContact CD1-CE2 3.77Å; Y511-Y588 AromaticContact CE1-CD2 3.63Å; Y511-Y588 HydrophobicContact CE1-CD2 3.63Å; Y511-Y588 AromaticContact CE1-CE2 3.35Å; Y511-Y588 HydrophobicContact CE1-CE2 3.35Å; Y511-Y588 HydrophobicContact CE2-CE2 4.42Å; Y511-Y588 HydrophobicContact CG-CE2 4.48Å; Y511-Y588 AromaticContact CZ-CE2 3.71Å
512	R	98.3	Very high	98.3	Very high	111 Å²	111	42.4 Å²	42.4	42%	0.419	20%	0.201	S	C	.	.	H	α-helix	trans	-58.6	-38.6	177.6	-73.1	-179.2	59.4	-175	-6	113.8	L508 L510 W514 T515 D516 W587	L508-R512 HydrophobicContact CD1-CG 3.89Å; L508-R512 HydrophobicContact CG-CG 4.3Å; L508-R512 WeakPolarHBondContact O-CB 3.36Å; L508-R512 WeakPolarHBondContact O-CG 3.49Å; L508-R512 PolarHBondContact O-N 2.74Å; L510-R512 VanDerWaalsContact C-N 3.32Å; L510-R512 PolarHBondContact O-N 2.95Å; R512-W514 VanDerWaalsContact C-N 3.31Å; R512-W514 PolarHBondContact O-N 2.94Å; R512-T515 PolarHBondContact O-N 3.04Å; R512-D516 VanDerWaalsContact O-CG 3.25Å; R512-D516 PolarHBondContact O-N 3.35Å; R512-W587 HydrophobicContact CG-CH2 4.38Å; R512-W587 HydrophobicContact CG-CZ3 4.12Å
513	Q	98.4	Very high	98.2	Very high	76 Å²	76	44.5 Å²	44.5	36%	0.355	21%	0.21	S	C	.	.	H	α-helix	trans	-67.8	-31.7	175.1	-74	175.3	90.2	0	0	112.1	F289 Q509 L510 Y511 R517	F289-Q513 HydrophobicContact CD2-CB 4.26Å; F289-Q513 HydrophobicContact CE2-CB 3.55Å; F289-Q513 HydrophobicContact CE2-CG 4.35Å; F289-Q513 HydrophobicContact CZ-CB 3.75Å; Q509-Q513 PolarHBondContact O-NE2 3.46Å; L510-Q513 PolarHBondContact O-N 3.03Å; Y511-Q513 VanDerWaalsContact C-N 3.31Å; Y511-Q513 PolarHBondContact O-N 2.91Å; Q513-R517 WeakPolarHBondContact O-CB 3.21Å; Q513-R517 WeakPolarHBondContact O-CD 3.39Å; Q513-R517 WeakPolarHBondContact O-CG 3.41Å; Q513-R517 PolarHBondContact O-N 2.84Å
514	W	98.7	Very high	98.2	Very high	4 Å²	4	46 Å²	46	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-70.3	-42.1	170.4	-72	134.1	0	0	0	112.3	F289 Y341 I345 H346 D349 N503 L510 Y511 R512 R517 I518	F289-W514 HydrophobicContact CE1-CD2 4.38Å; F289-W514 HydrophobicContact CE1-CE3 4.26Å; F289-W514 AromaticContact CE1-CH2 3.74Å; F289-W514 HydrophobicContact CE1-CH2 3.74Å; F289-W514 AromaticContact CE1-CZ2 3.91Å; F289-W514 HydrophobicContact CE1-CZ2 3.91Å; F289-W514 AromaticContact CE1-CZ3 3.94Å; F289-W514 HydrophobicContact CE1-CZ3 3.94Å; F289-W514 HydrophobicContact CE2-CZ2 4.45Å; F289-W514 AromaticContact CZ-CD2 3.65Å; F289-W514 HydrophobicContact CZ-CD2 3.65Å; F289-W514 AromaticContact CZ-CE2 3.52Å; F289-W514 AromaticContact CZ-CE3 3.93Å; F289-W514 HydrophobicContact CZ-CE3 3.93Å; F289-W514 HydrophobicContact CZ-CG 4.23Å; F289-W514 AromaticContact CZ-CH2 3.89Å; F289-W514 HydrophobicContact CZ-CH2 3.89Å; F289-W514 AromaticContact CZ-CZ2 3.65Å; F289-W514 HydrophobicContact CZ-CZ2 3.65Å; F289-W514 HydrophobicContact CZ-CZ3 4.05Å; Y341-W514 AromaticContact CD2-CE3 3.75Å; Y341-W514 HydrophobicContact CD2-CE3 3.75Å; Y341-W514 HydrophobicContact CD2-CZ3 4.34Å; Y341-W514 HydrophobicContact CE2-CB 4.42Å; Y341-W514 HydrophobicContact CE2-CD2 4.35Å; Y341-W514 AromaticContact CE2-CE3 3.82Å; Y341-W514 HydrophobicContact CE2-CE3 3.82Å; I345-W514 HydrophobicContact CB-CH2 4.01Å; I345-W514 HydrophobicContact CG2-CH2 3.77Å; I345-W514 HydrophobicContact CG2-CZ2 4.33Å; H346-W514 HydrophobicContact CB-CH2 3.96Å; H346-W514 HydrophobicContact CB-CZ3 3.96Å; D349-W514 HydrophobicContact CB-CZ2 3.82Å; D349-W514 PolarHBondContact OD2-NE1 2.89Å; N503-W514 HydrophobicContact CB-CB 3.84Å; N503-W514 HydrophobicContact CB-CG 3.98Å; N503-W514 PolarHBondContact OD1-NE1 3.31Å; L510-W514 PolarHBondContact O-N 3.21Å; Y511-W514 CarbonylContact O-C 3.6Å; Y511-W514 WeakPolarHBondContact O-CA 3.47Å; Y511-W514 WeakPolarHBondContact O-CB 3.47Å; Y511-W514 PolarHBondContact O-N 3.23Å; R512-W514 VanDerWaalsContact C-N 3.31Å; R512-W514 PolarHBondContact O-N 2.94Å; W514-R517 PolarHBondContact O-N 3.2Å; W514-I518 WeakPolarHBondContact O-CG2 3.39Å; W514-I518 PolarHBondContact O-N 3.18Å
515	T	98.4	Very high	98.1	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-47.5	174.2	-54.9	0	0	0	0	111.8	Y511 R512 R517 I518 M519 V547 Q551 Y588	Y511-T515 VanDerWaalsContact CE2-OG1 3.31Å; Y511-T515 WeakPolarHBondContact CE2-OG1 3.27Å; Y511-T515 PolarHBondContact O-N 2.94Å; Y511-T515 PolarHBondContact O-OG1 2.66Å; R512-T515 PolarHBondContact O-N 3.04Å; T515-R517 VanDerWaalsContact C-N 3.26Å; T515-R517 PolarHBondContact O-N 3.39Å; T515-I518 WeakPolarHBondContact O-CG2 3.47Å; T515-I518 PolarHBondContact O-N 3.45Å; T515-M519 HydrophobicContact CG2-CG 4.33Å; T515-M519 WeakPolarHBondContact O-CB 3.43Å; T515-M519 WeakPolarHBondContact O-CG 3.48Å; T515-M519 PolarHBondContact O-N 2.9Å; T515-M519 VanDerWaalsContact O-N 3.08Å; T515-V547 HydrophobicContact CG2-CG1 3.5Å; T515-V547 VanDerWaalsContact CG2-CG1 3.5Å; T515-Q551 HydrophobicContact CG2-CG 3.71Å; T515-Q551 VanDerWaalsContact CG2-OE1 3.32Å; T515-Q551 PolarHBondContact OG1-OE1 3.27Å; T515-Y588 VanDerWaalsContact CB-OH 3.26Å; T515-Y588 WeakPolarHBondContact CB-OH 3.38Å; T515-Y588 WeakPolarHBondContact CG2-OH 3.43Å; T515-Y588 PolarHBondContact OG1-OH 2.82Å
516	D	98	Very high	98.1	Very high	103 Å²	103	46.5 Å²	46.5	55%	0.551	22%	0.224	S	C	*	.	H	α-helix	trans	-57.8	-41.1	177.9	-70.5	-26.4	0	0	0	111.1	R512 E520	R512-D516 VanDerWaalsContact O-CG 3.25Å; R512-D516 PolarHBondContact O-N 3.35Å; D516-E520 WeakPolarHBondContact O-CB 3.22Å; D516-E520 PolarHBondContact O-N 3.22Å
517	R	98.5	Very high	98	Very high	65 Å²	65	49.1 Å²	49.1	25%	0.245	24%	0.238	C	C	.	.	H	α-helix	trans	-69.9	-47.1	179.7	-76.3	171.7	176.3	-79	-0.7	114.1	A340 Y341 Q513 W514 T515 M519 E520 E521	A340-R517 WeakPolarHBondContact O-CB 3.45Å; A340-R517 WeakPolarHBondContact O-CD 3.29Å; A340-R517 WeakPolarHBondContact O-CG 3.31Å; A340-R517 PolarHBondContact O-NH1 2.82Å; Y341-R517 HydrophobicContact CD2-CB 4.36Å; Q513-R517 WeakPolarHBondContact O-CB 3.21Å; Q513-R517 WeakPolarHBondContact O-CD 3.39Å; Q513-R517 WeakPolarHBondContact O-CG 3.41Å; Q513-R517 PolarHBondContact O-N 2.84Å; W514-R517 PolarHBondContact O-N 3.2Å; T515-R517 VanDerWaalsContact C-N 3.26Å; T515-R517 PolarHBondContact O-N 3.39Å; R517-M519 VanDerWaalsContact C-N 3.27Å; R517-M519 PolarHBondContact O-N 3Å; R517-E520 PolarHBondContact O-N 3.12Å; R517-E521 PolarHBondContact O-N 3.3Å
518	I	98.1	Very high	97.9	Very high	25 Å²	25	49.7 Å²	49.7	13%	0.128	23%	0.232	C	C	.	.	H	α-helix	trans	-67.1	-34.1	-180	-169.9	61.9	0	0	0	110.7	Y341 W514 T515 E521 F522	Y341-I518 HydrophobicContact CD1-CD1 3.79Å; Y341-I518 HydrophobicContact CD2-CB 3.8Å; Y341-I518 HydrophobicContact CD2-CD1 4.33Å; Y341-I518 HydrophobicContact CE1-CD1 4.33Å; Y341-I518 HydrophobicContact CE2-CB 4.37Å; Y341-I518 HydrophobicContact CG-CB 4.03Å; Y341-I518 HydrophobicContact CG-CD1 3.8Å; Y341-I518 HydrophobicContact CG-CG1 4.46Å; W514-I518 WeakPolarHBondContact O-CG2 3.39Å; W514-I518 PolarHBondContact O-N 3.18Å; T515-I518 WeakPolarHBondContact O-CG2 3.47Å; T515-I518 PolarHBondContact O-N 3.45Å; I518-E521 PolarHBondContact O-N 3.11Å; I518-F522 HydrophobicContact CD1-CD1 4.1Å; I518-F522 HydrophobicContact CD1-CE1 3.54Å; I518-F522 HydrophobicContact CD1-CZ 3.86Å; I518-F522 HydrophobicContact CG1-CD1 4.26Å; I518-F522 HydrophobicContact CG1-CD2 4.43Å; I518-F522 HydrophobicContact CG1-CE1 3.76Å; I518-F522 HydrophobicContact CG1-CE2 3.95Å; I518-F522 HydrophobicContact CG1-CZ 3.59Å; I518-F522 WeakPolarHBondContact O-CB 3.1Å; I518-F522 VanDerWaalsContact O-CG 3.3Å; I518-F522 WeakPolarHBondContact O-CG 3.48Å; I518-F522 PolarHBondContact O-N 3.13Å
519	M	97.5	Very high	97.9	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.034	22%	0.22	C	C	.	.	H	α-helix	trans	-68.4	-42.1	173.2	-65.5	-67.2	160.5	0	0	111.8	T515 R517 E521 F522 F523 M539 V547	T515-M519 HydrophobicContact CG2-CG 4.33Å; T515-M519 WeakPolarHBondContact O-CB 3.43Å; T515-M519 WeakPolarHBondContact O-CG 3.48Å; T515-M519 PolarHBondContact O-N 2.9Å; T515-M519 VanDerWaalsContact O-N 3.08Å; R517-M519 VanDerWaalsContact C-N 3.27Å; R517-M519 PolarHBondContact O-N 3Å; M519-E521 PolarHBondContact O-N 3.09Å; M519-F522 PolarHBondContact O-N 2.75Å; M519-F522 HydrophobicContact SD-CD2 4.34Å; M519-F523 HydrophobicContact CB-CE2 3.95Å; M519-F523 HydrophobicContact CB-CZ 4.01Å; M519-F523 WeakPolarHBondContact O-CB 3.31Å; M519-F523 WeakPolarHBondContact O-CD1 3.36Å; M519-F523 WeakPolarHBondContact O-CD2 3.45Å; M519-F523 WeakPolarHBondContact O-CG 3.23Å; M519-F523 PolarHBondContact O-N 3.48Å; M519-F523 HydrophobicContact SD-CZ 4.38Å; M519-M539 HydrophobicContact CE-CE 4Å; M519-M539 HydrophobicContact SD-CE 4.04Å; M519-V547 HydrophobicContact CE-CG1 4.25Å; M519-V547 HydrophobicContact CG-CG1 4.1Å; M519-V547 HydrophobicContact CG-CG2 4.04Å; M519-V547 HydrophobicContact SD-CG2 4.07Å
520	E	97.9	Very high	97.8	Very high	116 Å²	116	44.2 Å²	44.2	54%	0.542	20%	0.201	S	C	.	.	H	α-helix	trans	-57.2	-38.5	171.6	-179.1	171.7	-145.2	0	0	112.1	A340 D516 R517 S524	A340-E520 HydrophobicContact CB-CB 3.98Å; A340-E520 HydrophobicContact CB-CG 3.87Å; D516-E520 WeakPolarHBondContact O-CB 3.22Å; D516-E520 PolarHBondContact O-N 3.22Å; R517-E520 PolarHBondContact O-N 3.12Å; E520-S524 WeakPolarHBondContact O-CB 3.46Å; E520-S524 PolarHBondContact O-N 3.11Å; E520-S524 PolarHBondContact O-OG 3.48Å
521	E	98.3	Very high	97.7	Very high	9 Å²	9	51.5 Å²	51.5	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-72.4	-44.6	177.5	-155.9	176.1	128.5	0	0	113	V339 A340 Y341 H342 H386 G388 R517 I518 M519 F523 S524 Q525	V339-E521 HydrophobicContact CG1-CG 4.41Å; V339-E521 WeakPolarHBondContact CG1-OE2 3.47Å; A340-E521 HydrophobicContact CB-CB 4.26Å; Y341-E521 WeakPolarHBondContact CA-OE2 3.45Å; Y341-E521 WeakPolarHBondContact CB-OE2 3.44Å; Y341-E521 PolarHBondContact N-OE2 3.48Å; H342-E521 IonicContact CE1-OE1 3.73Å; H342-E521 IonicContact CG-OE1 2.67Å; H342-E521 PolarHBondContact N-OE2 2.98Å; H342-E521 VanDerWaalsContact ND1-CD 3.34Å; H342-E521 IonicContact ND1-OE1 2.75Å; H342-E521 PolarHBondContact ND1-OE1 2.79Å; H342-E521 IonicContact ND1-OE2 2.79Å; H342-E521 PolarHBondContact ND1-OE2 3.25Å; H386-E521 IonicContact CE1-OE1 2.85Å; H386-E521 PolarHBondContact CE1-OE1 2.98Å; H386-E521 IonicContact ND1-OE1 2.74Å; G388-E521 VanDerWaalsContact CA-OE1 3.24Å; G388-E521 WeakPolarHBondContact CA-OE1 3.19Å; R517-E521 PolarHBondContact O-N 3.3Å; I518-E521 PolarHBondContact O-N 3.11Å; M519-E521 PolarHBondContact O-N 3.09Å; E521-F523 VanDerWaalsContact C-N 3.33Å; E521-F523 PolarHBondContact O-N 2.74Å; E521-S524 CarbonylContact O-C 3.59Å; E521-S524 WeakPolarHBondContact O-CA 3.39Å; E521-S524 VanDerWaalsContact O-CB 3.32Å; E521-S524 WeakPolarHBondContact O-CB 3.42Å; E521-S524 PolarHBondContact O-N 2.96Å; E521-Q525 PolarHBondContact O-N 3.06Å
522	F	97.6	Very high	97.6	Very high	71 Å²	71	57.7 Å²	57.7	31%	0.311	26%	0.258	S	S	.	.	H	α-helix	trans	-59.7	-42.6	173.5	-71.3	-7	0	0	0	111.6	I518 M519 S524 Q525 G526 M539 C540	I518-F522 HydrophobicContact CD1-CD1 4.1Å; I518-F522 HydrophobicContact CD1-CE1 3.54Å; I518-F522 HydrophobicContact CD1-CZ 3.86Å; I518-F522 HydrophobicContact CG1-CD1 4.26Å; I518-F522 HydrophobicContact CG1-CD2 4.43Å; I518-F522 HydrophobicContact CG1-CE1 3.76Å; I518-F522 HydrophobicContact CG1-CE2 3.95Å; I518-F522 HydrophobicContact CG1-CZ 3.59Å; I518-F522 WeakPolarHBondContact O-CB 3.1Å; I518-F522 VanDerWaalsContact O-CG 3.3Å; I518-F522 WeakPolarHBondContact O-CG 3.48Å; I518-F522 PolarHBondContact O-N 3.13Å; M519-F522 PolarHBondContact O-N 2.75Å; M519-F522 HydrophobicContact SD-CD2 4.34Å; F522-S524 VanDerWaalsContact C-N 3.27Å; F522-S524 PolarHBondContact O-N 2.86Å; F522-Q525 PolarHBondContact O-N 3.19Å; F522-Q525 VanDerWaalsContact O-N 3.16Å; F522-G526 PolarHBondContact O-N 3.19Å; F522-M539 HydrophobicContact CD2-CB 4.15Å; F522-C540 WeakPolarHBondContact O-CA 3.27Å; F522-C540 VanDerWaalsContact O-CB 3.27Å; F522-C540 WeakPolarHBondContact O-CB 2.93Å
523	F	97.4	Very high	97.4	Very high	45 Å²	45	55.8 Å²	55.8	20%	0.197	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-30.7	175	-57.7	-22	0	0	0	112.3	M519 E521 G526 D527 M539 C540 K542 A545	M519-F523 HydrophobicContact CB-CE2 3.95Å; M519-F523 HydrophobicContact CB-CZ 4.01Å; M519-F523 WeakPolarHBondContact O-CB 3.31Å; M519-F523 WeakPolarHBondContact O-CD1 3.36Å; M519-F523 WeakPolarHBondContact O-CD2 3.45Å; M519-F523 WeakPolarHBondContact O-CG 3.23Å; M519-F523 PolarHBondContact O-N 3.48Å; M519-F523 HydrophobicContact SD-CZ 4.38Å; E521-F523 VanDerWaalsContact C-N 3.33Å; E521-F523 PolarHBondContact O-N 2.74Å; F523-G526 PolarHBondContact O-N 2.9Å; F523-D527 WeakPolarHBondContact O-CB 3.45Å; F523-D527 PolarHBondContact O-N 3.29Å; F523-M539 WeakPolarHBondContact CE1-O 3.31Å; F523-C540 WeakPolarHBondContact CA-O 3.49Å; F523-K542 HydrophobicContact CB-CB 4.19Å; F523-K542 HydrophobicContact CB-CD 4.42Å; F523-K542 HydrophobicContact CD1-CB 3.75Å; F523-K542 HydrophobicContact CD2-CB 3.7Å; F523-K542 HydrophobicContact CE1-CB 4.03Å; F523-K542 HydrophobicContact CE2-CB 3.97Å; F523-K542 HydrophobicContact CG-CB 3.6Å; F523-K542 HydrophobicContact CZ-CB 4.13Å; F523-A545 HydrophobicContact CE1-CB 3.79Å; F523-A545 HydrophobicContact CZ-CB 4.15Å
524	S	97.4	Very high	97.3	Very high	47 Å²	47	54.6 Å²	54.6	33%	0.329	27%	0.268	S	S	.	.	H	α-helix	trans	-70	-36.1	171.5	-62.1	0	0	0	0	112.3	E520 E521 F522 R528	E520-S524 WeakPolarHBondContact O-CB 3.46Å; E520-S524 PolarHBondContact O-N 3.11Å; E520-S524 PolarHBondContact O-OG 3.48Å; E521-S524 CarbonylContact O-C 3.59Å; E521-S524 WeakPolarHBondContact O-CA 3.39Å; E521-S524 VanDerWaalsContact O-CB 3.32Å; E521-S524 WeakPolarHBondContact O-CB 3.42Å; E521-S524 PolarHBondContact O-N 2.96Å; F522-S524 VanDerWaalsContact C-N 3.27Å; F522-S524 PolarHBondContact O-N 2.86Å; S524-R528 WeakPolarHBondContact O-CB 3.47Å; S524-R528 WeakPolarHBondContact O-CD 3.39Å; S524-R528 WeakPolarHBondContact O-CG 3.39Å; S524-R528 PolarHBondContact O-N 2.82Å; S524-R528 VanDerWaalsContact O-N 3.15Å
525	Q	97.7	Very high	97	Very high	11 Å²	11	63 Å²	63	5%	0.051	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-46.9	168.3	-176.4	178	-63.1	0	0	110.7	V389 S390 F393 E521 F522 D527 R528 E529 S537	V389-Q525 HydrophobicContact CB-CG 4.46Å; V389-Q525 HydrophobicContact CG1-CB 4Å; V389-Q525 HydrophobicContact CG1-CG 3.82Å; S390-Q525 PolarHBondContact OG-NE2 3.16Å; S390-Q525 PolarHBondContact OG-OE1 2.9Å; F393-Q525 HydrophobicContact CB-CG 4.42Å; F393-Q525 HydrophobicContact CD2-CG 3.82Å; F393-Q525 HydrophobicContact CE2-CG 4.38Å; F393-Q525 HydrophobicContact CG-CG 4.25Å; E521-Q525 PolarHBondContact O-N 3.06Å; F522-Q525 PolarHBondContact O-N 3.19Å; F522-Q525 VanDerWaalsContact O-N 3.16Å; Q525-D527 PolarHBondContact O-N 2.85Å; Q525-R528 CarbonylContact O-C 3.59Å; Q525-R528 WeakPolarHBondContact O-CA 3.42Å; Q525-R528 WeakPolarHBondContact O-CB 3.42Å; Q525-R528 PolarHBondContact O-N 2.61Å; Q525-E529 HydrophobicContact CG-CG 4.22Å; Q525-E529 PolarHBondContact NE2-OE1 3.35Å; Q525-E529 WeakPolarHBondContact O-CG 3.13Å; Q525-E529 PolarHBondContact O-N 3.4Å; Q525-S537 PolarHBondContact NE2-OG 3.04Å
526	G	97.3	Very high	96.8	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-35.5	-178.2	0	0	0	0	0	114	F522 F523 E529 R530 C540	F522-G526 PolarHBondContact O-N 3.19Å; F523-G526 PolarHBondContact O-N 2.9Å; G526-E529 PolarHBondContact O-N 2.72Å; G526-R530 WeakPolarHBondContact O-CB 3.39Å; G526-R530 PolarHBondContact O-N 2.92Å; G526-C540 WeakPolarHBondContact CA-O 3.34Å
527	D	96.8	Very high	96.4	Very high	55 Å²	55	61.7 Å²	61.7	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-64.6	-44	169.4	-78.3	2.4	0	0	0	111.1	F523 Q525 E529 R530 E531 K542	F523-D527 WeakPolarHBondContact O-CB 3.45Å; F523-D527 PolarHBondContact O-N 3.29Å; Q525-D527 PolarHBondContact O-N 2.85Å; D527-E529 VanDerWaalsContact C-N 3.33Å; D527-E529 PolarHBondContact O-N 2.86Å; D527-R530 PolarHBondContact O-N 3.5Å; D527-R530 IonicContact OD1-CZ 3.56Å; D527-R530 IonicContact OD1-NH1 3.41Å; D527-R530 PolarHBondContact OD1-NH1 3.35Å; D527-E531 WeakPolarHBondContact O-CG 3.48Å; D527-E531 PolarHBondContact O-N 3.03Å; D527-K542 IonicContact OD1-NZ 2.8Å; D527-K542 PolarHBondContact OD1-NZ 3.42Å; D527-K542 IonicContact OD2-NZ 2.81Å; D527-K542 PolarHBondContact OD2-NZ 3.42Å
528	R	96.6	Very high	95.9	Very high	74 Å²	74	64.4 Å²	64.4	28%	0.279	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-33.7	174.2	-70.7	166.9	-172.7	-162.8	6.6	112.9	P387 F393 S524 Q525 R532	P387-R528 PolarHBondContact O-NH1 2.91Å; F393-R528 HydrophobicContact CE2-CB 4.21Å; F393-R528 HydrophobicContact CZ-CB 4.1Å; S524-R528 WeakPolarHBondContact O-CB 3.47Å; S524-R528 WeakPolarHBondContact O-CD 3.39Å; S524-R528 WeakPolarHBondContact O-CG 3.39Å; S524-R528 PolarHBondContact O-N 2.82Å; S524-R528 VanDerWaalsContact O-N 3.15Å; Q525-R528 CarbonylContact O-C 3.59Å; Q525-R528 WeakPolarHBondContact O-CA 3.42Å; Q525-R528 WeakPolarHBondContact O-CB 3.42Å; Q525-R528 PolarHBondContact O-N 2.61Å; R528-R532 VanDerWaalsContact O-CD 3.32Å; R528-R532 WeakPolarHBondContact O-CD 3.45Å; R528-R532 WeakPolarHBondContact O-CG 3.43Å; R528-R532 PolarHBondContact O-N 2.83Å; R528-R532 PolarHBondContact O-NH1 3.21Å
529	E	97.6	Very high	95.3	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-70.5	-47.9	174.6	-71.9	168.5	160	0	0	111	F393 Q525 G526 D527 E531 R532 G533 M534 I536 S537	F393-E529 HydrophobicContact CD2-CG 3.6Å; F393-E529 HydrophobicContact CE2-CG 3.62Å; Q525-E529 HydrophobicContact CG-CG 4.22Å; Q525-E529 PolarHBondContact NE2-OE1 3.35Å; Q525-E529 WeakPolarHBondContact O-CG 3.13Å; Q525-E529 PolarHBondContact O-N 3.4Å; G526-E529 PolarHBondContact O-N 2.72Å; D527-E529 VanDerWaalsContact C-N 3.33Å; D527-E529 PolarHBondContact O-N 2.86Å; E529-E531 VanDerWaalsContact C-N 3.33Å; E529-E531 PolarHBondContact O-N 2.92Å; E529-R532 PolarHBondContact O-N 3.32Å; E529-G533 PolarHBondContact O-N 3.22Å; E529-M534 HydrophobicContact CB-CB 4.18Å; E529-M534 HydrophobicContact CG-CE 4.24Å; E529-M534 PolarHBondContact O-N 3.21Å; E529-I536 WeakPolarHBondContact OE2-CA 3.21Å; E529-S537 WeakPolarHBondContact OE1-CB 3.39Å; E529-S537 PolarHBondContact OE1-OG 3.03Å; E529-S537 PolarHBondContact OE2-N 2.89Å
530	R	95.9	Very high	95	Very high	97 Å²	97	65.8 Å²	65.8	37%	0.366	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-39.8	177.9	-162.1	-175.2	-62.3	107.7	-6	112	G526 D527 R532 G533 I536 D541	G526-R530 WeakPolarHBondContact O-CB 3.39Å; G526-R530 PolarHBondContact O-N 2.92Å; D527-R530 PolarHBondContact O-N 3.5Å; D527-R530 IonicContact OD1-CZ 3.56Å; D527-R530 IonicContact OD1-NH1 3.41Å; D527-R530 PolarHBondContact OD1-NH1 3.35Å; R530-R532 VanDerWaalsContact C-N 3.27Å; R530-R532 PolarHBondContact O-N 3.31Å; R530-G533 PolarHBondContact O-N 2.85Å; R530-I536 HydrophobicContact CB-CD1 4Å; R530-I536 HydrophobicContact CB-CG1 4.31Å; R530-I536 HydrophobicContact CG-CD1 4.11Å; R530-D541 IonicContact CZ-OD2 3.93Å; R530-D541 IonicContact NH2-OD1 3.4Å; R530-D541 PolarHBondContact NH2-OD1 3.4Å; R530-D541 IonicContact NH2-OD2 3.17Å; R530-D541 PolarHBondContact NH2-OD2 3.38Å
531	E	96.7	Very high	94.6	Very high	162 Å²	162	62 Å²	62	76%	0.757	32%	0.32	S	S	*	.	H	α-helix	trans	-61.6	-31.6	173.3	-78.2	-174.9	159.4	0	0	113.7	D527 E529 G533	D527-E531 WeakPolarHBondContact O-CG 3.48Å; D527-E531 PolarHBondContact O-N 3.03Å; E529-E531 VanDerWaalsContact C-N 3.33Å; E529-E531 PolarHBondContact O-N 2.92Å; E531-G533 VanDerWaalsContact C-N 3.34Å
532	R	95.6	Very high	94.1	Very high	131 Å²	131	65.7 Å²	65.7	49%	0.494	34%	0.335	S	S	.	.	H	α-helix	trans	-85.1	-7.6	179.1	-72.2	165.5	177	66.4	-0.9	113	R528 E529 R530 M534	R528-R532 VanDerWaalsContact O-CD 3.32Å; R528-R532 WeakPolarHBondContact O-CD 3.45Å; R528-R532 WeakPolarHBondContact O-CG 3.43Å; R528-R532 PolarHBondContact O-N 2.83Å; R528-R532 PolarHBondContact O-NH1 3.21Å; E529-R532 PolarHBondContact O-N 3.32Å; R530-R532 VanDerWaalsContact C-N 3.27Å; R530-R532 PolarHBondContact O-N 3.31Å; R532-M534 VanDerWaalsContact C-N 3.26Å; R532-M534 HydrophobicContact CB-CG 3.87Å; R532-M534 HydrophobicContact CB-SD 3.8Å; R532-M534 HydrophobicContact CG-SD 4.41Å
533	G	95.3	Very high	93.6	Very high	72 Å²	72	69.5 Å²	69.5	74%	0.742	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	26	-171.4	0	0	0	0	0	113	E529 R530 E531	E529-G533 PolarHBondContact O-N 3.22Å; R530-G533 PolarHBondContact O-N 2.85Å; E531-G533 VanDerWaalsContact C-N 3.34Å
534	M	95.4	Very high	92.9	Very high	50 Å²	50	74.4 Å²	74.4	25%	0.246	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-81.5	159.9	172.5	-66.4	167.6	59.1	0	0	110.1	F393 N396 T397 E529 R532	F393-M534 HydrophobicContact CD2-CE 4.22Å; F393-M534 HydrophobicContact CE2-CE 4.42Å; F393-M534 HydrophobicContact CE2-SD 4.42Å; N396-M534 HydrophobicContact CB-CE 3.8Å; T397-M534 HydrophobicContact CG2-CE 4.15Å; T397-M534 HydrophobicContact CG2-SD 3.76Å; E529-M534 HydrophobicContact CB-CB 4.18Å; E529-M534 HydrophobicContact CG-CE 4.24Å; E529-M534 PolarHBondContact O-N 3.21Å; R532-M534 VanDerWaalsContact C-N 3.26Å; R532-M534 HydrophobicContact CB-CG 3.87Å; R532-M534 HydrophobicContact CB-SD 3.8Å; R532-M534 HydrophobicContact CG-SD 4.41Å
535	E	93.3	Very high	92.3	Very high	182 Å²	182	73.4 Å²	73.4	85%	0.85	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-63.2	137.8	160.1	-173.8	164	-157.5	0	0	108.7
536	I	94	Very high	92	Very high	44 Å²	44	74.8 Å²	74.8	23%	0.226	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-82.4	129.4	-178	-58.7	170.4	0	0	0	108.1	E529 R530 C540 D541	E529-I536 WeakPolarHBondContact OE2-CA 3.21Å; R530-I536 HydrophobicContact CB-CD1 4Å; R530-I536 HydrophobicContact CB-CG1 4.31Å; R530-I536 HydrophobicContact CG-CD1 4.11Å; I536-C540 HydrophobicContact CG2-CB 3.95Å; I536-D541 WeakPolarHBondContact CD1-OD2 3.33Å; I536-D541 HydrophobicContact CG2-CB 3.97Å
537	S	90.4	Very high	91.7	Very high	31 Å²	31	76.4 Å²	76.4	22%	0.217	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-61.1	149.6	-178.2	-71.5	0	0	0	0	111.4	Q525 E529 C540	Q525-S537 PolarHBondContact NE2-OG 3.04Å; E529-S537 WeakPolarHBondContact OE1-CB 3.39Å; E529-S537 PolarHBondContact OE1-OG 3.03Å; E529-S537 PolarHBondContact OE2-N 2.89Å; S537-C540 VanDerWaalsContact O-CB 3.28Å; S537-C540 WeakPolarHBondContact O-CB 3.41Å; S537-C540 PolarHBondContact O-N 2.76Å
538	P	87.4	Confident	91.5	Very high	123 Å²	123	76.3 Å²	76.3	80%	0.799	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	145	170.3	-28.3	36.2	0	0	0	111.8	C540	P538-C540 PolarHBondContact O-N 2.64Å; P538-C540 PolarHBondContact O-SG 3.28Å
539	M	85.8	Confident	91.2	Very high	54 Å²	54	78.3 Å²	78.3	27%	0.266	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	-10.6	-171.4	-61.3	-53.1	-57.7	0	0	117.1	M519 F522 F523 A545 S550	M519-M539 HydrophobicContact CE-CE 4Å; M519-M539 HydrophobicContact SD-CE 4.04Å; F522-M539 HydrophobicContact CD2-CB 4.15Å; F523-M539 WeakPolarHBondContact CE1-O 3.31Å; M539-A545 HydrophobicContact CE-CB 3.73Å; M539-A545 HydrophobicContact SD-CB 4.48Å; M539-S550 WeakPolarHBondContact CE-OG 3.32Å
540	C	90.9	Very high	90.9	Very high	6 Å²	6	79.7 Å²	79.7	4%	0.041	42%	0.416	C	S	.	.			trans	-85.1	-10.5	-176.6	-60.5	0	0	0	0	114.4	F522 F523 G526 I536 S537 P538	F522-C540 WeakPolarHBondContact O-CA 3.27Å; F522-C540 VanDerWaalsContact O-CB 3.27Å; F522-C540 WeakPolarHBondContact O-CB 2.93Å; F523-C540 WeakPolarHBondContact CA-O 3.49Å; G526-C540 WeakPolarHBondContact CA-O 3.34Å; I536-C540 HydrophobicContact CG2-CB 3.95Å; S537-C540 VanDerWaalsContact O-CB 3.28Å; S537-C540 WeakPolarHBondContact O-CB 3.41Å; S537-C540 PolarHBondContact O-N 2.76Å; P538-C540 PolarHBondContact O-N 2.64Å; P538-C540 PolarHBondContact O-SG 3.28Å
541	D	89.5	Confident	90.9	Very high	37 Å²	37	75.6 Å²	75.6	20%	0.198	40%	0.401	C	S	.	.			trans	-94.1	107	171.2	-155.9	-33.7	0	0	0	113	R530 I536 H543 N544 A545	R530-D541 IonicContact CZ-OD2 3.93Å; R530-D541 IonicContact NH2-OD1 3.4Å; R530-D541 PolarHBondContact NH2-OD1 3.4Å; R530-D541 IonicContact NH2-OD2 3.17Å; R530-D541 PolarHBondContact NH2-OD2 3.38Å; I536-D541 WeakPolarHBondContact CD1-OD2 3.33Å; I536-D541 HydrophobicContact CG2-CB 3.97Å; D541-H543 PolarHBondContact O-N 2.85Å; D541-H543 WeakPolarHBondContact OD1-CB 3.33Å; D541-H543 IonicContact OD1-CD2 2.72Å; D541-H543 PolarHBondContact OD1-CD2 3.43Å; D541-H543 VanDerWaalsContact OD1-CD2 3.27Å; D541-H543 IonicContact OD1-CG 3.39Å; D541-H543 PolarHBondContact OD1-N 3.17Å; D541-N544 PolarHBondContact O-N 2.79Å; D541-A545 WeakPolarHBondContact O-CB 3.47Å; D541-A545 PolarHBondContact O-N 3.27Å
542	K	88	Confident	90.8	Very high	86 Å²	86	68.4 Å²	68.4	37%	0.374	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-11.5	171.4	70	-155.9	178.1	-159.7	0	116.1	F523 D527	F523-K542 HydrophobicContact CB-CB 4.19Å; F523-K542 HydrophobicContact CB-CD 4.42Å; F523-K542 HydrophobicContact CD1-CB 3.75Å; F523-K542 HydrophobicContact CD2-CB 3.7Å; F523-K542 HydrophobicContact CE1-CB 4.03Å; F523-K542 HydrophobicContact CE2-CB 3.97Å; F523-K542 HydrophobicContact CG-CB 3.6Å; F523-K542 HydrophobicContact CZ-CB 4.13Å; D527-K542 IonicContact OD1-NZ 2.8Å; D527-K542 PolarHBondContact OD1-NZ 3.42Å; D527-K542 IonicContact OD2-NZ 2.81Å; D527-K542 PolarHBondContact OD2-NZ 3.42Å
543	H	85.7	Confident	90.4	Very high	151 Å²	151	63.2 Å²	63.2	70%	0.699	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-7.8	175.5	-58.8	-58.6	0	0	0	113.8	D541	D541-H543 PolarHBondContact O-N 2.85Å; D541-H543 WeakPolarHBondContact OD1-CB 3.33Å; D541-H543 IonicContact OD1-CD2 2.72Å; D541-H543 PolarHBondContact OD1-CD2 3.43Å; D541-H543 VanDerWaalsContact OD1-CD2 3.27Å; D541-H543 IonicContact OD1-CG 3.39Å; D541-H543 PolarHBondContact OD1-N 3.17Å
544	N	84.4	Confident	90.4	Very high	148 Å²	148	63 Å²	63	79%	0.791	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.5	-16.6	-176.3	-169.3	64.1	0	0	0	114.2	D541 S546	D541-N544 PolarHBondContact O-N 2.79Å; N544-S546 PolarHBondContact O-N 3.08Å
545	A	84.9	Confident	90.4	Very high	27 Å²	27	60.6 Å²	60.6	22%	0.223	32%	0.322	C	S	.	.			trans	-66.3	126.2	176	0	0	0	0	0	112.3	F523 M539 D541	F523-A545 HydrophobicContact CE1-CB 3.79Å; F523-A545 HydrophobicContact CZ-CB 4.15Å; M539-A545 HydrophobicContact CE-CB 3.73Å; M539-A545 HydrophobicContact SD-CB 4.48Å; D541-A545 WeakPolarHBondContact O-CB 3.47Å; D541-A545 PolarHBondContact O-N 3.27Å
546	S	89.5	Confident	90.2	Very high	40 Å²	40	54.6 Å²	54.6	28%	0.28	30%	0.296	S	S	.	.			trans	-97.8	106.9	161	174.4	0	0	0	0	108.1	N544 E548 S550	N544-S546 PolarHBondContact O-N 3.08Å; S546-E548 VanDerWaalsContact C-N 3.33Å; S546-E548 PolarHBondContact O-N 2.99Å; S546-E548 PolarHBondContact OG-OE2 3.41Å; S546-S550 WeakPolarHBondContact O-CB 3.35Å; S546-S550 PolarHBondContact O-N 3.04Å; S546-S550 VanDerWaalsContact O-N 3.13Å
547	V	91.9	Very high	89.8	Confident	34 Å²	34	60.7 Å²	60.7	21%	0.206	32%	0.317	C	S	.	.	H	α-helix	trans	-62.2	-44.5	-176.5	176.6	0	0	0	0	110	T515 M519 S550 Q551	T515-V547 HydrophobicContact CG2-CG1 3.5Å; T515-V547 VanDerWaalsContact CG2-CG1 3.5Å; M519-V547 HydrophobicContact CE-CG1 4.25Å; M519-V547 HydrophobicContact CG-CG1 4.1Å; M519-V547 HydrophobicContact CG-CG2 4.04Å; M519-V547 HydrophobicContact SD-CG2 4.07Å; V547-S550 CarbonylContact O-C 3.51Å; V547-S550 WeakPolarHBondContact O-CB 3.36Å; V547-S550 PolarHBondContact O-N 3.43Å; V547-Q551 HydrophobicContact CG1-CG 4.37Å; V547-Q551 WeakPolarHBondContact O-CG 3.22Å; V547-Q551 PolarHBondContact O-N 2.74Å
548	E	93.1	Very high	90	Very high	52 Å²	52	61.3 Å²	61.3	24%	0.243	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-51	-173.4	-46.7	76	-167.7	0	0	111	S546 S550 Q551 V552 Y588 I592	S546-E548 VanDerWaalsContact C-N 3.33Å; S546-E548 PolarHBondContact O-N 2.99Å; S546-E548 PolarHBondContact OG-OE2 3.41Å; E548-S550 VanDerWaalsContact C-N 3.28Å; E548-S550 PolarHBondContact O-N 2.99Å; E548-Q551 PolarHBondContact O-N 2.8Å; E548-V552 PolarHBondContact O-N 3.01Å; E548-Y588 HydrophobicContact CB-CD1 4.39Å; E548-I592 HydrophobicContact CB-CB 4.5Å; E548-I592 HydrophobicContact CB-CG1 3.7Å
549	K	90.4	Very high	90.5	Very high	117 Å²	117	55.5 Å²	55.5	51%	0.509	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-36.4	175.2	-68.4	-176.3	178.5	-174.1	0	112.1	G553 I592	K549-G553 PolarHBondContact O-N 3.05Å; K549-I592 HydrophobicContact CD-CG2 4.38Å; K549-I592 VanDerWaalsContact CE-CG2 3.45Å; K549-I592 HydrophobicContact CG-CD1 3.89Å; K549-I592 HydrophobicContact CG-CG1 3.98Å; K549-I592 HydrophobicContact CG-CG2 3.99Å
550	S	91.1	Very high	90.9	Very high	30 Å²	30	55.1 Å²	55.1	21%	0.21	28%	0.277	C	S	.	.	H	α-helix	trans	-69.8	-34.4	176.6	-178.2	0	0	0	0	112.8	M539 S546 V547 E548 F554	M539-S550 WeakPolarHBondContact CE-OG 3.32Å; S546-S550 WeakPolarHBondContact O-CB 3.35Å; S546-S550 PolarHBondContact O-N 3.04Å; S546-S550 VanDerWaalsContact O-N 3.13Å; V547-S550 CarbonylContact O-C 3.51Å; V547-S550 WeakPolarHBondContact O-CB 3.36Å; V547-S550 PolarHBondContact O-N 3.43Å; E548-S550 VanDerWaalsContact C-N 3.28Å; E548-S550 PolarHBondContact O-N 2.99Å; S550-F554 WeakPolarHBondContact O-CB 3.42Å; S550-F554 PolarHBondContact O-N 2.67Å
551	Q	96.4	Very high	91.1	Very high	11 Å²	11	56.1 Å²	56.1	5%	0.051	28%	0.284	C	S	.	.	H	α-helix	trans	-70.9	-42	174.8	-65.9	-49.3	-105.3	0	0	111.3	Y511 T515 V547 E548 F554 I555 Y588	Y511-Q551 PolarHBondContact OH-OE1 3.11Å; T515-Q551 HydrophobicContact CG2-CG 3.71Å; T515-Q551 VanDerWaalsContact CG2-OE1 3.32Å; T515-Q551 PolarHBondContact OG1-OE1 3.27Å; V547-Q551 HydrophobicContact CG1-CG 4.37Å; V547-Q551 WeakPolarHBondContact O-CG 3.22Å; V547-Q551 PolarHBondContact O-N 2.74Å; E548-Q551 PolarHBondContact O-N 2.8Å; Q551-F554 PolarHBondContact O-N 3.16Å; Q551-I555 WeakPolarHBondContact O-CG1 3.4Å; Q551-I555 PolarHBondContact O-N 3.39Å; Q551-Y588 HydrophobicContact CB-CD1 3.98Å; Q551-Y588 HydrophobicContact CB-CD2 3.94Å; Q551-Y588 HydrophobicContact CB-CE1 4.27Å; Q551-Y588 HydrophobicContact CB-CE2 4.22Å; Q551-Y588 HydrophobicContact CB-CG 3.8Å; Q551-Y588 HydrophobicContact CG-CD1 4.11Å; Q551-Y588 HydrophobicContact CG-CD2 4.32Å; Q551-Y588 HydrophobicContact CG-CE1 3.88Å; Q551-Y588 HydrophobicContact CG-CE2 4.1Å; Q551-Y588 HydrophobicContact CG-CG 4.31Å
552	V	94.4	Very high	91.4	Very high	10 Å²	10	54.3 Å²	54.3	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-54.3	174.1	174.7	0	0	0	0	111	E548 F554 I555 D556 Q589 I592	E548-V552 PolarHBondContact O-N 3.01Å; V552-F554 VanDerWaalsContact C-N 3.29Å; V552-F554 PolarHBondContact O-N 3.01Å; V552-I555 PolarHBondContact O-N 2.72Å; V552-I555 VanDerWaalsContact O-N 3.09Å; V552-D556 WeakPolarHBondContact CG1-OD2 3.38Å; V552-D556 PolarHBondContact O-N 3.45Å; V552-Q589 HydrophobicContact CG2-CB 3.96Å; V552-I592 HydrophobicContact CG2-CD1 4.28Å
553	G	86.4	Confident	91.8	Very high	22 Å²	22	50.3 Å²	50.3	23%	0.227	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-30.7	179.9	0	0	0	0	0	114.2	K549 Y557	K549-G553 PolarHBondContact O-N 3.05Å; G553-Y557 WeakPolarHBondContact O-CB 3.49Å; G553-Y557 WeakPolarHBondContact O-CD2 3.39Å; G553-Y557 PolarHBondContact O-N 3.37Å; G553-Y557 VanDerWaalsContact O-N 3.12Å
554	F	95.1	Very high	92.3	Very high	68 Å²	68	46.7 Å²	46.7	30%	0.298	24%	0.24	S	C	.	.	H	α-helix	trans	-68.9	-38.2	173.2	177.7	-121.9	0	0	0	112	L501 P504 S550 Q551 V552 I558 V559	L501-F554 HydrophobicContact CD2-CE2 4.36Å; L501-F554 HydrophobicContact CD2-CZ 3.82Å; P504-F554 HydrophobicContact CG-CD1 4.37Å; P504-F554 HydrophobicContact CG-CE1 4.07Å; S550-F554 WeakPolarHBondContact O-CB 3.42Å; S550-F554 PolarHBondContact O-N 2.67Å; Q551-F554 PolarHBondContact O-N 3.16Å; V552-F554 VanDerWaalsContact C-N 3.29Å; V552-F554 PolarHBondContact O-N 3.01Å; F554-I558 HydrophobicContact CD2-CB 4.06Å; F554-I558 HydrophobicContact CD2-CG1 4.24Å; F554-I558 HydrophobicContact CD2-CG2 4.32Å; F554-I558 HydrophobicContact CE2-CB 4.21Å; F554-I558 HydrophobicContact CE2-CG2 3.95Å; F554-I558 WeakPolarHBondContact O-CB 3.4Å; F554-I558 PolarHBondContact O-N 3.25Å; F554-V559 HydrophobicContact CD1-CG2 3.84Å; F554-V559 HydrophobicContact CD2-CG2 4.28Å; F554-V559 HydrophobicContact CE1-CG2 3.53Å; F554-V559 HydrophobicContact CE2-CG2 4Å; F554-V559 HydrophobicContact CG-CG2 4.22Å; F554-V559 HydrophobicContact CZ-CG2 3.63Å; F554-V559 PolarHBondContact O-N 3.41Å; F554-V559 VanDerWaalsContact O-N 3.1Å
555	I	96.3	Very high	92.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	I	π-helix	trans	-66.3	-56.1	172.9	-64.8	167.8	0	0	0	109.9	P504 Y511 Q551 V552 Y557 V559 H560 L581 R585	P504-I555 HydrophobicContact CB-CD1 4.09Å; P504-I555 HydrophobicContact CB-CG1 3.94Å; P504-I555 HydrophobicContact CG-CG1 4.48Å; Y511-I555 HydrophobicContact CE1-CD1 4.16Å; Q551-I555 WeakPolarHBondContact O-CG1 3.4Å; Q551-I555 PolarHBondContact O-N 3.39Å; V552-I555 PolarHBondContact O-N 2.72Å; V552-I555 VanDerWaalsContact O-N 3.09Å; I555-Y557 VanDerWaalsContact C-N 3.32Å; I555-Y557 PolarHBondContact O-N 2.81Å; I555-V559 PolarHBondContact O-N 3.45Å; I555-H560 HydrophobicContact CG2-CB 4.03Å; I555-H560 VanDerWaalsContact O-CB 3.29Å; I555-H560 WeakPolarHBondContact O-CB 3.29Å; I555-H560 PolarHBondContact O-N 3.2Å; I555-L581 HydrophobicContact CB-CD1 4.45Å; I555-L581 HydrophobicContact CD1-CD1 4.06Å; I555-L581 HydrophobicContact CG1-CD1 3.96Å; I555-L581 HydrophobicContact CG2-CD1 3.66Å; I555-L581 HydrophobicContact CG2-CD2 4.32Å; I555-L581 HydrophobicContact CG2-CG 3.92Å; I555-R585 HydrophobicContact CB-CB 4.48Å; I555-R585 HydrophobicContact CB-CG 4.06Å; I555-R585 HydrophobicContact CD1-CB 3.76Å; I555-R585 HydrophobicContact CD1-CG 4.09Å; I555-R585 HydrophobicContact CG2-CB 4Å; I555-R585 HydrophobicContact CG2-CG 3.76Å
556	D	88.8	Confident	93.3	Very high	55 Å²	55	38.5 Å²	38.5	29%	0.294	19%	0.192	S	C	.	.	I	π-helix	trans	-58	-38.8	-173	-64.1	-4.1	0	0	0	113.4	V552 R585	V552-D556 WeakPolarHBondContact CG1-OD2 3.38Å; V552-D556 PolarHBondContact O-N 3.45Å; D556-R585 IonicContact OD1-CZ 3.46Å; D556-R585 IonicContact OD1-NE 3.92Å; D556-R585 PolarHBondContact OD1-NE 2.88Å; D556-R585 IonicContact OD1-NH2 3.6Å; D556-R585 PolarHBondContact OD1-NH2 3.13Å; D556-R585 IonicContact OD2-CZ 2.63Å; D556-R585 IonicContact OD2-NE 2.74Å; D556-R585 IonicContact OD2-NH2 3.27Å; D556-R585 PolarHBondContact OD2-NH2 3.28Å
557	Y	86.3	Confident	93.6	Very high	173 Å²	173	37 Å²	37	68%	0.678	18%	0.183	S	C	*	.	I	π-helix	trans	-104.8	-13.2	-171.8	-58.6	-53.3	0	0	0	116	G553 I555	G553-Y557 WeakPolarHBondContact O-CB 3.49Å; G553-Y557 WeakPolarHBondContact O-CD2 3.39Å; G553-Y557 PolarHBondContact O-N 3.37Å; G553-Y557 VanDerWaalsContact O-N 3.12Å; I555-Y557 VanDerWaalsContact C-N 3.32Å; I555-Y557 PolarHBondContact O-N 2.81Å
558	I	93.4	Very high	93.6	Very high	44 Å²	44	39.5 Å²	39.5	23%	0.226	20%	0.195	C	C	.	.	I	π-helix	trans	-130.7	-55	-174.4	-57.5	-67.3	0	0	0	111.6	H458 M459 L501 F554 L562	H458-I558 PolarHBondContact CE1-O 3.14Å; M459-I558 HydrophobicContact CE-CD1 4.03Å; L501-I558 HydrophobicContact CD1-CG2 4.12Å; F554-I558 HydrophobicContact CD2-CB 4.06Å; F554-I558 HydrophobicContact CD2-CG1 4.24Å; F554-I558 HydrophobicContact CD2-CG2 4.32Å; F554-I558 HydrophobicContact CE2-CB 4.21Å; F554-I558 HydrophobicContact CE2-CG2 3.95Å; F554-I558 WeakPolarHBondContact O-CB 3.4Å; F554-I558 PolarHBondContact O-N 3.25Å; I558-L562 WeakPolarHBondContact O-CB 3.47Å
559	V	97.6	Very high	93.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-83.8	-42.7	-167.9	-175.7	0	0	0	0	111.9	P504 F554 I555 L562 W563 L581	P504-V559 HydrophobicContact CB-CG1 4.2Å; P504-V559 HydrophobicContact CG-CG1 4.08Å; P504-V559 HydrophobicContact CG-CG2 4.25Å; F554-V559 HydrophobicContact CD1-CG2 3.84Å; F554-V559 HydrophobicContact CD2-CG2 4.28Å; F554-V559 HydrophobicContact CE1-CG2 3.53Å; F554-V559 HydrophobicContact CE2-CG2 4Å; F554-V559 HydrophobicContact CG-CG2 4.22Å; F554-V559 HydrophobicContact CZ-CG2 3.63Å; F554-V559 PolarHBondContact O-N 3.41Å; F554-V559 VanDerWaalsContact O-N 3.1Å; I555-V559 PolarHBondContact O-N 3.45Å; V559-L562 PolarHBondContact O-N 3.42Å; V559-W563 PolarHBondContact O-N 3.34Å; V559-L581 HydrophobicContact CG1-CD1 4.18Å; V559-L581 HydrophobicContact CG1-CD2 4.24Å
560	H	94.3	Very high	93.7	Very high	47 Å²	47	31.7 Å²	31.7	22%	0.218	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-50.4	177.5	-170.5	-67	0	0	0	112.3	I555 L562 W563 E564 L581	I555-H560 HydrophobicContact CG2-CB 4.03Å; I555-H560 VanDerWaalsContact O-CB 3.29Å; I555-H560 WeakPolarHBondContact O-CB 3.29Å; I555-H560 PolarHBondContact O-N 3.2Å; H560-L562 PolarHBondContact O-N 3.16Å; H560-L562 VanDerWaalsContact O-N 3.16Å; H560-W563 PolarHBondContact O-N 3.11Å; H560-E564 WeakPolarHBondContact O-CB 3.4Å; H560-E564 PolarHBondContact O-N 3.34Å; H560-L581 HydrophobicContact CB-CD2 4.13Å
561	P	94.8	Very high	93.6	Very high	26 Å²	26	36.3 Å²	36.3	17%	0.169	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-30.1	179.6	-24	35.7	0	0	0	113.4	L462 T565	L462-P561 WeakPolarHBondContact CD1-O 3.21Å; L462-P561 HydrophobicContact CD2-CB 4.12Å; P561-T565 WeakPolarHBondContact O-CB 3.41Å; P561-T565 PolarHBondContact O-N 3.05Å; P561-T565 PolarHBondContact O-OG1 2.85Å
562	L	96	Very high	93.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-71.3	-52.7	174.9	178.6	64.7	0	0	0	112.2	L465 L501 I558 V559 H560 T565 W566	L465-L562 HydrophobicContact CD2-CD1 4.29Å; L501-L562 HydrophobicContact CB-CD2 4.18Å; L501-L562 HydrophobicContact CD1-CD2 3.67Å; I558-L562 WeakPolarHBondContact O-CB 3.47Å; V559-L562 PolarHBondContact O-N 3.42Å; H560-L562 PolarHBondContact O-N 3.16Å; H560-L562 VanDerWaalsContact O-N 3.16Å; L562-T565 PolarHBondContact O-N 3.14Å; L562-W566 WeakPolarHBondContact O-CB 3.41Å; L562-W566 PolarHBondContact O-N 3.27Å
563	W	98.1	Very high	93.3	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-70.1	-32.5	-177.8	-82.5	100.7	0	0	0	112.7	W284 L357 C498 L501 T505 V559 H560 W566 A567 I577 L578 L581	W284-W563 AromaticContact CH2-CH2 3.57Å; W284-W563 HydrophobicContact CH2-CH2 3.57Å; W284-W563 AromaticContact CH2-CZ2 3.98Å; W284-W563 HydrophobicContact CH2-CZ2 3.98Å; W284-W563 AromaticContact CZ2-CH2 3.62Å; W284-W563 HydrophobicContact CZ2-CH2 3.62Å; W284-W563 AromaticContact CZ2-CZ2 3.83Å; W284-W563 HydrophobicContact CZ2-CZ2 3.83Å; L357-W563 HydrophobicContact CD1-CH2 4.15Å; L357-W563 HydrophobicContact CD2-CH2 4.16Å; L357-W563 HydrophobicContact CD2-CZ3 4.21Å; C498-W563 HydrophobicContact CB-CH2 4.04Å; C498-W563 HydrophobicContact CB-CZ2 3.84Å; C498-W563 HydrophobicContact CB-CZ3 4.48Å; C498-W563 WeakPolarHBondContact O-CZ2 3.37Å; L501-W563 PolarHBondContact O-NE1 3Å; T505-W563 HydrophobicContact CG2-CD2 3.98Å; T505-W563 HydrophobicContact CG2-CG 3.91Å; T505-W563 HydrophobicContact CG2-CZ2 4.38Å; V559-W563 PolarHBondContact O-N 3.34Å; H560-W563 PolarHBondContact O-N 3.11Å; W563-W566 AromaticContact CE3-CD1 3.85Å; W563-W566 HydrophobicContact CE3-CG 4.37Å; W563-W566 AromaticContact CZ3-CD1 3.73Å; W563-W566 HydrophobicContact CZ3-CG 4.46Å; W563-W566 PolarHBondContact O-N 3.06Å; W563-A567 VanDerWaalsContact O-CB 3.27Å; W563-A567 WeakPolarHBondContact O-CB 3.44Å; W563-A567 PolarHBondContact O-N 3.12Å; W563-I577 HydrophobicContact CD2-CG2 4.21Å; W563-I577 HydrophobicContact CE3-CG2 3.76Å; W563-I577 HydrophobicContact CH2-CG2 4.08Å; W563-I577 HydrophobicContact CZ2-CG2 4.48Å; W563-I577 HydrophobicContact CZ3-CD1 4.08Å; W563-I577 HydrophobicContact CZ3-CG2 3.71Å; W563-L578 HydrophobicContact CB-CD2 3.91Å; W563-L581 HydrophobicContact CB-CD2 4.21Å
564	E	95.6	Very high	93.7	Very high	75 Å²	75	41.2 Å²	41.2	35%	0.35	20%	0.204	S	C	.	.	H	α-helix	trans	-56.4	-55.2	168.4	175.3	-171.8	-120.5	0	0	110.1	K466 H560 W566 A567 D568	K466-E564 IonicContact NZ-OE2 2.61Å; H560-E564 WeakPolarHBondContact O-CB 3.4Å; H560-E564 PolarHBondContact O-N 3.34Å; E564-W566 VanDerWaalsContact C-N 3.31Å; E564-W566 PolarHBondContact O-N 2.86Å; E564-A567 PolarHBondContact O-N 2.83Å; E564-D568 PolarHBondContact O-N 3.37Å
565	T	93.1	Very high	93.7	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-35.2	179.3	-48.9	0	0	0	0	112.5	L462 L465 K466 V469 P561 L562 L569	L462-T565 HydrophobicContact CD1-CG2 4.43Å; L462-T565 WeakPolarHBondContact CD1-OG1 3.41Å; L465-T565 HydrophobicContact CB-CG2 4.11Å; L465-T565 HydrophobicContact CD2-CG2 3.8Å; L465-T565 HydrophobicContact CG-CG2 3.71Å; K466-T565 HydrophobicContact CB-CG2 4.29Å; K466-T565 WeakPolarHBondContact CE-OG1 3.43Å; K466-T565 HydrophobicContact CG-CG2 3.44Å; K466-T565 VanDerWaalsContact CG-CG2 3.44Å; V469-T565 HydrophobicContact CG2-CG2 3.94Å; V469-T565 WeakPolarHBondContact CG2-O 3.35Å; P561-T565 WeakPolarHBondContact O-CB 3.41Å; P561-T565 PolarHBondContact O-N 3.05Å; P561-T565 PolarHBondContact O-OG1 2.85Å; L562-T565 PolarHBondContact O-N 3.14Å; T565-L569 PolarHBondContact O-N 3.47Å; T565-L569 VanDerWaalsContact O-N 3.09Å
566	W	96.8	Very high	93.7	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-45.5	174.7	178.1	-92.9	0	0	0	111.4	L357 L363 V491 N494 M495 L562 W563 E564 L569 V570	L357-W566 HydrophobicContact CB-CZ2 4.35Å; L357-W566 HydrophobicContact CD2-CZ2 4.33Å; L363-W566 HydrophobicContact CD1-CH2 4.09Å; L363-W566 HydrophobicContact CD1-CZ2 4.09Å; V491-W566 HydrophobicContact CG1-CH2 4Å; V491-W566 HydrophobicContact CG1-CZ3 4.03Å; N494-W566 HydrophobicContact CB-CZ3 4.44Å; M495-W566 HydrophobicContact CB-CH2 3.65Å; M495-W566 HydrophobicContact CB-CZ2 4.48Å; M495-W566 HydrophobicContact CB-CZ3 3.93Å; M495-W566 HydrophobicContact CE-CH2 3.72Å; M495-W566 HydrophobicContact CE-CZ2 4.13Å; M495-W566 HydrophobicContact CG-CH2 3.93Å; M495-W566 HydrophobicContact CG-CZ2 4.34Å; L562-W566 WeakPolarHBondContact O-CB 3.41Å; L562-W566 PolarHBondContact O-N 3.27Å; W563-W566 AromaticContact CE3-CD1 3.85Å; W563-W566 HydrophobicContact CE3-CG 4.37Å; W563-W566 AromaticContact CZ3-CD1 3.73Å; W563-W566 HydrophobicContact CZ3-CG 4.46Å; W563-W566 PolarHBondContact O-N 3.06Å; E564-W566 VanDerWaalsContact C-N 3.31Å; E564-W566 PolarHBondContact O-N 2.86Å; W566-L569 WeakPolarHBondContact O-CB 3.46Å; W566-L569 PolarHBondContact O-N 2.69Å; W566-L569 VanDerWaalsContact O-N 3.11Å; W566-V570 HydrophobicContact CZ2-CG1 4.19Å; W566-V570 WeakPolarHBondContact O-CG2 3.49Å; W566-V570 PolarHBondContact O-N 2.91Å; W566-V570 VanDerWaalsContact O-N 3.12Å
567	A	95.4	Very high	94.1	Very high	9 Å²	9	46.2 Å²	46.2	7%	0.074	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-41.9	175.9	0	0	0	0	0	111.4	W563 E564 L569 V570 H571 A574 L578	W563-A567 VanDerWaalsContact O-CB 3.27Å; W563-A567 WeakPolarHBondContact O-CB 3.44Å; W563-A567 PolarHBondContact O-N 3.12Å; E564-A567 PolarHBondContact O-N 2.83Å; A567-L569 PolarHBondContact O-N 3.28Å; A567-V570 CarbonylContact O-C 3.23Å; A567-V570 PolarHBondContact O-N 3.41Å; A567-H571 VanDerWaalsContact O-CA 3.23Å; A567-H571 WeakPolarHBondContact O-CA 3.3Å; A567-H571 VanDerWaalsContact O-CB 3.31Å; A567-H571 WeakPolarHBondContact O-CB 3.41Å; A567-H571 PolarHBondContact O-N 3.32Å; A567-A574 HydrophobicContact CB-CB 3.92Å; A567-L578 HydrophobicContact CB-CD1 3.6Å; A567-L578 HydrophobicContact CB-CG 4.09Å
568	D	92.3	Very high	94.6	Very high	87 Å²	87	38.9 Å²	38.9	47%	0.465	20%	0.203	S	C	.	.	H	α-helix	trans	-56.5	-37.5	171.4	-95.7	-19.7	0	0	0	112.3	V469 K472 E564	V469-D568 HydrophobicContact CG1-CB 3.91Å; V469-D568 HydrophobicContact CG2-CB 4.2Å; K472-D568 PolarHBondContact NZ-O 2.91Å; E564-D568 PolarHBondContact O-N 3.37Å
569	L	91.6	Very high	94.8	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-50.4	176.3	-173.3	64.9	0	0	0	111.2	L465 M468 V469 K472 L480 V491 T565 W566 A567	L465-L569 HydrophobicContact CD1-CD2 3.89Å; M468-L569 HydrophobicContact CG-CD1 4.34Å; V469-L569 HydrophobicContact CG2-CB 3.88Å; V469-L569 HydrophobicContact CG2-CD1 4.16Å; K472-L569 HydrophobicContact CB-CD1 4.4Å; K472-L569 HydrophobicContact CD-CD1 4.23Å; K472-L569 PolarHBondContact NZ-O 2.66Å; L480-L569 HydrophobicContact CD1-CD1 4.05Å; L480-L569 HydrophobicContact CD2-CD1 3.94Å; L480-L569 HydrophobicContact CD2-CD2 4.16Å; L480-L569 HydrophobicContact CD2-CG 4.03Å; V491-L569 HydrophobicContact CG1-CD2 4.46Å; V491-L569 HydrophobicContact CG2-CD2 4.13Å; T565-L569 PolarHBondContact O-N 3.47Å; T565-L569 VanDerWaalsContact O-N 3.09Å; W566-L569 WeakPolarHBondContact O-CB 3.46Å; W566-L569 PolarHBondContact O-N 2.69Å; W566-L569 VanDerWaalsContact O-N 3.11Å; A567-L569 PolarHBondContact O-N 3.28Å
570	V	94.1	Very high	94.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-100.8	13.7	-171.5	-53	0	0	0	0	115.2	T360 A362 L363 W566 A567 D573 A574	T360-V570 HydrophobicContact CG2-CB 3.7Å; T360-V570 HydrophobicContact CG2-CG1 3.98Å; T360-V570 HydrophobicContact CG2-CG2 3.98Å; A362-V570 HydrophobicContact CB-CB 3.98Å; A362-V570 HydrophobicContact CB-CG1 4.42Å; L363-V570 HydrophobicContact CD1-CG1 4.15Å; L363-V570 HydrophobicContact CD2-CG1 4.41Å; L363-V570 HydrophobicContact CG-CG1 4.19Å; W566-V570 HydrophobicContact CZ2-CG1 4.19Å; W566-V570 WeakPolarHBondContact O-CG2 3.49Å; W566-V570 PolarHBondContact O-N 2.91Å; W566-V570 VanDerWaalsContact O-N 3.12Å; A567-V570 CarbonylContact O-C 3.23Å; A567-V570 PolarHBondContact O-N 3.41Å; V570-D573 HydrophobicContact CG2-CB 4.35Å; V570-D573 WeakPolarHBondContact O-CB 3.42Å; V570-D573 PolarHBondContact O-N 2.92Å; V570-A574 HydrophobicContact CG2-CB 3.93Å
571	H	89.8	Confident	95.1	Very high	127 Å²	127	40.2 Å²	40.2	59%	0.588	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	129.5	-173.9	169.2	-72.4	0	0	0	112.5	A567	A567-H571 VanDerWaalsContact O-CA 3.23Å; A567-H571 WeakPolarHBondContact O-CA 3.3Å; A567-H571 VanDerWaalsContact O-CB 3.31Å; A567-H571 WeakPolarHBondContact O-CB 3.41Å; A567-H571 PolarHBondContact O-N 3.32Å
572	P	92.6	Very high	95.2	Very high	82 Å²	82	43.8 Å²	43.8	53%	0.532	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	cis	-97.2	4.1	14.4	38.2	-36.7	0	0	0	115.1	A574 Q575	P572-A574 PolarHBondContact O-N 2.98Å; P572-Q575 PolarHBondContact O-N 3.2Å
573	D	91.6	Very high	95.3	Very high	61 Å²	61	49.6 Å²	49.6	33%	0.326	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-8.8	-156.5	-63.1	-28.2	0	0	0	116.4	T360 P361 A362 V570	T360-D573 HydrophobicContact CG2-CB 3.66Å; T360-D573 VanDerWaalsContact CG2-OD2 3.28Å; T360-D573 WeakPolarHBondContact CG2-OD2 3.31Å; P361-D573 WeakPolarHBondContact CB-OD2 3.48Å; P361-D573 VanDerWaalsContact CD-OD2 3.24Å; P361-D573 WeakPolarHBondContact CD-OD2 3.35Å; A362-D573 WeakPolarHBondContact CB-OD2 3.45Å; A362-D573 PolarHBondContact N-OD2 3.48Å; V570-D573 HydrophobicContact CG2-CB 4.35Å; V570-D573 WeakPolarHBondContact O-CB 3.42Å; V570-D573 PolarHBondContact O-N 2.92Å
574	A	94.2	Very high	95.3	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.017	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	9	-177.4	0	0	0	0	0	114.3	A567 V570 P572 D576 I577 L578	A567-A574 HydrophobicContact CB-CB 3.92Å; V570-A574 HydrophobicContact CG2-CB 3.93Å; P572-A574 PolarHBondContact O-N 2.98Å; A574-D576 PolarHBondContact O-N 3.32Å; A574-I577 HydrophobicContact CB-CD1 4.4Å; A574-I577 VanDerWaalsContact O-CB 3.29Å; A574-I577 WeakPolarHBondContact O-CB 3.4Å; A574-I577 PolarHBondContact O-N 3.38Å; A574-L578 PolarHBondContact O-N 2.99Å
575	Q	95	Very high	95.5	Very high	82 Å²	82	49.6 Å²	49.6	38%	0.383	26%	0.257	S	S	.	.	H	α-helix	trans	-59.1	-48.8	-175.9	-168.8	61.3	52.6	0	0	112.7	P572 I577 L578 D579	P572-Q575 PolarHBondContact O-N 3.2Å; Q575-I577 PolarHBondContact O-N 3.42Å; Q575-L578 WeakPolarHBondContact O-CA 3.41Å; Q575-L578 WeakPolarHBondContact O-CB 3.42Å; Q575-L578 PolarHBondContact O-N 3.27Å; Q575-D579 PolarHBondContact NE2-OD1 2.81Å; Q575-D579 PolarHBondContact O-N 3.3Å; Q575-D579 VanDerWaalsContact O-OD1 3.14Å
576	D	95.9	Very high	95.7	Very high	130 Å²	130	55.9 Å²	55.9	70%	0.695	29%	0.286	S	S	*	.	H	α-helix	trans	-51.7	-26.7	175.1	-63.5	16.7	0	0	0	113.6	A574 T580	A574-D576 PolarHBondContact O-N 3.32Å; D576-T580 WeakPolarHBondContact O-CB 3.47Å; D576-T580 PolarHBondContact O-N 3.19Å; D576-T580 PolarHBondContact O-OG1 3.32Å
577	I	97.9	Very high	95.7	Very high	17 Å²	17	59.4 Å²	59.4	9%	0.087	30%	0.3	C	S	.	.	H	α-helix	trans	-80.5	-35	-179.9	-53.4	-178	0	0	0	110.9	W284 T505 W563 A574 Q575 L581	W284-I577 HydrophobicContact CD2-CD1 4.17Å; W284-I577 HydrophobicContact CG-CD1 4.44Å; W284-I577 HydrophobicContact CG-CG1 4.48Å; W284-I577 HydrophobicContact CZ2-CG2 4.32Å; T505-I577 HydrophobicContact CG2-CG2 3.87Å; T505-I577 VanDerWaalsContact OG1-CG2 3.27Å; T505-I577 WeakPolarHBondContact OG1-CG2 3.21Å; W563-I577 HydrophobicContact CD2-CG2 4.21Å; W563-I577 HydrophobicContact CE3-CG2 3.76Å; W563-I577 HydrophobicContact CH2-CG2 4.08Å; W563-I577 HydrophobicContact CZ2-CG2 4.48Å; W563-I577 HydrophobicContact CZ3-CD1 4.08Å; W563-I577 HydrophobicContact CZ3-CG2 3.71Å; A574-I577 HydrophobicContact CB-CD1 4.4Å; A574-I577 VanDerWaalsContact O-CB 3.29Å; A574-I577 WeakPolarHBondContact O-CB 3.4Å; A574-I577 PolarHBondContact O-N 3.38Å; Q575-I577 PolarHBondContact O-N 3.42Å; I577-L581 WeakPolarHBondContact O-CB 2.73Å; I577-L581 PolarHBondContact O-N 3Å
578	L	97.3	Very high	95.8	Very high	18 Å²	18	59.5 Å²	59.5	9%	0.094	30%	0.298	C	S	.	.	H	α-helix	trans	-70.9	-48.1	170.5	-71.9	-179.1	0	0	0	111.5	W563 A567 A574 Q575 T580 L581 E582	W563-L578 HydrophobicContact CB-CD2 3.91Å; A567-L578 HydrophobicContact CB-CD1 3.6Å; A567-L578 HydrophobicContact CB-CG 4.09Å; A574-L578 PolarHBondContact O-N 2.99Å; Q575-L578 WeakPolarHBondContact O-CA 3.41Å; Q575-L578 WeakPolarHBondContact O-CB 3.42Å; Q575-L578 PolarHBondContact O-N 3.27Å; L578-T580 PolarHBondContact O-N 2.95Å; L578-L581 CarbonylContact O-C 3.58Å; L578-L581 WeakPolarHBondContact O-CA 3.49Å; L578-L581 VanDerWaalsContact O-CB 3.27Å; L578-L581 WeakPolarHBondContact O-CB 3.27Å; L578-L581 PolarHBondContact O-N 2.68Å; L578-E582 PolarHBondContact O-N 3.01Å
579	D	97.5	Very high	96	Very high	80 Å²	80	59.7 Å²	59.7	43%	0.428	30%	0.296	S	S	.	.	H	α-helix	trans	-55.6	-42.4	178.5	-63.2	12.2	0	0	0	110.5	Q575 L581 E582 D583	Q575-D579 PolarHBondContact NE2-OD1 2.81Å; Q575-D579 PolarHBondContact O-N 3.3Å; Q575-D579 VanDerWaalsContact O-OD1 3.14Å; D579-L581 VanDerWaalsContact C-N 3.35Å; D579-L581 PolarHBondContact O-N 3.35Å; D579-E582 PolarHBondContact O-N 2.98Å; D579-D583 WeakPolarHBondContact O-CB 3.45Å; D579-D583 PolarHBondContact O-N 2.92Å
580	T	98.4	Very high	96.2	Very high	40 Å²	40	63.8 Å²	63.8	25%	0.245	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-32.6	174.6	-58.2	0	0	0	0	113	T505 D576 L578 N584	T505-T580 WeakPolarHBondContact O-CG2 3.28Å; D576-T580 WeakPolarHBondContact O-CB 3.47Å; D576-T580 PolarHBondContact O-N 3.19Å; D576-T580 PolarHBondContact O-OG1 3.32Å; L578-T580 PolarHBondContact O-N 2.95Å; T580-N584 VanDerWaalsContact O-CB 3.27Å; T580-N584 WeakPolarHBondContact O-CB 3.24Å; T580-N584 PolarHBondContact O-N 2.98Å; T580-N584 VanDerWaalsContact O-N 3.1Å; T580-N584 PolarHBondContact O-ND2 2.75Å
581	L	98.5	Very high	96.2	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-70	-43.4	176.9	-178.5	56.7	0	0	0	111.4	P504 T505 I555 V559 H560 W563 I577 L578 D579 N584 R585	P504-L581 HydrophobicContact CB-CD1 3.56Å; P504-L581 WeakPolarHBondContact O-CD1 3.4Å; T505-L581 HydrophobicContact CG2-CB 4.07Å; T505-L581 HydrophobicContact CG2-CD1 4.08Å; T505-L581 HydrophobicContact CG2-CD2 4.12Å; T505-L581 HydrophobicContact CG2-CG 4.32Å; I555-L581 HydrophobicContact CB-CD1 4.45Å; I555-L581 HydrophobicContact CD1-CD1 4.06Å; I555-L581 HydrophobicContact CG1-CD1 3.96Å; I555-L581 HydrophobicContact CG2-CD1 3.66Å; I555-L581 HydrophobicContact CG2-CD2 4.32Å; I555-L581 HydrophobicContact CG2-CG 3.92Å; V559-L581 HydrophobicContact CG1-CD1 4.18Å; V559-L581 HydrophobicContact CG1-CD2 4.24Å; H560-L581 HydrophobicContact CB-CD2 4.13Å; W563-L581 HydrophobicContact CB-CD2 4.21Å; I577-L581 WeakPolarHBondContact O-CB 2.73Å; I577-L581 PolarHBondContact O-N 3Å; L578-L581 CarbonylContact O-C 3.58Å; L578-L581 WeakPolarHBondContact O-CA 3.49Å; L578-L581 VanDerWaalsContact O-CB 3.27Å; L578-L581 WeakPolarHBondContact O-CB 3.27Å; L578-L581 PolarHBondContact O-N 2.68Å; D579-L581 VanDerWaalsContact C-N 3.35Å; D579-L581 PolarHBondContact O-N 3.35Å; L581-N584 PolarHBondContact O-N 3.26Å; L581-R585 VanDerWaalsContact O-CB 3.22Å; L581-R585 WeakPolarHBondContact O-CB 3.49Å; L581-R585 PolarHBondContact O-N 3.39Å
582	E	97.9	Very high	96.3	Very high	101 Å²	101	61.7 Å²	61.7	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-51	175.3	-69.2	-176.9	-157.9	0	0	111	L578 D579 N584 R585 E586	L578-E582 PolarHBondContact O-N 3.01Å; D579-E582 PolarHBondContact O-N 2.98Å; E582-N584 VanDerWaalsContact C-N 3.31Å; E582-N584 PolarHBondContact O-N 3.11Å; E582-R585 WeakPolarHBondContact O-CB 3.37Å; E582-R585 PolarHBondContact O-N 2.92Å; E582-E586 PolarHBondContact O-N 2.9Å
583	D	98.4	Very high	95.9	Very high	121 Å²	121	61.9 Å²	61.9	65%	0.647	32%	0.321	S	S	*	.	H	α-helix	trans	-51.3	-47.7	174.1	-104.4	-1.4	0	0	0	111.9	D579 W587	D579-D583 WeakPolarHBondContact O-CB 3.45Å; D579-D583 PolarHBondContact O-N 2.92Å; D583-W587 WeakPolarHBondContact O-CB 3.42Å; D583-W587 PolarHBondContact O-N 3.46Å
584	N	98.5	Very high	95.1	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.027	35%	0.347	C	S	.	.	H	α-helix	trans	-67.4	-35.9	179	-81.7	-27.1	0	0	0	112.5	P504 K506 L508 Y511 T580 L581 E582 W587 Y588	P504-N584 PolarHBondContact O-ND2 3.19Å; K506-N584 PolarHBondContact O-ND2 3.38Å; L508-N584 WeakPolarHBondContact CA-OD1 3.24Å; L508-N584 VanDerWaalsContact CB-OD1 3.28Å; L508-N584 WeakPolarHBondContact CB-OD1 3.46Å; L508-N584 WeakPolarHBondContact CD1-OD1 3.46Å; Y511-N584 HydrophobicContact CD1-CB 3.83Å; Y511-N584 HydrophobicContact CE1-CB 4.01Å; T580-N584 VanDerWaalsContact O-CB 3.27Å; T580-N584 WeakPolarHBondContact O-CB 3.24Å; T580-N584 PolarHBondContact O-N 2.98Å; T580-N584 VanDerWaalsContact O-N 3.1Å; T580-N584 PolarHBondContact O-ND2 2.75Å; L581-N584 PolarHBondContact O-N 3.26Å; E582-N584 VanDerWaalsContact C-N 3.31Å; E582-N584 PolarHBondContact O-N 3.11Å; N584-W587 PolarHBondContact O-N 2.94Å; N584-Y588 WeakPolarHBondContact O-CD2 3.49Å; N584-Y588 PolarHBondContact O-N 3.35Å
585	R	98.1	Very high	93.5	Very high	72 Å²	72	72.2 Å²	72.2	27%	0.272	38%	0.377	S	S	.	.	H	α-helix	trans	-69.8	-45.3	178.2	-172.6	-89.7	-180	-157.7	-4.5	111	I555 D556 L581 E582 W587 Y588 Q589	I555-R585 HydrophobicContact CB-CB 4.48Å; I555-R585 HydrophobicContact CB-CG 4.06Å; I555-R585 HydrophobicContact CD1-CB 3.76Å; I555-R585 HydrophobicContact CD1-CG 4.09Å; I555-R585 HydrophobicContact CG2-CB 4Å; I555-R585 HydrophobicContact CG2-CG 3.76Å; D556-R585 IonicContact OD1-CZ 3.46Å; D556-R585 IonicContact OD1-NE 3.92Å; D556-R585 PolarHBondContact OD1-NE 2.88Å; D556-R585 IonicContact OD1-NH2 3.6Å; D556-R585 PolarHBondContact OD1-NH2 3.13Å; D556-R585 IonicContact OD2-CZ 2.63Å; D556-R585 IonicContact OD2-NE 2.74Å; D556-R585 IonicContact OD2-NH2 3.27Å; D556-R585 PolarHBondContact OD2-NH2 3.28Å; L581-R585 VanDerWaalsContact O-CB 3.22Å; L581-R585 WeakPolarHBondContact O-CB 3.49Å; L581-R585 PolarHBondContact O-N 3.39Å; E582-R585 WeakPolarHBondContact O-CB 3.37Å; E582-R585 PolarHBondContact O-N 2.92Å; R585-W587 VanDerWaalsContact C-N 3.33Å; R585-Y588 PolarHBondContact O-N 3.06Å; R585-Q589 WeakPolarHBondContact O-CB 3.38Å; R585-Q589 PolarHBondContact O-N 3.18Å
586	E	97.9	Very high	91.5	Very high	133 Å²	133	74.3 Å²	74.3	62%	0.621	40%	0.398	S	S	*	.	H	α-helix	trans	-60.9	-42	172	-70.4	-147.6	151.1	0	0	111.5	E582 Y588 Q589 S590	E582-E586 PolarHBondContact O-N 2.9Å; E586-Y588 PolarHBondContact O-N 3.39Å; E586-Q589 PolarHBondContact O-N 3.05Å; E586-S590 WeakPolarHBondContact O-CB 3.23Å; E586-S590 PolarHBondContact O-N 3Å
587	W	98	Very high	89.1	Confident	76 Å²	76	73 Å²	73	29%	0.288	40%	0.399	S	S	.	.	H	α-helix	trans	-58.7	-49	176.5	-172.5	85.1	0	0	0	111.7	L508 R512 D583 N584 R585 S590 T591	L508-W587 HydrophobicContact CD1-CB 4.4Å; L508-W587 HydrophobicContact CD1-CD2 3.8Å; L508-W587 HydrophobicContact CD1-CE3 3.68Å; L508-W587 HydrophobicContact CD1-CG 4.1Å; L508-W587 HydrophobicContact CD1-CZ3 4.32Å; L508-W587 HydrophobicContact CD2-CB 4.4Å; L508-W587 HydrophobicContact CD2-CD2 3.77Å; L508-W587 HydrophobicContact CD2-CE3 4.46Å; L508-W587 HydrophobicContact CD2-CG 3.68Å; L508-W587 HydrophobicContact CG-CD2 4.39Å; R512-W587 HydrophobicContact CG-CH2 4.38Å; R512-W587 HydrophobicContact CG-CZ3 4.12Å; D583-W587 WeakPolarHBondContact O-CB 3.42Å; D583-W587 PolarHBondContact O-N 3.46Å; N584-W587 PolarHBondContact O-N 2.94Å; R585-W587 VanDerWaalsContact C-N 3.33Å; W587-S590 PolarHBondContact O-N 3.29Å; W587-S590 PolarHBondContact O-OG 3.14Å; W587-T591 HydrophobicContact CD2-CG2 4.22Å; W587-T591 HydrophobicContact CE3-CG2 4.34Å; W587-T591 HydrophobicContact CH2-CG2 3.9Å; W587-T591 HydrophobicContact CZ2-CG2 3.76Å; W587-T591 HydrophobicContact CZ3-CG2 4.19Å; W587-T591 WeakPolarHBondContact O-CG2 3.3Å; W587-T591 PolarHBondContact O-N 3.24Å; W587-T591 PolarHBondContact O-OG1 2.94Å
588	Y	97	Very high	86.8	Confident	11 Å²	11	78 Å²	78	4%	0.043	43%	0.433	C	S	.	.	H	α-helix	trans	-63.6	-42.2	176.3	-89.8	-68.1	0	0	0	112.4	Y511 T515 E548 Q551 N584 R585 E586 S590 T591 I592	Y511-Y588 HydrophobicContact CD1-CD2 4.32Å; Y511-Y588 AromaticContact CD1-CE2 3.77Å; Y511-Y588 HydrophobicContact CD1-CE2 3.77Å; Y511-Y588 AromaticContact CE1-CD2 3.63Å; Y511-Y588 HydrophobicContact CE1-CD2 3.63Å; Y511-Y588 AromaticContact CE1-CE2 3.35Å; Y511-Y588 HydrophobicContact CE1-CE2 3.35Å; Y511-Y588 HydrophobicContact CE2-CE2 4.42Å; Y511-Y588 HydrophobicContact CG-CE2 4.48Å; Y511-Y588 AromaticContact CZ-CE2 3.71Å; T515-Y588 VanDerWaalsContact CB-OH 3.26Å; T515-Y588 WeakPolarHBondContact CB-OH 3.38Å; T515-Y588 WeakPolarHBondContact CG2-OH 3.43Å; T515-Y588 PolarHBondContact OG1-OH 2.82Å; E548-Y588 HydrophobicContact CB-CD1 4.39Å; Q551-Y588 HydrophobicContact CB-CD1 3.98Å; Q551-Y588 HydrophobicContact CB-CD2 3.94Å; Q551-Y588 HydrophobicContact CB-CE1 4.27Å; Q551-Y588 HydrophobicContact CB-CE2 4.22Å; Q551-Y588 HydrophobicContact CB-CG 3.8Å; Q551-Y588 HydrophobicContact CG-CD1 4.11Å; Q551-Y588 HydrophobicContact CG-CD2 4.32Å; Q551-Y588 HydrophobicContact CG-CE1 3.88Å; Q551-Y588 HydrophobicContact CG-CE2 4.1Å; Q551-Y588 HydrophobicContact CG-CG 4.31Å; N584-Y588 WeakPolarHBondContact O-CD2 3.49Å; N584-Y588 PolarHBondContact O-N 3.35Å; R585-Y588 PolarHBondContact O-N 3.06Å; E586-Y588 PolarHBondContact O-N 3.39Å; Y588-S590 VanDerWaalsContact C-N 3.29Å; Y588-S590 PolarHBondContact O-N 3.45Å; Y588-T591 PolarHBondContact O-N 2.87Å; Y588-T591 VanDerWaalsContact O-N 3.13Å; Y588-T591 PolarHBondContact O-OG1 3.42Å; Y588-I592 PolarHBondContact O-N 3.06Å
589	Q	96.1	Very high	84.5	Confident	90 Å²	90	81.5 Å²	81.5	42%	0.421	46%	0.464	S	S	.	.	H	α-helix	trans	-57.5	-40.8	174	179.1	63.6	24.7	0	0	112.1	V552 R585 E586 T591 I592	V552-Q589 HydrophobicContact CG2-CB 3.96Å; R585-Q589 WeakPolarHBondContact O-CB 3.38Å; R585-Q589 PolarHBondContact O-N 3.18Å; E586-Q589 PolarHBondContact O-N 3.05Å; Q589-T591 VanDerWaalsContact C-N 3.29Å; Q589-T591 PolarHBondContact O-N 3.21Å; Q589-I592 PolarHBondContact O-N 2.95Å
590	S	96	Very high	82.2	Confident	91 Å²	91	85.6 Å²	85.6	64%	0.636	49%	0.485	S	S	*	.	H	α-helix	trans	-69.8	-21.8	179	80.3	0	0	0	0	114.2	E586 W587 Y588	E586-S590 WeakPolarHBondContact O-CB 3.23Å; E586-S590 PolarHBondContact O-N 3Å; W587-S590 PolarHBondContact O-N 3.29Å; W587-S590 PolarHBondContact O-OG 3.14Å; Y588-S590 VanDerWaalsContact C-N 3.29Å; Y588-S590 PolarHBondContact O-N 3.45Å
591	T	93.9	Very high	79.6	Confident	52 Å²	52	91.5 Å²	91.5	32%	0.319	52%	0.515	S	S	.	.	H	α-helix	trans	-93.2	-8.9	-179.7	55.1	0	0	0	0	113.9	W587 Y588 Q589 P593	W587-T591 HydrophobicContact CD2-CG2 4.22Å; W587-T591 HydrophobicContact CE3-CG2 4.34Å; W587-T591 HydrophobicContact CH2-CG2 3.9Å; W587-T591 HydrophobicContact CZ2-CG2 3.76Å; W587-T591 HydrophobicContact CZ3-CG2 4.19Å; W587-T591 WeakPolarHBondContact O-CG2 3.3Å; W587-T591 PolarHBondContact O-N 3.24Å; W587-T591 PolarHBondContact O-OG1 2.94Å; Y588-T591 PolarHBondContact O-N 2.87Å; Y588-T591 VanDerWaalsContact O-N 3.13Å; Y588-T591 PolarHBondContact O-OG1 3.42Å; Q589-T591 VanDerWaalsContact C-N 3.29Å; Q589-T591 PolarHBondContact O-N 3.21Å; T591-P593 WeakPolarHBondContact O-CD 3.49Å
592	I	91.2	Very high	77.3	Confident	31 Å²	31	99.9 Å²	99.9	16%	0.159	56%	0.555	C	S	.	*	S	Bend	trans	-54.7	123	173.4	-66.4	168.5	0	0	0	109.3	E548 K549 V552 Y588 Q589 Q594	E548-I592 HydrophobicContact CB-CB 4.5Å; E548-I592 HydrophobicContact CB-CG1 3.7Å; K549-I592 HydrophobicContact CD-CG2 4.38Å; K549-I592 VanDerWaalsContact CE-CG2 3.45Å; K549-I592 HydrophobicContact CG-CD1 3.89Å; K549-I592 HydrophobicContact CG-CG1 3.98Å; K549-I592 HydrophobicContact CG-CG2 3.99Å; V552-I592 HydrophobicContact CG2-CD1 4.28Å; Y588-I592 PolarHBondContact O-N 3.06Å; Q589-I592 PolarHBondContact O-N 2.95Å; I592-Q594 PolarHBondContact O-N 3.37Å; I592-Q594 VanDerWaalsContact O-N 3.15Å
593	P	84.4	Confident	74.7	Confident	87 Å²	87	101.1 Å²	101.1	57%	0.565	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-58.6	121.7	176.6	-25.7	35	0	0	0	111	T591 S595	T591-P593 WeakPolarHBondContact O-CD 3.49Å; P593-S595 PolarHBondContact O-N 2.9Å
594	Q	74.1	Confident	72	Confident	187 Å²	187	104.4 Å²	104.4	87%	0.874	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-60.2	123.9	172	-70.5	-171.6	-7.5	0	0	109.1	I592	I592-Q594 PolarHBondContact O-N 3.37Å; I592-Q594 VanDerWaalsContact O-N 3.15Å
595	S	62.1	Low	69.3	Low	92 Å²	92	112 Å²	112	64%	0.643	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-51.3	135.7	168.6	-57	0	0	0	0	108.9	P593 S597	P593-S595 PolarHBondContact O-N 2.9Å; S595-S597 PolarHBondContact O-N 3.33Å
596	P	53.2	Low	66.8	Low	127 Å²	127	111.1 Å²	111.1	83%	0.825	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-57.3	122.1	170.4	25.4	-32.8	0	0	0	107.7
597	S	44.4	Very low	64.3	Low	102 Å²	102	111.2 Å²	111.2	71%	0.713	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-52.5	144.3	177.4	-48.9	0	0	0	0	109.4	S595 A599	S595-S597 PolarHBondContact O-N 3.33Å; S597-A599 PolarHBondContact O-N 3.35Å; S597-A599 VanDerWaalsContact O-N 3.15Å
598	P	50.5	Low	61.2	Low	122 Å²	122	119 Å²	119	79%	0.792	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-52.1	128.6	170.5	24.2	-33.3	0	0	0	107.9	L600	P598-L600 PolarHBondContact O-N 3.01Å
599	A	47.4	Very low	58.4	Low	92 Å²	92	124 Å²	124	76%	0.76	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-58.1	128	-176.8	0	0	0	0	0	108.6	S597 D601	S597-A599 PolarHBondContact O-N 3.35Å; S597-A599 VanDerWaalsContact O-N 3.15Å; A599-D601 PolarHBondContact O-N 2.85Å
600	L	50.3	Low	55.5	Low	165 Å²	165	126.1 Å²	126.1	86%	0.864	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-54.4	131.6	170.5	-64.9	171.8	0	0	0	108	P598 E602	P598-L600 PolarHBondContact O-N 3.01Å; L600-E602 PolarHBondContact O-N 2.75Å
601	D	44.2	Very low	52.9	Low	165 Å²	165	125.8 Å²	125.8	88%	0.882	74%	0.742	S	S	*	*			trans	-61.3	95.9	-176.5	-67.9	-68.2	0	0	0	111.2	A599	A599-D601 PolarHBondContact O-N 2.85Å
602	E	48.8	Very low	49.9	Very low	176 Å²	176	127.9 Å²	127.9	82%	0.822	77%	0.765	S	S	*	*			trans	-65.1	130.4	157.8	-71.3	-160.3	151.4	0	0	107.6	L600 E604	L600-E602 PolarHBondContact O-N 2.75Å; E602-E604 PolarHBondContact O-N 2.78Å
603	P	44.2	Very low	47.1	Very low	126 Å²	126	133.7 Å²	133.7	82%	0.818	80%	0.796	S	S	*	*			trans	-69.8	99.5	-176.9	27.3	-34.1	0	0	0	110.5	D605	P603-D605 PolarHBondContact O-N 2.9Å
604	E	41.6	Very low	44.8	Very low	190 Å²	190	139.4 Å²	139.4	89%	0.888	81%	0.812	S	S	*	*			trans	-61	107.7	172.8	-84.2	-153.2	133.4	0	0	110.5	E602 G606	E602-E604 PolarHBondContact O-N 2.78Å; E604-G606 PolarHBondContact O-N 3.43Å; E604-G606 VanDerWaalsContact O-N 3.14Å
605	D	41.8	Very low	42.8	Very low	165 Å²	165	140.1 Å²	140.1	88%	0.882	81%	0.813	S	S	*	*			trans	-60.7	112.4	160.4	-175.5	22.8	0	0	0	108.4	P603	P603-D605 PolarHBondContact O-N 2.9Å
606	G	46.3	Very low	41.1	Very low	54 Å²	54	144.3 Å²	144.3	56%	0.557	82%	0.822	S	S	*	*			trans	-76.1	135.9	-157	0	0	0	0	0	114.1	E604	E604-G606 PolarHBondContact O-N 3.43Å; E604-G606 VanDerWaalsContact O-N 3.14Å
607	T	44.4	Very low	39.8	Very low	135 Å²	135	147.5 Å²	147.5	83%	0.828	82%	0.823	S	S	*	*			trans	-171.4	104.8	137.5	-72.4	0	0	0	0	110.9
608	R	33.4	Very low	38.9	Very low	240 Å²	240	150.4 Å²	150.4	91%	0.906	83%	0.826	S	S	*	*			trans	-158.3	153.6	153.6	-106.5	146.9	-162.2	-154	4	111.8
609	P	38.1	Very low	37.8	Very low	115 Å²	115	151.1 Å²	151.1	75%	0.747	82%	0.822	S	S	*	*			trans	-87.5	156.7	-166.6	34.8	-35.7	0	0	0	113.7
610	P	35.8	Very low	36.9	Very low	134 Å²	134	152.2 Å²	152.2	87%	0.87	82%	0.82	S	S	*	*			trans	-77.9	144.4	-179	32.4	-35.8	0	0	0	112.6
611	G	39.8	Very low	35.9	Very low	85 Å²	85	151.8 Å²	151.8	88%	0.876	82%	0.817	S	S	*	*			trans	156.3	52.6	172.4	0	0	0	0	0	117.2
612	A	30.9	Very low	35.1	Very low	95 Å²	95	153.1 Å²	153.1	79%	0.785	82%	0.818	S	S	*	*			trans	-158.8	122	161.6	0	0	0	0	0	109.8	K614	A612-K614 PolarHBondContact O-N 3.2Å
613	D	34.3	Very low	34.2	Very low	153 Å²	153	153.8 Å²	153.8	82%	0.818	82%	0.821	S	S	*	*			trans	-72.7	119.2	-179.1	-58.8	-61	0	0	0	111.1	F615	D613-F615 PolarHBondContact O-N 3.19Å
614	K	35.3	Very low	33.4	Very low	207 Å²	207	156 Å²	156	90%	0.9	83%	0.827	S	S	*	*			trans	-78.9	105.8	163.7	-78.2	-173.7	176.5	-178.7	0	108.3	A612 Q616	A612-K614 PolarHBondContact O-N 3.2Å; K614-Q616 PolarHBondContact O-N 3.43Å; K614-Q616 VanDerWaalsContact O-N 3.16Å
615	F	31.6	Very low	32.8	Very low	203 Å²	203	150.5 Å²	150.5	89%	0.89	82%	0.821	S	S	*	*			trans	-64.9	111	162.7	-83.9	-100.3	0	0	0	108.6	D613	D613-F615 PolarHBondContact O-N 3.19Å
616	Q	26.2	Very low	32.1	Very low	180 Å²	180	152.3 Å²	152.3	84%	0.841	82%	0.824	S	S	*	*			trans	-90.4	126	174.9	-174	166.5	-14.7	0	0	108.6	K614	K614-Q616 PolarHBondContact O-N 3.43Å; K614-Q616 VanDerWaalsContact O-N 3.16Å
617	F	26.1	Very low	31.1	Very low	193 Å²	193	155.5 Å²	155.5	85%	0.846	84%	0.837	S	S	*	*			trans	-97.6	110.7	176.6	-152	-85.4	0	0	0	107.6
618	E	25.3	Very low	30.3	Very low	164 Å²	164	156.6 Å²	156.6	77%	0.766	84%	0.838	S	S	*	*			trans	-96.5	111.7	-178.1	-172.5	163.7	-140.8	0	0	108.8	T620	E618-T620 HydrophobicContact CG-CG2 4.46Å
619	L	28.4	Very low	30.2	Very low	136 Å²	136	152.1 Å²	152.1	71%	0.712	84%	0.838	S	S	*	*			trans	-116.8	96.4	174	-165.2	80	0	0	0	107.8	L621	L619-L621 PolarHBondContact O-N 2.92Å
620	T	27.3	Very low	29.7	Very low	116 Å²	116	153.7 Å²	153.7	71%	0.712	84%	0.835	S	S	*	*			trans	-69.4	109.1	176.5	48.9	0	0	0	0	110	E618	E618-T620 HydrophobicContact CG-CG2 4.46Å
621	L	29.2	Very low	29.5	Very low	156 Å²	156	155.8 Å²	155.8	82%	0.817	83%	0.831	S	S	*	*			trans	-116.8	114.9	157.4	-76.9	169.8	0	0	0	106.8	L619	L619-L621 PolarHBondContact O-N 2.92Å
622	E	28.4	Very low	28.8	Very low	193 Å²	193	158.2 Å²	158.2	90%	0.902	82%	0.824	S	S	*	*			trans	-87.7	125	172	-63.2	173.2	156.8	0	0	107
623	E	29.6	Very low	28.6	Very low	189 Å²	189	158.9 Å²	158.9	88%	0.883	82%	0.822	S	S	*	*			trans	-139	123.1	175	-170.7	167.3	-137.6	0	0	108.3
624	D	27.8	Very low	28.2	Very low	174 Å²	174	154.9 Å²	154.9	93%	0.93	82%	0.818	S	S	*	*			trans	-73.2	133.7	-176.7	-69.4	-62.8	0	0	0	111.4
625	G	28.2	Very low	27.9	Very low	74 Å²	74	150.5 Å²	150.5	76%	0.763	81%	0.813	S	S	*	*			trans	-166.9	102.3	179.7	0	0	0	0	0	113.7
626	E	28.1	Very low	27.6	Very low	202 Å²	202	149.8 Å²	149.8	94%	0.944	81%	0.812	S	S	*	*			trans	-68.4	140.9	-177.8	-57.6	176.3	135.9	0	0	113.2
627	S	25.8	Very low	28.4	Very low	121 Å²	121	145.4 Å²	145.4	85%	0.846	80%	0.8	S	S	*	*			trans	-156.2	133.6	149.7	52.4	0	0	0	0	112.7
628	D	27.5	Very low	28.6	Very low	158 Å²	158	144 Å²	144	85%	0.845	80%	0.796	S	S	*	*			trans	-71.6	144.4	177.9	-93.4	-50	0	0	0	113.2
629	T	29.8	Very low	28.9	Very low	147 Å²	147	144.2 Å²	144.2	90%	0.902	80%	0.797	S	S	*	*				-162.7	143.8	128.9	3.8	0	0	0	0	113.2
630	E	28.8	Very low	28.9	Very low	148 Å²	148	146.1 Å²	146.1	69%	0.692	80%	0.802	S	S	*	*			trans	-80.4	168.7	-175.9	-48	176	120	0	0	115.1
631	K	30.7	Very low	29.1	Very low	177 Å²	177	149.4 Å²	149.4	77%	0.77	81%	0.809	S	S	*	*			trans	94	146.9	153.3	-67	153.4	-172.1	132.3	0	118.2
632	D	25.3	Very low	29.1	Very low	137 Å²	137	151 Å²	151	73%	0.733	81%	0.812	S	S	*	*			cis	-167.9	149.1	-17.9	178	26.3	0	0	0	109.6
633	S	27.1	Very low	29.1	Very low	108 Å²	108	150 Å²	150	76%	0.755	81%	0.808	S	S	*	*			trans	44.1	131.2	156.8	-70.2	0	0	0	0	122.9
634	G	26.2	Very low	29.2	Very low	70 Å²	70	149.5 Å²	149.5	72%	0.722	81%	0.806	S	S	*	*			trans	154.2	79.7	137.2	0	0	0	0	0	121.6
635	S	28.5	Very low	29.3	Very low	115 Å²	115	150.6 Å²	150.6	80%	0.804	81%	0.805	S	S	*	*			trans	43.2	102	141.9	57.7	0	0	0	0	122.4
636	Q	24.6	Very low	29.4	Very low	187 Å²	187	155.7 Å²	155.7	87%	0.874	81%	0.809	S	S	*	*				8.3	167.4	104.6	-104	-174.2	-20.6	0	0	120.8
637	P	44.6	Very low	29.5	Very low	89 Å²	89	154.5 Å²	154.5	58%	0.578	80%	0.804	S	S	*	*			cis	-138.8	-138.4	-1	39.1	-15.3	0	0	0	114.1
638	E	30.3	Very low	29.7	Very low	163 Å²	163	157.6 Å²	157.6	76%	0.762	81%	0.805	S	S	*	*			trans	75.2	136.8	174.2	-66.9	138.5	-127	0	0	115.1
639	E	31	Very low	29.8	Very low	169 Å²	169	158 Å²	158	79%	0.79	80%	0.801	S	S	*	*			cis	-162.3	164.7	-5.7	-88.8	170.1	162.4	0	0	106
640	E	29.1	Very low	29.6	Very low	175 Å²	175	159.2 Å²	159.2	82%	0.818	80%	0.797	S	S	*	*			cis	-165.1	-175.4	-44.1	-106	164.2	-138.9	0	0	109.4
641	E	29.7	Very low	29.4	Very low	185 Å²	185	159.2 Å²	159.2	86%	0.864	80%	0.802	S	S	*	*			trans	75.5	117.9	-179.1	-54.4	-179.5	-179.9	0	0	117.5
642	E	29.8	Very low	29.1	Very low	189 Å²	189	155.3 Å²	155.3	88%	0.883	80%	0.797	S	S	*	*			cis	93.1	144.2	40.4	-64.9	-179.8	172.8	0	0	113.6
643	E	29.7	Very low	29	Very low	172 Å²	172	153.5 Å²	153.5	80%	0.804	79%	0.793	S	S	*	*			cis	-139.4	146.9	27	-60.2	168.9	142.9	0	0	114.6
644	E	31.1	Very low	28.8	Very low	180 Å²	180	154.3 Å²	154.3	84%	0.841	79%	0.794	S	S	*	*				51.9	151.9	126.6	-54.9	-169.2	157.2	0	0	123
645	E	30.3	Very low	28.8	Very low	197 Å²	197	157.2 Å²	157.2	92%	0.921	79%	0.793	S	S	*	*				-129.1	-109.8	52.9	-59.6	174.2	123.3	0	0	117.5
646	E	30.2	Very low	28.9	Very low	180 Å²	180	155.2 Å²	155.2	84%	0.841	78%	0.779	S	S	*	*			trans	-128.2	160.2	-159.3	-70.1	174.8	157.2	0	0	111.7
647	E	30.1	Very low	29.2	Very low	178 Å²	178	154 Å²	154	83%	0.832	77%	0.771	S	S	*	*			cis	-154.1	172.9	-13.9	-95.5	-176	143.4	0	0	105.3
648	E	29.8	Very low	28.4	Very low	186 Å²	186	155 Å²	155	87%	0.869	78%	0.776	S	S	*	*			cis	-149.6	-161.9	11.8	-156	-172.9	178	0	0	108.7
649	E	29.1	Very low	28.2	Very low	166 Å²	166	154.2 Å²	154.2	78%	0.776	78%	0.776	S	S	*	*			trans	-97.2	158	-176.4	-62.3	-179.8	163.2	0	0	113.8
650	E	25.5	Very low	27.9	Very low	172 Å²	172	151.5 Å²	151.5	80%	0.804	77%	0.774	S	S	*	*			cis	65.8	123.6	48.5	-91.3	-154.3	-154.6	0	0	117.6
651	N	24.9	Very low	27.8	Very low	149 Å²	149	148.4 Å²	148.4	80%	0.797	77%	0.767	S	S	*	*				-162.1	161.8	120	-125.4	-75.9	0	0	0	114.6
652	S	24.1	Very low	27.8	Very low	95 Å²	95	147 Å²	147	66%	0.664	76%	0.76	S	S	*	*			trans	-120.6	-169.9	-162.4	-169.8	0	0	0	0	113.6
653	C	22.7	Very low	27.7	Very low	98 Å²	98	143.9 Å²	143.9	66%	0.662	75%	0.75	S	S	*	*			trans	86	108	156.1	-88.7	0	0	0	0	121.4
654	T	24.5	Very low	27.8	Very low	126 Å²	126	139.9 Å²	139.9	77%	0.773	74%	0.741	S	S	*	*				44.8	147.6	113.9	64.7	0	0	0	0	119.9
655	D	25.8	Very low	27.8	Very low	131 Å²	131	139.8 Å²	139.8	70%	0.701	74%	0.741	S	S	*	*				-175.7	157.9	51.6	-178.1	15.6	0	0	0	111.6
656	S	30.4	Very low	27.8	Very low	73 Å²	73	135 Å²	135	51%	0.51	73%	0.729	S	S	.	*			trans	71.5	152.7	147.4	-82	0	0	0	0	119.9
657	K	30.4	Very low	27.6	Very low	162 Å²	162	131.7 Å²	131.7	70%	0.704	72%	0.721	S	S	*	*			cis	-166.3	141	2.5	-127	171.2	-168.7	87.7	0	115.8
658	T	28.5	Very low	27.6	Very low	110 Å²	110	131.7 Å²	131.7	68%	0.675	72%	0.721	S	S	*	*			trans	59.7	133.7	136.9	48.4	0	0	0	0	127
659	L	26.7	Very low	27.8	Very low	146 Å²	146	130.5 Å²	130.5	76%	0.764	72%	0.719	S	S	*	*				89.3	120.5	127	-75.7	166.1	0	0	0	123.8
660	C	23.6	Very low	28.5	Very low	111 Å²	111	127.7 Å²	127.7	75%	0.75	72%	0.715	S	S	*	*			trans	50	154.1	135.5	-64.2	0	0	0	0	121.5
661	T	28.1	Very low	28.8	Very low	110 Å²	110	126.4 Å²	126.4	68%	0.675	71%	0.713	S	S	*	*			cis	-139.1	149.6	27.6	51.6	0	0	0	0	112.5
662	Q	28.7	Very low	29	Very low	155 Å²	155	126.1 Å²	126.1	72%	0.724	71%	0.712	S	S	*	*				49.2	139	104.2	-48.1	-174.4	-99.8	0	0	116.6
663	D	26.7	Very low	29.3	Very low	124 Å²	124	130.6 Å²	130.6	66%	0.663	72%	0.722	S	S	*	*			cis	-143	147.6	14.9	-94.5	-53.2	0	0	0	113.1
664	S	33.8	Very low	29.6	Very low	89 Å²	89	134.8 Å²	134.8	62%	0.622	73%	0.732	S	S	*	*				43.6	127.3	123.1	-43	0	0	0	0	121
665	E	30.5	Very low	29.8	Very low	178 Å²	178	135.3 Å²	135.3	83%	0.832	74%	0.735	S	S	*	*				61.2	137.1	76.4	-93.6	-176.2	120.6	0	0	113.2
666	S	29.2	Very low	30	Very low	97 Å²	97	132.2 Å²	132.2	68%	0.678	73%	0.734	S	S	*	*			cis	-171.5	-178.2	32.5	-98	0	0	0	0	109.1
667	T	27.3	Very low	29.9	Very low	110 Å²	110	137.3 Å²	137.3	68%	0.675	75%	0.75	S	S	*	*			cis	-170.3	178.6	-25.7	-81.1	0	0	0	0	107
668	E	29.9	Very low	29.9	Very low	177 Å²	177	136.6 Å²	136.6	83%	0.827	75%	0.753	S	S	*	*			trans	-62.5	176	-169.7	-57.9	158.5	127.6	0	0	118.6
669	I	34.5	Very low	30	Very low	161 Å²	161	138 Å²	138	83%	0.826	76%	0.756	S	S	*	*			trans	-70.6	148.7	174	-30.4	173.8	0	0	0	110.4
670	P	43.3	Very low	30.3	Very low	107 Å²	107	137.7 Å²	137.7	70%	0.695	76%	0.756	S	S	*	*				-156.6	151.5	105.7	35.9	-15.9	0	0	0	119.2
671	L	30.8	Very low	30.8	Very low	145 Å²	145	138.6 Å²	138.6	76%	0.759	75%	0.753	S	S	*	*			trans	75.6	127.6	142.6	-67.2	164.4	0	0	0	125.2
672	D	29.7	Very low	31.1	Very low	144 Å²	144	139.6 Å²	139.6	77%	0.77	75%	0.754	S	S	*	*			trans	85.3	154.2	131.8	-71	-14.8	0	0	0	126.9
673	E	30.3	Very low	31.4	Very low	188 Å²	188	138.9 Å²	138.9	88%	0.879	76%	0.755	S	S	*	*			trans	79	89.8	168.3	-59.1	-155.6	137.6	0	0	123.1
674	Q	29.5	Very low	31.9	Very low	186 Å²	186	141.3 Å²	141.3	87%	0.869	76%	0.763	S	S	*	*			trans	15.7	158.4	134.4	-55.7	-175.6	-0.3	0	0	125.4
675	V	29.1	Very low	31.9	Very low	138 Å²	138	146.1 Å²	146.1	84%	0.836	78%	0.776	S	S	*	*			trans	102.3	132.8	150.3	-169.2	0	0	0	0	118.9
676	G	28.2	Very low	32	Very low	65 Å²	65	140.9 Å²	140.9	67%	0.67	77%	0.769	S	S	*	*			trans	101.8	114.9	170.9	0	0	0	0	0	112.8
677	E	29.1	Very low	32	Very low	181 Å²	181	144 Å²	144	85%	0.846	78%	0.778	S	S	*	*			cis	76.1	137	37.3	-61.8	-171.9	141	0	0	115.4
678	D	29.8	Very low	32.3	Very low	147 Å²	147	142.3 Å²	142.3	79%	0.786	78%	0.776	S	S	*	*			trans	64.9	150.7	172.8	-51.1	-7.5	0	0	0	118.2
679	D	30.5	Very low	32.5	Very low	138 Å²	138	142.3 Å²	142.3	74%	0.738	78%	0.775	S	S	*	*			cis	-171	176.8	-43.4	-117.5	-14.3	0	0	0	107.5
680	D	33.1	Very low	32.4	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	77%	0.774	S	S	*	*			trans	64.7	145.7	160	-61.3	-4.9	0	0	0	119.6
681	D	33.8	Very low	31.9	Very low	130 Å²	130	146.8 Å²	146.8	70%	0.695	78%	0.784	S	S	*	*			cis	-165.2	172.6	-21.4	-130.4	-19.5	0	0	0	113.3
682	D	35.3	Very low	31.8	Very low	130 Å²	130	143 Å²	143	70%	0.695	78%	0.78	S	S	*	*			trans	77.7	144.2	145.8	-81.7	-24.4	0	0	0	127.2
683	D	34.5	Very low	31.9	Very low	140 Å²	140	145.2 Å²	145.2	75%	0.749	79%	0.785	S	S	*	*			trans	67.5	137.9	153	-71	-15.5	0	0	0	123.9
684	E	36.9	Very low	32	Very low	175 Å²	175	142 Å²	142	82%	0.818	78%	0.779	S	S	*	*			cis	-164.4	-166.9	-31.4	-141.9	-154.4	174.7	0	0	110.4
685	E	34.1	Very low	33.4	Very low	191 Å²	191	138.5 Å²	138.5	89%	0.893	77%	0.772	S	S	*	*			trans	69.9	128.3	-179.8	-60.4	-167.1	172	0	0	118
686	G	32.1	Very low	33.2	Very low	67 Å²	67	137.8 Å²	137.8	69%	0.691	77%	0.772	S	S	*	*			cis	155.5	95.4	-11	0	0	0	0	0	116.1
687	N	31	Very low	33.3	Very low	162 Å²	162	140.1 Å²	140.1	87%	0.866	78%	0.778	S	S	*	*			trans	163.3	125.4	153	-91.3	-28.7	0	0	0	109.5
688	A	33.6	Very low	33.5	Very low	76 Å²	76	140 Å²	140	63%	0.628	78%	0.778	S	S	*	*				73.9	123.6	68.3	0	0	0	0	0	112.7
689	E	33.1	Very low	34.8	Very low	176 Å²	176	138 Å²	138	82%	0.822	77%	0.772	S	S	*	*			cis	-154.4	154.6	12.1	-110.7	157.6	-165.8	0	0	112.2
690	E	32.9	Very low	34.6	Very low	168 Å²	168	137 Å²	137	79%	0.785	78%	0.775	S	S	*	*			trans	43.9	117.3	154.7	-63.9	-177.7	169.2	0	0	120.8
691	E	31.7	Very low	34.6	Very low	195 Å²	195	134.7 Å²	134.7	91%	0.911	78%	0.775	S	S	*	*				78	147.9	72.1	-76.5	-169.8	-147.6	0	0	115.8
692	G	30.3	Very low	34.6	Very low	65 Å²	65	132.8 Å²	132.8	67%	0.67	78%	0.778	S	S	*	*			cis	178.7	145.7	-3.9	0	0	0	0	0	114.8
693	E	31.6	Very low	34.4	Very low	190 Å²	190	134.2 Å²	134.2	89%	0.888	79%	0.785	S	S	*	*			trans	44.2	124.2	150.9	-52.3	-159.6	144.5	0	0	126.4
694	T	32.2	Very low	34.5	Very low	122 Å²	122	135.7 Å²	135.7	75%	0.748	79%	0.788	S	S	*	*				-6.1	174.4	127.6	40	0	0	0	0	122.9
695	P	58	Low	34.4	Very low	111 Å²	111	137 Å²	137	72%	0.721	79%	0.794	S	S	*	*			cis	-139	-150.1	-27.1	37.8	-16	0	0	0	113.9
696	C	25.8	Very low	34.5	Very low	124 Å²	124	133.4 Å²	133.4	84%	0.838	79%	0.785	S	S	*	*			trans	77.2	152.6	170	-72.7	0	0	0	0	117.6
697	S	30.6	Very low	34.8	Very low	114 Å²	114	135 Å²	135	80%	0.797	79%	0.791	S	S	*	*			cis	-156.6	168.2	-3.2	54.7	0	0	0	0	113.2
698	E	33.1	Very low	35.1	Very low	179 Å²	179	135.4 Å²	135.4	84%	0.836	79%	0.788	S	S	*	*			trans	-70.2	178.5	164	-106.1	-172.3	-178.9	0	0	113.7
699	P	56.2	Low	35.2	Very low	103 Å²	103	138 Å²	138	67%	0.669	79%	0.791	S	S	*	*			cis	-137.2	-164.2	-17.2	30.9	-7.3	0	0	0	114.4
700	C	26.1	Very low	35.4	Very low	117 Å²	117	136 Å²	136	79%	0.791	78%	0.782	S	S	*	*			trans	112.3	110.4	149.8	-68.4	0	0	0	0	121.8
701	A	33.2	Very low	35.6	Very low	93 Å²	93	134.6 Å²	134.6	77%	0.769	77%	0.773	S	S	*	*				53.7	132.7	125.8	0	0	0	0	0	124.5
702	A	34.2	Very low	35.8	Very low	90 Å²	90	132.6 Å²	132.6	74%	0.744	76%	0.764	S	S	*	*			trans	56.7	144.3	144.9	0	0	0	0	0	119.2
703	D	31.9	Very low	36.1	Very low	161 Å²	161	133.4 Å²	133.4	86%	0.861	77%	0.772	S	S	*	*			cis	-151.2	-176	47.9	-105.6	-36.3	0	0	0	114.1
704	E	35.9	Very low	36.5	Very low	170 Å²	170	133.3 Å²	133.3	79%	0.794	77%	0.769	S	S	*	*			trans	-76.8	156.1	178.4	-50.7	177.2	138.4	0	0	114.4
705	E	35.1	Very low	36.9	Very low	202 Å²	202	132.7 Å²	132.7	94%	0.944	77%	0.769	S	S	*	*			trans	-141.4	155.3	141.2	-88.5	-148.5	149.8	0	0	111
706	V	35.8	Very low	37.3	Very low	117 Å²	117	132.6 Å²	132.6	71%	0.709	77%	0.768	S	S	*	*			trans	-123.1	147.7	-164.7	173.9	0	0	0	0	111	E708	V706-E708 HydrophobicContact CG1-CG 4.34Å
707	A	38.4	Very low	38.6	Very low	99 Å²	99	133.7 Å²	133.7	82%	0.818	77%	0.766	S	S	*	*			trans	-138.2	115.6	163.8	0	0	0	0	0	111.3
708	E	37.7	Very low	39.2	Very low	171 Å²	171	138.8 Å²	138.8	80%	0.799	79%	0.792	S	S	*	*			trans	-77.5	172.5	165.9	-58.9	-178.6	121.6	0	0	108.3	V706	V706-E708 HydrophobicContact CG1-CG 4.34Å
709	D	35.8	Very low	39.5	Very low	130 Å²	130	136.8 Å²	136.8	70%	0.695	79%	0.79	S	S	*	*			cis	-174.2	155.4	48.6	-145.5	-3.2	0	0	0	113.2
710	E	37.6	Very low	38.7	Very low	134 Å²	134	138.5 Å²	138.5	63%	0.626	80%	0.797	S	S	*	*			trans	54.7	150.2	154.5	-55.8	-143.7	138	0	0	122.4
711	K	35.7	Very low	39.4	Very low	140 Å²	140	139.7 Å²	139.7	61%	0.609	80%	0.797	S	S	*	*			cis	-160.9	157	-3.3	-124.5	-179.5	-175.1	131.7	0	114.8
712	E	36.7	Very low	39.7	Very low	153 Å²	153	142.5 Å²	142.5	72%	0.715	80%	0.799	S	S	*	*			trans	46	130.3	147.7	-79.1	-174.7	124.5	0	0	123.7	K714	E712-K714 IonicContact OE1-NZ 3.96Å
713	G	35.7	Very low	40.1	Very low	81 Å²	81	145.8 Å²	145.8	84%	0.835	80%	0.802	S	S	*	*			trans	-168.2	94.3	163.4	0	0	0	0	0	112.4
714	K	41.5	Very low	40.6	Very low	189 Å²	189	144.7 Å²	144.7	82%	0.822	80%	0.798	S	S	*	*			trans	-81.5	146.3	-167.1	-102.6	170.9	-178.8	138.8	0	115.9	E712	E712-K714 IonicContact OE1-NZ 3.96Å
715	S	40.8	Very low	41	Very low	109 Å²	109	142.9 Å²	142.9	76%	0.762	80%	0.798	S	S	*	*			trans	-60.8	167.2	158.5	-27.2	0	0	0	0	112.3
716	P	65.3	Low	41.4	Very low	108 Å²	108	138.4 Å²	138.4	70%	0.701	79%	0.787	S	S	*	*				-151.2	166.9	75.2	40.8	-21.6	0	0	0	118.2
717	D	52.4	Low	41.9	Very low	148 Å²	148	140.2 Å²	140.2	79%	0.791	79%	0.794	S	S	*	*			trans	42.1	111.7	146.4	-50.2	-12.8	0	0	0	121.4
718	T	45	Very low	42.2	Very low	220 Å²	220	143.9 Å²	143.9	100%	1.35	79%	0.791	S	S	*	*				-154.4	0	98.3	-12	0	0	0	0	112

Retrieved 718 of 718 residues in 750.3 ms (Link to these results)

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