A0A087YL91_POEFO Loading...

Mannosyltransferase

AlphaFold DB (A0A3B3UTE2), UniProt , Accession A0A087YL91, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 613 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	37.1	Very low	30.9	Very low	239 Å²	239	163.3 Å²	163.3	100%	1.177	84%	0.841	S	S	*	*				0	116.7	0	-45.1	-179.7	-145.3	0	0	105.5
2	A	27.6	Very low	30.7	Very low	103 Å²	103	171 Å²	171	85%	0.851	85%	0.851	S	S	*	*			cis	65.3	125.2	40.3	0	0	0	0	0	112
3	A	31.1	Very low	30.3	Very low	92 Å²	92	163.9 Å²	163.9	76%	0.76	85%	0.848	S	S	*	*			cis	-153.6	-165.6	-9.9	0	0	0	0	0	108.6
4	K	32.3	Very low	30	Very low	188 Å²	188	160.7 Å²	160.7	82%	0.817	85%	0.847	S	S	*	*			cis	-153.6	140.4	9.2	-118.2	158.3	-179.9	175.4	0	105.2
5	A	34.5	Very low	29.9	Very low	87 Å²	87	165 Å²	165	72%	0.719	85%	0.847	S	S	*	*				63.4	148.5	88.2	0	0	0	0	0	115.2
6	L	30.7	Very low	29.8	Very low	136 Å²	136	164.6 Å²	164.6	71%	0.712	84%	0.841	S	S	*	*			cis	-144.9	138.2	29.1	-104.4	96.2	0	0	0	111.4
7	R	30.7	Very low	29.7	Very low	202 Å²	202	162.8 Å²	162.8	76%	0.762	83%	0.833	S	S	*	*				72.4	146.2	95	-81.9	-169.4	177.3	175.2	0.6	117
8	Q	29.5	Very low	29.6	Very low	165 Å²	165	157.9 Å²	157.9	77%	0.771	82%	0.822	S	S	*	*			cis	-162.1	-179.8	-13.6	-136	169	-15.6	0	0	113
9	R	30.1	Very low	29.5	Very low	243 Å²	243	157.8 Å²	157.8	92%	0.917	82%	0.822	S	S	*	*			trans	-96.5	153.6	177.9	-69.7	167.6	159.2	166.8	-7.5	113.7
10	A	27.7	Very low	29.3	Very low	105 Å²	105	157.3 Å²	157.3	87%	0.868	82%	0.82	S	S	*	*			trans	-167.6	178.9	139.3	0	0	0	0	0	112.3
11	R	28.8	Very low	29.3	Very low	236 Å²	236	155.2 Å²	155.2	89%	0.891	81%	0.814	S	S	*	*				-167.1	122.3	-97.5	-176.8	-170.7	-161.4	-161.1	6.7	110.6
12	R	28.5	Very low	28.7	Very low	256 Å²	256	151.2 Å²	151.2	97%	0.966	80%	0.798	S	S	*	*			trans	45.5	134.7	164.5	-83.2	-173.5	171.8	178.5	-3.4	120.9
13	G	25.5	Very low	28.8	Very low	79 Å²	79	152.6 Å²	152.6	81%	0.814	80%	0.795	S	S	*	*			trans	-146.9	163.8	157.9	0	0	0	0	0	110.6
14	S	26.3	Very low	29	Very low	119 Å²	119	153.6 Å²	153.6	83%	0.832	79%	0.794	S	S	*	*			trans	-157.2	146.9	-172.9	-173	0	0	0	0	114.4
15	R	28.3	Very low	28.7	Very low	225 Å²	225	148.5 Å²	148.5	85%	0.849	79%	0.787	S	S	*	*			trans	-179.8	137.7	159.8	-96.5	154.9	-176.1	-169.1	-0.4	106.8
16	Q	27.7	Very low	28.3	Very low	159 Å²	159	153.6 Å²	153.6	74%	0.743	80%	0.796	S	S	*	*				62.7	134.3	58	-69.1	-169.1	-94.2	0	0	112.7
17	D	28	Very low	28.1	Very low	134 Å²	134	152.1 Å²	152.1	72%	0.717	80%	0.803	S	S	*	*			cis	-166.8	173.4	0.6	-93	-20.9	0	0	0	108.4
18	A	28.3	Very low	27.8	Very low	75 Å²	75	154 Å²	154	62%	0.62	81%	0.81	S	S	*	*			cis	-173.9	163.2	-26.2	0	0	0	0	0	109.7
19	N	28.2	Very low	28.4	Very low	155 Å²	155	151.5 Å²	151.5	83%	0.829	81%	0.808	S	S	*	*			trans	63.1	168.5	175.2	-60.3	-18.4	0	0	0	115.9
20	N	26.1	Very low	28.2	Very low	147 Å²	147	147 Å²	147	79%	0.786	81%	0.807	S	S	*	*			cis	-147	172.6	5.4	-149.5	-0.6	0	0	0	114.5
21	V	27.8	Very low	28.2	Very low	115 Å²	115	150.5 Å²	150.5	70%	0.697	80%	0.803	S	S	*	*			trans	-64.1	141.9	-177.3	171.1	0	0	0	0	115.8
22	N	25.7	Very low	28.2	Very low	155 Å²	155	148.8 Å²	148.8	83%	0.829	81%	0.805	S	S	*	*				-171.4	153.6	126.7	-106	-30.5	0	0	0	116.3
23	V	28.8	Very low	28.2	Very low	131 Å²	131	144.4 Å²	144.4	79%	0.794	80%	0.796	S	S	*	*			trans	-146.1	131.1	176.8	163.8	0	0	0	0	105.5
24	P	35.5	Very low	28.2	Very low	114 Å²	114	151 Å²	151	74%	0.74	80%	0.802	S	S	*	*				-158.8	171.7	103.6	42	-22.5	0	0	0	118.8
25	A	26.4	Very low	28.2	Very low	80 Å²	80	149.2 Å²	149.2	66%	0.661	80%	0.795	S	S	*	*			trans	72	114.6	142.2	0	0	0	0	0	122.7
26	E	26.7	Very low	28	Very low	195 Å²	195	145.1 Å²	145.1	91%	0.911	80%	0.795	S	S	*	*				44.5	116.3	123.3	-56.7	-174.4	122.2	0	0	122.1
27	A	26.3	Very low	28	Very low	104 Å²	104	144.8 Å²	144.8	86%	0.86	80%	0.798	S	S	*	*				-156.9	144.5	125.8	0	0	0	0	0	113
28	R	24.4	Very low	28	Very low	242 Å²	242	146.7 Å²	146.7	91%	0.913	80%	0.803	S	S	*	*			trans	-144.5	165.2	162.3	-91.7	-171	-179.5	-177.8	2.3	106.1
29	P	42.1	Very low	27.9	Very low	113 Å²	113	148.5 Å²	148.5	73%	0.734	81%	0.811	S	S	*	*			cis	-131.7	174.6	-32.8	39.3	-25.4	0	0	0	111.8
30	T	25.9	Very low	27.8	Very low	147 Å²	147	150.7 Å²	150.7	90%	0.902	81%	0.813	S	S	*	*			trans	-147.9	144.2	153.8	7.2	0	0	0	0	111.4
31	K	27.5	Very low	28	Very low	179 Å²	179	151.4 Å²	151.4	78%	0.778	82%	0.815	S	S	*	*			trans	-91.9	146.9	162.2	-78.8	-176.5	166.9	-163.9	0	108.5
32	E	27.9	Very low	27.9	Very low	201 Å²	201	150.4 Å²	150.4	94%	0.939	81%	0.81	S	S	*	*			trans	-148.3	147.9	138.2	-128.3	172.2	-142.8	0	0	109.1
33	E	28.3	Very low	28	Very low	164 Å²	164	151.6 Å²	151.6	77%	0.766	81%	0.81	S	S	*	*			trans	-102.8	135.2	-171.2	-67.9	174.9	147.7	0	0	111.3
34	K	26.8	Very low	27.9	Very low	217 Å²	217	151.5 Å²	151.5	94%	0.943	81%	0.81	S	S	*	*			trans	-149	146.9	152.4	-112.3	160	-171	169.9	0	110.1
35	A	25.1	Very low	27.5	Very low	82 Å²	82	156.9 Å²	156.9	68%	0.678	82%	0.815	S	S	*	*			trans	-96.4	163.3	-161.3	0	0	0	0	0	113.5
36	T	24.6	Very low	27.5	Very low	138 Å²	138	161.9 Å²	161.9	85%	0.847	83%	0.825	S	S	*	*			trans	59.9	131.5	165.3	47	0	0	0	0	115.8
37	D	27.2	Very low	27.5	Very low	152 Å²	152	160.4 Å²	160.4	81%	0.813	82%	0.818	S	S	*	*			cis	-144.6	-176	46.9	-146.2	-18.5	0	0	0	114.5
38	E	28.9	Very low	27.7	Very low	174 Å²	174	161.6 Å²	161.6	81%	0.813	82%	0.817	S	S	*	*			trans	-78.7	144.3	-168.6	-57.8	-169	130.8	0	0	116.4
39	S	25.8	Very low	28.2	Very low	114 Å²	114	157.2 Å²	157.2	80%	0.797	81%	0.81	S	S	*	*			trans	177.4	67.8	144.5	37.2	0	0	0	0	113.1	I41	S39-I41 PolarHBondContact O-N 2.62Å
40	K	25.7	Very low	27.7	Very low	200 Å²	200	156.4 Å²	156.4	87%	0.87	81%	0.807	S	S	*	*			trans	-80	76.8	-179.6	-115.5	-174.6	-176.2	178.1	0	113.5	T42	K40-T42 PolarHBondContact O-N 3.12Å
41	I	29.7	Very low	28	Very low	163 Å²	163	161.2 Å²	161.2	84%	0.836	81%	0.809	S	S	*	*			trans	-68.7	101.2	157.7	-59.6	179.4	0	0	0	107.2	S39	S39-I41 PolarHBondContact O-N 2.62Å
42	T	25.6	Very low	28.5	Very low	94 Å²	94	156.3 Å²	156.3	58%	0.577	81%	0.809	S	S	*	*			trans	-104.7	106.2	178.3	-51.3	0	0	0	0	108.9	K40 T44	K40-T42 PolarHBondContact O-N 3.12Å; T42-T44 PolarHBondContact O-N 2.88Å; T42-T44 VanDerWaalsContact O-N 3.14Å
43	E	28.3	Very low	29.2	Very low	180 Å²	180	149.5 Å²	149.5	84%	0.841	79%	0.793	S	S	*	*			trans	-64.9	111.3	168.9	-67.3	-171.8	128.3	0	0	109.4	R45	E43-R45 VanDerWaalsContact C-N 3.25Å; E43-R45 PolarHBondContact O-N 3.11Å
44	T	26.9	Very low	30.6	Very low	128 Å²	128	150.3 Å²	150.3	79%	0.785	80%	0.797	S	S	*	*			trans	-72.1	84.3	175.5	-50.5	0	0	0	0	110	T42 Q46	T42-T44 PolarHBondContact O-N 2.88Å; T42-T44 VanDerWaalsContact O-N 3.14Å; T44-Q46 PolarHBondContact O-N 2.88Å
45	R	27.3	Very low	32.7	Very low	227 Å²	227	141.3 Å²	141.3	86%	0.857	76%	0.76	S	S	*	*			trans	-46	105.7	171.8	178.7	178.9	179.1	172.9	-1.5	110.2	E43 E47	E43-R45 VanDerWaalsContact C-N 3.25Å; E43-R45 PolarHBondContact O-N 3.11Å; R45-E47 PolarHBondContact O-N 3.19Å
46	Q	27.3	Very low	35.6	Very low	186 Å²	186	145.7 Å²	145.7	87%	0.869	76%	0.759	S	S	*	*			trans	-66.4	114.6	176.2	-70.4	-177.2	-14.1	0	0	109.6	T44	T44-Q46 PolarHBondContact O-N 2.88Å
47	E	26.8	Very low	38.6	Very low	164 Å²	164	139.9 Å²	139.9	77%	0.766	73%	0.726	S	S	*	*			trans	-70	140.1	166.1	-65.4	-160.4	141.2	0	0	110	R45 I49	R45-E47 PolarHBondContact O-N 3.19Å; E47-I49 PolarHBondContact O-N 3.21Å
48	P	30.1	Very low	41.6	Very low	129 Å²	129	133.7 Å²	133.7	84%	0.838	69%	0.694	S	S	*	*			trans	-74.3	92.3	-178.1	30.2	-34.5	0	0	0	110.6	S50	P48-S50 PolarHBondContact O-N 3.2Å
49	I	34.6	Very low	44.7	Very low	149 Å²	149	132 Å²	132	76%	0.764	69%	0.686	S	S	*	*			trans	-49.3	130	172.2	-60.7	176.7	0	0	0	109.4	E47 R51	E47-I49 PolarHBondContact O-N 3.21Å; I49-R51 PolarHBondContact O-N 2.98Å
50	S	30.6	Very low	47.9	Very low	97 Å²	97	127.9 Å²	127.9	68%	0.678	66%	0.661	S	S	*	*			trans	-59.3	127.6	-172.4	50.9	0	0	0	0	111.9	P48 G52	P48-S50 PolarHBondContact O-N 3.2Å; S50-G52 PolarHBondContact O-N 2.92Å; S50-G52 VanDerWaalsContact O-N 3.08Å
51	R	33.7	Very low	51.1	Low	247 Å²	247	121.1 Å²	121.1	93%	0.932	64%	0.639	S	S	*	*	S	Bend	trans	-69.6	-4.5	-176.2	-69.7	-177.2	174.3	-179.9	-2	114.4	I49 G53	I49-R51 PolarHBondContact O-N 2.98Å; R51-G53 PolarHBondContact O-N 2.93Å
52	G	37	Very low	54.3	Low	76 Å²	76	116.3 Å²	116.3	78%	0.784	62%	0.617	S	S	*	*	S	Bend	trans	-87.9	83.5	177	0	0	0	0	0	112.4	S50	S50-G52 PolarHBondContact O-N 2.92Å; S50-G52 VanDerWaalsContact O-N 3.08Å
53	G	43.5	Very low	57.7	Low	59 Å²	59	111.9 Å²	111.9	61%	0.608	59%	0.59	S	S	*	*			trans	160.4	-14.9	170.6	0	0	0	0	0	117.3	R51 V55	R51-G53 PolarHBondContact O-N 2.93Å; G53-V55 PolarHBondContact O-N 2.71Å
54	Q	56.6	Low	61	Low	180 Å²	180	106.2 Å²	106.2	84%	0.841	56%	0.563	S	S	*	*			trans	-69.7	122.2	-176.3	-78.1	-170.1	-18.2	0	0	113.1	W56	Q54-W56 PolarHBondContact O-N 2.76Å
55	V	71	Confident	64.4	Low	29 Å²	29	107.1 Å²	107.1	18%	0.176	56%	0.556	C	S	.	*			trans	-73	89.5	176.7	179.4	0	0	0	0	109.4	G53 L169 H170 H407	G53-V55 PolarHBondContact O-N 2.71Å; V55-L169 HydrophobicContact CG1-CB 4.15Å; V55-L169 WeakPolarHBondContact O-CB 3.36Å; V55-L169 VanDerWaalsContact O-CD1 3.23Å; V55-L169 WeakPolarHBondContact O-CD1 3.46Å; V55-H170 HydrophobicContact CG1-CB 3.82Å; V55-H407 WeakPolarHBondContact CG2-CE1 3.5Å
56	W	85.4	Confident	67.7	Low	173 Å²	173	99.2 Å²	99.2	66%	0.655	53%	0.534	S	S	*	.			trans	-53.9	146.7	179.4	-178.6	84.1	0	0	0	113	Q54 P58 R173	Q54-W56 PolarHBondContact O-N 2.76Å; W56-P58 HydrophobicContact CH2-CB 4.46Å; W56-P58 HydrophobicContact CH2-CG 3.69Å; W56-P58 HydrophobicContact CZ2-CG 4.32Å; W56-P58 HydrophobicContact CZ3-CG 4.02Å; W56-R173 PolarHBondContact O-NE 2.93Å; W56-R173 PolarHBondContact O-NH2 2.96Å
57	A	87.9	Confident	71.1	Confident	17 Å²	17	90.3 Å²	90.3	14%	0.14	49%	0.493	C	S	.	.			trans	-149.6	155.5	164.3	0	0	0	0	0	109.2	E59 L169 R173	A57-E59 PolarHBondContact O-N 3.2Å; A57-L169 HydrophobicContact CB-CB 3.93Å; A57-L169 HydrophobicContact CB-CD2 4.4Å; A57-R173 HydrophobicContact CB-CB 4.15Å
58	P	91.4	Very high	74.5	Confident	22 Å²	22	84.2 Å²	84.2	14%	0.143	47%	0.465	C	S	.	.			trans	-55.8	131.2	176.5	-27.9	36.6	0	0	0	112.5	W56 T62 A63 Y160 L176	W56-P58 HydrophobicContact CH2-CB 4.46Å; W56-P58 HydrophobicContact CH2-CG 3.69Å; W56-P58 HydrophobicContact CZ2-CG 4.32Å; W56-P58 HydrophobicContact CZ3-CG 4.02Å; P58-T62 HydrophobicContact CB-CG2 4.19Å; P58-A63 HydrophobicContact CB-CB 4.46Å; P58-Y160 WeakPolarHBondContact CD-OH 3.44Å; P58-Y160 WeakPolarHBondContact O-CE1 3.3Å; P58-Y160 PolarHBondContact O-OH 2.77Å; P58-L176 HydrophobicContact CB-CD2 3.94Å; P58-L176 HydrophobicContact CG-CD2 3.86Å
59	E	93	Very high	77.7	Confident	139 Å²	139	81.7 Å²	81.7	65%	0.65	45%	0.451	S	S	*	.			trans	-57.7	157.4	168.7	-68.5	-177.4	-173.5	0	0	111.3	A57 S61 T62 A63	A57-E59 PolarHBondContact O-N 3.2Å; E59-S61 WeakPolarHBondContact CB-OG 3.41Å; E59-S61 PolarHBondContact O-N 3.33Å; E59-S61 VanDerWaalsContact O-N 3.13Å; E59-S61 PolarHBondContact OE2-OG 3.01Å; E59-T62 PolarHBondContact O-N 3.02Å; E59-A63 WeakPolarHBondContact O-CB 3.15Å; E59-A63 PolarHBondContact O-N 2.83Å
60	G	92.6	Very high	80.7	Confident	26 Å²	26	75.6 Å²	75.6	27%	0.268	42%	0.422	S	S	.	.	H	α-helix	trans	-57.5	-29.2	177.9	0	0	0	0	0	113.8	F64 L157	G60-F64 WeakPolarHBondContact O-CB 3.37Å; G60-F64 PolarHBondContact O-N 3.11Å; G60-L157 WeakPolarHBondContact O-CD1 3.19Å
61	S	94.6	Very high	83.9	Confident	58 Å²	58	71 Å²	71	41%	0.406	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-45.9	173.4	53.9	0	0	0	0	112.4	E59 K65	E59-S61 WeakPolarHBondContact CB-OG 3.41Å; E59-S61 PolarHBondContact O-N 3.33Å; E59-S61 VanDerWaalsContact O-N 3.13Å; E59-S61 PolarHBondContact OE2-OG 3.01Å; S61-K65 WeakPolarHBondContact O-CG 3.41Å; S61-K65 PolarHBondContact O-N 3.27Å
62	T	96	Very high	86.9	Confident	63 Å²	63	63 Å²	63	39%	0.387	36%	0.362	S	S	.	.	H	α-helix	trans	-74.4	-45.2	178.4	-59.6	0	0	0	0	111.4	P58 E59 F64 K65 C66	P58-T62 HydrophobicContact CB-CG2 4.19Å; E59-T62 PolarHBondContact O-N 3.02Å; T62-F64 VanDerWaalsContact C-N 3.31Å; T62-F64 PolarHBondContact O-N 3.25Å; T62-K65 PolarHBondContact O-N 2.89Å; T62-K65 VanDerWaalsContact O-N 3.16Å; T62-C66 PolarHBondContact O-N 3.2Å; T62-C66 PolarHBondContact O-SG 2.8Å; T62-C66 VanDerWaalsContact O-SG 3.36Å
63	A	96.9	Very high	89.8	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-56.9	-44.3	175.7	0	0	0	0	0	111.6	P58 E59 C66 L67 L157 Y160 L176	P58-A63 HydrophobicContact CB-CB 4.46Å; E59-A63 WeakPolarHBondContact O-CB 3.15Å; E59-A63 PolarHBondContact O-N 2.83Å; A63-C66 PolarHBondContact O-N 3.09Å; A63-L67 WeakPolarHBondContact O-CB 3.33Å; A63-L67 VanDerWaalsContact O-CG 3.31Å; A63-L67 WeakPolarHBondContact O-CG 3.2Å; A63-L67 PolarHBondContact O-N 2.96Å; A63-L157 HydrophobicContact CB-CD1 4.17Å; A63-Y160 HydrophobicContact CB-CD1 3.74Å; A63-Y160 HydrophobicContact CB-CE1 3.55Å; A63-L176 HydrophobicContact CB-CD1 4.18Å; A63-L176 HydrophobicContact CB-CD2 3.62Å
64	F	97.6	Very high	92.3	Very high	62 Å²	62	59.4 Å²	59.4	27%	0.272	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-46.9	174.6	178.9	-115	0	0	0	112.5	G60 T62 C66 L67 L68 F150 L157	G60-F64 WeakPolarHBondContact O-CB 3.37Å; G60-F64 PolarHBondContact O-N 3.11Å; T62-F64 VanDerWaalsContact C-N 3.31Å; T62-F64 PolarHBondContact O-N 3.25Å; F64-C66 PolarHBondContact O-N 3.4Å; F64-L67 PolarHBondContact O-N 2.72Å; F64-L68 HydrophobicContact CE1-CD2 4.02Å; F64-L68 HydrophobicContact CZ-CD2 3.92Å; F64-L68 WeakPolarHBondContact O-CB 3.44Å; F64-L68 PolarHBondContact O-N 2.95Å; F64-F150 HydrophobicContact CE2-CE2 4.49Å; F64-F150 HydrophobicContact CZ-CE2 4.11Å; F64-L157 HydrophobicContact CB-CD1 4.14Å; F64-L157 HydrophobicContact CB-CD2 3.95Å; F64-L157 HydrophobicContact CD2-CD2 3.92Å; F64-L157 HydrophobicContact CG-CD2 4.21Å
65	K	97.5	Very high	94.3	Very high	147 Å²	147	50.8 Å²	50.8	64%	0.639	28%	0.275	S	S	*	.	H	α-helix	trans	-61.6	-42.8	178.3	-71.6	170.4	-176.8	-179.7	0	112.4	S61 T62 S69	S61-K65 WeakPolarHBondContact O-CG 3.41Å; S61-K65 PolarHBondContact O-N 3.27Å; T62-K65 PolarHBondContact O-N 2.89Å; T62-K65 VanDerWaalsContact O-N 3.16Å; K65-S69 WeakPolarHBondContact O-CB 3.2Å; K65-S69 PolarHBondContact O-N 3.04Å; K65-S69 VanDerWaalsContact O-N 3.08Å
66	C	97.4	Very high	95.4	Very high	60 Å²	60	53.4 Å²	53.4	41%	0.405	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-46.5	178	-66	0	0	0	0	112.1	T62 A63 F64 A70 V180	T62-C66 PolarHBondContact O-N 3.2Å; T62-C66 PolarHBondContact O-SG 2.8Å; T62-C66 VanDerWaalsContact O-SG 3.36Å; A63-C66 PolarHBondContact O-N 3.09Å; F64-C66 PolarHBondContact O-N 3.4Å; C66-A70 PolarHBondContact O-N 2.88Å; C66-V180 HydrophobicContact CB-CG2 4.21Å
67	L	98.2	Very high	96	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-52.7	175.8	-72.2	165.8	0	0	0	110.8	A63 F64 S69 A70 R71 C153 E156 L176 L179 V180	A63-L67 WeakPolarHBondContact O-CB 3.33Å; A63-L67 VanDerWaalsContact O-CG 3.31Å; A63-L67 WeakPolarHBondContact O-CG 3.2Å; A63-L67 PolarHBondContact O-N 2.96Å; F64-L67 PolarHBondContact O-N 2.72Å; L67-S69 VanDerWaalsContact C-N 3.29Å; L67-S69 PolarHBondContact O-N 3.03Å; L67-A70 PolarHBondContact O-N 2.87Å; L67-A70 VanDerWaalsContact O-N 3.1Å; L67-R71 WeakPolarHBondContact O-CB 3.5Å; L67-R71 WeakPolarHBondContact O-CG 3.37Å; L67-R71 PolarHBondContact O-N 2.81Å; L67-C153 WeakPolarHBondContact CB-SG 3.46Å; L67-E156 HydrophobicContact CD1-CB 3.85Å; L67-E156 HydrophobicContact CD2-CB 4.1Å; L67-L176 HydrophobicContact CD1-CD1 3.83Å; L67-L176 HydrophobicContact CD2-CD1 4.01Å; L67-L176 HydrophobicContact CG-CD1 3.79Å; L67-L179 HydrophobicContact CD2-CB 4.27Å; L67-V180 HydrophobicContact CD2-CG2 3.67Å; L67-V180 HydrophobicContact CG-CG2 4.07Å
68	L	98	Very high	96.3	Very high	36 Å²	36	47.8 Å²	47.8	19%	0.188	27%	0.268	C	S	.	.	H	α-helix	trans	-57.3	-42.1	-177.2	-174.6	66.2	0	0	0	112	F64 R71 F72 F150 C153	F64-L68 HydrophobicContact CE1-CD2 4.02Å; F64-L68 HydrophobicContact CZ-CD2 3.92Å; F64-L68 WeakPolarHBondContact O-CB 3.44Å; F64-L68 PolarHBondContact O-N 2.95Å; L68-R71 PolarHBondContact O-N 2.8Å; L68-F72 HydrophobicContact CD1-CD1 4.13Å; L68-F72 HydrophobicContact CD1-CD2 4.35Å; L68-F72 HydrophobicContact CD1-CE1 3.69Å; L68-F72 HydrophobicContact CD1-CE2 3.93Å; L68-F72 HydrophobicContact CD1-CG 4.46Å; L68-F72 HydrophobicContact CD1-CZ 3.59Å; L68-F72 HydrophobicContact CD2-CE2 4.49Å; L68-F72 HydrophobicContact CG-CD2 4.32Å; L68-F72 HydrophobicContact CG-CE2 4.14Å; L68-F72 HydrophobicContact CG-CZ 4.31Å; L68-F72 WeakPolarHBondContact O-CB 3.37Å; L68-F72 PolarHBondContact O-N 2.9Å; L68-F150 HydrophobicContact CD1-CD2 3.86Å; L68-C153 HydrophobicContact CD1-CB 4.49Å; L68-C153 PolarHBondContact N-SG 2.9Å
69	S	97.6	Very high	96.5	Very high	76 Å²	76	48 Å²	48	53%	0.531	27%	0.268	S	S	.	.	H	α-helix	trans	-60.9	-50.3	175.4	-168.9	0	0	0	0	111.7	K65 L67 R71 F72 C73	K65-S69 WeakPolarHBondContact O-CB 3.2Å; K65-S69 PolarHBondContact O-N 3.04Å; K65-S69 VanDerWaalsContact O-N 3.08Å; L67-S69 VanDerWaalsContact C-N 3.29Å; L67-S69 PolarHBondContact O-N 3.03Å; S69-R71 VanDerWaalsContact C-N 3.31Å; S69-R71 PolarHBondContact O-N 3.42Å; S69-F72 PolarHBondContact O-N 2.91Å; S69-C73 PolarHBondContact O-N 2.86Å; S69-C73 PolarHBondContact O-SG 2.95Å; S69-C73 VanDerWaalsContact O-SG 3.34Å
70	A	97.6	Very high	96.6	Very high	20 Å²	20	43 Å²	43	17%	0.165	25%	0.245	C	C	.	.	H	α-helix	trans	-63.3	-36	178.2	0	0	0	0	0	112.9	C66 L67 A74 V180	C66-A70 PolarHBondContact O-N 2.88Å; L67-A70 PolarHBondContact O-N 2.87Å; L67-A70 VanDerWaalsContact O-N 3.1Å; A70-A74 PolarHBondContact O-N 3.34Å; A70-V180 HydrophobicContact CB-CG1 4.1Å
71	R	97.9	Very high	96.4	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-74.6	-34.8	179.7	-62.6	-70.9	160.7	-98.3	-14.4	112.4	L67 L68 S69 A74 A75 A149 C153 E156 L179 M185 S189	L67-R71 WeakPolarHBondContact O-CB 3.5Å; L67-R71 WeakPolarHBondContact O-CG 3.37Å; L67-R71 PolarHBondContact O-N 2.81Å; L68-R71 PolarHBondContact O-N 2.8Å; S69-R71 VanDerWaalsContact C-N 3.31Å; S69-R71 PolarHBondContact O-N 3.42Å; R71-A74 WeakPolarHBondContact O-CB 3.41Å; R71-A74 PolarHBondContact O-N 2.99Å; R71-A75 PolarHBondContact O-N 2.87Å; R71-A149 HydrophobicContact CB-CB 3.98Å; R71-A149 VanDerWaalsContact O-CB 3.24Å; R71-A149 WeakPolarHBondContact O-CB 3.34Å; R71-C153 HydrophobicContact CB-CB 4.44Å; R71-C153 HydrophobicContact CG-CB 4.12Å; R71-E156 WeakPolarHBondContact CD-OE2 3.46Å; R71-E156 IonicContact CZ-OE1 3.45Å; R71-E156 IonicContact CZ-OE2 3.62Å; R71-E156 IonicContact NE-OE1 2.72Å; R71-E156 PolarHBondContact NE-OE1 2.74Å; R71-E156 IonicContact NE-OE2 2.82Å; R71-E156 PolarHBondContact NE-OE2 2.95Å; R71-E156 IonicContact NH2-OE1 2.71Å; R71-E156 PolarHBondContact NH2-OE1 3.04Å; R71-E156 IonicContact NH2-OE2 3.62Å; R71-L179 PolarHBondContact NH2-O 3.08Å; R71-M185 PolarHBondContact NH1-O 3.05Å; R71-S189 WeakPolarHBondContact CD-OG 3.27Å
72	F	97.8	Very high	96.1	Very high	77 Å²	77	44 Å²	44	34%	0.338	25%	0.245	S	C	.	.	H	α-helix	trans	-73.4	-34.2	170.8	-74.7	-1.2	0	0	0	112.5	L68 S69 A74 A75 L76 C146 A149 F150	L68-F72 HydrophobicContact CD1-CD1 4.13Å; L68-F72 HydrophobicContact CD1-CD2 4.35Å; L68-F72 HydrophobicContact CD1-CE1 3.69Å; L68-F72 HydrophobicContact CD1-CE2 3.93Å; L68-F72 HydrophobicContact CD1-CG 4.46Å; L68-F72 HydrophobicContact CD1-CZ 3.59Å; L68-F72 HydrophobicContact CD2-CE2 4.49Å; L68-F72 HydrophobicContact CG-CD2 4.32Å; L68-F72 HydrophobicContact CG-CE2 4.14Å; L68-F72 HydrophobicContact CG-CZ 4.31Å; L68-F72 WeakPolarHBondContact O-CB 3.37Å; L68-F72 PolarHBondContact O-N 2.9Å; S69-F72 PolarHBondContact O-N 2.91Å; F72-A74 VanDerWaalsContact C-N 3.3Å; F72-A74 PolarHBondContact O-N 2.91Å; F72-A75 PolarHBondContact O-N 3.21Å; F72-L76 WeakPolarHBondContact O-CG 3.35Å; F72-L76 PolarHBondContact O-N 3.16Å; F72-C146 HydrophobicContact CE1-CB 4.31Å; F72-A149 HydrophobicContact CD1-CB 4.17Å; F72-F150 HydrophobicContact CE1-CB 4.25Å
73	C	97	Very high	95.9	Very high	60 Å²	60	42.8 Å²	42.8	41%	0.405	24%	0.239	S	C	.	.	H	α-helix	trans	-60	-40.5	166.7	-70.3	0	0	0	0	111.7	S69 L77	S69-C73 PolarHBondContact O-N 2.86Å; S69-C73 PolarHBondContact O-SG 2.95Å; S69-C73 VanDerWaalsContact O-SG 3.34Å; C73-L77 VanDerWaalsContact O-CB 3.24Å; C73-L77 WeakPolarHBondContact O-CB 3.22Å; C73-L77 WeakPolarHBondContact O-CG 3.39Å; C73-L77 PolarHBondContact O-N 3.36Å
74	A	96.9	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-51	172.3	0	0	0	0	0	112.2	A70 R71 F72 L76 L77 S78 F186	A70-A74 PolarHBondContact O-N 3.34Å; R71-A74 WeakPolarHBondContact O-CB 3.41Å; R71-A74 PolarHBondContact O-N 2.99Å; F72-A74 VanDerWaalsContact C-N 3.3Å; F72-A74 PolarHBondContact O-N 2.91Å; A74-L76 PolarHBondContact O-N 3.48Å; A74-L76 VanDerWaalsContact O-N 3.11Å; A74-L77 PolarHBondContact O-N 3.39Å; A74-S78 WeakPolarHBondContact O-CB 3.45Å; A74-S78 PolarHBondContact O-N 3.48Å; A74-S78 PolarHBondContact O-OG 3.48Å; A74-F186 HydrophobicContact CB-CD2 3.88Å; A74-F186 HydrophobicContact CB-CE2 4.4Å; A74-F186 VanDerWaalsContact CB-O 3.28Å; A74-F186 WeakPolarHBondContact CB-O 3.42Å
75	A	97.1	Very high	95.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-53.9	-35.4	-179	0	0	0	0	0	114.5	R71 F72 R145 A149 A190	R71-A75 PolarHBondContact O-N 2.87Å; F72-A75 PolarHBondContact O-N 3.21Å; A75-R145 HydrophobicContact CB-CB 4.04Å; A75-R145 PolarHBondContact O-NE 3.24Å; A75-R145 VanDerWaalsContact O-NE 3.11Å; A75-A149 HydrophobicContact CB-CB 3.92Å; A75-A190 HydrophobicContact CB-CB 4.06Å
76	L	95.9	Very high	95.7	Very high	84 Å²	84	34 Å²	34	44%	0.44	20%	0.202	S	C	.	.	H	α-helix	trans	-92.9	-32.5	-177.6	-60.8	176.5	0	0	0	113.9	F72 A74 Y142	F72-L76 WeakPolarHBondContact O-CG 3.35Å; F72-L76 PolarHBondContact O-N 3.16Å; A74-L76 PolarHBondContact O-N 3.48Å; A74-L76 VanDerWaalsContact O-N 3.11Å; L76-Y142 HydrophobicContact CD2-CD1 3.88Å; L76-Y142 HydrophobicContact CD2-CE1 4.5Å; L76-Y142 HydrophobicContact CD2-CG 4.39Å
77	L	96.3	Very high	95.7	Very high	71 Å²	71	31.3 Å²	31.3	37%	0.372	18%	0.184	S	C	.	.	H	α-helix	trans	-113.9	-13.4	-169.4	-52.6	175.5	0	0	0	114.2	C73 A74 F186 F435 H439	C73-L77 VanDerWaalsContact O-CB 3.24Å; C73-L77 WeakPolarHBondContact O-CB 3.22Å; C73-L77 WeakPolarHBondContact O-CG 3.39Å; C73-L77 PolarHBondContact O-N 3.36Å; A74-L77 PolarHBondContact O-N 3.39Å; L77-F186 HydrophobicContact CB-CE2 4.14Å; L77-F186 HydrophobicContact CB-CZ 4.01Å; L77-F435 HydrophobicContact CB-CD2 4.1Å; L77-F435 HydrophobicContact CB-CE2 4.31Å; L77-F435 HydrophobicContact CD2-CD2 4.37Å; L77-F435 HydrophobicContact CD2-CE2 3.75Å; L77-F435 HydrophobicContact CD2-CZ 4.14Å; L77-F435 WeakPolarHBondContact O-CD2 3.44Å; L77-H439 PolarHBondContact O-ND1 2.86Å
78	S	95.6	Very high	95.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-77	140	175.1	83.7	0	0	0	0	110.6	A74 R145 F186	A74-S78 WeakPolarHBondContact O-CB 3.45Å; A74-S78 PolarHBondContact O-N 3.48Å; A74-S78 PolarHBondContact O-OG 3.48Å; S78-R145 PolarHBondContact O-NH2 3.12Å; S78-R145 VanDerWaalsContact O-NH2 3.1Å; S78-R145 PolarHBondContact OG-NH2 2.84Å; S78-R145 VanDerWaalsContact OG-NH2 3.08Å; S78-F186 VanDerWaalsContact CB-O 3.26Å; S78-F186 WeakPolarHBondContact CB-O 3.46Å
79	N	94.8	Very high	95.6	Very high	27 Å²	27	30 Å²	30	14%	0.144	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-79.1	160.4	-179.2	-52.3	-31.7	0	0	0	110.7	S81 L434 H439	N79-S81 PolarHBondContact O-N 3.1Å; N79-L434 PolarHBondContact ND2-O 3.17Å; N79-H439 VanDerWaalsContact OD1-CA 3.29Å; N79-H439 WeakPolarHBondContact OD1-CA 3.45Å; N79-H439 WeakPolarHBondContact OD1-CB 3.26Å; N79-H439 PolarHBondContact OD1-ND1 3.34Å
80	I	95.4	Very high	95.6	Very high	34 Å²	34	26.4 Å²	26.4	17%	0.174	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-74.6	118.3	155.3	-66.6	173.3	0	0	0	106.6	D82 E85 F141 L442 P478	I80-D82 VanDerWaalsContact CG2-O 3.26Å; I80-D82 WeakPolarHBondContact CG2-O 3.4Å; I80-E85 HydrophobicContact CG2-CB 4.03Å; I80-F141 HydrophobicContact CD1-CE2 4.24Å; I80-F141 HydrophobicContact CD1-CZ 4.05Å; I80-L442 HydrophobicContact CD1-CD2 4.45Å; I80-P478 HydrophobicContact CD1-CB 4.28Å; I80-P478 VanDerWaalsContact CD1-O 3.27Å; I80-P478 WeakPolarHBondContact CD1-O 3.44Å
81	S	87.5	Confident	95.7	Very high	77 Å²	77	25.5 Å²	25.5	54%	0.538	14%	0.143	S	C	.	.			trans	-98.8	-10.8	-176.5	55.9	0	0	0	0	113.9	N79	N79-S81 PolarHBondContact O-N 3.1Å
82	D	89.4	Confident	95.6	Very high	26 Å²	26	25.4 Å²	25.4	14%	0.139	14%	0.143	C	C	.	.			trans	-140	129.5	-167.4	171.4	17.6	0	0	0	109.1	I80 D84 E85 L193 R372	I80-D82 VanDerWaalsContact CG2-O 3.26Å; I80-D82 WeakPolarHBondContact CG2-O 3.4Å; D82-D84 PolarHBondContact O-N 3.27Å; D82-D84 WeakPolarHBondContact OD1-CB 3.46Å; D82-D84 PolarHBondContact OD1-N 2.74Å; D82-D84 WeakPolarHBondContact OD2-CB 3.33Å; D82-E85 WeakPolarHBondContact O-CB 3.27Å; D82-E85 PolarHBondContact O-N 3.15Å; D82-L193 HydrophobicContact CB-CD1 4.49Å; D82-R372 VanDerWaalsContact OD2-CD 3.26Å; D82-R372 WeakPolarHBondContact OD2-CD 3.45Å; D82-R372 IonicContact OD2-CZ 2.81Å; D82-R372 VanDerWaalsContact OD2-CZ 3.25Å; D82-R372 IonicContact OD2-NE 3.37Å; D82-R372 PolarHBondContact OD2-NE 2.85Å; D82-R372 IonicContact OD2-NH1 2.76Å; D82-R372 PolarHBondContact OD2-NH1 3.46Å
83	C	92.8	Very high	95.6	Very high	38 Å²	38	21.7 Å²	21.7	26%	0.257	13%	0.127	S	C	.	.	H	α-helix	trans	-70	-19.8	179.8	58.3	0	0	0	0	112.9	E85 T86 F87 W474	C83-E85 VanDerWaalsContact C-N 3.34Å; C83-T86 PolarHBondContact O-N 2.69Å; C83-F87 HydrophobicContact CB-CD2 4.14Å; C83-F87 HydrophobicContact CB-CE2 4.38Å; C83-F87 VanDerWaalsContact O-CD2 3.3Å; C83-F87 WeakPolarHBondContact O-CD2 3.4Å; C83-F87 PolarHBondContact O-N 2.86Å; C83-W474 HydrophobicContact CB-CZ3 4.23Å
84	D	93.2	Very high	95.5	Very high	25 Å²	25	19 Å²	19	13%	0.134	11%	0.108	C	C	.	.	H	α-helix	trans	-65.1	-35.9	170.8	-109	14.1	0	0	0	111.7	D82 T86 F87 N88 Y89 R114 L193 R372	D82-D84 PolarHBondContact O-N 3.27Å; D82-D84 WeakPolarHBondContact OD1-CB 3.46Å; D82-D84 PolarHBondContact OD1-N 2.74Å; D82-D84 WeakPolarHBondContact OD2-CB 3.33Å; D84-T86 PolarHBondContact O-N 2.9Å; D84-F87 PolarHBondContact O-N 2.98Å; D84-N88 WeakPolarHBondContact O-CA 3.4Å; D84-N88 VanDerWaalsContact O-CB 3.29Å; D84-N88 WeakPolarHBondContact O-CB 3.41Å; D84-N88 PolarHBondContact O-N 2.92Å; D84-N88 PolarHBondContact OD1-ND2 2.67Å; D84-Y89 WeakPolarHBondContact O-CD2 3.15Å; D84-R114 IonicContact OD1-NH2 3.94Å; D84-R114 IonicContact OD2-CZ 3.11Å; D84-R114 IonicContact OD2-NH1 2.74Å; D84-R114 IonicContact OD2-NH2 3.76Å; D84-R114 PolarHBondContact OD2-NH2 2.96Å; D84-L193 HydrophobicContact CB-CD2 4.49Å; D84-R372 VanDerWaalsContact CG-NH1 3.32Å; D84-R372 IonicContact OD2-CZ 3.95Å; D84-R372 VanDerWaalsContact OD2-CZ 3.3Å; D84-R372 IonicContact OD2-NH1 4Å; D84-R372 PolarHBondContact OD2-NH1 3.36Å; D84-R372 IonicContact OD2-NH2 3.92Å; D84-R372 PolarHBondContact OD2-NH2 2.87Å
85	E	96.8	Very high	95.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	I	π-helix	trans	-56.6	-43.3	175.5	-164	-168.1	153.1	0	0	109.4	I80 D82 C83 Y89 W90 R145 F192 L193	I80-E85 HydrophobicContact CG2-CB 4.03Å; D82-E85 WeakPolarHBondContact O-CB 3.27Å; D82-E85 PolarHBondContact O-N 3.15Å; C83-E85 VanDerWaalsContact C-N 3.34Å; E85-Y89 WeakPolarHBondContact O-CB 3.41Å; E85-W90 PolarHBondContact O-N 2.83Å; E85-W90 PolarHBondContact OE1-NE1 3.03Å; E85-R145 IonicContact OE1-NH1 2.9Å; E85-R145 PolarHBondContact OE1-NH1 3.16Å; E85-F192 VanDerWaalsContact CD-N 3.33Å; E85-F192 HydrophobicContact CG-CB 4.05Å; E85-F192 PolarHBondContact OE1-N 2.89Å; E85-L193 HydrophobicContact CB-CD2 3.98Å; E85-L193 HydrophobicContact CB-CG 4.09Å; E85-L193 HydrophobicContact CG-CD2 4.41Å; E85-L193 HydrophobicContact CG-CG 4.12Å
86	T	97.3	Very high	95.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	I	π-helix	trans	-67.3	-67.1	173.6	-57.4	0	0	0	0	111.9	C83 D84 W90 E91 F477 P478	C83-T86 PolarHBondContact O-N 2.69Å; D84-T86 PolarHBondContact O-N 2.9Å; T86-W90 PolarHBondContact O-N 3.42Å; T86-W90 VanDerWaalsContact O-N 3.15Å; T86-E91 HydrophobicContact CG2-CG 3.95Å; T86-E91 PolarHBondContact O-N 2.92Å; T86-F477 HydrophobicContact CG2-CD1 3.66Å; T86-F477 HydrophobicContact CG2-CE1 4.3Å; T86-F477 VanDerWaalsContact CG2-O 3.27Å; T86-F477 WeakPolarHBondContact CG2-O 3.17Å; T86-F477 PolarHBondContact OG1-O 3.29Å; T86-P478 PolarHBondContact OG1-O 2.85Å
87	F	97.3	Very high	95.2	Very high	4 Å²	4	19 Å²	19	2%	0.018	11%	0.107	C	C	.	.	I	π-helix	trans	-83.8	-16	-161.9	-64.4	-66	0	0	0	114.7	C83 D84 E91 P92 M102 T104 W474 F477 L489 F491 P501	C83-F87 HydrophobicContact CB-CD2 4.14Å; C83-F87 HydrophobicContact CB-CE2 4.38Å; C83-F87 VanDerWaalsContact O-CD2 3.3Å; C83-F87 WeakPolarHBondContact O-CD2 3.4Å; C83-F87 PolarHBondContact O-N 2.86Å; D84-F87 PolarHBondContact O-N 2.98Å; F87-E91 HydrophobicContact CD1-CG 4.01Å; F87-E91 HydrophobicContact CE1-CG 4.46Å; F87-P92 WeakPolarHBondContact O-CD 3.4Å; F87-M102 HydrophobicContact CD1-CB 4.05Å; F87-M102 HydrophobicContact CD1-CG 4.41Å; F87-M102 HydrophobicContact CE1-CB 4.5Å; F87-M102 HydrophobicContact CE1-CG 4.37Å; F87-T104 HydrophobicContact CB-CG2 4.1Å; F87-W474 HydrophobicContact CD2-CE3 4.37Å; F87-W474 HydrophobicContact CD2-CZ3 4.08Å; F87-W474 AromaticContact CE2-CE3 3.68Å; F87-W474 HydrophobicContact CE2-CE3 3.68Å; F87-W474 AromaticContact CE2-CZ3 3.84Å; F87-W474 HydrophobicContact CE2-CZ3 3.84Å; F87-W474 HydrophobicContact CZ-CE3 4.3Å; F87-F477 AromaticContact CE1-CD1 3.8Å; F87-F477 HydrophobicContact CE1-CD1 3.8Å; F87-F477 HydrophobicContact CE1-CE1 4.48Å; F87-F477 HydrophobicContact CZ-CB 3.93Å; F87-F477 AromaticContact CZ-CD1 3.86Å; F87-F477 HydrophobicContact CZ-CD1 3.86Å; F87-F477 HydrophobicContact CZ-CG 4.32Å; F87-L489 HydrophobicContact CE1-CD2 3.99Å; F87-L489 HydrophobicContact CZ-CD2 4.3Å; F87-F491 HydrophobicContact CE1-CZ 4.23Å; F87-F491 HydrophobicContact CZ-CE1 4.4Å; F87-F491 HydrophobicContact CZ-CZ 4.37Å; F87-P501 HydrophobicContact CB-CG 3.86Å; F87-P501 HydrophobicContact CD1-CB 4.01Å; F87-P501 HydrophobicContact CD1-CG 3.6Å; F87-P501 HydrophobicContact CD2-CG 4.01Å; F87-P501 HydrophobicContact CE1-CG 4.09Å; F87-P501 HydrophobicContact CE2-CG 4.47Å; F87-P501 HydrophobicContact CG-CB 4.35Å; F87-P501 HydrophobicContact CG-CG 3.55Å; F87-P501 HydrophobicContact CZ-CG 4.5Å
88	N	96.8	Very high	95	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.102	C	C	.	.	I	π-helix	trans	-106.6	-10.6	175.6	-88	-52.2	0	0	0	114.3	D84 T104 E106 Y107	D84-N88 WeakPolarHBondContact O-CA 3.4Å; D84-N88 VanDerWaalsContact O-CB 3.29Å; D84-N88 WeakPolarHBondContact O-CB 3.41Å; D84-N88 PolarHBondContact O-N 2.92Å; D84-N88 PolarHBondContact OD1-ND2 2.67Å; N88-T104 WeakPolarHBondContact ND2-CG2 3.3Å; N88-T104 WeakPolarHBondContact OD1-CG2 3.5Å; N88-T104 PolarHBondContact OD1-OG1 3.39Å; N88-E106 PolarHBondContact ND2-OE2 2.76Å; N88-E106 PolarHBondContact OD1-OE2 3.47Å; N88-E106 VanDerWaalsContact OD1-OE2 3.06Å; N88-Y107 HydrophobicContact CB-CE2 4.24Å; N88-Y107 WeakPolarHBondContact O-CE2 3.25Å; N88-Y107 PolarHBondContact O-OH 3.38Å; N88-Y107 WeakPolarHBondContact OD1-CD2 3.4Å; N88-Y107 VanDerWaalsContact OD1-CE2 3.28Å; N88-Y107 WeakPolarHBondContact OD1-CE2 3.09Å
89	Y	97.6	Very high	94.8	Very high	8 Å²	8	21 Å²	21	3%	0.031	13%	0.126	C	C	.	.	I	π-helix	trans	-132.4	-57.7	-179.5	-57.3	-73.4	0	0	0	114	D84 E85 M93 R114 Y118 L119 F192 L193 P194	D84-Y89 WeakPolarHBondContact O-CD2 3.15Å; E85-Y89 WeakPolarHBondContact O-CB 3.41Å; Y89-M93 WeakPolarHBondContact O-CB 3.38Å; Y89-M93 PolarHBondContact O-N 3.15Å; Y89-M93 VanDerWaalsContact O-N 3.07Å; Y89-R114 WeakPolarHBondContact OH-CD 3.42Å; Y89-R114 PolarHBondContact OH-NH1 3.1Å; Y89-Y118 AromaticContact CD1-CD1 3.75Å; Y89-Y118 HydrophobicContact CD1-CD1 3.75Å; Y89-Y118 AromaticContact CD1-CE1 3.52Å; Y89-Y118 HydrophobicContact CD1-CE1 3.52Å; Y89-Y118 AromaticContact CE1-CD1 3.6Å; Y89-Y118 HydrophobicContact CE1-CD1 3.6Å; Y89-Y118 AromaticContact CE1-CE1 3.57Å; Y89-Y118 HydrophobicContact CE1-CE1 3.57Å; Y89-L119 HydrophobicContact CD1-CD2 3.98Å; Y89-F192 VanDerWaalsContact CB-O 3.3Å; Y89-F192 WeakPolarHBondContact CB-O 3.29Å; Y89-F192 HydrophobicContact CD1-CE2 4.47Å; Y89-F192 WeakPolarHBondContact CD2-O 3.33Å; Y89-F192 VanDerWaalsContact CG-O 3.28Å; Y89-F192 WeakPolarHBondContact O-CE1 3.15Å; Y89-L193 HydrophobicContact CD2-CD2 3.95Å; Y89-L193 HydrophobicContact CE2-CD2 3.99Å; Y89-P194 HydrophobicContact CE1-CG 3.78Å; Y89-P194 HydrophobicContact CE2-CG 4.26Å; Y89-P194 VanDerWaalsContact CZ-CG 3.5Å; Y89-P194 WeakPolarHBondContact OH-CD 3.24Å; Y89-P194 WeakPolarHBondContact OH-CG 3.23Å
90	W	97.8	Very high	94.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.138	C	C	.	.	I	π-helix	trans	-65.4	-43.3	179.1	-70.1	111.5	0	0	0	113.2	E85 T86 M93 H94 F141 V144 R145 F192 F481	E85-W90 PolarHBondContact O-N 2.83Å; E85-W90 PolarHBondContact OE1-NE1 3.03Å; T86-W90 PolarHBondContact O-N 3.42Å; T86-W90 VanDerWaalsContact O-N 3.15Å; W90-M93 HydrophobicContact CD2-CE 4.48Å; W90-M93 HydrophobicContact CE3-CE 3.42Å; W90-M93 VanDerWaalsContact CE3-CE 3.42Å; W90-M93 HydrophobicContact CH2-CE 4.41Å; W90-M93 HydrophobicContact CZ3-CE 3.39Å; W90-M93 PolarHBondContact O-N 2.88Å; W90-H94 WeakPolarHBondContact O-CB 3.09Å; W90-H94 PolarHBondContact O-N 2.84Å; W90-F141 AromaticContact CD2-CD2 3.79Å; W90-F141 HydrophobicContact CD2-CD2 3.79Å; W90-F141 AromaticContact CD2-CE2 3.64Å; W90-F141 HydrophobicContact CD2-CE2 3.64Å; W90-F141 AromaticContact CE2-CE2 3.61Å; W90-F141 AromaticContact CE3-CD2 3.51Å; W90-F141 HydrophobicContact CE3-CD2 3.51Å; W90-F141 AromaticContact CE3-CE2 3.89Å; W90-F141 HydrophobicContact CE3-CE2 3.89Å; W90-F141 HydrophobicContact CG-CE2 4.18Å; W90-F141 AromaticContact CH2-CD2 3.86Å; W90-F141 HydrophobicContact CH2-CD2 3.86Å; W90-F141 HydrophobicContact CH2-CE2 4.12Å; W90-F141 HydrophobicContact CH2-CG 4.42Å; W90-F141 WeakPolarHBondContact CH2-O 3.21Å; W90-F141 HydrophobicContact CZ2-CD2 4.12Å; W90-F141 AromaticContact CZ2-CE2 3.89Å; W90-F141 HydrophobicContact CZ2-CE2 3.89Å; W90-F141 HydrophobicContact CZ3-CB 4.46Å; W90-F141 AromaticContact CZ3-CD2 3.54Å; W90-F141 HydrophobicContact CZ3-CD2 3.54Å; W90-F141 HydrophobicContact CZ3-CE2 4.11Å; W90-F141 HydrophobicContact CZ3-CG 4.22Å; W90-V144 HydrophobicContact CH2-CB 3.79Å; W90-V144 HydrophobicContact CH2-CG1 3.71Å; W90-V144 HydrophobicContact CZ3-CB 3.96Å; W90-V144 HydrophobicContact CZ3-CG1 4.02Å; W90-R145 HydrophobicContact CH2-CG 3.77Å; W90-R145 HydrophobicContact CZ2-CG 3.65Å; W90-F192 AromaticContact CD2-CD1 3.86Å; W90-F192 HydrophobicContact CD2-CD1 3.86Å; W90-F192 AromaticContact CE2-CD1 3.92Å; W90-F192 HydrophobicContact CE3-CD1 4.12Å; W90-F192 HydrophobicContact CG-CD1 4.26Å; W90-F192 HydrophobicContact CH2-CD1 4.46Å; W90-F192 HydrophobicContact CZ2-CB 3.79Å; W90-F192 HydrophobicContact CZ2-CD1 4.2Å; W90-F192 HydrophobicContact CZ2-CG 4.44Å; W90-F192 HydrophobicContact CZ3-CD1 4.42Å; W90-F481 AromaticContact CE3-CD2 3.92Å; W90-F481 HydrophobicContact CE3-CD2 3.92Å; W90-F481 AromaticContact CE3-CE2 3.8Å; W90-F481 HydrophobicContact CE3-CE2 3.8Å; W90-F481 HydrophobicContact CZ3-CE2 4.41Å; W90-F481 WeakPolarHBondContact O-CE2 3.39Å
91	E	97.9	Very high	94.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-73.4	-44.3	-177.4	-69.1	-56.8	107.7	0	0	113.9	T86 F87 M93 H94 F95 M102 F477 S479 S480	T86-E91 HydrophobicContact CG2-CG 3.95Å; T86-E91 PolarHBondContact O-N 2.92Å; F87-E91 HydrophobicContact CD1-CG 4.01Å; F87-E91 HydrophobicContact CE1-CG 4.46Å; E91-M93 VanDerWaalsContact C-N 3.32Å; E91-M93 PolarHBondContact O-N 3.16Å; E91-H94 PolarHBondContact O-N 3.06Å; E91-F95 PolarHBondContact O-N 3.3Å; E91-M102 HydrophobicContact CB-CB 3.94Å; E91-M102 WeakPolarHBondContact CB-O 3.36Å; E91-M102 HydrophobicContact CG-CB 4.1Å; E91-F477 HydrophobicContact CG-CE1 4.34Å; E91-S479 VanDerWaalsContact OE1-CA 3.25Å; E91-S479 WeakPolarHBondContact OE1-CA 3.21Å; E91-S479 VanDerWaalsContact OE1-CB 3.32Å; E91-S479 WeakPolarHBondContact OE1-CB 3.35Å; E91-S479 PolarHBondContact OE1-OG 3.41Å; E91-S480 WeakPolarHBondContact OE1-CB 3.35Å; E91-S480 PolarHBondContact OE1-N 2.87Å; E91-S480 PolarHBondContact OE1-OG 2.85Å; E91-S480 VanDerWaalsContact OE2-CB 3.31Å; E91-S480 WeakPolarHBondContact OE2-CB 3.18Å; E91-S480 PolarHBondContact OE2-OG 2.87Å
92	P	97.5	Very high	95.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.9	-37.6	168.3	-29.5	39	0	0	0	113.6	F87 F95 L96 Y107 L119 Y504	F87-P92 WeakPolarHBondContact O-CD 3.4Å; P92-F95 WeakPolarHBondContact O-CB 3.28Å; P92-F95 PolarHBondContact O-N 3.48Å; P92-L96 WeakPolarHBondContact O-CG 3.38Å; P92-L96 PolarHBondContact O-N 3.41Å; P92-Y107 HydrophobicContact CB-CE2 4.32Å; P92-Y107 HydrophobicContact CG-CD2 4.05Å; P92-Y107 HydrophobicContact CG-CE2 3.74Å; P92-L119 HydrophobicContact CB-CD1 3.44Å; P92-L119 VanDerWaalsContact CB-CD1 3.44Å; P92-L119 HydrophobicContact CB-CD2 4.22Å; P92-L119 HydrophobicContact CB-CG 4.49Å; P92-Y504 HydrophobicContact CB-CE2 4.33Å; P92-Y504 HydrophobicContact CG-CE2 4.46Å
93	M	96.8	Very high	95.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68	-39.4	173.2	-176	172.4	66.7	0	0	112.1	Y89 W90 E91 F95 L96 L97 A123 V144 F192 F481	Y89-M93 WeakPolarHBondContact O-CB 3.38Å; Y89-M93 PolarHBondContact O-N 3.15Å; Y89-M93 VanDerWaalsContact O-N 3.07Å; W90-M93 HydrophobicContact CD2-CE 4.48Å; W90-M93 HydrophobicContact CE3-CE 3.42Å; W90-M93 VanDerWaalsContact CE3-CE 3.42Å; W90-M93 HydrophobicContact CH2-CE 4.41Å; W90-M93 HydrophobicContact CZ3-CE 3.39Å; W90-M93 PolarHBondContact O-N 2.88Å; E91-M93 VanDerWaalsContact C-N 3.32Å; E91-M93 PolarHBondContact O-N 3.16Å; M93-F95 PolarHBondContact O-N 3.28Å; M93-L96 PolarHBondContact O-N 2.92Å; M93-L97 HydrophobicContact CG-CD1 4.23Å; M93-L97 HydrophobicContact CG-CG 4.37Å; M93-L97 WeakPolarHBondContact O-CG 2.92Å; M93-L97 PolarHBondContact O-N 3.49Å; M93-A123 HydrophobicContact CG-CB 3.95Å; M93-A123 HydrophobicContact SD-CB 4.09Å; M93-V144 HydrophobicContact CE-CG1 4.21Å; M93-V144 HydrophobicContact CE-CG2 4.22Å; M93-F192 HydrophobicContact CB-CE1 4.12Å; M93-F192 HydrophobicContact CE-CD1 4.06Å; M93-F192 HydrophobicContact CE-CE1 3.57Å; M93-F192 HydrophobicContact CE-CZ 4.47Å; M93-F192 HydrophobicContact SD-CE1 3.72Å; M93-F192 HydrophobicContact SD-CZ 4.08Å; M93-F481 HydrophobicContact CE-CE2 3.83Å; M93-F481 HydrophobicContact CE-CZ 3.78Å; M93-F481 HydrophobicContact CG-CZ 4.37Å
94	H	95.8	Very high	95.6	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.009	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-35.8	173.6	-172.1	-78.8	0	0	0	111	W90 E91 L97 Y98 T100 K137 S480 F481	W90-H94 WeakPolarHBondContact O-CB 3.09Å; W90-H94 PolarHBondContact O-N 2.84Å; E91-H94 PolarHBondContact O-N 3.06Å; H94-L97 PolarHBondContact O-N 3.09Å; H94-Y98 AromaticContact CD2-CD2 3.55Å; H94-Y98 AromaticContact CD2-CE2 3.95Å; H94-Y98 AromaticContact CE1-CD2 3.86Å; H94-Y98 AromaticContact CG-CD2 3.85Å; H94-Y98 AromaticContact NE2-CD2 3.59Å; H94-Y98 WeakPolarHBondContact O-CB 3.32Å; H94-Y98 PolarHBondContact O-N 3.04Å; H94-T100 CarbonylContact C-O 3.55Å; H94-T100 VanDerWaalsContact C-O 3.23Å; H94-T100 PolarHBondContact ND1-O 2.94Å; H94-K137 PolarHBondContact NE2-NZ 2.92Å; H94-S480 VanDerWaalsContact CD2-C 3.48Å; H94-S480 PolarHBondContact NE2-O 3.05Å; H94-F481 HydrophobicContact CB-CD2 4.02Å; H94-F481 HydrophobicContact CB-CE2 3.74Å; H94-F481 HydrophobicContact CB-CZ 4.31Å; H94-F481 AromaticContact CD2-CD2 3.85Å; H94-F481 AromaticContact CD2-CG 3.76Å; H94-F481 PolarHBondContact CD2-N 2.69Å; H94-F481 VanDerWaalsContact CD2-N 3.28Å
95	F	95.7	Very high	95.7	Very high	21 Å²	21	15.5 Å²	15.5	9%	0.092	9%	0.093	C	C	.	.	H	α-helix	trans	-63.9	-48.1	171.4	177	-97.2	0	0	0	112.5	E91 P92 M93 L97 Y98 G99 T100 Y504 A510 T511	E91-F95 PolarHBondContact O-N 3.3Å; P92-F95 WeakPolarHBondContact O-CB 3.28Å; P92-F95 PolarHBondContact O-N 3.48Å; M93-F95 PolarHBondContact O-N 3.28Å; F95-L97 VanDerWaalsContact C-N 3.25Å; F95-L97 PolarHBondContact O-N 3.34Å; F95-Y98 PolarHBondContact O-N 3.16Å; F95-G99 VanDerWaalsContact CD2-C 3.48Å; F95-G99 WeakPolarHBondContact CE2-O 3.33Å; F95-G99 VanDerWaalsContact O-CA 3.29Å; F95-G99 WeakPolarHBondContact O-CA 3.42Å; F95-G99 PolarHBondContact O-N 3.43Å; F95-T100 WeakPolarHBondContact CA-O 3.35Å; F95-T100 PolarHBondContact N-O 2.98Å; F95-T100 VanDerWaalsContact N-O 3.14Å; F95-Y504 HydrophobicContact CB-CD2 3.5Å; F95-Y504 VanDerWaalsContact CB-CD2 3.5Å; F95-Y504 HydrophobicContact CB-CE2 3.74Å; F95-Y504 HydrophobicContact CB-CG 4.16Å; F95-Y504 AromaticContact CD1-CD1 3.99Å; F95-Y504 HydrophobicContact CD1-CD1 3.99Å; F95-Y504 AromaticContact CD1-CD2 3.98Å; F95-Y504 HydrophobicContact CD1-CD2 3.98Å; F95-Y504 HydrophobicContact CD1-CE1 4.17Å; F95-Y504 HydrophobicContact CD1-CE2 4.14Å; F95-Y504 AromaticContact CD1-CG 3.88Å; F95-Y504 HydrophobicContact CD1-CG 3.88Å; F95-Y504 HydrophobicContact CD2-CD1 4.37Å; F95-Y504 AromaticContact CD2-CD2 3.79Å; F95-Y504 HydrophobicContact CD2-CD2 3.79Å; F95-Y504 AromaticContact CD2-CG 3.59Å; F95-Y504 HydrophobicContact CD2-CG 3.59Å; F95-Y504 HydrophobicContact CE1-CD1 4.12Å; F95-Y504 HydrophobicContact CE1-CE1 4.49Å; F95-Y504 HydrophobicContact CE1-CG 4.27Å; F95-Y504 VanDerWaalsContact CE2-CB 3.49Å; F95-Y504 HydrophobicContact CE2-CD1 4.48Å; F95-Y504 AromaticContact CE2-CG 3.99Å; F95-Y504 HydrophobicContact CE2-CG 3.99Å; F95-Y504 HydrophobicContact CG-CD1 4.15Å; F95-Y504 AromaticContact CG-CD2 3.43Å; F95-Y504 HydrophobicContact CG-CD2 3.43Å; F95-Y504 VanDerWaalsContact CG-CD2 3.43Å; F95-Y504 AromaticContact CG-CE2 3.91Å; F95-Y504 HydrophobicContact CG-CE2 3.91Å; F95-Y504 AromaticContact CG-CG 3.55Å; F95-Y504 HydrophobicContact CG-CG 3.55Å; F95-Y504 HydrophobicContact CZ-CD1 4.38Å; F95-Y504 HydrophobicContact CZ-CG 4.33Å; F95-A510 HydrophobicContact CE1-CB 4.41Å; F95-A510 HydrophobicContact CE2-CB 4.31Å; F95-A510 HydrophobicContact CZ-CB 3.66Å; F95-T511 HydrophobicContact CD1-CG2 4.37Å; F95-T511 HydrophobicContact CE1-CG2 3.83Å
96	L	94.6	Very high	95.6	Very high	28 Å²	28	16.2 Å²	16.2	15%	0.147	10%	0.096	C	C	.	.	H	α-helix	trans	-61.3	-30.6	177.8	-68.2	173.9	0	0	0	113.4	P92 M93 Y116 L119 W120 F275	P92-L96 WeakPolarHBondContact O-CG 3.38Å; P92-L96 PolarHBondContact O-N 3.41Å; M93-L96 PolarHBondContact O-N 2.92Å; L96-Y116 HydrophobicContact CD1-CD1 4.43Å; L96-Y116 HydrophobicContact CD2-CD1 4.39Å; L96-L119 HydrophobicContact CD1-CB 3.71Å; L96-L119 HydrophobicContact CD1-CD1 3.88Å; L96-L119 HydrophobicContact CD1-CG 4.48Å; L96-W120 HydrophobicContact CB-CZ2 4.25Å; L96-W120 HydrophobicContact CD1-CZ2 4.46Å; L96-W120 HydrophobicContact CD2-CZ2 4.06Å; L96-W120 HydrophobicContact CG-CZ2 4.5Å; L96-F275 HydrophobicContact CD2-CD1 4.32Å; L96-F275 HydrophobicContact CD2-CE1 3.73Å; L96-F275 HydrophobicContact CD2-CZ 4.16Å
97	L	92.8	Very high	95.5	Very high	36 Å²	36	16.2 Å²	16.2	19%	0.188	10%	0.096	C	C	.	.	H	α-helix	trans	-90.1	-32.5	-179.8	-63.8	-175.9	0	0	0	114.6	M93 H94 F95 A123 A126 C127 V140 F481	M93-L97 HydrophobicContact CG-CD1 4.23Å; M93-L97 HydrophobicContact CG-CG 4.37Å; M93-L97 WeakPolarHBondContact O-CG 2.92Å; M93-L97 PolarHBondContact O-N 3.49Å; H94-L97 PolarHBondContact O-N 3.09Å; F95-L97 VanDerWaalsContact C-N 3.25Å; F95-L97 PolarHBondContact O-N 3.34Å; L97-A123 HydrophobicContact CD2-CB 4.32Å; L97-A126 HydrophobicContact CD1-CB 3.71Å; L97-C127 WeakPolarHBondContact CD2-SG 3.04Å; L97-V140 HydrophobicContact CD1-CG1 4.31Å; L97-F481 HydrophobicContact CD1-CE1 3.97Å; L97-F481 HydrophobicContact CD1-CZ 3.78Å
98	Y	91.7	Very high	95.5	Very high	65 Å²	65	16.1 Å²	16.1	26%	0.255	10%	0.096	S	C	.	.	H	α-helix	trans	-131.3	9.9	-169.1	-54.3	-70.5	0	0	0	114.5	H94 F95 T100 K137 F481	H94-Y98 AromaticContact CD2-CD2 3.55Å; H94-Y98 AromaticContact CD2-CE2 3.95Å; H94-Y98 AromaticContact CE1-CD2 3.86Å; H94-Y98 AromaticContact CG-CD2 3.85Å; H94-Y98 AromaticContact NE2-CD2 3.59Å; H94-Y98 WeakPolarHBondContact O-CB 3.32Å; H94-Y98 PolarHBondContact O-N 3.04Å; F95-Y98 PolarHBondContact O-N 3.16Å; Y98-T100 PolarHBondContact O-N 3.16Å; Y98-T100 PolarHBondContact O-OG1 3.09Å; Y98-K137 HydrophobicContact CD1-CD 4.35Å; Y98-K137 HydrophobicContact CD2-CD 4.05Å; Y98-K137 HydrophobicContact CE1-CD 4.18Å; Y98-K137 HydrophobicContact CE1-CG 4.07Å; Y98-K137 HydrophobicContact CE2-CD 3.85Å; Y98-K137 HydrophobicContact CE2-CG 4.02Å; Y98-K137 HydrophobicContact CG-CD 4.3Å; Y98-F481 AromaticContact CE2-CD1 3.96Å; Y98-F481 HydrophobicContact CE2-CD1 3.96Å; Y98-F481 AromaticContact CE2-CE1 3.61Å; Y98-F481 HydrophobicContact CE2-CE1 3.61Å; Y98-F481 HydrophobicContact CE2-CZ 4.3Å
99	G	92.3	Very high	95.4	Very high	49 Å²	49	16.4 Å²	16.4	51%	0.505	10%	0.098	S	C	.	.	S	Bend	trans	63.2	13.8	177.8	0	0	0	0	0	115.1	F95	F95-G99 VanDerWaalsContact CD2-C 3.48Å; F95-G99 WeakPolarHBondContact CE2-O 3.33Å; F95-G99 VanDerWaalsContact O-CA 3.29Å; F95-G99 WeakPolarHBondContact O-CA 3.42Å; F95-G99 PolarHBondContact O-N 3.43Å
100	T	93.1	Very high	95.2	Very high	65 Å²	65	20.5 Å²	20.5	40%	0.399	12%	0.12	S	C	.	.			trans	-144.4	140.8	-176.9	46.9	0	0	0	0	109.7	H94 F95 Y98	H94-T100 CarbonylContact C-O 3.55Å; H94-T100 VanDerWaalsContact C-O 3.23Å; H94-T100 PolarHBondContact ND1-O 2.94Å; F95-T100 WeakPolarHBondContact CA-O 3.35Å; F95-T100 PolarHBondContact N-O 2.98Å; F95-T100 VanDerWaalsContact N-O 3.14Å; Y98-T100 PolarHBondContact O-N 3.16Å; Y98-T100 PolarHBondContact O-OG1 3.09Å
101	G	95	Very high	95	Very high	12 Å²	12	22.7 Å²	22.7	12%	0.124	13%	0.128	C	C	.	.			trans	161.6	174.6	-179.4	0	0	0	0	0	111.6	P503 Y504	G101-P503 CarbonylContact O-C 3.57Å; G101-P503 WeakPolarHBondContact O-CA 3.42Å; G101-Y504 PolarHBondContact O-N 3.38Å
102	M	96.2	Very high	94.8	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.039	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	153.5	176.1	-62.5	-66.2	-179.5	0	0	112.8	F87 E91 L489 F491 P501 Q502 P503 Y504	F87-M102 HydrophobicContact CD1-CB 4.05Å; F87-M102 HydrophobicContact CD1-CG 4.41Å; F87-M102 HydrophobicContact CE1-CB 4.5Å; F87-M102 HydrophobicContact CE1-CG 4.37Å; E91-M102 HydrophobicContact CB-CB 3.94Å; E91-M102 WeakPolarHBondContact CB-O 3.36Å; E91-M102 HydrophobicContact CG-CB 4.1Å; M102-L489 HydrophobicContact CE-CB 3.81Å; M102-L489 HydrophobicContact CE-CD2 4.13Å; M102-L489 HydrophobicContact CE-CG 4.16Å; M102-L489 WeakPolarHBondContact CE-O 3.49Å; M102-F491 HydrophobicContact CE-CE2 4.03Å; M102-F491 HydrophobicContact CE-CZ 4.41Å; M102-F491 HydrophobicContact SD-CE2 4.28Å; M102-P501 HydrophobicContact CB-CB 4.05Å; M102-Q502 CarbonylContact C-O 3.48Å; M102-Q502 VanDerWaalsContact CA-O 3.25Å; M102-Q502 WeakPolarHBondContact CA-O 3.48Å; M102-P503 HydrophobicContact CE-CG 4.17Å; M102-P503 HydrophobicContact SD-CB 4.46Å; M102-P503 HydrophobicContact SD-CG 3.99Å; M102-Y504 WeakPolarHBondContact O-CE2 3.45Å
103	Q	96.1	Very high	94.7	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.3	171.3	47.2	174.6	-18.4	0	0	111.4	P501 Q502 P503 Y504	Q103-P501 WeakPolarHBondContact O-CA 3.26Å; Q103-Q502 HydrophobicContact CG-CG 3.84Å; Q103-Q502 WeakPolarHBondContact CG-O 3.35Å; Q103-Q502 PolarHBondContact N-O 3.25Å; Q103-Q502 PolarHBondContact O-N 3.29Å; Q103-P503 PolarHBondContact NE2-O 2.85Å; Q103-Y504 HydrophobicContact CB-CD1 4.45Å; Q103-Y504 HydrophobicContact CB-CD2 4.04Å; Q103-Y504 HydrophobicContact CB-CE1 4.05Å; Q103-Y504 HydrophobicContact CB-CE2 3.62Å; Q103-Y504 HydrophobicContact CB-CG 4.45Å; Q103-Y504 HydrophobicContact CG-CD1 4.22Å; Q103-Y504 HydrophobicContact CG-CD2 4.15Å; Q103-Y504 HydrophobicContact CG-CE1 4.27Å; Q103-Y504 HydrophobicContact CG-CE2 4.23Å; Q103-Y504 HydrophobicContact CG-CG 4.17Å
104	T	96.1	Very high	94.7	Very high	15 Å²	15	24.6 Å²	24.6	9%	0.092	14%	0.136	C	C	.	.			trans	-87	174.7	167.7	62.4	0	0	0	0	110.9	F87 N88 E106 Y107 M518	F87-T104 HydrophobicContact CB-CG2 4.1Å; N88-T104 WeakPolarHBondContact ND2-CG2 3.3Å; N88-T104 WeakPolarHBondContact OD1-CG2 3.5Å; N88-T104 PolarHBondContact OD1-OG1 3.39Å; T104-E106 PolarHBondContact O-N 3.22Å; T104-E106 PolarHBondContact OG1-N 3.3Å; T104-Y107 PolarHBondContact O-N 2.81Å; T104-M518 VanDerWaalsContact C-CE 3.42Å; T104-M518 WeakPolarHBondContact O-CE 3.42Å
105	W	94.4	Very high	94.7	Very high	10 Å²	10	25.1 Å²	25.1	4%	0.038	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-63	-24.4	172.2	66.1	-94.7	0	0	0	112.6	Y107 S108 Y111 I113 Y289 Y300 M518 D520	W105-Y107 VanDerWaalsContact C-N 3.26Å; W105-Y107 PolarHBondContact O-N 3.39Å; W105-S108 WeakPolarHBondContact O-CB 3.39Å; W105-S108 PolarHBondContact O-N 3.23Å; W105-Y111 HydrophobicContact CE3-CD1 4.22Å; W105-Y111 AromaticContact CE3-CD2 3.6Å; W105-Y111 HydrophobicContact CE3-CD2 3.6Å; W105-Y111 AromaticContact CE3-CE2 4Å; W105-Y111 HydrophobicContact CE3-CE2 4Å; W105-Y111 AromaticContact CE3-CG 3.7Å; W105-Y111 HydrophobicContact CE3-CG 3.7Å; W105-Y111 HydrophobicContact CZ3-CD1 4.05Å; W105-Y111 HydrophobicContact CZ3-CD2 4.21Å; W105-Y111 AromaticContact CZ3-CG 3.82Å; W105-Y111 HydrophobicContact CZ3-CG 3.82Å; W105-Y111 WeakPolarHBondContact O-CD2 3.44Å; W105-I113 HydrophobicContact CH2-CD1 3.56Å; W105-I113 HydrophobicContact CZ2-CD1 4.32Å; W105-I113 HydrophobicContact CZ3-CD1 3.96Å; W105-Y289 HydrophobicContact CH2-CD1 4.27Å; W105-Y289 HydrophobicContact CH2-CD2 4.37Å; W105-Y289 AromaticContact CH2-CE1 3.69Å; W105-Y289 HydrophobicContact CH2-CE1 3.69Å; W105-Y289 AromaticContact CH2-CE2 3.79Å; W105-Y289 HydrophobicContact CH2-CE2 3.79Å; W105-Y289 AromaticContact CH2-CZ 3.42Å; W105-Y289 VanDerWaalsContact CH2-CZ 3.42Å; W105-Y289 HydrophobicContact CZ2-CE1 4.2Å; W105-Y289 AromaticContact CZ2-CZ 3.97Å; W105-Y289 HydrophobicContact CZ3-CE2 4.32Å; W105-Y300 WeakPolarHBondContact CZ2-OH 3.27Å; W105-Y300 PolarHBondContact NE1-OH 3.28Å; W105-M518 VanDerWaalsContact CA-SD 3.58Å; W105-M518 HydrophobicContact CB-CB 4.11Å; W105-M518 HydrophobicContact CB-CG 4.38Å; W105-M518 HydrophobicContact CB-SD 4.17Å; W105-D520 HydrophobicContact CD2-CB 4.38Å; W105-D520 HydrophobicContact CE3-CB 3.87Å; W105-D520 HydrophobicContact CH2-CB 4.02Å; W105-D520 HydrophobicContact CZ3-CB 3.67Å
106	E	94.9	Very high	94.8	Very high	15 Å²	15	24.1 Å²	24.1	7%	0.07	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-70.3	-23	-176.8	-53.5	-178.4	121.8	0	0	113.4	N88 T104 I113 R114	N88-E106 PolarHBondContact ND2-OE2 2.76Å; N88-E106 PolarHBondContact OD1-OE2 3.47Å; N88-E106 VanDerWaalsContact OD1-OE2 3.06Å; T104-E106 PolarHBondContact O-N 3.22Å; T104-E106 PolarHBondContact OG1-N 3.3Å; E106-I113 HydrophobicContact CB-CD1 4.1Å; E106-I113 HydrophobicContact CB-CG1 3.62Å; E106-I113 HydrophobicContact CG-CD1 3.87Å; E106-I113 HydrophobicContact CG-CG1 3.99Å; E106-I113 PolarHBondContact O-N 3.35Å; E106-I113 VanDerWaalsContact O-N 3.12Å; E106-R114 HydrophobicContact CB-CG 3.73Å; E106-R114 VanDerWaalsContact CD-NE 3.29Å; E106-R114 IonicContact OE1-CZ 3.35Å; E106-R114 IonicContact OE1-NE 2.76Å; E106-R114 PolarHBondContact OE1-NE 3.24Å; E106-R114 IonicContact OE1-NH2 3.08Å; E106-R114 PolarHBondContact OE1-NH2 3.42Å; E106-R114 IonicContact OE2-CZ 3.49Å; E106-R114 IonicContact OE2-NE 3.3Å; E106-R114 PolarHBondContact OE2-NE 3.12Å; E106-R114 IonicContact OE2-NH2 3.62Å; E106-R114 PolarHBondContact OE2-NH2 3.28Å
107	Y	96.2	Very high	94.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-91.3	0.7	171.6	-82.1	-77.4	0	0	0	113.9	N88 P92 T104 W105 R114 Y116 L119 Y276	N88-Y107 HydrophobicContact CB-CE2 4.24Å; N88-Y107 WeakPolarHBondContact O-CE2 3.25Å; N88-Y107 PolarHBondContact O-OH 3.38Å; N88-Y107 WeakPolarHBondContact OD1-CD2 3.4Å; N88-Y107 VanDerWaalsContact OD1-CE2 3.28Å; N88-Y107 WeakPolarHBondContact OD1-CE2 3.09Å; P92-Y107 HydrophobicContact CB-CE2 4.32Å; P92-Y107 HydrophobicContact CG-CD2 4.05Å; P92-Y107 HydrophobicContact CG-CE2 3.74Å; T104-Y107 PolarHBondContact O-N 2.81Å; W105-Y107 VanDerWaalsContact C-N 3.26Å; W105-Y107 PolarHBondContact O-N 3.39Å; Y107-R114 HydrophobicContact CD1-CB 4.17Å; Y107-R114 HydrophobicContact CD2-CB 4.06Å; Y107-R114 HydrophobicContact CD2-CG 4.15Å; Y107-R114 HydrophobicContact CE1-CB 3.7Å; Y107-R114 HydrophobicContact CE2-CB 3.56Å; Y107-R114 HydrophobicContact CE2-CG 3.75Å; Y107-R114 HydrophobicContact CG-CB 4.35Å; Y107-Y116 HydrophobicContact CD1-CD2 4.4Å; Y107-Y116 AromaticContact CD1-CE1 3.96Å; Y107-Y116 HydrophobicContact CD1-CE1 3.96Å; Y107-Y116 AromaticContact CD1-CE2 3.81Å; Y107-Y116 HydrophobicContact CD1-CE2 3.81Å; Y107-Y116 AromaticContact CD1-CZ 3.54Å; Y107-Y116 HydrophobicContact CE1-CD1 4.35Å; Y107-Y116 HydrophobicContact CE1-CD2 4.49Å; Y107-Y116 HydrophobicContact CE1-CE1 4.15Å; Y107-Y116 HydrophobicContact CE1-CE2 4.33Å; Y107-L119 HydrophobicContact CE1-CD1 3.83Å; Y107-Y276 WeakPolarHBondContact O-CE1 3.19Å
108	S	95.4	Very high	95.1	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.014	13%	0.127	C	C	.	.	S	Bend	trans	-66.7	135	169.2	173.6	0	0	0	0	110.5	W105 L110 Y111 A112 P515	W105-S108 WeakPolarHBondContact O-CB 3.39Å; W105-S108 PolarHBondContact O-N 3.23Å; S108-L110 PolarHBondContact O-N 3.44Å; S108-L110 WeakPolarHBondContact OG-CB 3.47Å; S108-L110 PolarHBondContact OG-N 2.88Å; S108-Y111 PolarHBondContact O-N 3.27Å; S108-Y111 VanDerWaalsContact O-N 3.12Å; S108-A112 PolarHBondContact O-N 3.3Å; S108-P515 WeakPolarHBondContact OG-CD 3.48Å
109	P	95.3	Very high	95.4	Very high	7 Å²	7	19 Å²	19	5%	0.045	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-10	169.6	-23.9	32.2	0	0	0	115.4	Y276 K278 T511 I513 I514	P109-Y276 HydrophobicContact CB-CD1 4.18Å; P109-Y276 HydrophobicContact CG-CD1 4.12Å; P109-K278 WeakPolarHBondContact O-CE 3.43Å; P109-K278 PolarHBondContact O-NZ 3.27Å; P109-T511 WeakPolarHBondContact CG-O 3.37Å; P109-I513 WeakPolarHBondContact CD-O 3.27Å; P109-I514 HydrophobicContact CB-CG1 3.88Å; P109-I514 HydrophobicContact CG-CG1 4.35Å
110	L	93.9	Very high	95.6	Very high	93 Å²	93	19.7 Å²	19.7	49%	0.487	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-59.3	168.2	-178	56	0	0	0	110	S108 K278 I514	S108-L110 PolarHBondContact O-N 3.44Å; S108-L110 WeakPolarHBondContact OG-CB 3.47Å; S108-L110 PolarHBondContact OG-N 2.88Å; L110-K278 PolarHBondContact O-NZ 2.9Å; L110-I514 HydrophobicContact CB-CG2 4.31Å
111	Y	92.9	Very high	95.6	Very high	47 Å²	47	20.4 Å²	20.4	18%	0.184	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-46.7	-171.6	-54.6	-77.4	0	0	0	113.6	W105 S108 I113 D520	W105-Y111 HydrophobicContact CE3-CD1 4.22Å; W105-Y111 AromaticContact CE3-CD2 3.6Å; W105-Y111 HydrophobicContact CE3-CD2 3.6Å; W105-Y111 AromaticContact CE3-CE2 4Å; W105-Y111 HydrophobicContact CE3-CE2 4Å; W105-Y111 AromaticContact CE3-CG 3.7Å; W105-Y111 HydrophobicContact CE3-CG 3.7Å; W105-Y111 HydrophobicContact CZ3-CD1 4.05Å; W105-Y111 HydrophobicContact CZ3-CD2 4.21Å; W105-Y111 AromaticContact CZ3-CG 3.82Å; W105-Y111 HydrophobicContact CZ3-CG 3.82Å; W105-Y111 WeakPolarHBondContact O-CD2 3.44Å; S108-Y111 PolarHBondContact O-N 3.27Å; S108-Y111 VanDerWaalsContact O-N 3.12Å; Y111-I113 PolarHBondContact O-N 2.98Å; Y111-D520 HydrophobicContact CD1-CB 4.1Å; Y111-D520 HydrophobicContact CE1-CB 3.47Å; Y111-D520 VanDerWaalsContact CE1-CB 3.47Å; Y111-D520 VanDerWaalsContact CE1-OD1 3.31Å; Y111-D520 WeakPolarHBondContact CE1-OD1 3.46Å; Y111-D520 HydrophobicContact CE2-CB 4.46Å; Y111-D520 VanDerWaalsContact CZ-OD1 3.32Å; Y111-D520 PolarHBondContact OH-N 2.84Å; Y111-D520 PolarHBondContact OH-OD1 3.41Å
112	A	95	Very high	95.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.			trans	47.6	56.2	176.6	0	0	0	0	0	114.5	S108 Y276 V280 N285	S108-A112 PolarHBondContact O-N 3.3Å; A112-Y276 HydrophobicContact CB-CD1 3.75Å; A112-Y276 HydrophobicContact CB-CD2 3.96Å; A112-Y276 HydrophobicContact CB-CE1 3.52Å; A112-Y276 HydrophobicContact CB-CE2 3.78Å; A112-Y276 HydrophobicContact CB-CG 3.95Å; A112-V280 HydrophobicContact CB-CG1 4.01Å; A112-V280 HydrophobicContact CB-CG2 3.82Å; A112-N285 PolarHBondContact O-ND2 3.19Å
113	I	94.4	Very high	95.5	Very high	10 Å²	10	20.4 Å²	20.4	5%	0.051	10%	0.1	C	C	.	.			trans	-100.2	-8.6	-177.7	71.5	171.8	0	0	0	114.1	W105 E106 Y111 N285 I286 Y289	W105-I113 HydrophobicContact CH2-CD1 3.56Å; W105-I113 HydrophobicContact CZ2-CD1 4.32Å; W105-I113 HydrophobicContact CZ3-CD1 3.96Å; E106-I113 HydrophobicContact CB-CD1 4.1Å; E106-I113 HydrophobicContact CB-CG1 3.62Å; E106-I113 HydrophobicContact CG-CD1 3.87Å; E106-I113 HydrophobicContact CG-CG1 3.99Å; E106-I113 PolarHBondContact O-N 3.35Å; E106-I113 VanDerWaalsContact O-N 3.12Å; Y111-I113 PolarHBondContact O-N 2.98Å; I113-N285 HydrophobicContact CG2-CB 4.02Å; I113-I286 HydrophobicContact CB-CB 4.22Å; I113-Y289 HydrophobicContact CD1-CD1 4.1Å; I113-Y289 HydrophobicContact CD1-CG 4.48Å
114	R	95.8	Very high	95.3	Very high	29 Å²	29	25.1 Å²	25.1	11%	0.109	13%	0.125	C	C	.	.	S	Bend	trans	-105.6	158.2	170.4	-56.6	-70.5	179.3	160.8	-1.2	110.4	D84 Y89 E106 Y107 Y276	D84-R114 IonicContact OD1-NH2 3.94Å; D84-R114 IonicContact OD2-CZ 3.11Å; D84-R114 IonicContact OD2-NH1 2.74Å; D84-R114 IonicContact OD2-NH2 3.76Å; D84-R114 PolarHBondContact OD2-NH2 2.96Å; Y89-R114 WeakPolarHBondContact OH-CD 3.42Å; Y89-R114 PolarHBondContact OH-NH1 3.1Å; E106-R114 HydrophobicContact CB-CG 3.73Å; E106-R114 VanDerWaalsContact CD-NE 3.29Å; E106-R114 IonicContact OE1-CZ 3.35Å; E106-R114 IonicContact OE1-NE 2.76Å; E106-R114 PolarHBondContact OE1-NE 3.24Å; E106-R114 IonicContact OE1-NH2 3.08Å; E106-R114 PolarHBondContact OE1-NH2 3.42Å; E106-R114 IonicContact OE2-CZ 3.49Å; E106-R114 IonicContact OE2-NE 3.3Å; E106-R114 PolarHBondContact OE2-NE 3.12Å; E106-R114 IonicContact OE2-NH2 3.62Å; E106-R114 PolarHBondContact OE2-NH2 3.28Å; Y107-R114 HydrophobicContact CD1-CB 4.17Å; Y107-R114 HydrophobicContact CD2-CB 4.06Å; Y107-R114 HydrophobicContact CD2-CG 4.15Å; Y107-R114 HydrophobicContact CE1-CB 3.7Å; Y107-R114 HydrophobicContact CE2-CB 3.56Å; Y107-R114 HydrophobicContact CE2-CG 3.75Å; Y107-R114 HydrophobicContact CG-CB 4.35Å; R114-Y276 WeakPolarHBondContact O-CE2 3.45Å; R114-Y276 PolarHBondContact O-OH 3.48Å
115	S	96.9	Very high	94.9	Very high	13 Å²	13	26.2 Å²	26.2	9%	0.091	13%	0.132	C	C	.	.			trans	-107.5	126.1	-175.2	-179.7	0	0	0	0	111.7	A117 Y118 L119 D272	S115-A117 VanDerWaalsContact C-N 3.32Å; S115-A117 WeakPolarHBondContact OG-CB 3.37Å; S115-A117 PolarHBondContact OG-N 3.04Å; S115-Y118 PolarHBondContact OG-N 2.92Å; S115-L119 PolarHBondContact O-N 3.44Å; S115-D272 WeakPolarHBondContact CA-OD1 3.29Å; S115-D272 VanDerWaalsContact CB-OD2 3.25Å; S115-D272 WeakPolarHBondContact CB-OD2 3.48Å; S115-D272 PolarHBondContact OG-OD1 3.21Å; S115-D272 PolarHBondContact OG-OD2 2.81Å
116	Y	97.3	Very high	94.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-72.2	-28.2	167.6	-73.5	-81.3	0	0	0	111.2	L96 Y107 Y118 L119 W120 D272 F275 Y276 Y504 T511	L96-Y116 HydrophobicContact CD1-CD1 4.43Å; L96-Y116 HydrophobicContact CD2-CD1 4.39Å; Y107-Y116 HydrophobicContact CD1-CD2 4.4Å; Y107-Y116 AromaticContact CD1-CE1 3.96Å; Y107-Y116 HydrophobicContact CD1-CE1 3.96Å; Y107-Y116 AromaticContact CD1-CE2 3.81Å; Y107-Y116 HydrophobicContact CD1-CE2 3.81Å; Y107-Y116 AromaticContact CD1-CZ 3.54Å; Y107-Y116 HydrophobicContact CE1-CD1 4.35Å; Y107-Y116 HydrophobicContact CE1-CD2 4.49Å; Y107-Y116 HydrophobicContact CE1-CE1 4.15Å; Y107-Y116 HydrophobicContact CE1-CE2 4.33Å; Y116-Y118 VanDerWaalsContact C-N 3.32Å; Y116-Y118 PolarHBondContact O-N 3.45Å; Y116-L119 HydrophobicContact CD1-CD1 3.87Å; Y116-L119 HydrophobicContact CE1-CD1 4.33Å; Y116-L119 WeakPolarHBondContact O-CB 3.37Å; Y116-L119 PolarHBondContact O-N 2.91Å; Y116-W120 VanDerWaalsContact O-CD1 3.24Å; Y116-W120 PolarHBondContact O-N 2.72Å; Y116-D272 WeakPolarHBondContact CA-OD1 3.48Å; Y116-D272 PolarHBondContact N-OD1 2.84Å; Y116-F275 HydrophobicContact CD1-CB 4.18Å; Y116-F275 HydrophobicContact CD1-CD1 4.31Å; Y116-F275 HydrophobicContact CD1-CG 4.15Å; Y116-F275 HydrophobicContact CD2-CB 3.43Å; Y116-F275 VanDerWaalsContact CD2-CB 3.43Å; Y116-F275 HydrophobicContact CD2-CG 4.23Å; Y116-F275 HydrophobicContact CE2-CB 3.94Å; Y116-F275 HydrophobicContact CG-CB 3.56Å; Y116-F275 HydrophobicContact CG-CD1 4.45Å; Y116-F275 HydrophobicContact CG-CD2 4.29Å; Y116-F275 AromaticContact CG-CG 3.84Å; Y116-F275 HydrophobicContact CG-CG 3.84Å; Y116-Y276 HydrophobicContact CD2-CD2 4.07Å; Y116-Y276 HydrophobicContact CD2-CE1 4.4Å; Y116-Y276 AromaticContact CD2-CE2 3.7Å; Y116-Y276 HydrophobicContact CD2-CE2 3.7Å; Y116-Y276 AromaticContact CD2-CZ 3.9Å; Y116-Y276 HydrophobicContact CE2-CD1 4.06Å; Y116-Y276 HydrophobicContact CE2-CD2 4.23Å; Y116-Y276 AromaticContact CE2-CE1 3.7Å; Y116-Y276 HydrophobicContact CE2-CE1 3.7Å; Y116-Y276 AromaticContact CE2-CE2 3.86Å; Y116-Y276 HydrophobicContact CE2-CE2 3.86Å; Y116-Y276 HydrophobicContact CE2-CG 4.33Å; Y116-Y276 AromaticContact CE2-CZ 3.58Å; Y116-Y504 PolarHBondContact OH-OH 2.97Å; Y116-Y504 VanDerWaalsContact OH-OH 3.1Å; Y116-T511 HydrophobicContact CE1-CG2 3.72Å
117	A	97.3	Very high	94	Very high	17 Å²	17	26.9 Å²	26.9	14%	0.14	14%	0.14	C	C	.	.	H	α-helix	trans	-61.8	-39.4	172.5	0	0	0	0	0	112.1	S115 W120 L121 L268 V271 D272	S115-A117 VanDerWaalsContact C-N 3.32Å; S115-A117 WeakPolarHBondContact OG-CB 3.37Å; S115-A117 PolarHBondContact OG-N 3.04Å; A117-W120 PolarHBondContact O-N 3.03Å; A117-L121 PolarHBondContact O-N 2.83Å; A117-L268 HydrophobicContact CB-CB 4.16Å; A117-L268 HydrophobicContact CB-CD1 4.45Å; A117-L268 HydrophobicContact CB-CG 3.93Å; A117-V271 HydrophobicContact CB-CB 3.93Å; A117-V271 HydrophobicContact CB-CG1 3.93Å; A117-D272 PolarHBondContact N-OD1 3.49Å
118	Y	97.3	Very high	93.3	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.02	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-43	172.2	180	-97.8	0	0	0	111.9	Y89 S115 Y116 W120 L121 H122 F192 L193 P194 F197 V227	Y89-Y118 AromaticContact CD1-CD1 3.75Å; Y89-Y118 HydrophobicContact CD1-CD1 3.75Å; Y89-Y118 AromaticContact CD1-CE1 3.52Å; Y89-Y118 HydrophobicContact CD1-CE1 3.52Å; Y89-Y118 AromaticContact CE1-CD1 3.6Å; Y89-Y118 HydrophobicContact CE1-CD1 3.6Å; Y89-Y118 AromaticContact CE1-CE1 3.57Å; Y89-Y118 HydrophobicContact CE1-CE1 3.57Å; S115-Y118 PolarHBondContact OG-N 2.92Å; Y116-Y118 VanDerWaalsContact C-N 3.32Å; Y116-Y118 PolarHBondContact O-N 3.45Å; Y118-W120 PolarHBondContact O-N 3.48Å; Y118-L121 WeakPolarHBondContact O-CB 3.17Å; Y118-L121 PolarHBondContact O-N 3.32Å; Y118-H122 AromaticContact CE2-NE2 3.72Å; Y118-H122 AromaticContact CZ-CD2 3.91Å; Y118-H122 AromaticContact CZ-NE2 3.78Å; Y118-H122 PolarHBondContact O-CD2 2.75Å; Y118-F192 HydrophobicContact CD1-CE2 4.46Å; Y118-F192 HydrophobicContact CE1-CD2 4.25Å; Y118-F192 AromaticContact CE1-CE2 3.71Å; Y118-F192 HydrophobicContact CE1-CE2 3.71Å; Y118-L193 VanDerWaalsContact OH-C 3.25Å; Y118-L193 PolarHBondContact OH-O 3.38Å; Y118-P194 HydrophobicContact CD1-CG 4.42Å; Y118-P194 HydrophobicContact CE1-CG 3.93Å; Y118-P194 HydrophobicContact CE2-CB 4.48Å; Y118-P194 HydrophobicContact CE2-CG 4.46Å; Y118-F197 HydrophobicContact CE2-CB 3.88Å; Y118-F197 HydrophobicContact CE2-CD1 4.3Å; Y118-F197 HydrophobicContact CE2-CD2 4.31Å; Y118-F197 AromaticContact CE2-CG 3.92Å; Y118-F197 HydrophobicContact CE2-CG 3.92Å; Y118-V227 HydrophobicContact CD2-CG1 4.29Å; Y118-V227 WeakPolarHBondContact CD2-O 3.35Å
119	L	97.1	Very high	92.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60	-46.5	174.1	-61.8	174.5	0	0	0	111.3	Y89 P92 L96 Y107 S115 Y116 L121 H122 A123 F192	Y89-L119 HydrophobicContact CD1-CD2 3.98Å; P92-L119 HydrophobicContact CB-CD1 3.44Å; P92-L119 VanDerWaalsContact CB-CD1 3.44Å; P92-L119 HydrophobicContact CB-CD2 4.22Å; P92-L119 HydrophobicContact CB-CG 4.49Å; L96-L119 HydrophobicContact CD1-CB 3.71Å; L96-L119 HydrophobicContact CD1-CD1 3.88Å; L96-L119 HydrophobicContact CD1-CG 4.48Å; Y107-L119 HydrophobicContact CE1-CD1 3.83Å; S115-L119 PolarHBondContact O-N 3.44Å; Y116-L119 HydrophobicContact CD1-CD1 3.87Å; Y116-L119 HydrophobicContact CE1-CD1 4.33Å; Y116-L119 WeakPolarHBondContact O-CB 3.37Å; Y116-L119 PolarHBondContact O-N 2.91Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 PolarHBondContact O-N 3.22Å; L119-H122 CarbonylContact O-C 3.23Å; L119-H122 PolarHBondContact O-N 2.92Å; L119-H122 VanDerWaalsContact O-N 3.08Å; L119-A123 WeakPolarHBondContact O-CB 3.31Å; L119-A123 PolarHBondContact O-N 2.67Å; L119-F192 HydrophobicContact CD2-CZ 4.17Å
120	W	95.8	Very high	91.8	Very high	63 Å²	63	34.8 Å²	34.8	24%	0.239	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-33.4	-178.7	-84.3	108.8	0	0	0	114.1	L96 Y116 A117 Y118 H122 A123 L124 F275	L96-W120 HydrophobicContact CB-CZ2 4.25Å; L96-W120 HydrophobicContact CD1-CZ2 4.46Å; L96-W120 HydrophobicContact CD2-CZ2 4.06Å; L96-W120 HydrophobicContact CG-CZ2 4.5Å; Y116-W120 VanDerWaalsContact O-CD1 3.24Å; Y116-W120 PolarHBondContact O-N 2.72Å; A117-W120 PolarHBondContact O-N 3.03Å; Y118-W120 PolarHBondContact O-N 3.48Å; W120-H122 PolarHBondContact O-N 3.39Å; W120-A123 HydrophobicContact CE3-CB 4.06Å; W120-A123 HydrophobicContact CZ3-CB 4.4Å; W120-A123 PolarHBondContact O-N 2.86Å; W120-L124 HydrophobicContact CE3-CD2 4.26Å; W120-L124 HydrophobicContact CE3-CG 4.21Å; W120-L124 WeakPolarHBondContact O-CB 3.32Å; W120-L124 VanDerWaalsContact O-CG 3.27Å; W120-L124 WeakPolarHBondContact O-CG 3.38Å; W120-L124 PolarHBondContact O-N 2.75Å; W120-F275 AromaticContact CD1-CE2 3.64Å; W120-F275 AromaticContact CE2-CZ 3.84Å; W120-F275 HydrophobicContact CZ2-CZ 4.07Å; W120-F275 AromaticContact NE1-CE2 3.11Å; W120-F275 AromaticContact NE1-CZ 3.09Å
121	L	95.2	Very high	90.9	Very high	81 Å²	81	38.3 Å²	38.3	42%	0.424	20%	0.197	S	C	.	.	H	α-helix	trans	-54.6	-34.6	172.7	-179.6	61.6	0	0	0	112.4	A117 Y118 L119 F197 V227	A117-L121 PolarHBondContact O-N 2.83Å; Y118-L121 WeakPolarHBondContact O-CB 3.17Å; Y118-L121 PolarHBondContact O-N 3.32Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 PolarHBondContact O-N 3.22Å; L121-F197 HydrophobicContact CD2-CD2 4.42Å; L121-F197 HydrophobicContact CD2-CE2 3.62Å; L121-F197 HydrophobicContact CD2-CZ 3.89Å; L121-V227 HydrophobicContact CD2-CG1 3.99Å
122	H	94.6	Very high	89.7	Confident	19 Å²	19	41.1 Å²	41.1	9%	0.088	22%	0.219	C	C	.	.	H	α-helix	trans	-99.7	-26.1	-179.7	-64.3	-70.1	0	0	0	113.4	Y118 L119 W120 P125 F192 F197	Y118-H122 AromaticContact CE2-NE2 3.72Å; Y118-H122 AromaticContact CZ-CD2 3.91Å; Y118-H122 AromaticContact CZ-NE2 3.78Å; Y118-H122 PolarHBondContact O-CD2 2.75Å; L119-H122 CarbonylContact O-C 3.23Å; L119-H122 PolarHBondContact O-N 2.92Å; L119-H122 VanDerWaalsContact O-N 3.08Å; W120-H122 PolarHBondContact O-N 3.39Å; H122-P125 WeakPolarHBondContact O-CD 3.48Å; H122-F192 HydrophobicContact CB-CE2 3.65Å; H122-F192 HydrophobicContact CB-CZ 3.73Å; H122-F192 AromaticContact CD2-CE2 3.53Å; H122-F192 AromaticContact CG-CE2 3.62Å; H122-F197 AromaticContact NE2-CD2 3.99Å
123	A	93.3	Very high	88.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-74.7	-29.7	175.4	0	0	0	0	0	113.1	M93 L97 L119 W120 A126 C127	M93-A123 HydrophobicContact CG-CB 3.95Å; M93-A123 HydrophobicContact SD-CB 4.09Å; L97-A123 HydrophobicContact CD2-CB 4.32Å; L119-A123 WeakPolarHBondContact O-CB 3.31Å; L119-A123 PolarHBondContact O-N 2.67Å; W120-A123 HydrophobicContact CE3-CB 4.06Å; W120-A123 HydrophobicContact CZ3-CB 4.4Å; W120-A123 PolarHBondContact O-N 2.86Å; A123-A126 CarbonylContact O-C 3.6Å; A123-A126 WeakPolarHBondContact O-CA 3.47Å; A123-A126 VanDerWaalsContact O-CB 3.3Å; A123-A126 WeakPolarHBondContact O-CB 3.44Å; A123-A126 PolarHBondContact O-N 3.44Å; A123-C127 PolarHBondContact O-N 2.98Å; A123-C127 PolarHBondContact O-SG 2.8Å; A123-C127 VanDerWaalsContact O-SG 3.41Å
124	L	91.4	Very high	86.9	Confident	101 Å²	101	54.4 Å²	54.4	53%	0.529	28%	0.283	S	S	.	.	H	α-helix	trans	-57.9	-47.8	179.6	-79.2	169.4	0	0	0	113.4	W120 A126 C127 L128	W120-L124 HydrophobicContact CE3-CD2 4.26Å; W120-L124 HydrophobicContact CE3-CG 4.21Å; W120-L124 WeakPolarHBondContact O-CB 3.32Å; W120-L124 VanDerWaalsContact O-CG 3.27Å; W120-L124 WeakPolarHBondContact O-CG 3.38Å; W120-L124 PolarHBondContact O-N 2.75Å; L124-A126 VanDerWaalsContact C-N 3.28Å; L124-A126 PolarHBondContact O-N 2.96Å; L124-C127 PolarHBondContact O-N 2.91Å; L124-L128 WeakPolarHBondContact O-CG 3.41Å; L124-L128 PolarHBondContact O-N 2.9Å
125	P	87.8	Confident	85.6	Confident	38 Å²	38	54.5 Å²	54.5	25%	0.247	29%	0.287	C	S	.	.	H	α-helix	trans	-56.8	-38.7	168.5	-27	34.6	0	0	0	113.6	H122 L128 H129 F143 V147	H122-P125 WeakPolarHBondContact O-CD 3.48Å; P125-L128 PolarHBondContact O-N 2.8Å; P125-H129 PolarHBondContact O-N 2.83Å; P125-F143 HydrophobicContact CB-CE1 4.08Å; P125-F143 WeakPolarHBondContact O-CE1 3.01Å; P125-V147 HydrophobicContact CG-CG1 4.47Å
126	A	85.7	Confident	85	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.5	-40.9	179.7	0	0	0	0	0	112.3	L97 A123 L124 L128 H129 A130 V140 V144	L97-A126 HydrophobicContact CD1-CB 3.71Å; A123-A126 CarbonylContact O-C 3.6Å; A123-A126 WeakPolarHBondContact O-CA 3.47Å; A123-A126 VanDerWaalsContact O-CB 3.3Å; A123-A126 WeakPolarHBondContact O-CB 3.44Å; A123-A126 PolarHBondContact O-N 3.44Å; L124-A126 VanDerWaalsContact C-N 3.28Å; L124-A126 PolarHBondContact O-N 2.96Å; A126-L128 PolarHBondContact O-N 3.2Å; A126-H129 PolarHBondContact O-N 3.47Å; A126-A130 VanDerWaalsContact O-CB 3.24Å; A126-A130 WeakPolarHBondContact O-CB 3.47Å; A126-A130 PolarHBondContact O-N 2.89Å; A126-V140 HydrophobicContact CB-CG1 3.82Å; A126-V144 HydrophobicContact CB-CG2 3.73Å
127	C	85.8	Confident	84.7	Confident	40 Å²	40	57.6 Å²	57.6	27%	0.27	30%	0.302	S	S	.	.	H	α-helix	trans	-56.5	-48.5	172.6	-71.4	0	0	0	0	111.5	L97 A123 L124 A130 H131	L97-C127 WeakPolarHBondContact CD2-SG 3.04Å; A123-C127 PolarHBondContact O-N 2.98Å; A123-C127 PolarHBondContact O-SG 2.8Å; A123-C127 VanDerWaalsContact O-SG 3.41Å; L124-C127 PolarHBondContact O-N 2.91Å; C127-A130 PolarHBondContact O-N 3.28Å; C127-H131 WeakPolarHBondContact O-CB 3.14Å; C127-H131 PolarHBondContact O-N 2.88Å
128	L	81.8	Confident	84.4	Confident	121 Å²	121	57.8 Å²	57.8	63%	0.634	30%	0.302	S	S	*	.	H	α-helix	trans	-60.3	-47.5	178.7	-67.3	171	0	0	0	111	L124 P125 A126 V132	L124-L128 WeakPolarHBondContact O-CG 3.41Å; L124-L128 PolarHBondContact O-N 2.9Å; P125-L128 PolarHBondContact O-N 2.8Å; A126-L128 PolarHBondContact O-N 3.2Å; L128-V132 VanDerWaalsContact O-CB 3.22Å; L128-V132 WeakPolarHBondContact O-CB 3.42Å; L128-V132 VanDerWaalsContact O-CG2 3.23Å; L128-V132 WeakPolarHBondContact O-CG2 3.35Å; L128-V132 PolarHBondContact O-N 3.32Å
129	H	80	Confident	84.2	Confident	30 Å²	30	62 Å²	62	14%	0.139	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-44.1	178.6	-176.1	-86.2	0	0	0	113	P125 A126 L133 T135 F143	P125-H129 PolarHBondContact O-N 2.83Å; A126-H129 PolarHBondContact O-N 3.47Å; H129-L133 WeakPolarHBondContact O-CB 3.49Å; H129-L133 PolarHBondContact O-N 3.43Å; H129-T135 PolarHBondContact CE1-OG1 3.22Å; H129-T135 PolarHBondContact ND1-OG1 3.23Å; H129-T135 PolarHBondContact O-OG1 3.47Å; H129-F143 HydrophobicContact CB-CD1 3.71Å; H129-F143 HydrophobicContact CB-CE1 3.65Å; H129-F143 HydrophobicContact CB-CG 4.22Å; H129-F143 HydrophobicContact CB-CZ 4.09Å; H129-F143 AromaticContact CD2-CD1 3.86Å; H129-F143 AromaticContact CD2-CD2 3.29Å; H129-F143 WeakPolarHBondContact CD2-CD2 2.98Å; H129-F143 AromaticContact CD2-CE2 3.59Å; H129-F143 AromaticContact CD2-CG 3.44Å; H129-F143 VanDerWaalsContact CD2-CG 3.44Å; H129-F143 WeakPolarHBondContact CD2-CG 3.35Å; H129-F143 AromaticContact CD2-CZ 4Å; H129-F143 AromaticContact CG-CD1 3.75Å; H129-F143 AromaticContact CG-CG 3.73Å; H129-F143 AromaticContact NE2-CD2 3.7Å; H129-F143 AromaticContact NE2-CG 3.81Å
130	A	77.8	Confident	84	Confident	23 Å²	23	62 Å²	62	19%	0.19	32%	0.324	C	S	.	.	H	α-helix	trans	-67.9	-44.8	-179.3	0	0	0	0	0	112	A126 C127 Q134 V140	A126-A130 VanDerWaalsContact O-CB 3.24Å; A126-A130 WeakPolarHBondContact O-CB 3.47Å; A126-A130 PolarHBondContact O-N 2.89Å; C127-A130 PolarHBondContact O-N 3.28Å; A130-Q134 WeakPolarHBondContact O-CA 3.29Å; A130-Q134 PolarHBondContact O-N 3.1Å; A130-Q134 VanDerWaalsContact O-N 3.1Å; A130-V140 HydrophobicContact CB-CG2 4.11Å
131	H	75.4	Confident	84	Confident	167 Å²	167	59 Å²	59	77%	0.773	31%	0.313	S	S	*	.	H	α-helix	trans	-75.2	-42.1	-176.3	-167.5	80.2	0	0	0	112.8	C127	C127-H131 WeakPolarHBondContact O-CB 3.14Å; C127-H131 PolarHBondContact O-N 2.88Å
132	V	68.3	Low	84	Confident	107 Å²	107	57.4 Å²	57.4	65%	0.648	30%	0.301	S	S	*	.	H	α-helix	trans	-75.7	-31.9	-177.2	176.9	0	0	0	0	112.5	L128	L128-V132 VanDerWaalsContact O-CB 3.22Å; L128-V132 WeakPolarHBondContact O-CB 3.42Å; L128-V132 VanDerWaalsContact O-CG2 3.23Å; L128-V132 WeakPolarHBondContact O-CG2 3.35Å; L128-V132 PolarHBondContact O-N 3.32Å
133	L	66.3	Low	84	Confident	105 Å²	105	59.7 Å²	59.7	55%	0.55	31%	0.311	S	S	.	.	H	α-helix	trans	-112	-1.3	-172.1	-54.4	174.7	0	0	0	114.5	H129 T135	H129-L133 WeakPolarHBondContact O-CB 3.49Å; H129-L133 PolarHBondContact O-N 3.43Å; L133-T135 HydrophobicContact CB-CG2 3.63Å; L133-T135 PolarHBondContact O-N 3.21Å; L133-T135 VanDerWaalsContact O-N 3.12Å
134	Q	64.8	Low	84.1	Confident	183 Å²	183	59.9 Å²	59.9	86%	0.855	31%	0.312	S	S	*	.			trans	46.2	40.9	-175.9	-63	-169.2	-11.4	0	0	113.2	A130	A130-Q134 WeakPolarHBondContact O-CA 3.29Å; A130-Q134 PolarHBondContact O-N 3.1Å; A130-Q134 VanDerWaalsContact O-N 3.1Å
135	T	67.1	Low	84.4	Confident	32 Å²	32	55 Å²	55	20%	0.196	29%	0.287	C	S	.	.			trans	-79.5	147.5	-167.3	36.8	0	0	0	0	113.3	H129 L133 K137 L139	H129-T135 PolarHBondContact CE1-OG1 3.22Å; H129-T135 PolarHBondContact ND1-OG1 3.23Å; H129-T135 PolarHBondContact O-OG1 3.47Å; L133-T135 HydrophobicContact CB-CG2 3.63Å; L133-T135 PolarHBondContact O-N 3.21Å; L133-T135 VanDerWaalsContact O-N 3.12Å; T135-K137 PolarHBondContact O-N 2.89Å; T135-L139 HydrophobicContact CG2-CD1 4Å
136	N	84.6	Confident	84.9	Confident	67 Å²	67	54.8 Å²	54.8	36%	0.358	29%	0.285	S	S	.	.			trans	-53.4	137.4	169.2	179.5	-1.8	0	0	0	110.3	V138 L139 V140 H449	N136-V138 PolarHBondContact O-N 2.99Å; N136-V138 VanDerWaalsContact O-N 3.09Å; N136-V138 PolarHBondContact OD1-N 2.87Å; N136-L139 HydrophobicContact CB-CD1 4.34Å; N136-L139 HydrophobicContact CB-CG 4.34Å; N136-L139 WeakPolarHBondContact O-CA 3.48Å; N136-L139 WeakPolarHBondContact O-CB 3.19Å; N136-L139 PolarHBondContact O-N 3.23Å; N136-V140 PolarHBondContact O-N 3.05Å; N136-H449 PolarHBondContact OD1-NE2 3.28Å
137	K	91	Very high	85.4	Confident	10 Å²	10	56.5 Å²	56.5	4%	0.043	30%	0.296	C	S	.	.	H	α-helix	trans	-48.6	-36.8	176.8	-56.5	-163.7	-59.9	168.4	0	113.1	H94 Y98 T135 L139 V140 F141 S480 F481 L483	H94-K137 PolarHBondContact NE2-NZ 2.92Å; Y98-K137 HydrophobicContact CD1-CD 4.35Å; Y98-K137 HydrophobicContact CD2-CD 4.05Å; Y98-K137 HydrophobicContact CE1-CD 4.18Å; Y98-K137 HydrophobicContact CE1-CG 4.07Å; Y98-K137 HydrophobicContact CE2-CD 3.85Å; Y98-K137 HydrophobicContact CE2-CG 4.02Å; Y98-K137 HydrophobicContact CG-CD 4.3Å; T135-K137 PolarHBondContact O-N 2.89Å; K137-L139 VanDerWaalsContact C-N 3.29Å; K137-L139 PolarHBondContact O-N 3.35Å; K137-V140 WeakPolarHBondContact O-CB 3.28Å; K137-V140 PolarHBondContact O-N 3.38Å; K137-V140 VanDerWaalsContact O-N 3.11Å; K137-F141 PolarHBondContact O-N 3.36Å; K137-S480 PolarHBondContact NZ-O 2.81Å; K137-F481 CarbonylContact C-O 3.57Å; K137-F481 HydrophobicContact CB-CD1 4.23Å; K137-F481 WeakPolarHBondContact CB-O 3.28Å; K137-F481 WeakPolarHBondContact O-CD1 3.36Å; K137-L483 WeakPolarHBondContact CE-O 3.33Å; K137-L483 PolarHBondContact NZ-O 3.35Å
138	V	92.4	Very high	86	Confident	22 Å²	22	54.7 Å²	54.7	13%	0.133	28%	0.284	C	S	.	.	H	α-helix	trans	-57.3	-40.2	174.2	-179.5	0	0	0	0	112.1	N136 Y142 F481 L482	N136-V138 PolarHBondContact O-N 2.99Å; N136-V138 VanDerWaalsContact O-N 3.09Å; N136-V138 PolarHBondContact OD1-N 2.87Å; V138-Y142 HydrophobicContact CG1-CD2 4.12Å; V138-Y142 HydrophobicContact CG1-CE2 4.12Å; V138-Y142 WeakPolarHBondContact O-CD2 3.32Å; V138-Y142 PolarHBondContact O-N 3.34Å; V138-F481 PolarHBondContact N-O 2.84Å; V138-L482 HydrophobicContact CB-CD2 4.31Å; V138-L482 HydrophobicContact CG1-CD2 4.04Å; V138-L482 HydrophobicContact CG2-CD2 4.09Å
139	L	92	Very high	86.7	Confident	94 Å²	94	49 Å²	49	49%	0.492	25%	0.254	S	S	.	.	H	α-helix	trans	-71.9	-34.8	177.2	-60.9	174	0	0	0	111.6	T135 N136 K137 F143	T135-L139 HydrophobicContact CG2-CD1 4Å; N136-L139 HydrophobicContact CB-CD1 4.34Å; N136-L139 HydrophobicContact CB-CG 4.34Å; N136-L139 WeakPolarHBondContact O-CA 3.48Å; N136-L139 WeakPolarHBondContact O-CB 3.19Å; N136-L139 PolarHBondContact O-N 3.23Å; K137-L139 VanDerWaalsContact C-N 3.29Å; K137-L139 PolarHBondContact O-N 3.35Å; L139-F143 WeakPolarHBondContact O-CB 3.39Å; L139-F143 PolarHBondContact O-N 3.34Å
140	V	93.6	Very high	87.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-41.3	175.8	-175.6	0	0	0	0	111	L97 A126 A130 N136 K137 F143 V144 F481	L97-V140 HydrophobicContact CD1-CG1 4.31Å; A126-V140 HydrophobicContact CB-CG1 3.82Å; A130-V140 HydrophobicContact CB-CG2 4.11Å; N136-V140 PolarHBondContact O-N 3.05Å; K137-V140 WeakPolarHBondContact O-CB 3.28Å; K137-V140 PolarHBondContact O-N 3.38Å; K137-V140 VanDerWaalsContact O-N 3.11Å; V140-F143 PolarHBondContact O-N 3.31Å; V140-V144 WeakPolarHBondContact O-CG2 3.24Å; V140-V144 PolarHBondContact O-N 3.29Å; V140-F481 HydrophobicContact CB-CD1 4.36Å; V140-F481 HydrophobicContact CB-CE1 4.14Å; V140-F481 HydrophobicContact CG1-CE1 3.84Å
141	F	95.1	Very high	88.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-55	173.8	173.4	-93.4	0	0	0	112.3	I80 W90 K137 F143 V144 R145 L442 F481 L482	I80-F141 HydrophobicContact CD1-CE2 4.24Å; I80-F141 HydrophobicContact CD1-CZ 4.05Å; W90-F141 AromaticContact CD2-CD2 3.79Å; W90-F141 HydrophobicContact CD2-CD2 3.79Å; W90-F141 AromaticContact CD2-CE2 3.64Å; W90-F141 HydrophobicContact CD2-CE2 3.64Å; W90-F141 AromaticContact CE2-CE2 3.61Å; W90-F141 AromaticContact CE3-CD2 3.51Å; W90-F141 HydrophobicContact CE3-CD2 3.51Å; W90-F141 AromaticContact CE3-CE2 3.89Å; W90-F141 HydrophobicContact CE3-CE2 3.89Å; W90-F141 HydrophobicContact CG-CE2 4.18Å; W90-F141 AromaticContact CH2-CD2 3.86Å; W90-F141 HydrophobicContact CH2-CD2 3.86Å; W90-F141 HydrophobicContact CH2-CE2 4.12Å; W90-F141 HydrophobicContact CH2-CG 4.42Å; W90-F141 WeakPolarHBondContact CH2-O 3.21Å; W90-F141 HydrophobicContact CZ2-CD2 4.12Å; W90-F141 AromaticContact CZ2-CE2 3.89Å; W90-F141 HydrophobicContact CZ2-CE2 3.89Å; W90-F141 HydrophobicContact CZ3-CB 4.46Å; W90-F141 AromaticContact CZ3-CD2 3.54Å; W90-F141 HydrophobicContact CZ3-CD2 3.54Å; W90-F141 HydrophobicContact CZ3-CE2 4.11Å; W90-F141 HydrophobicContact CZ3-CG 4.22Å; K137-F141 PolarHBondContact O-N 3.36Å; F141-F143 VanDerWaalsContact C-N 3.31Å; F141-F143 PolarHBondContact O-N 2.97Å; F141-V144 PolarHBondContact O-N 2.88Å; F141-R145 PolarHBondContact O-N 2.86Å; F141-R145 VanDerWaalsContact O-N 3.14Å; F141-L442 HydrophobicContact CE1-CD2 3.98Å; F141-L442 HydrophobicContact CZ-CD2 3.84Å; F141-F481 HydrophobicContact CB-CB 3.79Å; F141-F481 HydrophobicContact CB-CD1 4.24Å; F141-F481 HydrophobicContact CB-CG 4.03Å; F141-F481 HydrophobicContact CD2-CB 4.14Å; F141-F481 HydrophobicContact CD2-CD2 4.38Å; F141-F481 HydrophobicContact CD2-CG 4.41Å; F141-F481 HydrophobicContact CG-CB 4.3Å; F141-L482 HydrophobicContact CB-CD2 4.47Å; F141-L482 HydrophobicContact CD1-CD2 4.01Å; F141-L482 HydrophobicContact CE1-CD2 4.46Å; F141-L482 HydrophobicContact CG-CD2 4.21Å
142	Y	95	Very high	89.7	Confident	47 Å²	47	45.5 Å²	45.5	18%	0.184	24%	0.238	C	C	.	.	H	α-helix	trans	-67.4	-30.7	178.3	-76.2	-68	0	0	0	112.8	L76 V138 R145 C146	L76-Y142 HydrophobicContact CD2-CD1 3.88Å; L76-Y142 HydrophobicContact CD2-CE1 4.5Å; L76-Y142 HydrophobicContact CD2-CG 4.39Å; V138-Y142 HydrophobicContact CG1-CD2 4.12Å; V138-Y142 HydrophobicContact CG1-CE2 4.12Å; V138-Y142 WeakPolarHBondContact O-CD2 3.32Å; V138-Y142 PolarHBondContact O-N 3.34Å; Y142-R145 PolarHBondContact O-N 2.79Å; Y142-C146 WeakPolarHBondContact O-CB 3.31Å; Y142-C146 PolarHBondContact O-N 3.45Å; Y142-C146 PolarHBondContact O-SG 3.35Å; Y142-C146 VanDerWaalsContact O-SG 3.35Å
143	F	95	Very high	91.1	Very high	67 Å²	67	40.4 Å²	40.4	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-61	-46.3	172.2	175.2	-98.9	0	0	0	111.7	P125 H129 L139 V140 F141 R145 C146 V147	P125-F143 HydrophobicContact CB-CE1 4.08Å; P125-F143 WeakPolarHBondContact O-CE1 3.01Å; H129-F143 HydrophobicContact CB-CD1 3.71Å; H129-F143 HydrophobicContact CB-CE1 3.65Å; H129-F143 HydrophobicContact CB-CG 4.22Å; H129-F143 HydrophobicContact CB-CZ 4.09Å; H129-F143 AromaticContact CD2-CD1 3.86Å; H129-F143 AromaticContact CD2-CD2 3.29Å; H129-F143 WeakPolarHBondContact CD2-CD2 2.98Å; H129-F143 AromaticContact CD2-CE2 3.59Å; H129-F143 AromaticContact CD2-CG 3.44Å; H129-F143 VanDerWaalsContact CD2-CG 3.44Å; H129-F143 WeakPolarHBondContact CD2-CG 3.35Å; H129-F143 AromaticContact CD2-CZ 4Å; H129-F143 AromaticContact CG-CD1 3.75Å; H129-F143 AromaticContact CG-CG 3.73Å; H129-F143 AromaticContact NE2-CD2 3.7Å; H129-F143 AromaticContact NE2-CG 3.81Å; L139-F143 WeakPolarHBondContact O-CB 3.39Å; L139-F143 PolarHBondContact O-N 3.34Å; V140-F143 PolarHBondContact O-N 3.31Å; F141-F143 VanDerWaalsContact C-N 3.31Å; F141-F143 PolarHBondContact O-N 2.97Å; F143-R145 PolarHBondContact O-N 3.24Å; F143-C146 CarbonylContact O-C 3.59Å; F143-C146 WeakPolarHBondContact O-CB 3.26Å; F143-C146 PolarHBondContact O-N 3.36Å; F143-V147 HydrophobicContact CD1-CG2 4.21Å; F143-V147 HydrophobicContact CE1-CG2 3.74Å; F143-V147 HydrophobicContact CE2-CG2 4.15Å; F143-V147 HydrophobicContact CZ-CG2 3.71Å; F143-V147 WeakPolarHBondContact O-CG2 3.3Å; F143-V147 PolarHBondContact O-N 2.83Å
144	V	96	Very high	92.6	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-41.4	176.3	173.5	0	0	0	0	111.5	W90 M93 A126 V140 F141 C146 V147 L148	W90-V144 HydrophobicContact CH2-CB 3.79Å; W90-V144 HydrophobicContact CH2-CG1 3.71Å; W90-V144 HydrophobicContact CZ3-CB 3.96Å; W90-V144 HydrophobicContact CZ3-CG1 4.02Å; M93-V144 HydrophobicContact CE-CG1 4.21Å; M93-V144 HydrophobicContact CE-CG2 4.22Å; A126-V144 HydrophobicContact CB-CG2 3.73Å; V140-V144 WeakPolarHBondContact O-CG2 3.24Å; V140-V144 PolarHBondContact O-N 3.29Å; F141-V144 PolarHBondContact O-N 2.88Å; V144-C146 VanDerWaalsContact C-N 3.31Å; V144-C146 PolarHBondContact O-N 2.99Å; V144-V147 PolarHBondContact O-N 3.41Å; V144-V147 VanDerWaalsContact O-N 3.15Å; V144-L148 HydrophobicContact CG1-CD1 4.27Å; V144-L148 HydrophobicContact CG1-CG 4.49Å; V144-L148 WeakPolarHBondContact O-CG 3.37Å; V144-L148 PolarHBondContact O-N 2.02Å
145	R	97.2	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.4	-40.9	173.4	-65.8	-178.3	78.4	80.9	-5.7	111.9	A75 S78 E85 W90 F141 Y142 F143 L148 A149	A75-R145 HydrophobicContact CB-CB 4.04Å; A75-R145 PolarHBondContact O-NE 3.24Å; A75-R145 VanDerWaalsContact O-NE 3.11Å; S78-R145 PolarHBondContact O-NH2 3.12Å; S78-R145 VanDerWaalsContact O-NH2 3.1Å; S78-R145 PolarHBondContact OG-NH2 2.84Å; S78-R145 VanDerWaalsContact OG-NH2 3.08Å; E85-R145 IonicContact OE1-NH1 2.9Å; E85-R145 PolarHBondContact OE1-NH1 3.16Å; W90-R145 HydrophobicContact CH2-CG 3.77Å; W90-R145 HydrophobicContact CZ2-CG 3.65Å; F141-R145 PolarHBondContact O-N 2.86Å; F141-R145 VanDerWaalsContact O-N 3.14Å; Y142-R145 PolarHBondContact O-N 2.79Å; F143-R145 PolarHBondContact O-N 3.24Å; R145-L148 PolarHBondContact O-N 3.35Å; R145-A149 VanDerWaalsContact O-CB 3.32Å; R145-A149 WeakPolarHBondContact O-CB 3.44Å; R145-A149 PolarHBondContact O-N 2.95Å
146	C	97.3	Very high	95.7	Very high	32 Å²	32	28 Å²	28	22%	0.216	15%	0.149	C	C	.	.	H	α-helix	trans	-67.2	-35.5	174.4	-73.1	0	0	0	0	113.3	F72 Y142 F143 V144 F150	F72-C146 HydrophobicContact CE1-CB 4.31Å; Y142-C146 WeakPolarHBondContact O-CB 3.31Å; Y142-C146 PolarHBondContact O-N 3.45Å; Y142-C146 PolarHBondContact O-SG 3.35Å; Y142-C146 VanDerWaalsContact O-SG 3.35Å; F143-C146 CarbonylContact O-C 3.59Å; F143-C146 WeakPolarHBondContact O-CB 3.26Å; F143-C146 PolarHBondContact O-N 3.36Å; V144-C146 VanDerWaalsContact C-N 3.31Å; V144-C146 PolarHBondContact O-N 2.99Å; C146-F150 VanDerWaalsContact O-CB 3.32Å; C146-F150 WeakPolarHBondContact O-CB 3.45Å; C146-F150 PolarHBondContact O-N 3.43Å
147	V	97	Very high	96.4	Very high	36 Å²	36	25.8 Å²	25.8	22%	0.218	14%	0.137	C	C	.	.	H	α-helix	trans	-66.5	-44.6	173.6	170.4	0	0	0	0	111	P125 F143 V144 A149 F150 C151	P125-V147 HydrophobicContact CG-CG1 4.47Å; F143-V147 HydrophobicContact CD1-CG2 4.21Å; F143-V147 HydrophobicContact CE1-CG2 3.74Å; F143-V147 HydrophobicContact CE2-CG2 4.15Å; F143-V147 HydrophobicContact CZ-CG2 3.71Å; F143-V147 WeakPolarHBondContact O-CG2 3.3Å; F143-V147 PolarHBondContact O-N 2.83Å; V144-V147 PolarHBondContact O-N 3.41Å; V144-V147 VanDerWaalsContact O-N 3.15Å; V147-A149 PolarHBondContact O-N 3.37Å; V147-F150 PolarHBondContact O-N 2.93Å; V147-C151 WeakPolarHBondContact O-CB 3.43Å; V147-C151 PolarHBondContact O-N 2.99Å; V147-C151 PolarHBondContact O-SG 3.37Å; V147-C151 VanDerWaalsContact O-SG 3.36Å
148	L	97.8	Very high	96.7	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-57.7	-49.3	174	-70.7	169.8	0	0	0	111.3	V144 R145 F150 C151 C152 F192 Y200	V144-L148 HydrophobicContact CG1-CD1 4.27Å; V144-L148 HydrophobicContact CG1-CG 4.49Å; V144-L148 WeakPolarHBondContact O-CG 3.37Å; V144-L148 PolarHBondContact O-N 2.02Å; R145-L148 PolarHBondContact O-N 3.35Å; L148-F150 PolarHBondContact O-N 3.25Å; L148-C151 PolarHBondContact O-N 3.09Å; L148-C152 PolarHBondContact O-N 3.36Å; L148-F192 HydrophobicContact CD1-CB 3.89Å; L148-F192 HydrophobicContact CD1-CD2 4.45Å; L148-F192 HydrophobicContact CD1-CG 4.35Å; L148-Y200 HydrophobicContact CD2-CE2 4.26Å
149	A	97.9	Very high	97	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-40	176.5	0	0	0	0	0	113.7	R71 F72 A75 R145 V147 C152 C153 S189 A190	R71-A149 HydrophobicContact CB-CB 3.98Å; R71-A149 VanDerWaalsContact O-CB 3.24Å; R71-A149 WeakPolarHBondContact O-CB 3.34Å; F72-A149 HydrophobicContact CD1-CB 4.17Å; A75-A149 HydrophobicContact CB-CB 3.92Å; R145-A149 VanDerWaalsContact O-CB 3.32Å; R145-A149 WeakPolarHBondContact O-CB 3.44Å; R145-A149 PolarHBondContact O-N 2.95Å; V147-A149 PolarHBondContact O-N 3.37Å; A149-C152 PolarHBondContact O-N 3.11Å; A149-C153 WeakPolarHBondContact O-CB 3.32Å; A149-C153 PolarHBondContact O-N 2.79Å; A149-S189 WeakPolarHBondContact CA-O 3.27Å; A149-S189 PolarHBondContact N-O 2.85Å; A149-A190 HydrophobicContact CB-CB 4.35Å
150	F	98.1	Very high	97.3	Very high	91 Å²	91	26 Å²	26	40%	0.399	13%	0.13	S	C	.	.	H	α-helix	trans	-65.4	-46.9	175.1	180	-94.6	0	0	0	111.4	F64 L68 F72 C146 V147 L148 C152 C153 V154	F64-F150 HydrophobicContact CE2-CE2 4.49Å; F64-F150 HydrophobicContact CZ-CE2 4.11Å; L68-F150 HydrophobicContact CD1-CD2 3.86Å; F72-F150 HydrophobicContact CE1-CB 4.25Å; C146-F150 VanDerWaalsContact O-CB 3.32Å; C146-F150 WeakPolarHBondContact O-CB 3.45Å; C146-F150 PolarHBondContact O-N 3.43Å; V147-F150 PolarHBondContact O-N 2.93Å; L148-F150 PolarHBondContact O-N 3.25Å; F150-C152 VanDerWaalsContact C-N 3.33Å; F150-C152 PolarHBondContact O-N 3.28Å; F150-C153 WeakPolarHBondContact O-CB 3.47Å; F150-C153 PolarHBondContact O-N 3.28Å; F150-V154 HydrophobicContact CD1-CG2 4.23Å; F150-V154 HydrophobicContact CE1-CG2 3.83Å; F150-V154 HydrophobicContact CZ-CG2 4Å; F150-V154 WeakPolarHBondContact O-CG2 3.33Å; F150-V154 PolarHBondContact O-N 3.07Å
151	C	98.1	Very high	97.4	Very high	57 Å²	57	30.4 Å²	30.4	39%	0.385	15%	0.149	S	C	.	.	H	α-helix	trans	-60	-41.8	175.5	-71.2	0	0	0	0	111.9	V147 L148 V154 C155	V147-C151 WeakPolarHBondContact O-CB 3.43Å; V147-C151 PolarHBondContact O-N 2.99Å; V147-C151 PolarHBondContact O-SG 3.37Å; V147-C151 VanDerWaalsContact O-SG 3.36Å; L148-C151 PolarHBondContact O-N 3.09Å; C151-V154 PolarHBondContact O-N 3.34Å; C151-C155 PolarHBondContact O-N 2.91Å; C151-C155 VanDerWaalsContact O-N 3.11Å; C151-C155 PolarHBondContact O-SG 2.98Å
152	C	98.4	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.4	-52.1	172	-172.2	0	0	0	0	111.3	L148 A149 F150 V154 C155 E156 S189 Y200	L148-C152 PolarHBondContact O-N 3.36Å; A149-C152 PolarHBondContact O-N 3.11Å; F150-C152 VanDerWaalsContact C-N 3.33Å; F150-C152 PolarHBondContact O-N 3.28Å; C152-V154 VanDerWaalsContact C-N 3.29Å; C152-V154 PolarHBondContact O-N 3.02Å; C152-C155 PolarHBondContact O-N 3.44Å; C152-C155 VanDerWaalsContact O-N 3.1Å; C152-E156 WeakPolarHBondContact O-CG 3.5Å; C152-E156 PolarHBondContact O-N 3.49Å; C152-E156 PolarHBondContact SG-OE2 3.47Å; C152-E156 VanDerWaalsContact SG-OE2 3.41Å; C152-S189 VanDerWaalsContact SG-CB 3.54Å; C152-Y200 HydrophobicContact CB-CD1 3.83Å; C152-Y200 HydrophobicContact CB-CE1 3.41Å; C152-Y200 VanDerWaalsContact CB-CE1 3.41Å
153	C	98.3	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57	-39.3	179.9	179.2	0	0	0	0	112.8	L67 L68 R71 A149 F150 L157	L67-C153 WeakPolarHBondContact CB-SG 3.46Å; L68-C153 HydrophobicContact CD1-CB 4.49Å; L68-C153 PolarHBondContact N-SG 2.9Å; R71-C153 HydrophobicContact CB-CB 4.44Å; R71-C153 HydrophobicContact CG-CB 4.12Å; A149-C153 WeakPolarHBondContact O-CB 3.32Å; A149-C153 PolarHBondContact O-N 2.79Å; F150-C153 WeakPolarHBondContact O-CB 3.47Å; F150-C153 PolarHBondContact O-N 3.28Å; C153-L157 WeakPolarHBondContact O-CB 3.15Å; C153-L157 PolarHBondContact O-N 2.93Å
154	V	98.4	Very high	97.5	Very high	45 Å²	45	25.8 Å²	25.8	27%	0.273	13%	0.132	S	C	.	.	H	α-helix	trans	-66.1	-44.5	177	171.3	0	0	0	0	110.6	F150 C151 C152 L157 Y158	F150-V154 HydrophobicContact CD1-CG2 4.23Å; F150-V154 HydrophobicContact CE1-CG2 3.83Å; F150-V154 HydrophobicContact CZ-CG2 4Å; F150-V154 WeakPolarHBondContact O-CG2 3.33Å; F150-V154 PolarHBondContact O-N 3.07Å; C151-V154 PolarHBondContact O-N 3.34Å; C152-V154 VanDerWaalsContact C-N 3.29Å; C152-V154 PolarHBondContact O-N 3.02Å; V154-L157 PolarHBondContact O-N 3.15Å; V154-Y158 HydrophobicContact CG1-CD2 3.95Å; V154-Y158 HydrophobicContact CG1-CE2 3.81Å; V154-Y158 VanDerWaalsContact O-CD2 3.26Å; V154-Y158 WeakPolarHBondContact O-CD2 3.44Å; V154-Y158 PolarHBondContact O-N 3.38Å
155	C	98.6	Very high	97.3	Very high	15 Å²	15	33 Å²	33	10%	0.101	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-43.3	177.2	-61.5	0	0	0	0	111.9	C151 C152 L157 Y158 F159 L203	C151-C155 PolarHBondContact O-N 2.91Å; C151-C155 VanDerWaalsContact O-N 3.11Å; C151-C155 PolarHBondContact O-SG 2.98Å; C152-C155 PolarHBondContact O-N 3.44Å; C152-C155 VanDerWaalsContact O-N 3.1Å; C155-L157 PolarHBondContact O-N 2.75Å; C155-Y158 PolarHBondContact O-N 3.39Å; C155-F159 WeakPolarHBondContact O-CB 3.29Å; C155-F159 PolarHBondContact O-N 2.83Å; C155-L203 HydrophobicContact CB-CB 3.8Å; C155-L203 HydrophobicContact CB-CD1 3.79Å; C155-L203 HydrophobicContact CB-CG 4.44Å
156	E	98.5	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-38.8	175	-72.5	175.3	106.7	0	0	112.7	L67 R71 C152 F159 Y160 L179 M185 L203	L67-E156 HydrophobicContact CD1-CB 3.85Å; L67-E156 HydrophobicContact CD2-CB 4.1Å; R71-E156 WeakPolarHBondContact CD-OE2 3.46Å; R71-E156 IonicContact CZ-OE1 3.45Å; R71-E156 IonicContact CZ-OE2 3.62Å; R71-E156 IonicContact NE-OE1 2.72Å; R71-E156 PolarHBondContact NE-OE1 2.74Å; R71-E156 IonicContact NE-OE2 2.82Å; R71-E156 PolarHBondContact NE-OE2 2.95Å; R71-E156 IonicContact NH2-OE1 2.71Å; R71-E156 PolarHBondContact NH2-OE1 3.04Å; R71-E156 IonicContact NH2-OE2 3.62Å; C152-E156 WeakPolarHBondContact O-CG 3.5Å; C152-E156 PolarHBondContact O-N 3.49Å; C152-E156 PolarHBondContact SG-OE2 3.47Å; C152-E156 VanDerWaalsContact SG-OE2 3.41Å; E156-F159 PolarHBondContact O-N 2.75Å; E156-Y160 VanDerWaalsContact O-CB 3.27Å; E156-Y160 WeakPolarHBondContact O-CB 3.44Å; E156-Y160 PolarHBondContact O-N 3.2Å; E156-L179 HydrophobicContact CG-CD1 4.47Å; E156-M185 HydrophobicContact CG-CE 4.4Å; E156-M185 WeakPolarHBondContact OE1-CE 3.28Å; E156-L203 HydrophobicContact CG-CD1 3.77Å; E156-L203 HydrophobicContact CG-CD2 4.47Å
157	L	98.4	Very high	96.6	Very high	20 Å²	20	35.3 Å²	35.3	11%	0.105	17%	0.169	C	C	.	.	H	α-helix	trans	-64.6	-42.8	178.2	177.3	65.6	0	0	0	112.2	G60 A63 F64 C153 V154 C155 K161	G60-L157 WeakPolarHBondContact O-CD1 3.19Å; A63-L157 HydrophobicContact CB-CD1 4.17Å; F64-L157 HydrophobicContact CB-CD1 4.14Å; F64-L157 HydrophobicContact CB-CD2 3.95Å; F64-L157 HydrophobicContact CD2-CD2 3.92Å; F64-L157 HydrophobicContact CG-CD2 4.21Å; C153-L157 WeakPolarHBondContact O-CB 3.15Å; C153-L157 PolarHBondContact O-N 2.93Å; V154-L157 PolarHBondContact O-N 3.15Å; C155-L157 PolarHBondContact O-N 2.75Å; L157-K161 WeakPolarHBondContact O-CG 3.23Å; L157-K161 PolarHBondContact O-N 2.86Å; L157-K161 VanDerWaalsContact O-N 3.11Å
158	Y	98	Very high	96.3	Very high	125 Å²	125	35.1 Å²	35.1	49%	0.49	17%	0.174	S	C	.	.	H	α-helix	trans	-69.3	-39.1	176.9	-78.9	-67.4	0	0	0	111.9	V154 C155 K161 A162	V154-Y158 HydrophobicContact CG1-CD2 3.95Å; V154-Y158 HydrophobicContact CG1-CE2 3.81Å; V154-Y158 VanDerWaalsContact O-CD2 3.26Å; V154-Y158 WeakPolarHBondContact O-CD2 3.44Å; V154-Y158 PolarHBondContact O-N 3.38Å; C155-Y158 PolarHBondContact O-N 3.39Å; Y158-K161 PolarHBondContact O-N 3.14Å; Y158-A162 PolarHBondContact O-N 2.93Å
159	F	98.4	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-43.3	173.9	-177.2	-119.6	0	0	0	112.2	C155 E156 K161 A162 V163 M175 L203 M206 T207 F210 P379 L380 L383	C155-F159 WeakPolarHBondContact O-CB 3.29Å; C155-F159 PolarHBondContact O-N 2.83Å; E156-F159 PolarHBondContact O-N 2.75Å; F159-K161 PolarHBondContact O-N 3.23Å; F159-A162 PolarHBondContact O-N 3.32Å; F159-A162 VanDerWaalsContact O-N 3.16Å; F159-V163 HydrophobicContact CD1-CG2 4.48Å; F159-V163 HydrophobicContact CD2-CG2 4.22Å; F159-V163 HydrophobicContact CE1-CG2 4.26Å; F159-V163 HydrophobicContact CE2-CG2 3.95Å; F159-V163 HydrophobicContact CG-CG2 4.48Å; F159-V163 HydrophobicContact CZ-CG2 4Å; F159-V163 WeakPolarHBondContact O-CB 3.22Å; F159-V163 WeakPolarHBondContact O-CG2 3.24Å; F159-V163 PolarHBondContact O-N 2.67Å; F159-M175 HydrophobicContact CD1-CE 3.71Å; F159-M175 HydrophobicContact CD1-SD 3.86Å; F159-M175 HydrophobicContact CE1-CE 3.9Å; F159-M175 HydrophobicContact CE1-SD 3.37Å; F159-M175 WeakPolarHBondContact CE1-SD 3.47Å; F159-M175 HydrophobicContact CZ-SD 4.12Å; F159-L203 HydrophobicContact CB-CB 4.4Å; F159-L203 HydrophobicContact CB-CD2 3.58Å; F159-L203 HydrophobicContact CD1-CD2 3.26Å; F159-L203 HydrophobicContact CD2-CD2 4.24Å; F159-L203 HydrophobicContact CE1-CD2 3.89Å; F159-L203 HydrophobicContact CG-CD2 3.45Å; F159-L203 VanDerWaalsContact CG-CD2 3.45Å; F159-M206 HydrophobicContact CD2-CB 4.12Å; F159-M206 HydrophobicContact CE2-CB 3.71Å; F159-T207 WeakPolarHBondContact CA-OG1 3.49Å; F159-T207 PolarHBondContact N-OG1 3.41Å; F159-F210 HydrophobicContact CE2-CD2 4.25Å; F159-F210 AromaticContact CE2-CE2 3.8Å; F159-F210 HydrophobicContact CE2-CE2 3.8Å; F159-F210 HydrophobicContact CZ-CE2 4.47Å; F159-P379 HydrophobicContact CE1-CB 4.15Å; F159-L380 HydrophobicContact CZ-CD2 4.15Å; F159-L383 HydrophobicContact CE2-CD2 4.48Å; F159-L383 HydrophobicContact CZ-CB 4.25Å; F159-L383 HydrophobicContact CZ-CD2 3.9Å
160	Y	98.3	Very high	95.7	Very high	6 Å²	6	39.2 Å²	39.2	2%	0.024	20%	0.195	C	C	.	.	H	α-helix	trans	-55.4	-48.3	172.2	169.2	-110.6	0	0	0	112	P58 A63 E156 A162 V163 C164 G172 M175 L176	P58-Y160 WeakPolarHBondContact CD-OH 3.44Å; P58-Y160 WeakPolarHBondContact O-CE1 3.3Å; P58-Y160 PolarHBondContact O-OH 2.77Å; A63-Y160 HydrophobicContact CB-CD1 3.74Å; A63-Y160 HydrophobicContact CB-CE1 3.55Å; E156-Y160 VanDerWaalsContact O-CB 3.27Å; E156-Y160 WeakPolarHBondContact O-CB 3.44Å; E156-Y160 PolarHBondContact O-N 3.2Å; Y160-A162 VanDerWaalsContact C-N 3.34Å; Y160-A162 PolarHBondContact O-N 3.37Å; Y160-V163 PolarHBondContact O-N 2.97Å; Y160-C164 WeakPolarHBondContact CE2-SG 3.16Å; Y160-C164 WeakPolarHBondContact O-CB 3.39Å; Y160-C164 PolarHBondContact O-N 3.19Å; Y160-C164 PolarHBondContact O-SG 3Å; Y160-C164 VanDerWaalsContact O-SG 3.42Å; Y160-G172 WeakPolarHBondContact CE2-O 3.43Å; Y160-M175 HydrophobicContact CD2-CE 4.47Å; Y160-L176 HydrophobicContact CD2-CB 3.78Å; Y160-L176 HydrophobicContact CD2-CD1 4.38Å; Y160-L176 HydrophobicContact CD2-CD2 4.15Å; Y160-L176 HydrophobicContact CD2-CG 4.33Å; Y160-L176 HydrophobicContact CE1-CD2 4.26Å; Y160-L176 HydrophobicContact CE2-CB 3.76Å; Y160-L176 HydrophobicContact CE2-CD2 3.7Å; Y160-L176 HydrophobicContact CE2-CG 4.26Å; Y160-L176 HydrophobicContact CG-CD1 4.49Å
161	K	96.6	Very high	95.5	Very high	91 Å²	91	35.1 Å²	35.1	40%	0.396	18%	0.178	S	C	.	.	H	α-helix	trans	-60.5	-41.8	175.4	-71.7	172.2	179.7	177.7	0	112.1	L157 Y158 F159 K165	L157-K161 WeakPolarHBondContact O-CG 3.23Å; L157-K161 PolarHBondContact O-N 2.86Å; L157-K161 VanDerWaalsContact O-N 3.11Å; Y158-K161 PolarHBondContact O-N 3.14Å; F159-K161 PolarHBondContact O-N 3.23Å; K161-K165 PolarHBondContact O-N 3.39Å
162	A	96.3	Very high	95.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-42.3	177.7	0	0	0	0	0	112.5	Y158 F159 Y160 K165 K166 T207 F210 Q211	Y158-A162 PolarHBondContact O-N 2.93Å; F159-A162 PolarHBondContact O-N 3.32Å; F159-A162 VanDerWaalsContact O-N 3.16Å; Y160-A162 VanDerWaalsContact C-N 3.34Å; Y160-A162 PolarHBondContact O-N 3.37Å; A162-K165 PolarHBondContact O-N 3.11Å; A162-K166 WeakPolarHBondContact O-CB 3.36Å; A162-K166 PolarHBondContact O-N 3.43Å; A162-T207 HydrophobicContact CB-CG2 4.17Å; A162-F210 HydrophobicContact CB-CB 3.94Å; A162-Q211 HydrophobicContact CB-CG 3.94Å
163	V	95.9	Very high	95.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.9	-41.3	176.5	167.6	0	0	0	0	111.3	F159 Y160 K165 K166 F167 V171 M175 F210 L383	F159-V163 HydrophobicContact CD1-CG2 4.48Å; F159-V163 HydrophobicContact CD2-CG2 4.22Å; F159-V163 HydrophobicContact CE1-CG2 4.26Å; F159-V163 HydrophobicContact CE2-CG2 3.95Å; F159-V163 HydrophobicContact CG-CG2 4.48Å; F159-V163 HydrophobicContact CZ-CG2 4Å; F159-V163 WeakPolarHBondContact O-CB 3.22Å; F159-V163 WeakPolarHBondContact O-CG2 3.24Å; F159-V163 PolarHBondContact O-N 2.67Å; Y160-V163 PolarHBondContact O-N 2.97Å; V163-K165 VanDerWaalsContact C-N 3.33Å; V163-K165 PolarHBondContact O-N 3Å; V163-K166 PolarHBondContact O-N 3.01Å; V163-F167 HydrophobicContact CB-CD2 4.44Å; V163-F167 HydrophobicContact CG1-CB 4.49Å; V163-F167 HydrophobicContact CG1-CD2 4.07Å; V163-F167 HydrophobicContact CG2-CD2 4.38Å; V163-F167 PolarHBondContact O-N 3.04Å; V163-V171 HydrophobicContact CG1-CG1 4.13Å; V163-M175 HydrophobicContact CB-CE 3.89Å; V163-M175 HydrophobicContact CB-SD 4.15Å; V163-M175 HydrophobicContact CG1-CE 4.04Å; V163-M175 HydrophobicContact CG1-SD 3.92Å; V163-M175 HydrophobicContact CG2-CE 3.94Å; V163-M175 HydrophobicContact CG2-SD 3.79Å; V163-F210 HydrophobicContact CG2-CD2 4.03Å; V163-F210 HydrophobicContact CG2-CE2 3.95Å; V163-L383 HydrophobicContact CB-CD1 4.49Å; V163-L383 HydrophobicContact CG1-CD1 3.73Å; V163-L383 HydrophobicContact CG2-CD1 3.88Å; V163-L383 HydrophobicContact CG2-CD2 4.38Å
164	C	94.4	Very high	95.1	Very high	18 Å²	18	35.2 Å²	35.2	12%	0.122	17%	0.17	C	C	.	.	H	α-helix	trans	-57.7	-42.4	171.4	-80.3	0	0	0	0	112.6	Y160 G168 L169	Y160-C164 WeakPolarHBondContact CE2-SG 3.16Å; Y160-C164 WeakPolarHBondContact O-CB 3.39Å; Y160-C164 PolarHBondContact O-N 3.19Å; Y160-C164 PolarHBondContact O-SG 3Å; Y160-C164 VanDerWaalsContact O-SG 3.42Å; C164-G168 CarbonylContact O-C 3.6Å; C164-G168 VanDerWaalsContact O-CA 3.25Å; C164-G168 WeakPolarHBondContact O-CA 3.5Å; C164-G168 PolarHBondContact O-N 3.04Å; C164-L169 HydrophobicContact CB-CD2 4.04Å
165	K	90.9	Very high	95.1	Very high	153 Å²	153	33.1 Å²	33.1	67%	0.665	16%	0.157	S	C	*	.	H	α-helix	trans	-66.1	-40.7	176.2	-173.4	-173.1	177.3	-169.2	0	112.2	K161 A162 V163	K161-K165 PolarHBondContact O-N 3.39Å; A162-K165 PolarHBondContact O-N 3.11Å; V163-K165 VanDerWaalsContact C-N 3.33Å; V163-K165 PolarHBondContact O-N 3Å
166	K	90.4	Very high	95.1	Very high	57 Å²	57	32.8 Å²	32.8	25%	0.248	16%	0.155	C	C	.	.	H	α-helix	trans	-91.2	-42.6	-169.4	-177.1	171.4	177.9	170.8	0	115.1	A162 V163 F210	A162-K166 WeakPolarHBondContact O-CB 3.36Å; A162-K166 PolarHBondContact O-N 3.43Å; V163-K166 PolarHBondContact O-N 3.01Å; K166-F210 HydrophobicContact CD-CB 3.75Å; K166-F210 HydrophobicContact CD-CD1 3.66Å; K166-F210 HydrophobicContact CD-CD2 4.03Å; K166-F210 HydrophobicContact CD-CE1 4.22Å; K166-F210 HydrophobicContact CD-CG 3.52Å
167	F	90.1	Very high	95.1	Very high	25 Å²	25	33.9 Å²	33.9	11%	0.11	16%	0.164	C	C	.	.	H	α-helix	trans	-109.3	-0.4	-176.1	-59.9	-80.6	0	0	0	112.9	V163 V171 F210 Y349 L383 V387	V163-F167 HydrophobicContact CB-CD2 4.44Å; V163-F167 HydrophobicContact CG1-CB 4.49Å; V163-F167 HydrophobicContact CG1-CD2 4.07Å; V163-F167 HydrophobicContact CG2-CD2 4.38Å; V163-F167 PolarHBondContact O-N 3.04Å; F167-V171 HydrophobicContact CB-CB 3.79Å; F167-V171 HydrophobicContact CB-CG1 3.77Å; F167-V171 HydrophobicContact CB-CG2 4.08Å; F167-V171 HydrophobicContact CG-CG1 4.42Å; F167-V171 WeakPolarHBondContact O-CG2 3.47Å; F167-F210 HydrophobicContact CE2-CD2 4.12Å; F167-F210 AromaticContact CE2-CE2 3.62Å; F167-F210 HydrophobicContact CE2-CE2 3.62Å; F167-F210 AromaticContact CE2-CZ 3.88Å; F167-F210 HydrophobicContact CE2-CZ 3.88Å; F167-F210 HydrophobicContact CZ-CE2 4.42Å; F167-F210 HydrophobicContact CZ-CZ 4.24Å; F167-Y349 HydrophobicContact CD1-CD1 4.4Å; F167-Y349 AromaticContact CD1-CE1 3.78Å; F167-Y349 HydrophobicContact CD1-CE1 3.78Å; F167-Y349 HydrophobicContact CE1-CD1 4.03Å; F167-Y349 AromaticContact CE1-CE1 3.88Å; F167-Y349 HydrophobicContact CE1-CE1 3.88Å; F167-L383 HydrophobicContact CD2-CD1 4.04Å; F167-L383 HydrophobicContact CE2-CD1 4.05Å; F167-L383 HydrophobicContact CE2-CD2 4.11Å; F167-V387 HydrophobicContact CD1-CG2 4.15Å; F167-V387 HydrophobicContact CE1-CG2 4.38Å; F167-V387 HydrophobicContact CG-CG2 4.49Å
168	G	90.4	Very high	95.1	Very high	31 Å²	31	33 Å²	33	32%	0.32	16%	0.159	S	C	.	.			trans	85.7	160.8	178.9	0	0	0	0	0	114.3	C164 H170 V171 G172	C164-G168 CarbonylContact O-C 3.6Å; C164-G168 VanDerWaalsContact O-CA 3.25Å; C164-G168 WeakPolarHBondContact O-CA 3.5Å; C164-G168 PolarHBondContact O-N 3.04Å; G168-H170 PolarHBondContact O-N 3.46Å; G168-H170 VanDerWaalsContact O-N 3.14Å; G168-V171 PolarHBondContact O-N 2.89Å; G168-G172 PolarHBondContact O-N 3.26Å; G168-G172 VanDerWaalsContact O-N 3.1Å
169	L	91.9	Very high	95.1	Very high	85 Å²	85	27 Å²	27	45%	0.445	14%	0.136	S	C	.	.	H	α-helix	trans	-58.6	-29.2	-172	-59.5	-179.4	0	0	0	114.1	V55 A57 C164 R173	V55-L169 HydrophobicContact CG1-CB 4.15Å; V55-L169 WeakPolarHBondContact O-CB 3.36Å; V55-L169 VanDerWaalsContact O-CD1 3.23Å; V55-L169 WeakPolarHBondContact O-CD1 3.46Å; A57-L169 HydrophobicContact CB-CB 3.93Å; A57-L169 HydrophobicContact CB-CD2 4.4Å; C164-L169 HydrophobicContact CB-CD2 4.04Å; L169-R173 PolarHBondContact O-N 3.46Å
170	H	90.8	Very high	95.1	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.023	15%	0.145	C	C	.	.	H	α-helix	trans	-71.4	-46.9	178	-167.1	53.7	0	0	0	112.7	V55 G168 G172 R173 L174 Q393 Y408	V55-H170 HydrophobicContact CG1-CB 3.82Å; G168-H170 PolarHBondContact O-N 3.46Å; G168-H170 VanDerWaalsContact O-N 3.14Å; H170-G172 VanDerWaalsContact C-N 3.28Å; H170-G172 PolarHBondContact O-N 3.21Å; H170-R173 WeakPolarHBondContact O-CG 3.01Å; H170-R173 PolarHBondContact O-N 3.03Å; H170-L174 WeakPolarHBondContact NE2-CD1 3.4Å; H170-L174 WeakPolarHBondContact O-CG 3.5Å; H170-L174 PolarHBondContact O-N 2.87Å; H170-L174 VanDerWaalsContact O-N 3.16Å; H170-Q393 PolarHBondContact NE2-NE2 2.81Å; H170-Q393 PolarHBondContact NE2-OE1 2.84Å; H170-Y408 AromaticContact CD2-CE2 3.86Å; H170-Y408 PolarHBondContact CD2-OH 2.74Å
171	V	93.9	Very high	95.1	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.024	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-41.1	175.2	177.5	0	0	0	0	109.9	V163 F167 G168 L174 M175 L383 A386 V387	V163-V171 HydrophobicContact CG1-CG1 4.13Å; F167-V171 HydrophobicContact CB-CB 3.79Å; F167-V171 HydrophobicContact CB-CG1 3.77Å; F167-V171 HydrophobicContact CB-CG2 4.08Å; F167-V171 HydrophobicContact CG-CG1 4.42Å; F167-V171 WeakPolarHBondContact O-CG2 3.47Å; G168-V171 PolarHBondContact O-N 2.89Å; V171-L174 PolarHBondContact O-N 3.15Å; V171-M175 WeakPolarHBondContact O-CB 3.46Å; V171-M175 PolarHBondContact O-N 2.97Å; V171-L383 HydrophobicContact CG1-CD1 4.17Å; V171-A386 HydrophobicContact CG1-CB 4.1Å; V171-V387 HydrophobicContact CG1-CG2 3.72Å
172	G	95.6	Very high	95.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54.4	-53.1	173.2	0	0	0	0	0	113.3	Y160 G168 H170 L174 M175 L176	Y160-G172 WeakPolarHBondContact CE2-O 3.43Å; G168-G172 PolarHBondContact O-N 3.26Å; G168-G172 VanDerWaalsContact O-N 3.1Å; H170-G172 VanDerWaalsContact C-N 3.28Å; H170-G172 PolarHBondContact O-N 3.21Å; G172-L174 VanDerWaalsContact C-N 3.31Å; G172-L174 PolarHBondContact O-N 2.91Å; G172-M175 PolarHBondContact O-N 3.18Å; G172-L176 WeakPolarHBondContact O-CB 3.34Å; G172-L176 PolarHBondContact O-N 3.18Å
173	R	95.3	Very high	95.2	Very high	54 Å²	54	25.9 Å²	25.9	20%	0.204	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-37.9	-178.5	90.1	165.9	84.6	133.8	-0.2	112.6	W56 A57 L169 H170 A177	W56-R173 PolarHBondContact O-NE 2.93Å; W56-R173 PolarHBondContact O-NH2 2.96Å; A57-R173 HydrophobicContact CB-CB 4.15Å; L169-R173 PolarHBondContact O-N 3.46Å; H170-R173 WeakPolarHBondContact O-CG 3.01Å; H170-R173 PolarHBondContact O-N 3.03Å; R173-A177 PolarHBondContact O-N 3.38Å; R173-A177 VanDerWaalsContact O-N 3.1Å
174	L	96.8	Very high	95.2	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-67.9	-47.6	179.3	-69.8	173.6	0	0	0	110.9	H170 V171 G172 L176 A177 F178 A386 L389 A416 V420	H170-L174 WeakPolarHBondContact NE2-CD1 3.4Å; H170-L174 WeakPolarHBondContact O-CG 3.5Å; H170-L174 PolarHBondContact O-N 2.87Å; H170-L174 VanDerWaalsContact O-N 3.16Å; V171-L174 PolarHBondContact O-N 3.15Å; G172-L174 VanDerWaalsContact C-N 3.31Å; G172-L174 PolarHBondContact O-N 2.91Å; L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 PolarHBondContact O-N 2.83Å; L174-A177 PolarHBondContact O-N 3.07Å; L174-F178 HydrophobicContact CB-CE2 4.39Å; L174-F178 WeakPolarHBondContact O-CD2 3.28Å; L174-F178 VanDerWaalsContact O-CG 3.28Å; L174-F178 WeakPolarHBondContact O-CG 3.47Å; L174-F178 PolarHBondContact O-N 2.99Å; L174-A386 HydrophobicContact CB-CB 3.81Å; L174-L389 HydrophobicContact CD1-CB 4.42Å; L174-L389 HydrophobicContact CD1-CD2 3.92Å; L174-L389 HydrophobicContact CD1-CG 4.29Å; L174-L389 HydrophobicContact CD2-CD2 3.91Å; L174-L389 HydrophobicContact CG-CD2 4.47Å; L174-A416 HydrophobicContact CD2-CB 4.17Å; L174-V420 HydrophobicContact CD2-CG2 4.05Å
175	M	98.1	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-41.9	175.5	-174.7	-166.9	74.7	0	0	111.6	F159 Y160 V163 V171 G172 A177 F178 L179 C382 L383 A386	F159-M175 HydrophobicContact CD1-CE 3.71Å; F159-M175 HydrophobicContact CD1-SD 3.86Å; F159-M175 HydrophobicContact CE1-CE 3.9Å; F159-M175 HydrophobicContact CE1-SD 3.37Å; F159-M175 WeakPolarHBondContact CE1-SD 3.47Å; F159-M175 HydrophobicContact CZ-SD 4.12Å; Y160-M175 HydrophobicContact CD2-CE 4.47Å; V163-M175 HydrophobicContact CB-CE 3.89Å; V163-M175 HydrophobicContact CB-SD 4.15Å; V163-M175 HydrophobicContact CG1-CE 4.04Å; V163-M175 HydrophobicContact CG1-SD 3.92Å; V163-M175 HydrophobicContact CG2-CE 3.94Å; V163-M175 HydrophobicContact CG2-SD 3.79Å; V171-M175 WeakPolarHBondContact O-CB 3.46Å; V171-M175 PolarHBondContact O-N 2.97Å; G172-M175 PolarHBondContact O-N 3.18Å; M175-A177 PolarHBondContact O-N 3.11Å; M175-F178 PolarHBondContact O-N 2.86Å; M175-L179 HydrophobicContact CE-CD1 3.9Å; M175-L179 HydrophobicContact CG-CD1 4.17Å; M175-L179 HydrophobicContact CG-CG 4.34Å; M175-L179 WeakPolarHBondContact O-CG 3.45Å; M175-L179 PolarHBondContact O-N 3.03Å; M175-L179 HydrophobicContact SD-CD1 4.45Å; M175-C382 HydrophobicContact CG-CB 4.17Å; M175-L383 HydrophobicContact CG-CB 4.45Å; M175-L383 HydrophobicContact SD-CB 3.92Å; M175-L383 HydrophobicContact SD-CD1 4.02Å; M175-A386 HydrophobicContact CB-CB 3.86Å
176	L	98.3	Very high	95.7	Very high	9 Å²	9	19 Å²	19	5%	0.047	10%	0.104	C	C	.	.	H	α-helix	trans	-60.7	-43.3	177.2	179.8	62.3	0	0	0	111.8	P58 A63 L67 Y160 G172 L174 F178 L179 V180	P58-L176 HydrophobicContact CB-CD2 3.94Å; P58-L176 HydrophobicContact CG-CD2 3.86Å; A63-L176 HydrophobicContact CB-CD1 4.18Å; A63-L176 HydrophobicContact CB-CD2 3.62Å; L67-L176 HydrophobicContact CD1-CD1 3.83Å; L67-L176 HydrophobicContact CD2-CD1 4.01Å; L67-L176 HydrophobicContact CG-CD1 3.79Å; Y160-L176 HydrophobicContact CD2-CB 3.78Å; Y160-L176 HydrophobicContact CD2-CD1 4.38Å; Y160-L176 HydrophobicContact CD2-CD2 4.15Å; Y160-L176 HydrophobicContact CD2-CG 4.33Å; Y160-L176 HydrophobicContact CE1-CD2 4.26Å; Y160-L176 HydrophobicContact CE2-CB 3.76Å; Y160-L176 HydrophobicContact CE2-CD2 3.7Å; Y160-L176 HydrophobicContact CE2-CG 4.26Å; Y160-L176 HydrophobicContact CG-CD1 4.49Å; G172-L176 WeakPolarHBondContact O-CB 3.34Å; G172-L176 PolarHBondContact O-N 3.18Å; L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 PolarHBondContact O-N 2.83Å; L176-F178 VanDerWaalsContact C-N 3.34Å; L176-F178 PolarHBondContact O-N 3.34Å; L176-L179 PolarHBondContact O-N 2.94Å; L176-V180 HydrophobicContact CD1-CG2 4.08Å; L176-V180 HydrophobicContact CG-CG2 4.47Å; L176-V180 WeakPolarHBondContact O-CB 3.46Å; L176-V180 VanDerWaalsContact O-CG2 3.23Å; L176-V180 WeakPolarHBondContact O-CG2 3.4Å; L176-V180 PolarHBondContact O-N 2.95Å
177	A	97.9	Very high	96	Very high	23 Å²	23	17.3 Å²	17.3	19%	0.19	10%	0.098	C	C	.	.	H	α-helix	trans	-61	-42.8	174	0	0	0	0	0	111.7	R173 L174 M175 L181 V420	R173-A177 PolarHBondContact O-N 3.38Å; R173-A177 VanDerWaalsContact O-N 3.1Å; L174-A177 PolarHBondContact O-N 3.07Å; M175-A177 PolarHBondContact O-N 3.11Å; A177-L181 VanDerWaalsContact O-CB 3.29Å; A177-L181 WeakPolarHBondContact O-CB 3.29Å; A177-L181 WeakPolarHBondContact O-CG 3.31Å; A177-L181 PolarHBondContact O-N 3.1Å; A177-L181 VanDerWaalsContact O-N 3.08Å; A177-V420 HydrophobicContact CB-CG1 4.29Å
178	F	98.6	Very high	96.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.2	-40.1	178.3	-58.2	-28.1	0	0	0	113	L174 M175 L176 S182 V319 C382 A386 L389 T419 V420 F423	L174-F178 HydrophobicContact CB-CE2 4.39Å; L174-F178 WeakPolarHBondContact O-CD2 3.28Å; L174-F178 VanDerWaalsContact O-CG 3.28Å; L174-F178 WeakPolarHBondContact O-CG 3.47Å; L174-F178 PolarHBondContact O-N 2.99Å; M175-F178 PolarHBondContact O-N 2.86Å; L176-F178 VanDerWaalsContact C-N 3.34Å; L176-F178 PolarHBondContact O-N 3.34Å; F178-S182 WeakPolarHBondContact O-CB 3.27Å; F178-S182 PolarHBondContact O-N 3.09Å; F178-S182 PolarHBondContact O-OG 3.47Å; F178-V319 HydrophobicContact CB-CG1 4.46Å; F178-V319 HydrophobicContact CD1-CG2 3.71Å; F178-V319 HydrophobicContact CD2-CG1 3.72Å; F178-V319 HydrophobicContact CD2-CG2 4.06Å; F178-V319 HydrophobicContact CE1-CG2 3.55Å; F178-V319 HydrophobicContact CE2-CG1 4.03Å; F178-V319 HydrophobicContact CE2-CG2 3.91Å; F178-V319 HydrophobicContact CG-CG1 4.04Å; F178-V319 HydrophobicContact CG-CG2 3.97Å; F178-V319 HydrophobicContact CZ-CG2 3.66Å; F178-C382 HydrophobicContact CB-CB 4Å; F178-A386 HydrophobicContact CD2-CB 4.15Å; F178-A386 HydrophobicContact CE2-CB 4.06Å; F178-L389 HydrophobicContact CZ-CD2 4.1Å; F178-T419 HydrophobicContact CE1-CG2 4.48Å; F178-T419 HydrophobicContact CZ-CG2 4.15Å; F178-V420 HydrophobicContact CE1-CG2 3.93Å; F178-V420 HydrophobicContact CZ-CG2 4.43Å; F178-F423 HydrophobicContact CB-CE1 4.28Å; F178-F423 HydrophobicContact CB-CZ 4.25Å; F178-F423 AromaticContact CD1-CD1 3.8Å; F178-F423 HydrophobicContact CD1-CD1 3.8Å; F178-F423 AromaticContact CD1-CE1 3.87Å; F178-F423 HydrophobicContact CD1-CE1 3.87Å; F178-F423 HydrophobicContact CD1-CG 4.17Å; F178-F423 HydrophobicContact CD1-CZ 4.25Å; F178-F423 HydrophobicContact CE1-CD1 4.35Å; F178-F423 HydrophobicContact CE1-CG 4.38Å; F178-F423 HydrophobicContact CG-CE1 4.5Å
179	L	98.5	Very high	96.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.3	-52.5	173.5	-73.5	172.9	0	0	0	111.6	L67 R71 E156 M175 L176 L181 S182 M185 P379 C382	L67-L179 HydrophobicContact CD2-CB 4.27Å; R71-L179 PolarHBondContact NH2-O 3.08Å; E156-L179 HydrophobicContact CG-CD1 4.47Å; M175-L179 HydrophobicContact CE-CD1 3.9Å; M175-L179 HydrophobicContact CG-CD1 4.17Å; M175-L179 HydrophobicContact CG-CG 4.34Å; M175-L179 WeakPolarHBondContact O-CG 3.45Å; M175-L179 PolarHBondContact O-N 3.03Å; M175-L179 HydrophobicContact SD-CD1 4.45Å; L176-L179 PolarHBondContact O-N 2.94Å; L179-L181 VanDerWaalsContact C-N 3.29Å; L179-L181 PolarHBondContact O-N 2.81Å; L179-S182 PolarHBondContact O-OG 3.36Å; L179-M185 HydrophobicContact CD2-CE 4.24Å; L179-M185 HydrophobicContact CD2-CG 4.21Å; L179-M185 HydrophobicContact CD2-SD 4.28Å; L179-P379 HydrophobicContact CD2-CB 4Å; L179-P379 HydrophobicContact CD2-CG 4.48Å; L179-C382 HydrophobicContact CD2-CB 3.98Å; L179-C382 HydrophobicContact CG-CB 4.13Å
180	V	98.2	Very high	96.9	Very high	32 Å²	32	10.6 Å²	10.6	19%	0.194	6%	0.057	C	C	.	.	H	α-helix	trans	-61	-36.4	-177.4	169.9	0	0	0	0	112.2	C66 L67 A70 L176	C66-V180 HydrophobicContact CB-CG2 4.21Å; L67-V180 HydrophobicContact CD2-CG2 3.67Å; L67-V180 HydrophobicContact CG-CG2 4.07Å; A70-V180 HydrophobicContact CB-CG1 4.1Å; L176-V180 HydrophobicContact CD1-CG2 4.08Å; L176-V180 HydrophobicContact CG-CG2 4.47Å; L176-V180 WeakPolarHBondContact O-CB 3.46Å; L176-V180 VanDerWaalsContact O-CG2 3.23Å; L176-V180 WeakPolarHBondContact O-CG2 3.4Å; L176-V180 PolarHBondContact O-N 2.95Å
181	L	97.4	Very high	97.2	Very high	41 Å²	41	10.4 Å²	10.4	22%	0.215	6%	0.056	C	C	.	.	H	α-helix	trans	-107.8	-7.5	-167.4	-58.7	168.4	0	0	0	115	A177 L179 F423 T424 S427	A177-L181 VanDerWaalsContact O-CB 3.29Å; A177-L181 WeakPolarHBondContact O-CB 3.29Å; A177-L181 WeakPolarHBondContact O-CG 3.31Å; A177-L181 PolarHBondContact O-N 3.1Å; A177-L181 VanDerWaalsContact O-N 3.08Å; L179-L181 VanDerWaalsContact C-N 3.29Å; L179-L181 PolarHBondContact O-N 2.81Å; L181-F423 HydrophobicContact CB-CD1 4.36Å; L181-F423 HydrophobicContact CB-CE1 3.96Å; L181-T424 HydrophobicContact CD1-CG2 4.15Å; L181-T424 WeakPolarHBondContact CD1-OG1 3.23Å; L181-T424 HydrophobicContact CD2-CG2 4.39Å; L181-S427 WeakPolarHBondContact O-CB 3.42Å
182	S	97.1	Very high	97.4	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.007	6%	0.055	C	C	.	.			trans	-69.6	139.7	-179.9	52.7	0	0	0	0	113.5	F178 L179 G184 M185 F186 F316	F178-S182 WeakPolarHBondContact O-CB 3.27Å; F178-S182 PolarHBondContact O-N 3.09Å; F178-S182 PolarHBondContact O-OG 3.47Å; L179-S182 PolarHBondContact O-OG 3.36Å; S182-G184 VanDerWaalsContact C-N 3.31Å; S182-G184 PolarHBondContact O-N 2.99Å; S182-M185 VanDerWaalsContact OG-CB 3.26Å; S182-M185 WeakPolarHBondContact OG-CB 3.36Å; S182-M185 WeakPolarHBondContact OG-CG 3.48Å; S182-M185 PolarHBondContact OG-N 2.98Å; S182-F186 PolarHBondContact O-N 2.91Å; S182-F186 VanDerWaalsContact O-N 3.14Å; S182-F316 VanDerWaalsContact CB-CE1 3.42Å
183	T	97.9	Very high	97.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.4	-42.6	168.9	-37.8	0	0	0	0	110.9	M185 F186 C187 N315 S427 R430 L434	T183-M185 VanDerWaalsContact C-N 3.31Å; T183-M185 PolarHBondContact O-N 3.41Å; T183-F186 CarbonylContact O-C 3.56Å; T183-F186 WeakPolarHBondContact O-CA 3.35Å; T183-F186 WeakPolarHBondContact O-CB 3.4Å; T183-F186 PolarHBondContact O-N 3.46Å; T183-C187 PolarHBondContact O-N 3.38Å; T183-N315 WeakPolarHBondContact CB-OD1 3.1Å; T183-N315 WeakPolarHBondContact CG2-OD1 3.41Å; T183-N315 PolarHBondContact N-O 2.52Å; T183-S427 PolarHBondContact OG1-O 3.42Å; T183-R430 HydrophobicContact CG2-CB 4.19Å; T183-R430 HydrophobicContact CG2-CG 3.41Å; T183-R430 VanDerWaalsContact CG2-CG 3.41Å; T183-R430 WeakPolarHBondContact OG1-CG 3.41Å; T183-L434 HydrophobicContact CG2-CD1 3.69Å
184	G	97.4	Very high	97.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-57.6	-44.6	-176.2	0	0	0	0	0	112.2	S182 C187 S188 N315 Y378	S182-G184 VanDerWaalsContact C-N 3.31Å; S182-G184 PolarHBondContact O-N 2.99Å; G184-C187 PolarHBondContact O-N 3.1Å; G184-S188 WeakPolarHBondContact O-CB 3.26Å; G184-S188 PolarHBondContact O-N 3.26Å; G184-S188 PolarHBondContact O-OG 3.33Å; G184-S188 VanDerWaalsContact O-OG 3.11Å; G184-N315 PolarHBondContact N-O 3.29Å; G184-Y378 VanDerWaalsContact C-CD2 3.45Å; G184-Y378 VanDerWaalsContact CA-CE2 3.45Å; G184-Y378 WeakPolarHBondContact O-CD2 3.23Å; G184-Y378 VanDerWaalsContact O-CE2 3.27Å; G184-Y378 WeakPolarHBondContact O-CE2 3.19Å
185	M	98.1	Very high	97.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-72.8	-30.6	174.6	-60.1	-63.9	-62.1	0	0	112.7	R71 E156 L179 S182 T183 C187 S189 M199 P379	R71-M185 PolarHBondContact NH1-O 3.05Å; E156-M185 HydrophobicContact CG-CE 4.4Å; E156-M185 WeakPolarHBondContact OE1-CE 3.28Å; L179-M185 HydrophobicContact CD2-CE 4.24Å; L179-M185 HydrophobicContact CD2-CG 4.21Å; L179-M185 HydrophobicContact CD2-SD 4.28Å; S182-M185 VanDerWaalsContact OG-CB 3.26Å; S182-M185 WeakPolarHBondContact OG-CB 3.36Å; S182-M185 WeakPolarHBondContact OG-CG 3.48Å; S182-M185 PolarHBondContact OG-N 2.98Å; T183-M185 VanDerWaalsContact C-N 3.31Å; T183-M185 PolarHBondContact O-N 3.41Å; M185-C187 VanDerWaalsContact C-N 3.3Å; M185-C187 PolarHBondContact O-N 3.19Å; M185-S189 WeakPolarHBondContact O-CB 3.2Å; M185-S189 PolarHBondContact O-N 2.82Å; M185-S189 VanDerWaalsContact O-N 3.1Å; M185-S189 PolarHBondContact O-OG 3.16Å; M185-M199 HydrophobicContact CE-CE 3.71Å; M185-M199 HydrophobicContact CE-SD 3.66Å; M185-M199 HydrophobicContact SD-CE 4.3Å; M185-M199 HydrophobicContact SD-SD 3.55Å; M185-P379 HydrophobicContact CE-CG 4.1Å; M185-P379 HydrophobicContact SD-CG 3.99Å
186	F	97.7	Very high	97.5	Very high	27 Å²	27	8.2 Å²	8.2	12%	0.118	5%	0.049	C	C	.	.	H	α-helix	trans	-61.4	-37.3	171.5	169.2	-97.9	0	0	0	112.1	A74 L77 S78 S182 T183	A74-F186 HydrophobicContact CB-CD2 3.88Å; A74-F186 HydrophobicContact CB-CE2 4.4Å; A74-F186 VanDerWaalsContact CB-O 3.28Å; A74-F186 WeakPolarHBondContact CB-O 3.42Å; L77-F186 HydrophobicContact CB-CE2 4.14Å; L77-F186 HydrophobicContact CB-CZ 4.01Å; S78-F186 VanDerWaalsContact CB-O 3.26Å; S78-F186 WeakPolarHBondContact CB-O 3.46Å; S182-F186 PolarHBondContact O-N 2.91Å; S182-F186 VanDerWaalsContact O-N 3.14Å; T183-F186 CarbonylContact O-C 3.56Å; T183-F186 WeakPolarHBondContact O-CA 3.35Å; T183-F186 WeakPolarHBondContact O-CB 3.4Å; T183-F186 PolarHBondContact O-N 3.46Å
187	C	96.8	Very high	97.5	Very high	20 Å²	20	9.1 Å²	9.1	14%	0.135	5%	0.053	C	C	.	.	H	α-helix	trans	-74.9	-54.1	173.6	-67.9	0	0	0	0	112.3	T183 G184 M185	T183-C187 PolarHBondContact O-N 3.38Å; G184-C187 PolarHBondContact O-N 3.1Å; M185-C187 VanDerWaalsContact C-N 3.3Å; M185-C187 PolarHBondContact O-N 3.19Å
188	S	97.2	Very high	97.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-73.5	-33	-168.8	67.7	0	0	0	0	114.8	G184 A190 A191 S196 M199	G184-S188 WeakPolarHBondContact O-CB 3.26Å; G184-S188 PolarHBondContact O-N 3.26Å; G184-S188 PolarHBondContact O-OG 3.33Å; G184-S188 VanDerWaalsContact O-OG 3.11Å; S188-A190 PolarHBondContact O-N 2.96Å; S188-A190 VanDerWaalsContact O-N 3.09Å; S188-A191 PolarHBondContact O-N 2.94Å; S188-S196 WeakPolarHBondContact O-CB 3.27Å; S188-S196 PolarHBondContact O-OG 3.08Å; S188-M199 VanDerWaalsContact OG-CE 3.24Å; S188-M199 WeakPolarHBondContact OG-CE 3.38Å; S188-M199 PolarHBondContact OG-SD 2.91Å
189	S	97.1	Very high	97.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.1	-165.2	61.4	0	0	0	0	117.1	R71 A149 C152 M185 Y200	R71-S189 WeakPolarHBondContact CD-OG 3.27Å; A149-S189 WeakPolarHBondContact CA-O 3.27Å; A149-S189 PolarHBondContact N-O 2.85Å; C152-S189 VanDerWaalsContact SG-CB 3.54Å; M185-S189 WeakPolarHBondContact O-CB 3.2Å; M185-S189 PolarHBondContact O-N 2.82Å; M185-S189 VanDerWaalsContact O-N 3.1Å; M185-S189 PolarHBondContact O-OG 3.16Å; S189-Y200 PolarHBondContact O-OH 3.43Å; S189-Y200 VanDerWaalsContact O-OH 3.11Å
190	A	96.8	Very high	97.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.2	2.9	175.4	0	0	0	0	0	113.6	A75 A149 S188	A75-A190 HydrophobicContact CB-CB 4.06Å; A149-A190 HydrophobicContact CB-CB 4.35Å; S188-A190 PolarHBondContact O-N 2.96Å; S188-A190 VanDerWaalsContact O-N 3.09Å
191	A	97.1	Very high	97.5	Very high	2 Å²	2	7.2 Å²	7.2	2%	0.017	4%	0.038	C	C	.	.			trans	-72.1	132.4	175.3	0	0	0	0	0	110.1	S188 L193 F375	S188-A191 PolarHBondContact O-N 2.94Å; A191-L193 HydrophobicContact CB-CD1 4.38Å; A191-L193 PolarHBondContact O-N 3.38Å; A191-F375 HydrophobicContact CB-CE2 4.38Å
192	F	97.4	Very high	97.6	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.			trans	-81.5	61.9	179.2	-172.7	-164.2	0	0	0	111.6	E85 Y89 W90 M93 Y118 L119 H122 L148	E85-F192 VanDerWaalsContact CD-N 3.33Å; E85-F192 HydrophobicContact CG-CB 4.05Å; E85-F192 PolarHBondContact OE1-N 2.89Å; Y89-F192 VanDerWaalsContact CB-O 3.3Å; Y89-F192 WeakPolarHBondContact CB-O 3.29Å; Y89-F192 HydrophobicContact CD1-CE2 4.47Å; Y89-F192 WeakPolarHBondContact CD2-O 3.33Å; Y89-F192 VanDerWaalsContact CG-O 3.28Å; Y89-F192 WeakPolarHBondContact O-CE1 3.15Å; W90-F192 AromaticContact CD2-CD1 3.86Å; W90-F192 HydrophobicContact CD2-CD1 3.86Å; W90-F192 AromaticContact CE2-CD1 3.92Å; W90-F192 HydrophobicContact CE3-CD1 4.12Å; W90-F192 HydrophobicContact CG-CD1 4.26Å; W90-F192 HydrophobicContact CH2-CD1 4.46Å; W90-F192 HydrophobicContact CZ2-CB 3.79Å; W90-F192 HydrophobicContact CZ2-CD1 4.2Å; W90-F192 HydrophobicContact CZ2-CG 4.44Å; W90-F192 HydrophobicContact CZ3-CD1 4.42Å; M93-F192 HydrophobicContact CB-CE1 4.12Å; M93-F192 HydrophobicContact CE-CD1 4.06Å; M93-F192 HydrophobicContact CE-CE1 3.57Å; M93-F192 HydrophobicContact CE-CZ 4.47Å; M93-F192 HydrophobicContact SD-CE1 3.72Å; M93-F192 HydrophobicContact SD-CZ 4.08Å; Y118-F192 HydrophobicContact CD1-CE2 4.46Å; Y118-F192 HydrophobicContact CE1-CD2 4.25Å; Y118-F192 AromaticContact CE1-CE2 3.71Å; Y118-F192 HydrophobicContact CE1-CE2 3.71Å; L119-F192 HydrophobicContact CD2-CZ 4.17Å; H122-F192 HydrophobicContact CB-CE2 3.65Å; H122-F192 HydrophobicContact CB-CZ 3.73Å; H122-F192 AromaticContact CD2-CE2 3.53Å; H122-F192 AromaticContact CG-CE2 3.62Å; L148-F192 HydrophobicContact CD1-CB 3.89Å; L148-F192 HydrophobicContact CD1-CD2 4.45Å; L148-F192 HydrophobicContact CD1-CG 4.35Å
193	L	96.9	Very high	97.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	S	Bend	trans	-124.4	142.9	-178.1	-71.8	171.6	0	0	0	111.5	D82 D84 E85 Y89 Y118 A191 S195 S196 F197 R372 F375	D82-L193 HydrophobicContact CB-CD1 4.49Å; D84-L193 HydrophobicContact CB-CD2 4.49Å; E85-L193 HydrophobicContact CB-CD2 3.98Å; E85-L193 HydrophobicContact CB-CG 4.09Å; E85-L193 HydrophobicContact CG-CD2 4.41Å; E85-L193 HydrophobicContact CG-CG 4.12Å; Y89-L193 HydrophobicContact CD2-CD2 3.95Å; Y89-L193 HydrophobicContact CE2-CD2 3.99Å; Y118-L193 VanDerWaalsContact OH-C 3.25Å; Y118-L193 PolarHBondContact OH-O 3.38Å; A191-L193 HydrophobicContact CB-CD1 4.38Å; A191-L193 PolarHBondContact O-N 3.38Å; L193-S195 PolarHBondContact O-N 3.4Å; L193-S195 VanDerWaalsContact O-N 3.14Å; L193-S196 WeakPolarHBondContact O-CA 3.32Å; L193-S196 WeakPolarHBondContact O-CB 3.3Å; L193-S196 PolarHBondContact O-N 2.91Å; L193-F197 PolarHBondContact O-N 2.9Å; L193-F197 VanDerWaalsContact O-N 3.1Å; L193-R372 HydrophobicContact CD1-CB 4.05Å; L193-F375 HydrophobicContact CD1-CE2 4.15Å
194	P	96.7	Very high	97.7	Very high	10 Å²	10	8.1 Å²	8.1	7%	0.065	4%	0.043	C	C	.	.	H	α-helix	trans	-58.3	-26.6	173.6	-24.8	33	0	0	0	113.6	Y89 Y118 S196 F197 C198 G228 W229	Y89-P194 HydrophobicContact CE1-CG 3.78Å; Y89-P194 HydrophobicContact CE2-CG 4.26Å; Y89-P194 VanDerWaalsContact CZ-CG 3.5Å; Y89-P194 WeakPolarHBondContact OH-CD 3.24Å; Y89-P194 WeakPolarHBondContact OH-CG 3.23Å; Y118-P194 HydrophobicContact CD1-CG 4.42Å; Y118-P194 HydrophobicContact CE1-CG 3.93Å; Y118-P194 HydrophobicContact CE2-CB 4.48Å; Y118-P194 HydrophobicContact CE2-CG 4.46Å; P194-S196 VanDerWaalsContact C-N 3.32Å; P194-S196 PolarHBondContact O-N 2.59Å; P194-F197 PolarHBondContact O-N 3.03Å; P194-C198 WeakPolarHBondContact O-CB 3.42Å; P194-C198 PolarHBondContact O-N 3.11Å; P194-C198 PolarHBondContact O-SG 3.08Å; P194-G228 WeakPolarHBondContact CB-O 3.41Å; P194-W229 HydrophobicContact CB-CB 4.26Å
195	S	96.9	Very high	97.8	Very high	6 Å²	6	8.2 Å²	8.2	4%	0.042	4%	0.043	C	C	.	.	H	α-helix	trans	-63.6	-35.9	173.1	-43.4	0	0	0	0	112.3	L193 M199 R372	L193-S195 PolarHBondContact O-N 3.4Å; L193-S195 VanDerWaalsContact O-N 3.14Å; S195-M199 PolarHBondContact O-N 3.46Å; S195-M199 VanDerWaalsContact O-N 3.08Å; S195-R372 WeakPolarHBondContact CB-O 3.3Å
196	S	97.8	Very high	97.8	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.007	4%	0.044	C	C	.	.	H	α-helix	trans	-73.1	-39.3	171.6	-63.3	0	0	0	0	111.7	S188 L193 P194 C198 M199 Y200 F375	S188-S196 WeakPolarHBondContact O-CB 3.27Å; S188-S196 PolarHBondContact O-OG 3.08Å; L193-S196 WeakPolarHBondContact O-CA 3.32Å; L193-S196 WeakPolarHBondContact O-CB 3.3Å; L193-S196 PolarHBondContact O-N 2.91Å; P194-S196 VanDerWaalsContact C-N 3.32Å; P194-S196 PolarHBondContact O-N 2.59Å; S196-C198 VanDerWaalsContact C-N 3.32Å; S196-C198 PolarHBondContact O-N 2.74Å; S196-M199 VanDerWaalsContact O-CB 3.25Å; S196-M199 WeakPolarHBondContact O-CB 3.32Å; S196-M199 PolarHBondContact O-N 3.44Å; S196-M199 VanDerWaalsContact O-N 3.1Å; S196-Y200 WeakPolarHBondContact O-CD1 3.32Å; S196-Y200 WeakPolarHBondContact O-CE1 3.48Å; S196-Y200 VanDerWaalsContact O-CG 3.31Å; S196-Y200 PolarHBondContact O-N 3.21Å; S196-Y200 VanDerWaalsContact O-N 3.07Å; S196-F375 VanDerWaalsContact OG-CD2 3.28Å; S196-F375 WeakPolarHBondContact OG-CD2 3.37Å
197	F	98.3	Very high	97.8	Very high	29 Å²	29	7.1 Å²	7.1	13%	0.127	4%	0.039	C	C	.	.	H	α-helix	trans	-59.5	-43.2	171.5	-175.5	-97.4	0	0	0	111.8	Y118 L121 H122 L193 P194 M199 Y200 T201 V227	Y118-F197 HydrophobicContact CE2-CB 3.88Å; Y118-F197 HydrophobicContact CE2-CD1 4.3Å; Y118-F197 HydrophobicContact CE2-CD2 4.31Å; Y118-F197 AromaticContact CE2-CG 3.92Å; Y118-F197 HydrophobicContact CE2-CG 3.92Å; L121-F197 HydrophobicContact CD2-CD2 4.42Å; L121-F197 HydrophobicContact CD2-CE2 3.62Å; L121-F197 HydrophobicContact CD2-CZ 3.89Å; H122-F197 AromaticContact NE2-CD2 3.99Å; L193-F197 PolarHBondContact O-N 2.9Å; L193-F197 VanDerWaalsContact O-N 3.1Å; P194-F197 PolarHBondContact O-N 3.03Å; F197-M199 VanDerWaalsContact C-N 3.26Å; F197-M199 PolarHBondContact O-N 3.48Å; F197-Y200 HydrophobicContact CD2-CD2 4.45Å; F197-Y200 WeakPolarHBondContact O-CA 3.4Å; F197-Y200 WeakPolarHBondContact O-CB 3.35Å; F197-Y200 PolarHBondContact O-N 3.27Å; F197-T201 HydrophobicContact CD1-CG2 3.96Å; F197-T201 HydrophobicContact CE1-CG2 3.56Å; F197-T201 HydrophobicContact CZ-CG2 3.87Å; F197-T201 WeakPolarHBondContact O-CG2 3.42Å; F197-T201 PolarHBondContact O-N 2.61Å; F197-T201 PolarHBondContact O-OG1 3.28Å; F197-V227 HydrophobicContact CE1-CB 4.02Å; F197-V227 HydrophobicContact CE1-CG1 4.09Å; F197-V227 HydrophobicContact CZ-CB 4.42Å; F197-V227 HydrophobicContact CZ-CG1 4.18Å
198	C	98.4	Very high	97.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.6	-26.9	174.5	-68.1	0	0	0	0	113.4	P194 S196 T201 T202 G224 W229 S232 P376	P194-C198 WeakPolarHBondContact O-CB 3.42Å; P194-C198 PolarHBondContact O-N 3.11Å; P194-C198 PolarHBondContact O-SG 3.08Å; S196-C198 VanDerWaalsContact C-N 3.32Å; S196-C198 PolarHBondContact O-N 2.74Å; C198-T201 WeakPolarHBondContact CA-OG1 3.25Å; C198-T201 PolarHBondContact O-OG1 3.15Å; C198-T202 WeakPolarHBondContact O-CB 3.08Å; C198-T202 PolarHBondContact O-N 2.87Å; C198-T202 PolarHBondContact O-OG1 2.89Å; C198-G224 PolarHBondContact SG-O 3.4Å; C198-W229 PolarHBondContact SG-N 3.18Å; C198-W229 VanDerWaalsContact SG-N 3.39Å; C198-S232 VanDerWaalsContact SG-CB 3.59Å; C198-S232 PolarHBondContact SG-OG 2.98Å; C198-P376 HydrophobicContact CB-CB 4.29Å; C198-P376 HydrophobicContact CB-CG 3.92Å
199	M	98.6	Very high	97.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-67.8	-42.5	169.1	-173.6	-177.1	65.4	0	0	111.1	M185 S188 S195 S196 F197 T202 L203 F375 P379	M185-M199 HydrophobicContact CE-CE 3.71Å; M185-M199 HydrophobicContact CE-SD 3.66Å; M185-M199 HydrophobicContact SD-CE 4.3Å; M185-M199 HydrophobicContact SD-SD 3.55Å; S188-M199 VanDerWaalsContact OG-CE 3.24Å; S188-M199 WeakPolarHBondContact OG-CE 3.38Å; S188-M199 PolarHBondContact OG-SD 2.91Å; S195-M199 PolarHBondContact O-N 3.46Å; S195-M199 VanDerWaalsContact O-N 3.08Å; S196-M199 VanDerWaalsContact O-CB 3.25Å; S196-M199 WeakPolarHBondContact O-CB 3.32Å; S196-M199 PolarHBondContact O-N 3.44Å; S196-M199 VanDerWaalsContact O-N 3.1Å; F197-M199 VanDerWaalsContact C-N 3.26Å; F197-M199 PolarHBondContact O-N 3.48Å; M199-T202 PolarHBondContact O-N 3.14Å; M199-L203 WeakPolarHBondContact O-CG 3.47Å; M199-L203 PolarHBondContact O-N 2.73Å; M199-F375 WeakPolarHBondContact CB-O 3.39Å; M199-F375 WeakPolarHBondContact CG-O 3.37Å; M199-F375 VanDerWaalsContact SD-O 3.35Å; M199-P379 HydrophobicContact CG-CG 3.65Å; M199-P379 HydrophobicContact SD-CG 4.12Å
200	Y	98.6	Very high	97.7	Very high	10 Å²	10	6.5 Å²	6.5	4%	0.039	3%	0.034	C	C	.	.	H	α-helix	trans	-65	-44.7	175.8	-46.7	-24.4	0	0	0	111.3	L148 C152 S189 S196 F197 T202 L203 I204	L148-Y200 HydrophobicContact CD2-CE2 4.26Å; C152-Y200 HydrophobicContact CB-CD1 3.83Å; C152-Y200 HydrophobicContact CB-CE1 3.41Å; C152-Y200 VanDerWaalsContact CB-CE1 3.41Å; S189-Y200 PolarHBondContact O-OH 3.43Å; S189-Y200 VanDerWaalsContact O-OH 3.11Å; S196-Y200 WeakPolarHBondContact O-CD1 3.32Å; S196-Y200 WeakPolarHBondContact O-CE1 3.48Å; S196-Y200 VanDerWaalsContact O-CG 3.31Å; S196-Y200 PolarHBondContact O-N 3.21Å; S196-Y200 VanDerWaalsContact O-N 3.07Å; F197-Y200 HydrophobicContact CD2-CD2 4.45Å; F197-Y200 WeakPolarHBondContact O-CA 3.4Å; F197-Y200 WeakPolarHBondContact O-CB 3.35Å; F197-Y200 PolarHBondContact O-N 3.27Å; Y200-T202 VanDerWaalsContact C-N 3.34Å; Y200-T202 PolarHBondContact O-N 3Å; Y200-L203 WeakPolarHBondContact O-CB 3.49Å; Y200-L203 PolarHBondContact O-N 3.14Å; Y200-I204 WeakPolarHBondContact O-CG1 3.17Å; Y200-I204 PolarHBondContact O-N 3.07Å
201	T	98.6	Very high	97.5	Very high	5 Å²	5	10 Å²	10	3%	0.031	5%	0.05	C	C	.	.	H	α-helix	trans	-72.4	-27.4	178.7	65.8	0	0	0	0	112.7	F197 C198 I204 A205 G220 A223 G224	F197-T201 HydrophobicContact CD1-CG2 3.96Å; F197-T201 HydrophobicContact CE1-CG2 3.56Å; F197-T201 HydrophobicContact CZ-CG2 3.87Å; F197-T201 WeakPolarHBondContact O-CG2 3.42Å; F197-T201 PolarHBondContact O-N 2.61Å; F197-T201 PolarHBondContact O-OG1 3.28Å; C198-T201 WeakPolarHBondContact CA-OG1 3.25Å; C198-T201 PolarHBondContact O-OG1 3.15Å; T201-I204 PolarHBondContact O-N 2.88Å; T201-A205 VanDerWaalsContact O-CB 3.32Å; T201-A205 WeakPolarHBondContact O-CB 3.48Å; T201-A205 PolarHBondContact O-N 3.47Å; T201-G220 WeakPolarHBondContact CB-O 3.41Å; T201-A223 HydrophobicContact CG2-CB 3.68Å; T201-G224 WeakPolarHBondContact OG1-CA 3.47Å; T201-G224 PolarHBondContact OG1-N 3.08Å
202	T	98.6	Very high	97.3	Very high	5 Å²	5	13.8 Å²	13.8	3%	0.031	7%	0.07	C	C	.	.	H	α-helix	trans	-64.5	-44.5	168.1	-67.8	0	0	0	0	111.7	C198 M199 Y200 I204 A205 M206 I235 P376 L380	C198-T202 WeakPolarHBondContact O-CB 3.08Å; C198-T202 PolarHBondContact O-N 2.87Å; C198-T202 PolarHBondContact O-OG1 2.89Å; M199-T202 PolarHBondContact O-N 3.14Å; Y200-T202 VanDerWaalsContact C-N 3.34Å; Y200-T202 PolarHBondContact O-N 3Å; T202-I204 VanDerWaalsContact C-N 3.29Å; T202-I204 PolarHBondContact O-N 3.49Å; T202-A205 PolarHBondContact O-N 3.39Å; T202-M206 HydrophobicContact CG2-CG 4.2Å; T202-M206 WeakPolarHBondContact O-CB 3.31Å; T202-M206 VanDerWaalsContact O-CG 3.24Å; T202-M206 WeakPolarHBondContact O-CG 3.45Å; T202-M206 PolarHBondContact O-N 3.43Å; T202-I235 HydrophobicContact CG2-CD1 4.29Å; T202-I235 HydrophobicContact CG2-CG2 3.83Å; T202-I235 WeakPolarHBondContact OG1-CD1 2.96Å; T202-P376 WeakPolarHBondContact CG2-O 3.38Å; T202-L380 HydrophobicContact CG2-CD1 4.06Å; T202-L380 HydrophobicContact CG2-CD2 4.18Å; T202-L380 HydrophobicContact CG2-CG 4.22Å
203	L	98.6	Very high	97.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.2	-43	172.6	-73.6	163.2	0	0	0	111.2	C155 E156 F159 M199 Y200 T207 P379	C155-L203 HydrophobicContact CB-CB 3.8Å; C155-L203 HydrophobicContact CB-CD1 3.79Å; C155-L203 HydrophobicContact CB-CG 4.44Å; E156-L203 HydrophobicContact CG-CD1 3.77Å; E156-L203 HydrophobicContact CG-CD2 4.47Å; F159-L203 HydrophobicContact CB-CB 4.4Å; F159-L203 HydrophobicContact CB-CD2 3.58Å; F159-L203 HydrophobicContact CD1-CD2 3.26Å; F159-L203 HydrophobicContact CD2-CD2 4.24Å; F159-L203 HydrophobicContact CE1-CD2 3.89Å; F159-L203 HydrophobicContact CG-CD2 3.45Å; F159-L203 VanDerWaalsContact CG-CD2 3.45Å; M199-L203 WeakPolarHBondContact O-CG 3.47Å; M199-L203 PolarHBondContact O-N 2.73Å; Y200-L203 WeakPolarHBondContact O-CB 3.49Å; Y200-L203 PolarHBondContact O-N 3.14Å; L203-T207 VanDerWaalsContact O-CB 3.23Å; L203-T207 WeakPolarHBondContact O-CB 3.3Å; L203-T207 PolarHBondContact O-N 3.24Å; L203-T207 PolarHBondContact O-OG1 2.8Å; L203-P379 HydrophobicContact CD1-CG 4.11Å; L203-P379 HydrophobicContact CD2-CB 3.56Å; L203-P379 HydrophobicContact CD2-CG 3.8Å; L203-P379 HydrophobicContact CG-CB 4.19Å; L203-P379 HydrophobicContact CG-CG 3.91Å
204	I	98.6	Very high	97.3	Very high	55 Å²	55	16.5 Å²	16.5	28%	0.282	9%	0.088	S	C	.	.	H	α-helix	trans	-64.3	-50.6	176	-67.9	168.5	0	0	0	111.5	Y200 T201 T202 M206 T207 G208 L216	Y200-I204 WeakPolarHBondContact O-CG1 3.17Å; Y200-I204 PolarHBondContact O-N 3.07Å; T201-I204 PolarHBondContact O-N 2.88Å; T202-I204 VanDerWaalsContact C-N 3.29Å; T202-I204 PolarHBondContact O-N 3.49Å; I204-M206 PolarHBondContact O-N 3.23Å; I204-T207 WeakPolarHBondContact O-CB 3.37Å; I204-T207 PolarHBondContact O-N 3.38Å; I204-G208 PolarHBondContact O-N 2.84Å; I204-L216 HydrophobicContact CG2-CD1 3.59Å; I204-L216 HydrophobicContact CG2-CG 3.99Å
205	A	98.4	Very high	97.3	Very high	2 Å²	2	18 Å²	18	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-59.1	-46.9	-178.8	0	0	0	0	0	111.7	T201 T202 G208 W209 V221 I239	T201-A205 VanDerWaalsContact O-CB 3.32Å; T201-A205 WeakPolarHBondContact O-CB 3.48Å; T201-A205 PolarHBondContact O-N 3.47Å; T202-A205 PolarHBondContact O-N 3.39Å; A205-G208 PolarHBondContact O-N 3.1Å; A205-W209 WeakPolarHBondContact O-CB 3.35Å; A205-W209 PolarHBondContact O-N 2.98Å; A205-V221 HydrophobicContact CB-CG2 3.87Å; A205-I239 HydrophobicContact CB-CD1 4.07Å
206	M	98.1	Very high	97.3	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-69.9	-34.6	178.6	-64.3	-70	-85.5	0	0	111.7	F159 T202 I204 W209 F210 I239 P355 L380	F159-M206 HydrophobicContact CD2-CB 4.12Å; F159-M206 HydrophobicContact CE2-CB 3.71Å; T202-M206 HydrophobicContact CG2-CG 4.2Å; T202-M206 WeakPolarHBondContact O-CB 3.31Å; T202-M206 VanDerWaalsContact O-CG 3.24Å; T202-M206 WeakPolarHBondContact O-CG 3.45Å; T202-M206 PolarHBondContact O-N 3.43Å; I204-M206 PolarHBondContact O-N 3.23Å; M206-W209 HydrophobicContact CE-CE3 4.26Å; M206-W209 HydrophobicContact CE-CZ3 4.17Å; M206-W209 HydrophobicContact SD-CE3 3.68Å; M206-W209 HydrophobicContact SD-CZ3 3.98Å; M206-F210 HydrophobicContact CE-CE1 3.87Å; M206-F210 HydrophobicContact CE-CE2 4.5Å; M206-F210 HydrophobicContact CE-CZ 3.57Å; M206-F210 WeakPolarHBondContact O-CB 3.49Å; M206-F210 VanDerWaalsContact O-CD1 3.32Å; M206-F210 WeakPolarHBondContact O-CD1 3.21Å; M206-F210 WeakPolarHBondContact O-CG 3.29Å; M206-F210 PolarHBondContact O-N 2.78Å; M206-F210 HydrophobicContact SD-CE1 4.39Å; M206-I239 HydrophobicContact SD-CD1 4.22Å; M206-P355 HydrophobicContact CE-CG 3.96Å; M206-P355 HydrophobicContact SD-CG 4.14Å; M206-L380 HydrophobicContact CE-CD2 3.91Å; M206-L380 HydrophobicContact CG-CD2 4.13Å
207	T	98.1	Very high	97.3	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-58.3	-52.2	169.4	-64.8	0	0	0	0	111	F159 A162 L203 I204 W209 F210 Q211 L216	F159-T207 WeakPolarHBondContact CA-OG1 3.49Å; F159-T207 PolarHBondContact N-OG1 3.41Å; A162-T207 HydrophobicContact CB-CG2 4.17Å; L203-T207 VanDerWaalsContact O-CB 3.23Å; L203-T207 WeakPolarHBondContact O-CB 3.3Å; L203-T207 PolarHBondContact O-N 3.24Å; L203-T207 PolarHBondContact O-OG1 2.8Å; I204-T207 WeakPolarHBondContact O-CB 3.37Å; I204-T207 PolarHBondContact O-N 3.38Å; T207-W209 PolarHBondContact O-N 3.49Å; T207-F210 PolarHBondContact O-N 3.12Å; T207-Q211 WeakPolarHBondContact O-CB 3.2Å; T207-Q211 WeakPolarHBondContact O-CG 3.45Å; T207-Q211 PolarHBondContact O-N 2.92Å; T207-L216 HydrophobicContact CG2-CD2 4.04Å
208	G	97.3	Very high	97.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.4	-50.1	178.6	0	0	0	0	0	111.7	I204 A205 F210 Q211 D212 S213	I204-G208 PolarHBondContact O-N 2.84Å; A205-G208 PolarHBondContact O-N 3.1Å; G208-F210 PolarHBondContact O-N 2.86Å; G208-Q211 CarbonylContact O-C 3.55Å; G208-Q211 PolarHBondContact O-N 3.17Å; G208-D212 PolarHBondContact O-N 3.49Å; G208-S213 CarbonylContact C-O 3.49Å; G208-S213 PolarHBondContact O-N 3.44Å
209	W	96.3	Very high	97.3	Very high	2 Å²	2	22 Å²	22	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-43.5	178	-169.7	40.6	0	0	0	112.2	A205 M206 T207 Q211 D212 A217 P238 I239 D242 R347 L351 P355	A205-W209 WeakPolarHBondContact O-CB 3.35Å; A205-W209 PolarHBondContact O-N 2.98Å; M206-W209 HydrophobicContact CE-CE3 4.26Å; M206-W209 HydrophobicContact CE-CZ3 4.17Å; M206-W209 HydrophobicContact SD-CE3 3.68Å; M206-W209 HydrophobicContact SD-CZ3 3.98Å; T207-W209 PolarHBondContact O-N 3.49Å; W209-Q211 VanDerWaalsContact C-N 3.29Å; W209-Q211 PolarHBondContact O-N 2.97Å; W209-D212 PolarHBondContact O-N 3.27Å; W209-A217 HydrophobicContact CB-CB 4.26Å; W209-P238 HydrophobicContact CH2-CB 4.06Å; W209-P238 WeakPolarHBondContact CZ2-O 3.45Å; W209-I239 HydrophobicContact CB-CD1 4.31Å; W209-I239 HydrophobicContact CB-CG1 4.46Å; W209-I239 HydrophobicContact CB-CG2 4.26Å; W209-I239 HydrophobicContact CD2-CB 4.38Å; W209-I239 HydrophobicContact CD2-CD1 4.47Å; W209-I239 HydrophobicContact CD2-CG1 3.79Å; W209-I239 HydrophobicContact CD2-CG2 4.37Å; W209-I239 HydrophobicContact CE3-CD1 4.38Å; W209-I239 HydrophobicContact CE3-CG1 3.81Å; W209-I239 HydrophobicContact CG-CB 4.47Å; W209-I239 HydrophobicContact CG-CD1 4.49Å; W209-I239 HydrophobicContact CG-CG1 4.12Å; W209-I239 HydrophobicContact CG-CG2 3.96Å; W209-I239 HydrophobicContact CZ3-CG1 4.23Å; W209-D242 HydrophobicContact CZ2-CB 3.82Å; W209-D242 PolarHBondContact NE1-OD2 3.09Å; W209-R347 VanDerWaalsContact CD1-CZ 3.43Å; W209-R347 PolarHBondContact O-NH1 3.34Å; W209-L351 HydrophobicContact CH2-CD1 4.47Å; W209-L351 HydrophobicContact CH2-CG 4.1Å; W209-L351 HydrophobicContact CZ2-CD1 4.45Å; W209-L351 HydrophobicContact CZ2-CD2 4.39Å; W209-L351 HydrophobicContact CZ2-CG 4.04Å; W209-P355 HydrophobicContact CZ3-CG 4.3Å
210	F	95	Very high	97.3	Very high	6 Å²	6	22.1 Å²	22.1	3%	0.026	12%	0.12	C	C	.	.	H	α-helix	trans	-75.4	-14.5	-178.8	-67.9	2.9	0	0	0	114	F159 A162 V163 K166 F167 M206 T207 G208 L383	F159-F210 HydrophobicContact CE2-CD2 4.25Å; F159-F210 AromaticContact CE2-CE2 3.8Å; F159-F210 HydrophobicContact CE2-CE2 3.8Å; F159-F210 HydrophobicContact CZ-CE2 4.47Å; A162-F210 HydrophobicContact CB-CB 3.94Å; V163-F210 HydrophobicContact CG2-CD2 4.03Å; V163-F210 HydrophobicContact CG2-CE2 3.95Å; K166-F210 HydrophobicContact CD-CB 3.75Å; K166-F210 HydrophobicContact CD-CD1 3.66Å; K166-F210 HydrophobicContact CD-CD2 4.03Å; K166-F210 HydrophobicContact CD-CE1 4.22Å; K166-F210 HydrophobicContact CD-CG 3.52Å; F167-F210 HydrophobicContact CE2-CD2 4.12Å; F167-F210 AromaticContact CE2-CE2 3.62Å; F167-F210 HydrophobicContact CE2-CE2 3.62Å; F167-F210 AromaticContact CE2-CZ 3.88Å; F167-F210 HydrophobicContact CE2-CZ 3.88Å; F167-F210 HydrophobicContact CZ-CE2 4.42Å; F167-F210 HydrophobicContact CZ-CZ 4.24Å; M206-F210 HydrophobicContact CE-CE1 3.87Å; M206-F210 HydrophobicContact CE-CE2 4.5Å; M206-F210 HydrophobicContact CE-CZ 3.57Å; M206-F210 WeakPolarHBondContact O-CB 3.49Å; M206-F210 VanDerWaalsContact O-CD1 3.32Å; M206-F210 WeakPolarHBondContact O-CD1 3.21Å; M206-F210 WeakPolarHBondContact O-CG 3.29Å; M206-F210 PolarHBondContact O-N 2.78Å; M206-F210 HydrophobicContact SD-CE1 4.39Å; T207-F210 PolarHBondContact O-N 3.12Å; G208-F210 PolarHBondContact O-N 2.86Å; F210-L383 HydrophobicContact CE2-CD2 3.73Å; F210-L383 HydrophobicContact CZ-CD2 3.89Å
211	Q	94.3	Very high	97.2	Very high	73 Å²	73	23.3 Å²	23.3	34%	0.341	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	2.9	171.6	-64.1	-178.5	15.2	0	0	112.9	A162 T207 G208 W209 S213	A162-Q211 HydrophobicContact CB-CG 3.94Å; T207-Q211 WeakPolarHBondContact O-CB 3.2Å; T207-Q211 WeakPolarHBondContact O-CG 3.45Å; T207-Q211 PolarHBondContact O-N 2.92Å; G208-Q211 CarbonylContact O-C 3.55Å; G208-Q211 PolarHBondContact O-N 3.17Å; W209-Q211 VanDerWaalsContact C-N 3.29Å; W209-Q211 PolarHBondContact O-N 2.97Å; Q211-S213 PolarHBondContact O-N 3.43Å
212	D	93	Very high	97.2	Very high	82 Å²	82	23.9 Å²	23.9	44%	0.439	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	22.3	-174.7	-67.3	-69.1	0	0	0	115.3	G208 W209 I214 K247 R347	G208-D212 PolarHBondContact O-N 3.49Å; W209-D212 PolarHBondContact O-N 3.27Å; D212-I214 PolarHBondContact O-N 3.09Å; D212-K247 WeakPolarHBondContact OD1-CE 3.39Å; D212-K247 IonicContact OD1-NZ 2.76Å; D212-K247 PolarHBondContact OD1-NZ 3.49Å; D212-R347 IonicContact OD1-CZ 3.92Å; D212-R347 IonicContact OD1-NH1 2.75Å; D212-R347 IonicContact OD1-NH2 2.85Å; D212-R347 PolarHBondContact OD1-NH2 3Å
213	S	96.1	Very high	97.2	Very high	40 Å²	40	24.5 Å²	24.5	28%	0.28	14%	0.139	S	C	.	.			trans	-85.2	93	171	-176.9	0	0	0	0	110.6	G208 Q211 P215 L216 A217	G208-S213 CarbonylContact C-O 3.49Å; G208-S213 PolarHBondContact O-N 3.44Å; Q211-S213 PolarHBondContact O-N 3.43Å; S213-P215 VanDerWaalsContact C-N 3.33Å; S213-L216 PolarHBondContact O-N 3.41Å; S213-L216 WeakPolarHBondContact OG-CB 3.2Å; S213-A217 WeakPolarHBondContact O-CB 3.43Å; S213-A217 PolarHBondContact O-N 3.3Å
214	I	96.1	Very high	97.2	Very high	16 Å²	16	24.5 Å²	24.5	8%	0.082	14%	0.139	C	C	.	.	H	α-helix	trans	-49.4	-46.3	170.2	-49.9	170.6	0	0	0	112.2	D212 L216 A217 V218 L243 E249 S252	D212-I214 PolarHBondContact O-N 3.09Å; I214-L216 PolarHBondContact O-N 3.33Å; I214-A217 PolarHBondContact O-N 2.85Å; I214-V218 HydrophobicContact CG2-CG2 4.06Å; I214-V218 WeakPolarHBondContact O-CG2 3.44Å; I214-V218 PolarHBondContact O-N 2.9Å; I214-L243 HydrophobicContact CG1-CD2 3.99Å; I214-L243 HydrophobicContact CG2-CD1 4.14Å; I214-E249 HydrophobicContact CD1-CB 4.01Å; I214-E249 HydrophobicContact CD1-CG 4.23Å; I214-E249 VanDerWaalsContact CD1-OE2 3.31Å; I214-E249 WeakPolarHBondContact CD1-OE2 3.4Å; I214-S252 WeakPolarHBondContact CD1-OG 3.5Å
215	P	97.3	Very high	97.1	Very high	43 Å²	43	22.4 Å²	22.4	28%	0.279	13%	0.131	S	C	.	.	H	α-helix	trans	-57.1	-49.6	179.9	-19.2	27.7	0	0	0	111.9	S213 A217 M219 W256	S213-P215 VanDerWaalsContact C-N 3.33Å; P215-A217 VanDerWaalsContact C-N 3.35Å; P215-A217 PolarHBondContact O-N 2.62Å; P215-M219 WeakPolarHBondContact O-CB 3.26Å; P215-M219 WeakPolarHBondContact O-CG 3.41Å; P215-M219 PolarHBondContact O-N 2.83Å; P215-W256 HydrophobicContact CB-CD2 3.76Å; P215-W256 HydrophobicContact CB-CE3 3.97Å; P215-W256 HydrophobicContact CB-CG 4.42Å; P215-W256 HydrophobicContact CB-CH2 3.92Å; P215-W256 HydrophobicContact CB-CZ2 3.69Å; P215-W256 HydrophobicContact CB-CZ3 4.04Å; P215-W256 HydrophobicContact CG-CD2 4.17Å; P215-W256 HydrophobicContact CG-CH2 4.29Å; P215-W256 HydrophobicContact CG-CZ2 3.61Å
216	L	97.5	Very high	97	Very high	66 Å²	66	23.3 Å²	23.3	35%	0.346	14%	0.135	S	C	.	.	H	α-helix	trans	-70.6	-33	-176.4	-169.1	65.2	0	0	0	111.9	I204 T207 S213 I214 G220	I204-L216 HydrophobicContact CG2-CD1 3.59Å; I204-L216 HydrophobicContact CG2-CG 3.99Å; T207-L216 HydrophobicContact CG2-CD2 4.04Å; S213-L216 PolarHBondContact O-N 3.41Å; S213-L216 WeakPolarHBondContact OG-CB 3.2Å; I214-L216 PolarHBondContact O-N 3.33Å; L216-G220 PolarHBondContact O-N 2.99Å; L216-G220 VanDerWaalsContact O-N 3.08Å
217	A	97.7	Very high	97	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-65.2	-53.4	175	0	0	0	0	0	111.7	W209 S213 I214 P215 G220 V221 I239	W209-A217 HydrophobicContact CB-CB 4.26Å; S213-A217 WeakPolarHBondContact O-CB 3.43Å; S213-A217 PolarHBondContact O-N 3.3Å; I214-A217 PolarHBondContact O-N 2.85Å; P215-A217 VanDerWaalsContact C-N 3.35Å; P215-A217 PolarHBondContact O-N 2.62Å; A217-G220 PolarHBondContact O-N 2.93Å; A217-V221 WeakPolarHBondContact O-CG2 3.39Å; A217-V221 PolarHBondContact O-N 3.47Å; A217-V221 VanDerWaalsContact O-N 3.14Å; A217-I239 HydrophobicContact CB-CG2 4.02Å
218	V	98.2	Very high	96.9	Very high	8 Å²	8	24.9 Å²	24.9	5%	0.048	15%	0.148	C	C	.	.	H	α-helix	trans	-69.8	-44.9	-176.9	176.3	0	0	0	0	111.3	I214 G220 V221 A222 L243 F253 W256	I214-V218 HydrophobicContact CG2-CG2 4.06Å; I214-V218 WeakPolarHBondContact O-CG2 3.44Å; I214-V218 PolarHBondContact O-N 2.9Å; V218-G220 VanDerWaalsContact C-N 3.28Å; V218-G220 PolarHBondContact O-N 2.99Å; V218-V221 PolarHBondContact O-N 3.22Å; V218-A222 VanDerWaalsContact O-CB 3.28Å; V218-A222 WeakPolarHBondContact O-CB 3.33Å; V218-A222 PolarHBondContact O-N 2.77Å; V218-L243 HydrophobicContact CG2-CD1 4.24Å; V218-F253 HydrophobicContact CG2-CD2 3.9Å; V218-F253 HydrophobicContact CG2-CE2 4.2Å; V218-W256 HydrophobicContact CB-CB 3.92Å; V218-W256 HydrophobicContact CG1-CB 3.85Å; V218-W256 HydrophobicContact CG2-CB 4.31Å
219	M	97.9	Very high	96.7	Very high	45 Å²	45	26.1 Å²	26.1	22%	0.222	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-33.9	175.9	-68.4	-63.4	-63.1	0	0	112.1	P215 A223 W256 A260 L263 L264	P215-M219 WeakPolarHBondContact O-CB 3.26Å; P215-M219 WeakPolarHBondContact O-CG 3.41Å; P215-M219 PolarHBondContact O-N 2.83Å; M219-A223 VanDerWaalsContact O-CB 3.22Å; M219-A223 WeakPolarHBondContact O-CB 3.49Å; M219-A223 PolarHBondContact O-N 3.28Å; M219-W256 HydrophobicContact CG-CE3 4.3Å; M219-A260 HydrophobicContact SD-CB 3.57Å; M219-A260 VanDerWaalsContact SD-CB 3.57Å; M219-L263 HydrophobicContact CE-CD1 4.32Å; M219-L264 HydrophobicContact CE-CD1 4.13Å; M219-L264 HydrophobicContact CE-CG 4.26Å
220	G	98.1	Very high	96.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-63.6	-52.7	173.8	0	0	0	0	0	112.4	T201 L216 A217 V218 A222 A223 G224	T201-G220 WeakPolarHBondContact CB-O 3.41Å; L216-G220 PolarHBondContact O-N 2.99Å; L216-G220 VanDerWaalsContact O-N 3.08Å; A217-G220 PolarHBondContact O-N 2.93Å; V218-G220 VanDerWaalsContact C-N 3.28Å; V218-G220 PolarHBondContact O-N 2.99Å; G220-A222 VanDerWaalsContact C-N 3.31Å; G220-A222 PolarHBondContact O-N 3.23Å; G220-A223 PolarHBondContact O-N 2.81Å; G220-G224 PolarHBondContact O-N 3.34Å; G220-G224 VanDerWaalsContact O-N 3.08Å
221	V	98.3	Very high	96.6	Very high	35 Å²	35	29 Å²	29	21%	0.212	17%	0.167	C	C	.	.	H	α-helix	trans	-58.5	-45.1	176.7	176	0	0	0	0	110.9	A205 A217 V218 G224 G225 I239	A205-V221 HydrophobicContact CB-CG2 3.87Å; A217-V221 WeakPolarHBondContact O-CG2 3.39Å; A217-V221 PolarHBondContact O-N 3.47Å; A217-V221 VanDerWaalsContact O-N 3.14Å; V218-V221 PolarHBondContact O-N 3.22Å; V221-G224 PolarHBondContact O-N 3.14Å; V221-G225 PolarHBondContact O-N 3.01Å; V221-I239 HydrophobicContact CG2-CD1 3.96Å
222	A	98.2	Very high	96.7	Very high	17 Å²	17	25.8 Å²	25.8	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-67.6	-39	-178.7	0	0	0	0	0	112.8	V218 G220 G224 G225 I226 A260 L264	V218-A222 VanDerWaalsContact O-CB 3.28Å; V218-A222 WeakPolarHBondContact O-CB 3.33Å; V218-A222 PolarHBondContact O-N 2.77Å; G220-A222 VanDerWaalsContact C-N 3.31Å; G220-A222 PolarHBondContact O-N 3.23Å; A222-G224 VanDerWaalsContact C-N 3.34Å; A222-G224 PolarHBondContact O-N 3.5Å; A222-G225 PolarHBondContact O-N 2.89Å; A222-I226 HydrophobicContact CB-CD1 4.08Å; A222-I226 WeakPolarHBondContact O-CB 3.41Å; A222-I226 VanDerWaalsContact O-CG1 3.3Å; A222-I226 WeakPolarHBondContact O-CG1 3.49Å; A222-I226 PolarHBondContact O-N 3.3Å; A222-A260 HydrophobicContact CB-CB 3.48Å; A222-A260 VanDerWaalsContact CB-CB 3.48Å; A222-L264 HydrophobicContact CB-CD1 3.96Å
223	A	98.2	Very high	96.8	Very high	18 Å²	18	24.1 Å²	24.1	15%	0.149	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-42.7	173.3	0	0	0	0	0	111.4	T201 M219 G220 V227 G228 L264	T201-A223 HydrophobicContact CG2-CB 3.68Å; M219-A223 VanDerWaalsContact O-CB 3.22Å; M219-A223 WeakPolarHBondContact O-CB 3.49Å; M219-A223 PolarHBondContact O-N 3.28Å; G220-A223 PolarHBondContact O-N 2.81Å; A223-V227 WeakPolarHBondContact O-CB 2.92Å; A223-V227 PolarHBondContact O-N 2.98Å; A223-G228 PolarHBondContact O-N 2.82Å; A223-L264 HydrophobicContact CB-CD1 4.2Å
224	G	97.6	Very high	96.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	15%	0.148	C	C	.	.	I	π-helix	trans	-57.3	-54.6	172.3	0	0	0	0	0	112.3	C198 T201 G220 V221 A222 G228 W229 S232	C198-G224 PolarHBondContact SG-O 3.4Å; T201-G224 WeakPolarHBondContact OG1-CA 3.47Å; T201-G224 PolarHBondContact OG1-N 3.08Å; G220-G224 PolarHBondContact O-N 3.34Å; G220-G224 VanDerWaalsContact O-N 3.08Å; V221-G224 PolarHBondContact O-N 3.14Å; A222-G224 VanDerWaalsContact C-N 3.34Å; A222-G224 PolarHBondContact O-N 3.5Å; G224-G228 CarbonylContact O-C 3.45Å; G224-G228 WeakPolarHBondContact O-CA 3.24Å; G224-G228 PolarHBondContact O-N 3.32Å; G224-W229 PolarHBondContact O-N 3.44Å; G224-S232 WeakPolarHBondContact CA-OG 3.48Å; G224-S232 PolarHBondContact O-OG 3.45Å; G224-S232 VanDerWaalsContact O-OG 3.12Å
225	G	97.1	Very high	96.9	Very high	10 Å²	10	23.8 Å²	23.8	10%	0.103	15%	0.145	C	C	.	.	I	π-helix	trans	-73.1	-34	-173.7	0	0	0	0	0	115.2	V221 A222 P230 S232	V221-G225 PolarHBondContact O-N 3.01Å; A222-G225 PolarHBondContact O-N 2.89Å; G225-P230 WeakPolarHBondContact O-CA 3.42Å; G225-S232 PolarHBondContact N-OG 3.1Å
226	I	97.4	Very high	96.9	Very high	22 Å²	22	22 Å²	22	11%	0.113	14%	0.135	C	C	.	.	I	π-helix	trans	-90	-47.6	-175.6	-62	167.8	0	0	0	111.3	A222 L261 L264 L265 L268 P283	A222-I226 HydrophobicContact CB-CD1 4.08Å; A222-I226 WeakPolarHBondContact O-CB 3.41Å; A222-I226 VanDerWaalsContact O-CG1 3.3Å; A222-I226 WeakPolarHBondContact O-CG1 3.49Å; A222-I226 PolarHBondContact O-N 3.3Å; I226-L261 HydrophobicContact CD1-CD2 4.1Å; I226-L264 HydrophobicContact CB-CB 4.36Å; I226-L264 HydrophobicContact CD1-CB 4.12Å; I226-L264 HydrophobicContact CD1-CD1 4.36Å; I226-L264 HydrophobicContact CG2-CB 4.01Å; I226-L265 HydrophobicContact CD1-CB 4.41Å; I226-L265 HydrophobicContact CG2-CB 3.96Å; I226-L265 HydrophobicContact CG2-CD1 3.88Å; I226-L268 HydrophobicContact CG2-CD1 4.39Å; I226-L268 VanDerWaalsContact O-CD1 3.3Å; I226-L268 WeakPolarHBondContact O-CD1 3.44Å; I226-P283 WeakPolarHBondContact O-CG 3.49Å
227	V	97.4	Very high	96.9	Very high	19 Å²	19	25.3 Å²	25.3	12%	0.115	15%	0.146	C	C	.	.	I	π-helix	trans	-97.2	-32.8	-170	-177.7	0	0	0	0	111.9	Y118 L121 F197 A223 L264 L268	Y118-V227 HydrophobicContact CD2-CG1 4.29Å; Y118-V227 WeakPolarHBondContact CD2-O 3.35Å; L121-V227 HydrophobicContact CD2-CG1 3.99Å; F197-V227 HydrophobicContact CE1-CB 4.02Å; F197-V227 HydrophobicContact CE1-CG1 4.09Å; F197-V227 HydrophobicContact CZ-CB 4.42Å; F197-V227 HydrophobicContact CZ-CG1 4.18Å; A223-V227 WeakPolarHBondContact O-CB 2.92Å; A223-V227 PolarHBondContact O-N 2.98Å; V227-L264 HydrophobicContact CG2-CB 4.16Å; V227-L264 HydrophobicContact CG2-CD2 4.28Å; V227-L268 HydrophobicContact CG2-CD1 4.39Å
228	G	95.2	Very high	96.8	Very high	17 Å²	17	25.5 Å²	25.5	18%	0.175	15%	0.148	C	C	.	.	I	π-helix	trans	-88.2	-88.1	176.4	0	0	0	0	0	112.8	P194 A223 G224	P194-G228 WeakPolarHBondContact CB-O 3.41Å; A223-G228 PolarHBondContact O-N 2.82Å; G224-G228 CarbonylContact O-C 3.45Å; G224-G228 WeakPolarHBondContact O-CA 3.24Å; G224-G228 PolarHBondContact O-N 3.32Å
229	W	94	Very high	96.8	Very high	27 Å²	27	25.3 Å²	25.3	10%	0.102	15%	0.147	C	C	.	.			trans	-149.4	119.2	-170.5	-173.2	48.7	0	0	0	109.7	P194 C198 G224 F231 S232 W359 F363 F373	P194-W229 HydrophobicContact CB-CB 4.26Å; C198-W229 PolarHBondContact SG-N 3.18Å; C198-W229 VanDerWaalsContact SG-N 3.39Å; G224-W229 PolarHBondContact O-N 3.44Å; W229-F231 VanDerWaalsContact C-N 3.26Å; W229-F231 AromaticContact CD1-CD2 3.86Å; W229-F231 HydrophobicContact CD2-CB 4.18Å; W229-F231 HydrophobicContact CD2-CD2 4.19Å; W229-F231 AromaticContact CE2-CD2 3.61Å; W229-F231 HydrophobicContact CE3-CB 4.38Å; W229-F231 HydrophobicContact CG-CD2 4.33Å; W229-F231 HydrophobicContact CZ2-CB 4.29Å; W229-F231 HydrophobicContact CZ2-CD2 4.08Å; W229-F231 HydrophobicContact CZ2-CG 4.32Å; W229-F231 AromaticContact NE1-CD2 3.37Å; W229-F231 AromaticContact NE1-CE2 3.91Å; W229-F231 PolarHBondContact O-N 2.98Å; W229-F231 VanDerWaalsContact O-N 3.13Å; W229-S232 VanDerWaalsContact O-CB 3.27Å; W229-S232 WeakPolarHBondContact O-CB 3.28Å; W229-S232 PolarHBondContact O-N 2.78Å; W229-S232 PolarHBondContact O-OG 2.92Å; W229-W359 HydrophobicContact CE3-CH2 4.29Å; W229-W359 AromaticContact CZ3-CH2 3.91Å; W229-W359 HydrophobicContact CZ3-CH2 3.91Å; W229-W359 AromaticContact CZ3-CZ2 3.76Å; W229-W359 HydrophobicContact CZ3-CZ2 3.76Å; W229-F363 AromaticContact CH2-CE1 3.55Å; W229-F363 HydrophobicContact CH2-CE1 3.55Å; W229-F363 AromaticContact CH2-CZ 3.53Å; W229-F363 HydrophobicContact CH2-CZ 3.53Å; W229-F363 HydrophobicContact CZ2-CE1 4.24Å; W229-F363 HydrophobicContact CZ2-CZ 4.26Å; W229-F363 HydrophobicContact CZ3-CE1 4.38Å; W229-F363 HydrophobicContact CZ3-CZ 4.02Å; W229-F373 HydrophobicContact CH2-CB 4.05Å; W229-F373 AromaticContact CH2-CD1 3.35Å; W229-F373 HydrophobicContact CH2-CD1 3.35Å; W229-F373 AromaticContact CH2-CE1 3.98Å; W229-F373 HydrophobicContact CH2-CE1 3.98Å; W229-F373 AromaticContact CH2-CG 3.8Å; W229-F373 HydrophobicContact CH2-CG 3.8Å; W229-F373 AromaticContact CZ2-CD1 3.79Å; W229-F373 HydrophobicContact CZ2-CD1 3.79Å; W229-F373 AromaticContact CZ2-CE1 3.91Å; W229-F373 HydrophobicContact CZ2-CE1 3.91Å; W229-F373 HydrophobicContact CZ2-CG 4.48Å; W229-F373 HydrophobicContact CZ3-CB 4.5Å; W229-F373 HydrophobicContact CZ3-CD1 4.1Å
230	P	94.9	Very high	96.7	Very high	18 Å²	18	24.3 Å²	24.3	12%	0.117	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-61.2	-30.2	-167.1	20.4	-32.5	0	0	0	114.6	G225 S232 A233 I286 L287	G225-P230 WeakPolarHBondContact O-CA 3.42Å; P230-S232 PolarHBondContact O-N 2.71Å; P230-S232 VanDerWaalsContact O-N 3.16Å; P230-A233 VanDerWaalsContact O-CB 3.24Å; P230-A233 WeakPolarHBondContact O-CB 3.44Å; P230-A233 PolarHBondContact O-N 3.48Å; P230-I286 HydrophobicContact CG-CG2 3.58Å; P230-L287 HydrophobicContact CB-CD1 3.87Å; P230-L287 HydrophobicContact CB-CD2 4.03Å; P230-L287 HydrophobicContact CB-CG 3.83Å; P230-L287 HydrophobicContact CG-CD1 4.28Å; P230-L287 HydrophobicContact CG-CD2 4.02Å; P230-L287 HydrophobicContact CG-CG 3.72Å
231	F	94	Very high	96.7	Very high	51 Å²	51	27.9 Å²	27.9	22%	0.224	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59.8	-26.3	176.4	-59.5	-90.4	0	0	0	112.8	W229 A233 L234 L287 N290 V291 W359 F363	W229-F231 VanDerWaalsContact C-N 3.26Å; W229-F231 AromaticContact CD1-CD2 3.86Å; W229-F231 HydrophobicContact CD2-CB 4.18Å; W229-F231 HydrophobicContact CD2-CD2 4.19Å; W229-F231 AromaticContact CE2-CD2 3.61Å; W229-F231 HydrophobicContact CE3-CB 4.38Å; W229-F231 HydrophobicContact CG-CD2 4.33Å; W229-F231 HydrophobicContact CZ2-CB 4.29Å; W229-F231 HydrophobicContact CZ2-CD2 4.08Å; W229-F231 HydrophobicContact CZ2-CG 4.32Å; W229-F231 AromaticContact NE1-CD2 3.37Å; W229-F231 AromaticContact NE1-CE2 3.91Å; W229-F231 PolarHBondContact O-N 2.98Å; W229-F231 VanDerWaalsContact O-N 3.13Å; F231-A233 PolarHBondContact O-N 3.4Å; F231-A233 VanDerWaalsContact O-N 3.15Å; F231-L234 VanDerWaalsContact O-CB 3.29Å; F231-L234 WeakPolarHBondContact O-CB 3.29Å; F231-L234 PolarHBondContact O-N 2.6Å; F231-L234 VanDerWaalsContact O-N 3.15Å; F231-L287 HydrophobicContact CE1-CD2 4.06Å; F231-L287 HydrophobicContact CE2-CD2 4.04Å; F231-L287 HydrophobicContact CZ-CD2 3.76Å; F231-N290 HydrophobicContact CE2-CB 4.33Å; F231-N290 HydrophobicContact CZ-CB 3.75Å; F231-V291 HydrophobicContact CE1-CG2 3.85Å; F231-V291 HydrophobicContact CZ-CG2 3.95Å; F231-W359 VanDerWaalsContact O-CZ3 3.31Å; F231-W359 WeakPolarHBondContact O-CZ3 3.47Å; F231-F363 HydrophobicContact CB-CZ 4.09Å
232	S	96.2	Very high	96.6	Very high	5 Å²	5	26.3 Å²	26.3	4%	0.035	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-60.4	-21.1	175	70.2	0	0	0	0	114	C198 G224 G225 W229 P230 L234 I235	C198-S232 VanDerWaalsContact SG-CB 3.59Å; C198-S232 PolarHBondContact SG-OG 2.98Å; G224-S232 WeakPolarHBondContact CA-OG 3.48Å; G224-S232 PolarHBondContact O-OG 3.45Å; G224-S232 VanDerWaalsContact O-OG 3.12Å; G225-S232 PolarHBondContact N-OG 3.1Å; W229-S232 VanDerWaalsContact O-CB 3.27Å; W229-S232 WeakPolarHBondContact O-CB 3.28Å; W229-S232 PolarHBondContact O-N 2.78Å; W229-S232 PolarHBondContact O-OG 2.92Å; P230-S232 PolarHBondContact O-N 2.71Å; P230-S232 VanDerWaalsContact O-N 3.16Å; S232-L234 PolarHBondContact O-N 3.47Å; S232-L234 VanDerWaalsContact O-N 3.08Å; S232-I235 WeakPolarHBondContact O-CB 3.42Å; S232-I235 PolarHBondContact O-N 3.17Å
233	A	96.3	Very high	96.4	Very high	46 Å²	46	25.7 Å²	25.7	38%	0.38	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-57.5	-23.7	174.5	0	0	0	0	0	113.2	P230 F231 I235 G236	P230-A233 VanDerWaalsContact O-CB 3.24Å; P230-A233 WeakPolarHBondContact O-CB 3.44Å; P230-A233 PolarHBondContact O-N 3.48Å; F231-A233 PolarHBondContact O-N 3.4Å; F231-A233 VanDerWaalsContact O-N 3.15Å; A233-I235 PolarHBondContact O-N 2.86Å; A233-G236 WeakPolarHBondContact O-CA 3.4Å; A233-G236 PolarHBondContact O-N 3.29Å
234	L	96.8	Very high	96.3	Very high	46 Å²	46	26.3 Å²	26.3	24%	0.241	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-54.1	-38	173	-177.5	66.6	0	0	0	112.6	F231 S232 G236 F237 L358 W359 V362	F231-L234 VanDerWaalsContact O-CB 3.29Å; F231-L234 WeakPolarHBondContact O-CB 3.29Å; F231-L234 PolarHBondContact O-N 2.6Å; F231-L234 VanDerWaalsContact O-N 3.15Å; S232-L234 PolarHBondContact O-N 3.47Å; S232-L234 VanDerWaalsContact O-N 3.08Å; L234-G236 PolarHBondContact O-N 3.37Å; L234-F237 WeakPolarHBondContact O-CB 3.43Å; L234-F237 PolarHBondContact O-N 3.2Å; L234-F237 VanDerWaalsContact O-N 3.07Å; L234-L358 HydrophobicContact CD1-CD1 4.22Å; L234-L358 HydrophobicContact CD1-CD2 3.78Å; L234-L358 HydrophobicContact CD1-CG 3.79Å; L234-L358 HydrophobicContact CD2-CG 4.42Å; L234-L358 HydrophobicContact CG-CD2 4.04Å; L234-L358 HydrophobicContact CG-CG 3.96Å; L234-L358 WeakPolarHBondContact O-CD2 3.35Å; L234-W359 HydrophobicContact CB-CE3 4.21Å; L234-W359 HydrophobicContact CB-CZ3 4.14Å; L234-W359 HydrophobicContact CD2-CE3 3.94Å; L234-W359 HydrophobicContact CD2-CZ3 4.42Å; L234-W359 HydrophobicContact CG-CE3 4.43Å; L234-V362 HydrophobicContact CD1-CG2 4.3Å; L234-V362 HydrophobicContact CD2-CB 3.72Å; L234-V362 HydrophobicContact CD2-CG1 4.12Å; L234-V362 HydrophobicContact CD2-CG2 3.62Å
235	I	96.6	Very high	96.2	Very high	4 Å²	4	30 Å²	30	2%	0.021	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-63.5	-26.7	177.7	-62.1	177.8	0	0	0	111	T202 S232 A233 P355 W359 P376 I377 L380	T202-I235 HydrophobicContact CG2-CD1 4.29Å; T202-I235 HydrophobicContact CG2-CG2 3.83Å; T202-I235 WeakPolarHBondContact OG1-CD1 2.96Å; S232-I235 WeakPolarHBondContact O-CB 3.42Å; S232-I235 PolarHBondContact O-N 3.17Å; A233-I235 PolarHBondContact O-N 2.86Å; I235-P355 HydrophobicContact CG2-CB 3.91Å; I235-W359 HydrophobicContact CD1-CD2 4.26Å; I235-W359 HydrophobicContact CD1-CE3 3.79Å; I235-W359 HydrophobicContact CD1-CZ3 3.96Å; I235-W359 HydrophobicContact CG1-CD2 4.26Å; I235-W359 HydrophobicContact CG1-CE3 3.47Å; I235-W359 VanDerWaalsContact CG1-CE3 3.47Å; I235-W359 HydrophobicContact CG1-CZ3 3.82Å; I235-P376 HydrophobicContact CD1-CB 3.61Å; I235-I377 HydrophobicContact CD1-CG2 3.88Å; I235-I377 HydrophobicContact CG1-CG2 4.46Å; I235-L380 HydrophobicContact CG2-CD1 4.43Å
236	G	96.9	Very high	96	Very high	6 Å²	6	33.7 Å²	33.7	6%	0.062	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-76.1	-13.3	175.3	0	0	0	0	0	115.1	A233 L234 I239 A240	A233-G236 WeakPolarHBondContact O-CA 3.4Å; A233-G236 PolarHBondContact O-N 3.29Å; L234-G236 PolarHBondContact O-N 3.37Å; G236-I239 WeakPolarHBondContact O-CA 3.27Å; G236-I239 WeakPolarHBondContact O-CB 3.4Å; G236-I239 PolarHBondContact O-N 3.36Å; G236-I239 VanDerWaalsContact O-N 3.08Å; G236-A240 PolarHBondContact O-N 3.41Å
237	F	97.1	Very high	95.7	Very high	134 Å²	134	36 Å²	36	59%	0.588	19%	0.194	S	C	*	.	H	α-helix	trans	-61	-44.7	-174.9	-178.6	-91.6	0	0	0	113.5	L234 I239 A240 F241 L358	L234-F237 WeakPolarHBondContact O-CB 3.43Å; L234-F237 PolarHBondContact O-N 3.2Å; L234-F237 VanDerWaalsContact O-N 3.07Å; F237-I239 VanDerWaalsContact C-N 3.27Å; F237-I239 PolarHBondContact O-N 2.62Å; F237-A240 PolarHBondContact O-N 3.2Å; F237-F241 WeakPolarHBondContact O-CB 3.49Å; F237-F241 PolarHBondContact O-N 3.16Å; F237-L358 HydrophobicContact CB-CD2 3.95Å; F237-L358 HydrophobicContact CD1-CD2 4.19Å; F237-L358 HydrophobicContact CG-CD2 4.43Å
238	P	97.3	Very high	95.6	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.039	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-26.8	174.1	-24.6	38.7	0	0	0	114	W209 D242 L351 S354 P355 L358	W209-P238 HydrophobicContact CH2-CB 4.06Å; W209-P238 WeakPolarHBondContact CZ2-O 3.45Å; P238-D242 WeakPolarHBondContact O-CB 3.11Å; P238-D242 PolarHBondContact O-N 3.11Å; P238-D242 VanDerWaalsContact O-N 3.1Å; P238-L351 HydrophobicContact CB-CD1 4.14Å; P238-S354 VanDerWaalsContact CB-OG 3.24Å; P238-S354 WeakPolarHBondContact CB-OG 3.47Å; P238-S354 WeakPolarHBondContact CG-OG 3.41Å; P238-P355 HydrophobicContact CB-CG 4.09Å; P238-P355 HydrophobicContact CG-CB 4.45Å; P238-P355 HydrophobicContact CG-CG 3.86Å; P238-L358 HydrophobicContact CG-CD2 4.22Å
239	I	96.9	Very high	95.5	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-69.4	-48	173.9	-52.2	-176.1	0	0	0	109.3	A205 M206 W209 A217 V221 G236 F237 F241 D242 L243	A205-I239 HydrophobicContact CB-CD1 4.07Å; M206-I239 HydrophobicContact SD-CD1 4.22Å; W209-I239 HydrophobicContact CB-CD1 4.31Å; W209-I239 HydrophobicContact CB-CG1 4.46Å; W209-I239 HydrophobicContact CB-CG2 4.26Å; W209-I239 HydrophobicContact CD2-CB 4.38Å; W209-I239 HydrophobicContact CD2-CD1 4.47Å; W209-I239 HydrophobicContact CD2-CG1 3.79Å; W209-I239 HydrophobicContact CD2-CG2 4.37Å; W209-I239 HydrophobicContact CE3-CD1 4.38Å; W209-I239 HydrophobicContact CE3-CG1 3.81Å; W209-I239 HydrophobicContact CG-CB 4.47Å; W209-I239 HydrophobicContact CG-CD1 4.49Å; W209-I239 HydrophobicContact CG-CG1 4.12Å; W209-I239 HydrophobicContact CG-CG2 3.96Å; W209-I239 HydrophobicContact CZ3-CG1 4.23Å; A217-I239 HydrophobicContact CB-CG2 4.02Å; V221-I239 HydrophobicContact CG2-CD1 3.96Å; G236-I239 WeakPolarHBondContact O-CA 3.27Å; G236-I239 WeakPolarHBondContact O-CB 3.4Å; G236-I239 PolarHBondContact O-N 3.36Å; G236-I239 VanDerWaalsContact O-N 3.08Å; F237-I239 VanDerWaalsContact C-N 3.27Å; F237-I239 PolarHBondContact O-N 2.62Å; I239-F241 PolarHBondContact O-N 2.84Å; I239-D242 PolarHBondContact O-N 2.72Å; I239-L243 HydrophobicContact CG2-CD1 4.02Å; I239-L243 HydrophobicContact CG2-CG 4.5Å; I239-L243 VanDerWaalsContact O-CG 3.29Å; I239-L243 WeakPolarHBondContact O-CG 3.44Å; I239-L243 PolarHBondContact O-N 3.11Å
240	A	97	Very high	95.6	Very high	23 Å²	23	51.8 Å²	51.8	19%	0.19	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-41.7	175.8	0	0	0	0	0	111.9	G236 F237 D242 L243 L244 F253	G236-A240 PolarHBondContact O-N 3.41Å; F237-A240 PolarHBondContact O-N 3.2Å; A240-D242 PolarHBondContact O-N 3.34Å; A240-L243 PolarHBondContact O-N 3.48Å; A240-L244 VanDerWaalsContact O-CB 3.25Å; A240-L244 WeakPolarHBondContact O-CB 3.42Å; A240-L244 VanDerWaalsContact O-CG 3.25Å; A240-L244 WeakPolarHBondContact O-CG 3.33Å; A240-L244 PolarHBondContact O-N 2.99Å; A240-F253 HydrophobicContact CB-CE2 4.05Å; A240-F253 HydrophobicContact CB-CZ 4.15Å
241	F	96.9	Very high	95.6	Very high	76 Å²	76	59.5 Å²	59.5	33%	0.333	28%	0.281	S	S	.	.	H	α-helix	trans	-59.2	-45.7	175.4	-178.6	-94.8	0	0	0	112.3	F237 I239 V245 I246 W350 L351	F237-F241 WeakPolarHBondContact O-CB 3.49Å; F237-F241 PolarHBondContact O-N 3.16Å; I239-F241 PolarHBondContact O-N 2.84Å; F241-V245 HydrophobicContact CD2-CB 4.15Å; F241-V245 HydrophobicContact CD2-CG2 3.71Å; F241-V245 HydrophobicContact CE2-CB 4.01Å; F241-V245 HydrophobicContact CE2-CG1 4.06Å; F241-V245 HydrophobicContact CE2-CG2 3.84Å; F241-V245 HydrophobicContact CG-CG2 4.38Å; F241-V245 HydrophobicContact CZ-CB 4.28Å; F241-V245 HydrophobicContact CZ-CG1 4.17Å; F241-V245 WeakPolarHBondContact O-CA 3.29Å; F241-V245 VanDerWaalsContact O-CB 3.27Å; F241-V245 WeakPolarHBondContact O-CB 3.36Å; F241-V245 PolarHBondContact O-N 3.3Å; F241-I246 HydrophobicContact CD1-CD1 4.17Å; F241-I246 HydrophobicContact CE1-CD1 3.89Å; F241-I246 HydrophobicContact CE1-CG1 4.14Å; F241-I246 PolarHBondContact O-N 2.89Å; F241-W350 HydrophobicContact CE1-CH2 4.15Å; F241-L351 HydrophobicContact CD1-CD1 3.94Å
242	D	95.6	Very high	95.7	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	28%	0.282	C	S	.	.	I	π-helix	trans	-61.4	-48.1	175.8	177.5	80	0	0	0	112.7	W209 P238 I239 A240 I246 K247 R347 L351	W209-D242 HydrophobicContact CZ2-CB 3.82Å; W209-D242 PolarHBondContact NE1-OD2 3.09Å; P238-D242 WeakPolarHBondContact O-CB 3.11Å; P238-D242 PolarHBondContact O-N 3.11Å; P238-D242 VanDerWaalsContact O-N 3.1Å; I239-D242 PolarHBondContact O-N 2.72Å; A240-D242 PolarHBondContact O-N 3.34Å; D242-I246 WeakPolarHBondContact O-CB 3.33Å; D242-I246 PolarHBondContact O-N 3.5Å; D242-K247 PolarHBondContact O-N 2.83Å; D242-R347 WeakPolarHBondContact OD1-CD 3.46Å; D242-R347 IonicContact OD1-CZ 3.6Å; D242-R347 IonicContact OD1-NE 3.49Å; D242-R347 PolarHBondContact OD1-NE 3.45Å; D242-R347 IonicContact OD1-NH2 3.51Å; D242-R347 IonicContact OD2-CZ 2.95Å; D242-R347 IonicContact OD2-NE 3.14Å; D242-R347 PolarHBondContact OD2-NE 2.92Å; D242-R347 IonicContact OD2-NH2 2.9Å; D242-R347 PolarHBondContact OD2-NH2 2.96Å; D242-L351 HydrophobicContact CB-CD2 4.22Å
243	L	95.2	Very high	95.7	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.021	29%	0.289	C	S	.	.	I	π-helix	trans	-68.6	-40	-177.2	-65.6	176.5	0	0	0	112.4	I214 V218 I239 A240 K247 R248 E249 F253	I214-L243 HydrophobicContact CG1-CD2 3.99Å; I214-L243 HydrophobicContact CG2-CD1 4.14Å; V218-L243 HydrophobicContact CG2-CD1 4.24Å; I239-L243 HydrophobicContact CG2-CD1 4.02Å; I239-L243 HydrophobicContact CG2-CG 4.5Å; I239-L243 VanDerWaalsContact O-CG 3.29Å; I239-L243 WeakPolarHBondContact O-CG 3.44Å; I239-L243 PolarHBondContact O-N 3.11Å; A240-L243 PolarHBondContact O-N 3.48Å; L243-K247 HydrophobicContact CD2-CD 4.36Å; L243-R248 CarbonylContact O-C 3.57Å; L243-R248 WeakPolarHBondContact O-CA 3.47Å; L243-R248 PolarHBondContact O-N 3.3Å; L243-E249 WeakPolarHBondContact CD2-OE2 3.1Å; L243-E249 PolarHBondContact O-N 2.96Å; L243-F253 HydrophobicContact CB-CD2 4.35Å; L243-F253 HydrophobicContact CD1-CD2 3.94Å
244	L	96.3	Very high	95.7	Very high	30 Å²	30	63.5 Å²	63.5	16%	0.157	30%	0.298	C	S	.	.	I	π-helix	trans	-89.6	-43.8	-173.9	-60.4	-179.8	0	0	0	113.4	A240 R248 W250 F253	A240-L244 VanDerWaalsContact O-CB 3.25Å; A240-L244 WeakPolarHBondContact O-CB 3.42Å; A240-L244 VanDerWaalsContact O-CG 3.25Å; A240-L244 WeakPolarHBondContact O-CG 3.33Å; A240-L244 PolarHBondContact O-N 2.99Å; L244-R248 WeakPolarHBondContact O-CA 3.23Å; L244-W250 HydrophobicContact CB-CD2 4.41Å; L244-W250 HydrophobicContact CB-CH2 4.06Å; L244-W250 HydrophobicContact CB-CZ2 3.86Å; L244-W250 HydrophobicContact CB-CZ3 4.42Å; L244-W250 HydrophobicContact CD1-CH2 4.42Å; L244-W250 HydrophobicContact CD1-CZ3 4.2Å; L244-W250 HydrophobicContact CD2-CB 4.49Å; L244-W250 HydrophobicContact CD2-CD2 3.75Å; L244-W250 HydrophobicContact CD2-CE3 3.71Å; L244-W250 HydrophobicContact CD2-CG 4.13Å; L244-W250 HydrophobicContact CD2-CZ3 4.15Å; L244-W250 HydrophobicContact CG-CZ3 4.49Å; L244-W250 WeakPolarHBondContact O-CZ2 3.35Å; L244-W250 PolarHBondContact O-NE1 3.13Å; L244-F253 HydrophobicContact CD1-CD1 4.27Å; L244-F253 HydrophobicContact CD1-CE1 4.04Å; L244-F253 HydrophobicContact CD1-CZ 4.28Å; L244-F253 HydrophobicContact CD2-CB 3.85Å; L244-F253 HydrophobicContact CD2-CD1 3.7Å; L244-F253 HydrophobicContact CD2-CD2 4.34Å; L244-F253 HydrophobicContact CD2-CE1 4.32Å; L244-F253 HydrophobicContact CD2-CG 3.7Å; L244-F253 HydrophobicContact CG-CD1 4.35Å; L244-F253 HydrophobicContact CG-CG 4.35Å
245	V	95.6	Very high	95.8	Very high	78 Å²	78	66 Å²	66	47%	0.473	31%	0.31	S	S	.	.	I	π-helix	trans	-92.3	-48.4	-172.6	-172.1	0	0	0	0	111.5	F241	F241-V245 HydrophobicContact CD2-CB 4.15Å; F241-V245 HydrophobicContact CD2-CG2 3.71Å; F241-V245 HydrophobicContact CE2-CB 4.01Å; F241-V245 HydrophobicContact CE2-CG1 4.06Å; F241-V245 HydrophobicContact CE2-CG2 3.84Å; F241-V245 HydrophobicContact CG-CG2 4.38Å; F241-V245 HydrophobicContact CZ-CB 4.28Å; F241-V245 HydrophobicContact CZ-CG1 4.17Å; F241-V245 WeakPolarHBondContact O-CA 3.29Å; F241-V245 VanDerWaalsContact O-CB 3.27Å; F241-V245 WeakPolarHBondContact O-CB 3.36Å; F241-V245 PolarHBondContact O-N 3.3Å
246	I	92.5	Very high	95.8	Very high	88 Å²	88	69.3 Å²	69.3	45%	0.451	32%	0.323	S	S	.	.	I	π-helix	trans	-79.5	-57.7	-176.3	-63.5	171.9	0	0	0	110.6	F241 D242 L351	F241-I246 HydrophobicContact CD1-CD1 4.17Å; F241-I246 HydrophobicContact CE1-CD1 3.89Å; F241-I246 HydrophobicContact CE1-CG1 4.14Å; F241-I246 PolarHBondContact O-N 2.89Å; D242-I246 WeakPolarHBondContact O-CB 3.33Å; D242-I246 PolarHBondContact O-N 3.5Å; I246-L351 HydrophobicContact CD1-CD2 3.52Å
247	K	91.8	Very high	95.8	Very high	71 Å²	71	70.8 Å²	70.8	31%	0.309	33%	0.332	S	S	.	.	S	Bend	trans	-83.7	-26.1	-177.4	-68.4	-165.1	174.5	-171.3	0	114.8	D212 D242 L243 E249	D212-K247 WeakPolarHBondContact OD1-CE 3.39Å; D212-K247 IonicContact OD1-NZ 2.76Å; D212-K247 PolarHBondContact OD1-NZ 3.49Å; D242-K247 PolarHBondContact O-N 2.83Å; L243-K247 HydrophobicContact CD2-CD 4.36Å; K247-E249 VanDerWaalsContact C-N 3.32Å; K247-E249 HydrophobicContact CB-CG 3.92Å; K247-E249 HydrophobicContact CD-CG 4.47Å; K247-E249 WeakPolarHBondContact CD-OE2 3.26Å; K247-E249 IonicContact NZ-OE2 3.71Å; K247-E249 PolarHBondContact O-N 3.15Å
248	R	94.4	Very high	95.9	Very high	192 Å²	192	67.1 Å²	67.1	73%	0.725	33%	0.326	S	S	*	.			trans	60.1	35.3	-177.7	-51.6	178.3	177.8	-173	-2.3	114	L243 L244 W250	L243-R248 CarbonylContact O-C 3.57Å; L243-R248 WeakPolarHBondContact O-CA 3.47Å; L243-R248 PolarHBondContact O-N 3.3Å; L244-R248 WeakPolarHBondContact O-CA 3.23Å; R248-W250 PolarHBondContact O-N 2.95Å
249	E	93.9	Very high	95.9	Very high	65 Å²	65	69.6 Å²	69.6	30%	0.304	34%	0.339	S	S	.	.			trans	-81.9	33.1	179.9	-69.3	172.7	144.8	0	0	113.1	I214 L243 K247 K251 S252 F253	I214-E249 HydrophobicContact CD1-CB 4.01Å; I214-E249 HydrophobicContact CD1-CG 4.23Å; I214-E249 VanDerWaalsContact CD1-OE2 3.31Å; I214-E249 WeakPolarHBondContact CD1-OE2 3.4Å; L243-E249 WeakPolarHBondContact CD2-OE2 3.1Å; L243-E249 PolarHBondContact O-N 2.96Å; K247-E249 VanDerWaalsContact C-N 3.32Å; K247-E249 HydrophobicContact CB-CG 3.92Å; K247-E249 HydrophobicContact CD-CG 4.47Å; K247-E249 WeakPolarHBondContact CD-OE2 3.26Å; K247-E249 IonicContact NZ-OE2 3.71Å; K247-E249 PolarHBondContact O-N 3.15Å; E249-K251 VanDerWaalsContact C-N 3.3Å; E249-K251 PolarHBondContact O-N 3.01Å; E249-K251 VanDerWaalsContact O-N 3.11Å; E249-S252 PolarHBondContact O-N 2.98Å; E249-F253 PolarHBondContact O-N 3.38Å
250	W	95.1	Very high	95.9	Very high	137 Å²	137	69.5 Å²	69.5	52%	0.519	34%	0.338	S	S	.	.	H	α-helix	trans	-45.6	-46.2	-172.6	-65.6	84.2	0	0	0	114.1	L244 R248 S252 F253 L254	L244-W250 HydrophobicContact CB-CD2 4.41Å; L244-W250 HydrophobicContact CB-CH2 4.06Å; L244-W250 HydrophobicContact CB-CZ2 3.86Å; L244-W250 HydrophobicContact CB-CZ3 4.42Å; L244-W250 HydrophobicContact CD1-CH2 4.42Å; L244-W250 HydrophobicContact CD1-CZ3 4.2Å; L244-W250 HydrophobicContact CD2-CB 4.49Å; L244-W250 HydrophobicContact CD2-CD2 3.75Å; L244-W250 HydrophobicContact CD2-CE3 3.71Å; L244-W250 HydrophobicContact CD2-CG 4.13Å; L244-W250 HydrophobicContact CD2-CZ3 4.15Å; L244-W250 HydrophobicContact CG-CZ3 4.49Å; L244-W250 WeakPolarHBondContact O-CZ2 3.35Å; L244-W250 PolarHBondContact O-NE1 3.13Å; R248-W250 PolarHBondContact O-N 2.95Å; W250-S252 PolarHBondContact O-N 2.96Å; W250-F253 PolarHBondContact O-N 3.19Å; W250-L254 WeakPolarHBondContact O-CB 3.31Å; W250-L254 VanDerWaalsContact O-CG 3.29Å; W250-L254 WeakPolarHBondContact O-CG 3.45Å; W250-L254 PolarHBondContact O-N 3.43Å
251	K	95.8	Very high	95.9	Very high	181 Å²	181	72.5 Å²	72.5	79%	0.787	35%	0.351	S	S	*	.	H	α-helix	trans	-60.8	-45.6	-179.6	-66.7	-175	179	-177.9	0	112	E249 I255	E249-K251 VanDerWaalsContact C-N 3.3Å; E249-K251 PolarHBondContact O-N 3.01Å; E249-K251 VanDerWaalsContact O-N 3.11Å; K251-I255 WeakPolarHBondContact O-CB 3.3Å; K251-I255 WeakPolarHBondContact O-CD1 3.27Å; K251-I255 VanDerWaalsContact O-CG1 3.22Å; K251-I255 WeakPolarHBondContact O-CG1 3.44Å; K251-I255 PolarHBondContact O-N 3.49Å; K251-I255 VanDerWaalsContact O-N 3.11Å
252	S	95.4	Very high	95.9	Very high	37 Å²	37	74 Å²	74	26%	0.259	36%	0.362	S	S	.	.	H	α-helix	trans	-69	-44.7	179.9	-169.7	0	0	0	0	110.8	I214 E249 W250 L254 I255 W256	I214-S252 WeakPolarHBondContact CD1-OG 3.5Å; E249-S252 PolarHBondContact O-N 2.98Å; W250-S252 PolarHBondContact O-N 2.96Å; S252-L254 PolarHBondContact O-N 3.28Å; S252-I255 PolarHBondContact O-N 2.89Å; S252-W256 PolarHBondContact O-N 2.93Å
253	F	96.1	Very high	96	Very high	40 Å²	40	78.8 Å²	78.8	18%	0.175	39%	0.387	C	S	.	.	H	α-helix	trans	-55.4	-51	175.6	-179.8	-90.9	0	0	0	112	V218 A240 L243 L244 E249 W250 I255 W256 C257	V218-F253 HydrophobicContact CG2-CD2 3.9Å; V218-F253 HydrophobicContact CG2-CE2 4.2Å; A240-F253 HydrophobicContact CB-CE2 4.05Å; A240-F253 HydrophobicContact CB-CZ 4.15Å; L243-F253 HydrophobicContact CB-CD2 4.35Å; L243-F253 HydrophobicContact CD1-CD2 3.94Å; L244-F253 HydrophobicContact CD1-CD1 4.27Å; L244-F253 HydrophobicContact CD1-CE1 4.04Å; L244-F253 HydrophobicContact CD1-CZ 4.28Å; L244-F253 HydrophobicContact CD2-CB 3.85Å; L244-F253 HydrophobicContact CD2-CD1 3.7Å; L244-F253 HydrophobicContact CD2-CD2 4.34Å; L244-F253 HydrophobicContact CD2-CE1 4.32Å; L244-F253 HydrophobicContact CD2-CG 3.7Å; L244-F253 HydrophobicContact CG-CD1 4.35Å; L244-F253 HydrophobicContact CG-CG 4.35Å; E249-F253 PolarHBondContact O-N 3.38Å; W250-F253 PolarHBondContact O-N 3.19Å; F253-I255 PolarHBondContact O-N 3.29Å; F253-W256 PolarHBondContact O-N 3.44Å; F253-C257 VanDerWaalsContact CE1-SG 3.53Å; F253-C257 WeakPolarHBondContact O-CB 3.46Å; F253-C257 PolarHBondContact O-N 2.96Å; F253-C257 PolarHBondContact O-SG 3.36Å; F253-C257 VanDerWaalsContact O-SG 3.35Å
254	L	96.8	Very high	96.1	Very high	108 Å²	108	80.2 Å²	80.2	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-63.3	-39.8	-179.7	-70.4	170.9	0	0	0	112.6	W250 S252 C257 A258	W250-L254 WeakPolarHBondContact O-CB 3.31Å; W250-L254 VanDerWaalsContact O-CG 3.29Å; W250-L254 WeakPolarHBondContact O-CG 3.45Å; W250-L254 PolarHBondContact O-N 3.43Å; S252-L254 PolarHBondContact O-N 3.28Å; L254-C257 PolarHBondContact O-N 3.3Å; L254-A258 WeakPolarHBondContact O-CB 3.41Å; L254-A258 PolarHBondContact O-N 2.83Å
255	I	97.8	Very high	96.1	Very high	98 Å²	98	81 Å²	81	50%	0.503	40%	0.399	S	S	.	.	H	α-helix	trans	-61.7	-47.6	174.7	-71.2	164.8	0	0	0	110.6	K251 S252 F253 C257 A258 L259	K251-I255 WeakPolarHBondContact O-CB 3.3Å; K251-I255 WeakPolarHBondContact O-CD1 3.27Å; K251-I255 VanDerWaalsContact O-CG1 3.22Å; K251-I255 WeakPolarHBondContact O-CG1 3.44Å; K251-I255 PolarHBondContact O-N 3.49Å; K251-I255 VanDerWaalsContact O-N 3.11Å; S252-I255 PolarHBondContact O-N 2.89Å; F253-I255 PolarHBondContact O-N 3.29Å; I255-C257 PolarHBondContact O-N 3.5Å; I255-A258 PolarHBondContact O-N 3.48Å; I255-L259 HydrophobicContact CG2-CD1 3.86Å; I255-L259 HydrophobicContact CG2-CG 4.44Å; I255-L259 WeakPolarHBondContact O-CB 3.18Å; I255-L259 WeakPolarHBondContact O-CG 3.38Å; I255-L259 PolarHBondContact O-N 2.92Å
256	W	97.8	Very high	96.2	Very high	74 Å²	74	81.4 Å²	81.4	28%	0.28	40%	0.401	S	S	.	.	H	α-helix	trans	-70.4	-30.5	179.6	-72	108.9	0	0	0	113.3	P215 V218 M219 S252 F253 L259 A260	P215-W256 HydrophobicContact CB-CD2 3.76Å; P215-W256 HydrophobicContact CB-CE3 3.97Å; P215-W256 HydrophobicContact CB-CG 4.42Å; P215-W256 HydrophobicContact CB-CH2 3.92Å; P215-W256 HydrophobicContact CB-CZ2 3.69Å; P215-W256 HydrophobicContact CB-CZ3 4.04Å; P215-W256 HydrophobicContact CG-CD2 4.17Å; P215-W256 HydrophobicContact CG-CH2 4.29Å; P215-W256 HydrophobicContact CG-CZ2 3.61Å; V218-W256 HydrophobicContact CB-CB 3.92Å; V218-W256 HydrophobicContact CG1-CB 3.85Å; V218-W256 HydrophobicContact CG2-CB 4.31Å; M219-W256 HydrophobicContact CG-CE3 4.3Å; S252-W256 PolarHBondContact O-N 2.93Å; F253-W256 PolarHBondContact O-N 3.44Å; W256-L259 HydrophobicContact CD2-CD1 4.24Å; W256-L259 HydrophobicContact CE3-CB 4.32Å; W256-L259 HydrophobicContact CE3-CD1 3.77Å; W256-L259 HydrophobicContact CH2-CD1 4.14Å; W256-L259 HydrophobicContact CZ3-CD1 3.73Å; W256-A260 WeakPolarHBondContact O-CB 3.46Å; W256-A260 PolarHBondContact O-N 2.9Å
257	C	97.1	Very high	96.5	Very high	37 Å²	37	80.4 Å²	80.4	25%	0.25	40%	0.4	C	S	.	.	H	α-helix	trans	-65.9	-44.4	169.7	-73.2	0	0	0	0	111.9	F253 L254 I255 A260 L261	F253-C257 VanDerWaalsContact CE1-SG 3.53Å; F253-C257 WeakPolarHBondContact O-CB 3.46Å; F253-C257 PolarHBondContact O-N 2.96Å; F253-C257 PolarHBondContact O-SG 3.36Å; F253-C257 VanDerWaalsContact O-SG 3.35Å; L254-C257 PolarHBondContact O-N 3.3Å; I255-C257 PolarHBondContact O-N 3.5Å; C257-A260 PolarHBondContact O-N 2.79Å; C257-L261 WeakPolarHBondContact O-CG 3.5Å; C257-L261 PolarHBondContact O-N 2.8Å
258	A	97.8	Very high	96.7	Very high	58 Å²	58	77.3 Å²	77.3	48%	0.479	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-43.2	176.8	0	0	0	0	0	112	L254 I255 L261 L262	L254-A258 WeakPolarHBondContact O-CB 3.41Å; L254-A258 PolarHBondContact O-N 2.83Å; I255-A258 PolarHBondContact O-N 3.48Å; A258-L261 PolarHBondContact O-N 3.33Å; A258-L262 WeakPolarHBondContact O-CB 3.45Å; A258-L262 PolarHBondContact O-N 3.07Å
259	L	97.9	Very high	96.9	Very high	58 Å²	58	69.4 Å²	69.4	30%	0.304	36%	0.36	S	S	.	.	H	α-helix	trans	-63.9	-39.6	173.9	-71.6	171.9	0	0	0	112	I255 W256 L262 L263	I255-L259 HydrophobicContact CG2-CD1 3.86Å; I255-L259 HydrophobicContact CG2-CG 4.44Å; I255-L259 WeakPolarHBondContact O-CB 3.18Å; I255-L259 WeakPolarHBondContact O-CG 3.38Å; I255-L259 PolarHBondContact O-N 2.92Å; W256-L259 HydrophobicContact CD2-CD1 4.24Å; W256-L259 HydrophobicContact CE3-CB 4.32Å; W256-L259 HydrophobicContact CE3-CD1 3.77Å; W256-L259 HydrophobicContact CH2-CD1 4.14Å; W256-L259 HydrophobicContact CZ3-CD1 3.73Å; L259-L262 PolarHBondContact O-N 3.22Å; L259-L263 VanDerWaalsContact O-CB 3.26Å; L259-L263 WeakPolarHBondContact O-CB 3.38Å; L259-L263 WeakPolarHBondContact O-CG 3.43Å; L259-L263 PolarHBondContact O-N 3.45Å
260	A	97.2	Very high	97.1	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.008	37%	0.369	C	S	.	.	H	α-helix	trans	-64.9	-42	176.9	0	0	0	0	0	112.3	M219 A222 W256 C257 L263 L264	M219-A260 HydrophobicContact SD-CB 3.57Å; M219-A260 VanDerWaalsContact SD-CB 3.57Å; A222-A260 HydrophobicContact CB-CB 3.48Å; A222-A260 VanDerWaalsContact CB-CB 3.48Å; W256-A260 WeakPolarHBondContact O-CB 3.46Å; W256-A260 PolarHBondContact O-N 2.9Å; C257-A260 PolarHBondContact O-N 2.79Å; A260-L263 PolarHBondContact O-N 3.32Å; A260-L264 HydrophobicContact CB-CD1 4.33Å; A260-L264 WeakPolarHBondContact O-CB 3.4Å; A260-L264 WeakPolarHBondContact O-CG 3.49Å; A260-L264 PolarHBondContact O-N 3.39Å
261	L	96.3	Very high	97.2	Very high	87 Å²	87	65 Å²	65	46%	0.455	36%	0.359	S	S	.	.	I	π-helix	trans	-62.1	-45.7	173.3	-69.8	167.1	0	0	0	111.1	I226 C257 A258 L263 L265 V266	I226-L261 HydrophobicContact CD1-CD2 4.1Å; C257-L261 WeakPolarHBondContact O-CG 3.5Å; C257-L261 PolarHBondContact O-N 2.8Å; A258-L261 PolarHBondContact O-N 3.33Å; L261-L263 PolarHBondContact O-N 3Å; L261-L265 HydrophobicContact CD2-CB 4.33Å; L261-L265 HydrophobicContact CD2-CD2 3.84Å; L261-L265 WeakPolarHBondContact O-CA 3.35Å; L261-L265 VanDerWaalsContact O-CB 3.27Å; L261-L265 WeakPolarHBondContact O-CB 3.17Å; L261-L265 PolarHBondContact O-N 2.83Å; L261-V266 PolarHBondContact O-N 3.21Å
262	L	97.3	Very high	97.3	Very high	107 Å²	107	56.4 Å²	56.4	56%	0.56	32%	0.322	S	S	*	.	I	π-helix	trans	-63	-41.1	178.4	-178.5	62.1	0	0	0	113	A258 L259 V266	A258-L262 WeakPolarHBondContact O-CB 3.45Å; A258-L262 PolarHBondContact O-N 3.07Å; L259-L262 PolarHBondContact O-N 3.22Å; L262-V266 HydrophobicContact CD1-CG2 4.37Å
263	L	97.4	Very high	97.5	Very high	103 Å²	103	55.8 Å²	55.8	54%	0.539	32%	0.317	S	S	.	.	I	π-helix	trans	-88.9	-19.8	-173.7	-66	172.5	0	0	0	114.2	M219 L259 A260 L261	M219-L263 HydrophobicContact CE-CD1 4.32Å; L259-L263 VanDerWaalsContact O-CB 3.26Å; L259-L263 WeakPolarHBondContact O-CB 3.38Å; L259-L263 WeakPolarHBondContact O-CG 3.43Å; L259-L263 PolarHBondContact O-N 3.45Å; A260-L263 PolarHBondContact O-N 3.32Å; L261-L263 PolarHBondContact O-N 3Å
264	L	97.8	Very high	97.5	Very high	35 Å²	35	60.3 Å²	60.3	18%	0.183	34%	0.337	C	S	.	.	I	π-helix	trans	-116.7	-47.9	-176.1	-54.9	171	0	0	0	112.4	M219 A222 A223 I226 V227 A260 L268	M219-L264 HydrophobicContact CE-CD1 4.13Å; M219-L264 HydrophobicContact CE-CG 4.26Å; A222-L264 HydrophobicContact CB-CD1 3.96Å; A223-L264 HydrophobicContact CB-CD1 4.2Å; I226-L264 HydrophobicContact CB-CB 4.36Å; I226-L264 HydrophobicContact CD1-CB 4.12Å; I226-L264 HydrophobicContact CD1-CD1 4.36Å; I226-L264 HydrophobicContact CG2-CB 4.01Å; V227-L264 HydrophobicContact CG2-CB 4.16Å; V227-L264 HydrophobicContact CG2-CD2 4.28Å; A260-L264 HydrophobicContact CB-CD1 4.33Å; A260-L264 WeakPolarHBondContact O-CB 3.4Å; A260-L264 WeakPolarHBondContact O-CG 3.49Å; A260-L264 PolarHBondContact O-N 3.39Å; L264-L268 WeakPolarHBondContact O-CB 3.41Å; L264-L268 PolarHBondContact O-N 3Å
265	L	97.7	Very high	97.5	Very high	46 Å²	46	56.8 Å²	56.8	24%	0.241	32%	0.317	C	S	.	.	I	π-helix	trans	-76.2	-42.8	-175.6	-173.4	66.3	0	0	0	111.6	I226 L261 L268 V269 I281	I226-L265 HydrophobicContact CD1-CB 4.41Å; I226-L265 HydrophobicContact CG2-CB 3.96Å; I226-L265 HydrophobicContact CG2-CD1 3.88Å; L261-L265 HydrophobicContact CD2-CB 4.33Å; L261-L265 HydrophobicContact CD2-CD2 3.84Å; L261-L265 WeakPolarHBondContact O-CA 3.35Å; L261-L265 VanDerWaalsContact O-CB 3.27Å; L261-L265 WeakPolarHBondContact O-CB 3.17Å; L261-L265 PolarHBondContact O-N 2.83Å; L265-L268 PolarHBondContact O-N 2.95Å; L265-V269 HydrophobicContact CD1-CG2 3.96Å; L265-V269 HydrophobicContact CG-CG2 4.11Å; L265-V269 WeakPolarHBondContact O-CB 3.43Å; L265-V269 VanDerWaalsContact O-CG2 3.28Å; L265-V269 WeakPolarHBondContact O-CG2 3.19Å; L265-V269 PolarHBondContact O-N 2.74Å; L265-I281 HydrophobicContact CD1-CG2 4.15Å
266	V	97.4	Very high	97.5	Very high	87 Å²	87	52.3 Å²	52.3	53%	0.527	29%	0.294	S	S	.	.	H	α-helix	trans	-63.9	-46.3	-178.1	-178.3	0	0	0	0	112.4	L261 L262 L268 V269 A270	L261-V266 PolarHBondContact O-N 3.21Å; L262-V266 HydrophobicContact CD1-CG2 4.37Å; V266-L268 PolarHBondContact O-N 3.26Å; V266-V269 PolarHBondContact O-N 3.41Å; V266-A270 WeakPolarHBondContact O-CB 3.4Å; V266-A270 PolarHBondContact O-N 3.28Å
267	P	97.1	Very high	97.4	Very high	67 Å²	67	51.2 Å²	51.2	44%	0.435	31%	0.306	S	S	.	.	H	α-helix	trans	-65.5	-37.5	175	-23.1	36.2	0	0	0	113	A270 V271	P267-A270 PolarHBondContact O-N 3.31Å; P267-V271 WeakPolarHBondContact O-CG2 3.35Å; P267-V271 PolarHBondContact O-N 2.94Å
268	L	97.9	Very high	97.4	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-61.8	-50.6	176.4	179.4	147.8	0	0	0	111.3	A117 I226 V227 L264 L265 V266 A270 V271 D272 P283	A117-L268 HydrophobicContact CB-CB 4.16Å; A117-L268 HydrophobicContact CB-CD1 4.45Å; A117-L268 HydrophobicContact CB-CG 3.93Å; I226-L268 HydrophobicContact CG2-CD1 4.39Å; I226-L268 VanDerWaalsContact O-CD1 3.3Å; I226-L268 WeakPolarHBondContact O-CD1 3.44Å; V227-L268 HydrophobicContact CG2-CD1 4.39Å; L264-L268 WeakPolarHBondContact O-CB 3.41Å; L264-L268 PolarHBondContact O-N 3Å; L265-L268 PolarHBondContact O-N 2.95Å; V266-L268 PolarHBondContact O-N 3.26Å; L268-A270 VanDerWaalsContact C-N 3.31Å; L268-A270 PolarHBondContact O-N 3.27Å; L268-V271 PolarHBondContact O-N 2.97Å; L268-D272 WeakPolarHBondContact CD2-OD2 3.4Å; L268-D272 WeakPolarHBondContact O-CB 3.48Å; L268-D272 PolarHBondContact O-N 3.27Å; L268-P283 HydrophobicContact CD1-CG 4.34Å; L268-P283 HydrophobicContact CD2-CG 4.05Å
269	V	98.2	Very high	97.4	Very high	25 Å²	25	57.5 Å²	57.5	15%	0.152	32%	0.324	C	S	.	.	H	α-helix	trans	-62.3	-38.5	178.2	169.6	0	0	0	0	111	L265 V266 S273 L279 I281	L265-V269 HydrophobicContact CD1-CG2 3.96Å; L265-V269 HydrophobicContact CG-CG2 4.11Å; L265-V269 WeakPolarHBondContact O-CB 3.43Å; L265-V269 VanDerWaalsContact O-CG2 3.28Å; L265-V269 WeakPolarHBondContact O-CG2 3.19Å; L265-V269 PolarHBondContact O-N 2.74Å; V266-V269 PolarHBondContact O-N 3.41Å; V269-S273 WeakPolarHBondContact O-CB 3.25Å; V269-S273 PolarHBondContact O-N 3.18Å; V269-S273 PolarHBondContact O-OG 3.29Å; V269-L279 HydrophobicContact CG1-CD1 3.86Å; V269-I281 HydrophobicContact CG1-CG1 4.47Å; V269-I281 HydrophobicContact CG2-CB 4.33Å; V269-I281 HydrophobicContact CG2-CG1 3.93Å; V269-I281 HydrophobicContact CG2-CG2 4.17Å
270	A	98	Very high	97.3	Very high	61 Å²	61	54.8 Å²	54.8	50%	0.504	31%	0.31	S	S	.	.	H	α-helix	trans	-64.4	-46.5	176.7	0	0	0	0	0	112.6	V266 P267 L268 F274	V266-A270 WeakPolarHBondContact O-CB 3.4Å; V266-A270 PolarHBondContact O-N 3.28Å; P267-A270 PolarHBondContact O-N 3.31Å; L268-A270 VanDerWaalsContact C-N 3.31Å; L268-A270 PolarHBondContact O-N 3.27Å; A270-F274 WeakPolarHBondContact O-CB 3.45Å; A270-F274 PolarHBondContact O-N 3.43Å; A270-F274 VanDerWaalsContact O-N 3.15Å
271	V	97.8	Very high	97.3	Very high	50 Å²	50	57.5 Å²	57.5	30%	0.303	32%	0.324	S	S	.	.	H	α-helix	trans	-69	-47.6	178.9	171.7	0	0	0	0	111.2	A117 P267 L268 S273 F274 F275	A117-V271 HydrophobicContact CB-CB 3.93Å; A117-V271 HydrophobicContact CB-CG1 3.93Å; P267-V271 WeakPolarHBondContact O-CG2 3.35Å; P267-V271 PolarHBondContact O-N 2.94Å; L268-V271 PolarHBondContact O-N 2.97Å; V271-S273 VanDerWaalsContact C-N 3.34Å; V271-S273 PolarHBondContact O-N 3.44Å; V271-F274 WeakPolarHBondContact O-CB 3.43Å; V271-F274 PolarHBondContact O-N 3.46Å; V271-F275 HydrophobicContact CG1-CD2 3.87Å; V271-F275 HydrophobicContact CG1-CE2 4.02Å; V271-F275 WeakPolarHBondContact O-CD2 3.27Å; V271-F275 PolarHBondContact O-N 3.08Å
272	D	97.9	Very high	97.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-43.1	179.5	-72.5	-15	0	0	0	110.8	S115 Y116 A117 L268 F274 F275 Y276 V280	S115-D272 WeakPolarHBondContact CA-OD1 3.29Å; S115-D272 VanDerWaalsContact CB-OD2 3.25Å; S115-D272 WeakPolarHBondContact CB-OD2 3.48Å; S115-D272 PolarHBondContact OG-OD1 3.21Å; S115-D272 PolarHBondContact OG-OD2 2.81Å; Y116-D272 WeakPolarHBondContact CA-OD1 3.48Å; Y116-D272 PolarHBondContact N-OD1 2.84Å; A117-D272 PolarHBondContact N-OD1 3.49Å; L268-D272 WeakPolarHBondContact CD2-OD2 3.4Å; L268-D272 WeakPolarHBondContact O-CB 3.48Å; L268-D272 PolarHBondContact O-N 3.27Å; D272-F274 VanDerWaalsContact C-N 3.29Å; D272-F274 PolarHBondContact O-N 3.37Å; D272-F275 PolarHBondContact O-N 2.85Å; D272-Y276 HydrophobicContact CB-CD2 4.27Å; D272-Y276 HydrophobicContact CB-CE2 4.5Å; D272-Y276 WeakPolarHBondContact O-CB 3.43Å; D272-Y276 WeakPolarHBondContact O-CD2 3.31Å; D272-Y276 PolarHBondContact O-N 3.27Å; D272-V280 HydrophobicContact CB-CB 4.38Å; D272-V280 HydrophobicContact CB-CG1 4.13Å
273	S	98	Very high	97	Very high	23 Å²	23	49.3 Å²	49.3	16%	0.161	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-31.2	178.6	-55.3	0	0	0	0	113.2	V269 V271 G277 K278 L279 V280	V269-S273 WeakPolarHBondContact O-CB 3.25Å; V269-S273 PolarHBondContact O-N 3.18Å; V269-S273 PolarHBondContact O-OG 3.29Å; V271-S273 VanDerWaalsContact C-N 3.34Å; V271-S273 PolarHBondContact O-N 3.44Å; S273-G277 WeakPolarHBondContact O-CA 3.05Å; S273-G277 PolarHBondContact O-N 3.39Å; S273-K278 WeakPolarHBondContact CA-O 3.27Å; S273-K278 VanDerWaalsContact CB-O 3.25Å; S273-K278 WeakPolarHBondContact CB-O 3.38Å; S273-K278 PolarHBondContact O-N 2.86Å; S273-L279 WeakPolarHBondContact OG-CA 3.05Å; S273-V280 PolarHBondContact OG-N 2.82Å
274	F	97.1	Very high	96.9	Very high	136 Å²	136	48.3 Å²	48.3	60%	0.596	28%	0.277	S	S	*	.	H	α-helix	trans	-66.8	-48.9	172.8	172.9	-94.5	0	0	0	111.5	A270 V271 D272 G277 Q512	A270-F274 WeakPolarHBondContact O-CB 3.45Å; A270-F274 PolarHBondContact O-N 3.43Å; A270-F274 VanDerWaalsContact O-N 3.15Å; V271-F274 WeakPolarHBondContact O-CB 3.43Å; V271-F274 PolarHBondContact O-N 3.46Å; D272-F274 VanDerWaalsContact C-N 3.29Å; D272-F274 PolarHBondContact O-N 3.37Å; F274-G277 PolarHBondContact O-N 2.87Å; F274-Q512 PolarHBondContact O-NE2 3.31Å
275	F	96.8	Very high	96.7	Very high	33 Å²	33	48.5 Å²	48.5	15%	0.145	28%	0.278	C	S	.	.	H	α-helix	trans	-69.9	-34.9	-179.3	-81.7	-76.8	0	0	0	113.4	L96 Y116 W120 V271 D272 T511 Q512	L96-F275 HydrophobicContact CD2-CD1 4.32Å; L96-F275 HydrophobicContact CD2-CE1 3.73Å; L96-F275 HydrophobicContact CD2-CZ 4.16Å; Y116-F275 HydrophobicContact CD1-CB 4.18Å; Y116-F275 HydrophobicContact CD1-CD1 4.31Å; Y116-F275 HydrophobicContact CD1-CG 4.15Å; Y116-F275 HydrophobicContact CD2-CB 3.43Å; Y116-F275 VanDerWaalsContact CD2-CB 3.43Å; Y116-F275 HydrophobicContact CD2-CG 4.23Å; Y116-F275 HydrophobicContact CE2-CB 3.94Å; Y116-F275 HydrophobicContact CG-CB 3.56Å; Y116-F275 HydrophobicContact CG-CD1 4.45Å; Y116-F275 HydrophobicContact CG-CD2 4.29Å; Y116-F275 AromaticContact CG-CG 3.84Å; Y116-F275 HydrophobicContact CG-CG 3.84Å; W120-F275 AromaticContact CD1-CE2 3.64Å; W120-F275 AromaticContact CE2-CZ 3.84Å; W120-F275 HydrophobicContact CZ2-CZ 4.07Å; W120-F275 AromaticContact NE1-CE2 3.11Å; W120-F275 AromaticContact NE1-CZ 3.09Å; V271-F275 HydrophobicContact CG1-CD2 3.87Å; V271-F275 HydrophobicContact CG1-CE2 4.02Å; V271-F275 WeakPolarHBondContact O-CD2 3.27Å; V271-F275 PolarHBondContact O-N 3.08Å; D272-F275 PolarHBondContact O-N 2.85Å; F275-T511 HydrophobicContact CD1-CG2 4.07Å; F275-T511 CarbonylContact O-C 3.52Å; F275-T511 VanDerWaalsContact O-C 3.23Å; F275-T511 VanDerWaalsContact O-CB 3.25Å; F275-T511 WeakPolarHBondContact O-CB 3.22Å; F275-T511 PolarHBondContact O-OG1 3.13Å; F275-Q512 VanDerWaalsContact O-CG 3.23Å; F275-Q512 WeakPolarHBondContact O-CG 3.49Å
276	Y	97.3	Very high	96.4	Very high	4 Å²	4	47 Å²	47	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-84	-13.1	175.9	-74.3	-66.1	0	0	0	114.6	Y107 P109 A112 R114 Y116 D272 K278 V280	Y107-Y276 WeakPolarHBondContact O-CE1 3.19Å; P109-Y276 HydrophobicContact CB-CD1 4.18Å; P109-Y276 HydrophobicContact CG-CD1 4.12Å; A112-Y276 HydrophobicContact CB-CD1 3.75Å; A112-Y276 HydrophobicContact CB-CD2 3.96Å; A112-Y276 HydrophobicContact CB-CE1 3.52Å; A112-Y276 HydrophobicContact CB-CE2 3.78Å; A112-Y276 HydrophobicContact CB-CG 3.95Å; R114-Y276 WeakPolarHBondContact O-CE2 3.45Å; R114-Y276 PolarHBondContact O-OH 3.48Å; Y116-Y276 HydrophobicContact CD2-CD2 4.07Å; Y116-Y276 HydrophobicContact CD2-CE1 4.4Å; Y116-Y276 AromaticContact CD2-CE2 3.7Å; Y116-Y276 HydrophobicContact CD2-CE2 3.7Å; Y116-Y276 AromaticContact CD2-CZ 3.9Å; Y116-Y276 HydrophobicContact CE2-CD1 4.06Å; Y116-Y276 HydrophobicContact CE2-CD2 4.23Å; Y116-Y276 AromaticContact CE2-CE1 3.7Å; Y116-Y276 HydrophobicContact CE2-CE1 3.7Å; Y116-Y276 AromaticContact CE2-CE2 3.86Å; Y116-Y276 HydrophobicContact CE2-CE2 3.86Å; Y116-Y276 HydrophobicContact CE2-CG 4.33Å; Y116-Y276 AromaticContact CE2-CZ 3.58Å; D272-Y276 HydrophobicContact CB-CD2 4.27Å; D272-Y276 HydrophobicContact CB-CE2 4.5Å; D272-Y276 WeakPolarHBondContact O-CB 3.43Å; D272-Y276 WeakPolarHBondContact O-CD2 3.31Å; D272-Y276 PolarHBondContact O-N 3.27Å; Y276-K278 PolarHBondContact O-N 3.38Å; Y276-V280 HydrophobicContact CD2-CB 3.97Å; Y276-V280 HydrophobicContact CD2-CG1 3.76Å; Y276-V280 HydrophobicContact CD2-CG2 3.75Å; Y276-V280 HydrophobicContact CE2-CG1 3.98Å; Y276-V280 HydrophobicContact CG-CG2 3.9Å
277	G	96.2	Very high	96.1	Very high	52 Å²	52	45.7 Å²	45.7	54%	0.536	26%	0.26	S	S	.	.	S	Bend	trans	70.6	7.2	-179.8	0	0	0	0	0	115.1	S273 F274	S273-G277 WeakPolarHBondContact O-CA 3.05Å; S273-G277 PolarHBondContact O-N 3.39Å; F274-G277 PolarHBondContact O-N 2.87Å
278	K	96.1	Very high	95.7	Very high	88 Å²	88	46.5 Å²	46.5	38%	0.383	26%	0.26	S	S	.	.	S	Bend	trans	-141.3	161.9	177.5	77.8	-178.9	-166.3	-178.9	0	109.2	P109 L110 S273 Y276 V280	P109-K278 WeakPolarHBondContact O-CE 3.43Å; P109-K278 PolarHBondContact O-NZ 3.27Å; L110-K278 PolarHBondContact O-NZ 2.9Å; S273-K278 WeakPolarHBondContact CA-O 3.27Å; S273-K278 VanDerWaalsContact CB-O 3.25Å; S273-K278 WeakPolarHBondContact CB-O 3.38Å; S273-K278 PolarHBondContact O-N 2.86Å; Y276-K278 PolarHBondContact O-N 3.38Å; K278-V280 HydrophobicContact CD-CG2 4.39Å; K278-V280 HydrophobicContact CG-CG2 3.72Å; K278-V280 PolarHBondContact O-N 2.94Å
279	L	97.4	Very high	95.2	Very high	139 Å²	139	47.1 Å²	47.1	73%	0.728	26%	0.262	S	S	*	.			trans	-61.5	120.5	172.8	-177.8	62.8	0	0	0	110.5	V269 S273	V269-L279 HydrophobicContact CG1-CD1 3.86Å; S273-L279 WeakPolarHBondContact OG-CA 3.05Å
280	V	96.8	Very high	94.5	Very high	1 Å²	1	48 Å²	48	1%	0.006	27%	0.267	C	S	.	.			trans	-130.9	133	-178.7	169.3	0	0	0	0	111	A112 D272 S273 Y276 K278 A282	A112-V280 HydrophobicContact CB-CG1 4.01Å; A112-V280 HydrophobicContact CB-CG2 3.82Å; D272-V280 HydrophobicContact CB-CB 4.38Å; D272-V280 HydrophobicContact CB-CG1 4.13Å; S273-V280 PolarHBondContact OG-N 2.82Å; Y276-V280 HydrophobicContact CD2-CB 3.97Å; Y276-V280 HydrophobicContact CD2-CG1 3.76Å; Y276-V280 HydrophobicContact CD2-CG2 3.75Å; Y276-V280 HydrophobicContact CE2-CG1 3.98Å; Y276-V280 HydrophobicContact CG-CG2 3.9Å; K278-V280 HydrophobicContact CD-CG2 4.39Å; K278-V280 HydrophobicContact CG-CG2 3.72Å; K278-V280 PolarHBondContact O-N 2.94Å; V280-A282 HydrophobicContact CG1-CB 4.15Å
281	I	96.9	Very high	93.8	Very high	58 Å²	58	49 Å²	49	30%	0.297	27%	0.266	S	S	.	.			trans	-120.7	78.6	168.5	-49.6	-179.4	0	0	0	106.9	L265 V269 P283 L284 N285	L265-I281 HydrophobicContact CD1-CG2 4.15Å; V269-I281 HydrophobicContact CG1-CG1 4.47Å; V269-I281 HydrophobicContact CG2-CB 4.33Å; V269-I281 HydrophobicContact CG2-CG1 3.93Å; V269-I281 HydrophobicContact CG2-CG2 4.17Å; I281-P283 VanDerWaalsContact C-CD 3.44Å; I281-P283 VanDerWaalsContact C-N 3.32Å; I281-L284 HydrophobicContact CB-CB 4.04Å; I281-L284 HydrophobicContact CG2-CB 3.75Å; I281-L284 WeakPolarHBondContact O-CA 3.26Å; I281-L284 WeakPolarHBondContact O-CB 3.23Å; I281-L284 PolarHBondContact O-N 3.36Å; I281-N285 PolarHBondContact O-N 3.2Å; I281-N285 PolarHBondContact O-OD1 2.88Å
282	A	94.3	Very high	92.9	Very high	3 Å²	3	54.2 Å²	54.2	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-53	-39.2	-172.6	0	0	0	0	0	114.3	V280 L284 N285 I286	V280-A282 HydrophobicContact CG1-CB 4.15Å; A282-L284 VanDerWaalsContact C-N 3.26Å; A282-L284 PolarHBondContact O-N 3.34Å; A282-N285 PolarHBondContact O-N 2.85Å; A282-I286 WeakPolarHBondContact O-CG2 3.4Å; A282-I286 PolarHBondContact O-N 2.92Å
283	P	94	Very high	91.9	Very high	19 Å²	19	57.1 Å²	57.1	12%	0.123	30%	0.302	C	S	.	.	H	α-helix	trans	-64.8	-23.8	174.5	-23.2	35	0	0	0	114.6	I226 L268 I281 L287	I226-P283 WeakPolarHBondContact O-CG 3.49Å; L268-P283 HydrophobicContact CD1-CG 4.34Å; L268-P283 HydrophobicContact CD2-CG 4.05Å; I281-P283 VanDerWaalsContact C-CD 3.44Å; I281-P283 VanDerWaalsContact C-N 3.32Å; P283-L287 WeakPolarHBondContact O-CD1 3.27Å; P283-L287 WeakPolarHBondContact O-CG 3.35Å
284	L	93.9	Very high	90.3	Very high	81 Å²	81	65.2 Å²	65.2	42%	0.424	34%	0.338	S	S	.	.	H	α-helix	trans	-82.2	-43.3	171.2	179.5	60.8	0	0	0	110.5	I281 A282 I286 L287 L288	I281-L284 HydrophobicContact CB-CB 4.04Å; I281-L284 HydrophobicContact CG2-CB 3.75Å; I281-L284 WeakPolarHBondContact O-CA 3.26Å; I281-L284 WeakPolarHBondContact O-CB 3.23Å; I281-L284 PolarHBondContact O-N 3.36Å; A282-L284 VanDerWaalsContact C-N 3.26Å; A282-L284 PolarHBondContact O-N 3.34Å; L284-I286 VanDerWaalsContact C-N 3.34Å; L284-I286 PolarHBondContact O-N 3.01Å; L284-L287 WeakPolarHBondContact O-CB 3.29Å; L284-L287 PolarHBondContact O-N 3.48Å; L284-L287 VanDerWaalsContact O-N 3.13Å; L284-L288 HydrophobicContact CD1-CD1 4.31Å; L284-L288 HydrophobicContact CD1-CG 4.21Å; L284-L288 HydrophobicContact CG-CD1 3.99Å; L284-L288 HydrophobicContact CG-CG 4.34Å; L284-L288 WeakPolarHBondContact O-CG 3.28Å; L284-L288 PolarHBondContact O-N 3.41Å
285	N	94.5	Very high	89	Confident	40 Å²	40	63.2 Å²	63.2	21%	0.214	33%	0.33	C	S	.	.	H	α-helix	trans	-59.2	-43.2	179.7	-63.5	-4.9	0	0	0	111.8	A112 I113 I281 A282 L288 Y289	A112-N285 PolarHBondContact O-ND2 3.19Å; I113-N285 HydrophobicContact CG2-CB 4.02Å; I281-N285 PolarHBondContact O-N 3.2Å; I281-N285 PolarHBondContact O-OD1 2.88Å; A282-N285 PolarHBondContact O-N 2.85Å; N285-L288 PolarHBondContact O-N 2.7Å; N285-Y289 WeakPolarHBondContact O-CB 3.48Å; N285-Y289 PolarHBondContact O-N 2.72Å
286	I	91.8	Very high	87.9	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.077	33%	0.325	C	S	.	.	H	α-helix	trans	-68.7	-31	176.5	-163.9	173.8	0	0	0	113.1	I113 P230 A282 L284 N290	I113-I286 HydrophobicContact CB-CB 4.22Å; P230-I286 HydrophobicContact CG-CG2 3.58Å; A282-I286 WeakPolarHBondContact O-CG2 3.4Å; A282-I286 PolarHBondContact O-N 2.92Å; L284-I286 VanDerWaalsContact C-N 3.34Å; L284-I286 PolarHBondContact O-N 3.01Å; I286-N290 VanDerWaalsContact O-CB 3.3Å; I286-N290 WeakPolarHBondContact O-CB 3.35Å; I286-N290 PolarHBondContact O-N 3.03Å
287	L	90.3	Very high	86.8	Confident	59 Å²	59	63.6 Å²	63.6	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-68.2	-44.9	171.3	-79.3	172.2	0	0	0	111.1	P230 F231 P283 L284 V291	P230-L287 HydrophobicContact CB-CD1 3.87Å; P230-L287 HydrophobicContact CB-CD2 4.03Å; P230-L287 HydrophobicContact CB-CG 3.83Å; P230-L287 HydrophobicContact CG-CD1 4.28Å; P230-L287 HydrophobicContact CG-CD2 4.02Å; P230-L287 HydrophobicContact CG-CG 3.72Å; F231-L287 HydrophobicContact CE1-CD2 4.06Å; F231-L287 HydrophobicContact CE2-CD2 4.04Å; F231-L287 HydrophobicContact CZ-CD2 3.76Å; P283-L287 WeakPolarHBondContact O-CD1 3.27Å; P283-L287 WeakPolarHBondContact O-CG 3.35Å; L284-L287 WeakPolarHBondContact O-CB 3.29Å; L284-L287 PolarHBondContact O-N 3.48Å; L284-L287 VanDerWaalsContact O-N 3.13Å; L287-V291 VanDerWaalsContact O-CB 3.25Å; L287-V291 WeakPolarHBondContact O-CB 3.36Å; L287-V291 WeakPolarHBondContact O-CG2 3.28Å; L287-V291 PolarHBondContact O-N 3.19Å; L287-V291 VanDerWaalsContact O-N 3.07Å
288	L	89.8	Confident	86	Confident	83 Å²	83	64.4 Å²	64.4	44%	0.435	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-47.2	177.3	-69.3	172.7	0	0	0	111	L284 N285 F292	L284-L288 HydrophobicContact CD1-CD1 4.31Å; L284-L288 HydrophobicContact CD1-CG 4.21Å; L284-L288 HydrophobicContact CG-CD1 3.99Å; L284-L288 HydrophobicContact CG-CG 4.34Å; L284-L288 WeakPolarHBondContact O-CG 3.28Å; L284-L288 PolarHBondContact O-N 3.41Å; N285-L288 PolarHBondContact O-N 2.7Å; L288-F292 HydrophobicContact CD2-CD2 4.17Å; L288-F292 HydrophobicContact CD2-CE2 4.48Å; L288-F292 WeakPolarHBondContact O-CA 3.13Å; L288-F292 WeakPolarHBondContact O-CB 3.11Å; L288-F292 PolarHBondContact O-N 3.49Å
289	Y	86.4	Confident	85.2	Confident	19 Å²	19	62.4 Å²	62.4	8%	0.075	32%	0.323	C	S	.	.	H	α-helix	trans	-61.6	-55.7	177	-176.5	-102.1	0	0	0	112.4	W105 I113 N285 V291 T293 D520	W105-Y289 HydrophobicContact CH2-CD1 4.27Å; W105-Y289 HydrophobicContact CH2-CD2 4.37Å; W105-Y289 AromaticContact CH2-CE1 3.69Å; W105-Y289 HydrophobicContact CH2-CE1 3.69Å; W105-Y289 AromaticContact CH2-CE2 3.79Å; W105-Y289 HydrophobicContact CH2-CE2 3.79Å; W105-Y289 AromaticContact CH2-CZ 3.42Å; W105-Y289 VanDerWaalsContact CH2-CZ 3.42Å; W105-Y289 HydrophobicContact CZ2-CE1 4.2Å; W105-Y289 AromaticContact CZ2-CZ 3.97Å; W105-Y289 HydrophobicContact CZ3-CE2 4.32Å; I113-Y289 HydrophobicContact CD1-CD1 4.1Å; I113-Y289 HydrophobicContact CD1-CG 4.48Å; N285-Y289 WeakPolarHBondContact O-CB 3.48Å; N285-Y289 PolarHBondContact O-N 2.72Å; Y289-V291 VanDerWaalsContact C-N 3.35Å; Y289-V291 PolarHBondContact O-N 2.68Å; Y289-T293 HydrophobicContact CD2-CG2 4.02Å; Y289-T293 WeakPolarHBondContact O-CB 3.26Å; Y289-T293 WeakPolarHBondContact O-CG2 3.07Å; Y289-T293 PolarHBondContact O-N 3.24Å; Y289-T293 PolarHBondContact O-OG1 3.41Å; Y289-D520 HydrophobicContact CE2-CB 4.03Å; Y289-D520 PolarHBondContact OH-O 2.86Å
290	N	84.4	Confident	84.3	Confident	45 Å²	45	60.3 Å²	60.3	24%	0.241	31%	0.306	C	S	.	.	H	α-helix	trans	-74.2	-16.8	-172.6	-77.5	-6.6	0	0	0	115.2	F231 I286	F231-N290 HydrophobicContact CE2-CB 4.33Å; F231-N290 HydrophobicContact CZ-CB 3.75Å; I286-N290 VanDerWaalsContact O-CB 3.3Å; I286-N290 WeakPolarHBondContact O-CB 3.35Å; I286-N290 PolarHBondContact O-N 3.03Å
291	V	82.3	Confident	83.7	Confident	80 Å²	80	62 Å²	62	49%	0.485	32%	0.324	S	S	.	.	H	α-helix	trans	-116.5	-24.8	-173.3	-175.4	0	0	0	0	113.1	F231 L287 Y289	F231-V291 HydrophobicContact CE1-CG2 3.85Å; F231-V291 HydrophobicContact CZ-CG2 3.95Å; L287-V291 VanDerWaalsContact O-CB 3.25Å; L287-V291 WeakPolarHBondContact O-CB 3.36Å; L287-V291 WeakPolarHBondContact O-CG2 3.28Å; L287-V291 PolarHBondContact O-N 3.19Å; L287-V291 VanDerWaalsContact O-N 3.07Å; Y289-V291 VanDerWaalsContact C-N 3.35Å; Y289-V291 PolarHBondContact O-N 2.68Å
292	F	79.9	Confident	83.4	Confident	161 Å²	161	63.5 Å²	63.5	71%	0.706	34%	0.336	S	S	*	.	H	α-helix	trans	-122.7	7.5	-172.3	-57.8	-95.3	0	0	0	114.4	L288	L288-F292 HydrophobicContact CD2-CD2 4.17Å; L288-F292 HydrophobicContact CD2-CE2 4.48Å; L288-F292 WeakPolarHBondContact O-CA 3.13Å; L288-F292 WeakPolarHBondContact O-CB 3.11Å; L288-F292 PolarHBondContact O-N 3.49Å
293	T	76.4	Confident	83.4	Confident	60 Å²	60	67.6 Å²	67.6	37%	0.368	35%	0.354	S	S	.	.	S	Bend	trans	-101	154.5	168.4	69.6	0	0	0	0	111.3	Y289 H295 G296	Y289-T293 HydrophobicContact CD2-CG2 4.02Å; Y289-T293 WeakPolarHBondContact O-CB 3.26Å; Y289-T293 WeakPolarHBondContact O-CG2 3.07Å; Y289-T293 PolarHBondContact O-N 3.24Å; Y289-T293 PolarHBondContact O-OG1 3.41Å; T293-H295 VanDerWaalsContact C-N 3.32Å; T293-H295 PolarHBondContact O-N 3.01Å; T293-G296 PolarHBondContact OG1-N 3.46Å
294	E	64.9	Low	83.3	Confident	193 Å²	193	69.3 Å²	69.3	90%	0.902	37%	0.366	S	S	*	.	S	Bend	trans	-75.2	-17.7	-178.1	-60.4	-172.1	160	0	0	113.9
295	H	69.2	Low	83.1	Confident	94 Å²	94	74.1 Å²	74.1	44%	0.435	38%	0.378	S	S	.	.	S	Bend	trans	-100.3	-40.6	-178.6	-55.5	-33.1	0	0	0	112.5	T293	T293-H295 VanDerWaalsContact C-N 3.32Å; T293-H295 PolarHBondContact O-N 3.01Å
296	G	72.5	Confident	83.1	Confident	5 Å²	5	75.9 Å²	75.9	5%	0.052	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	49.6	-145.6	175.3	0	0	0	0	0	114	T293	T293-G296 PolarHBondContact OG1-N 3.46Å
297	P	75.6	Confident	83.3	Confident	41 Å²	41	76.8 Å²	76.8	27%	0.266	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-81.2	-15.2	-179.4	34.7	-37	0	0	0	114	L299 Y300 H368	P297-L299 PolarHBondContact O-N 3.34Å; P297-L299 VanDerWaalsContact O-N 3.11Å; P297-Y300 PolarHBondContact O-N 3.17Å; P297-Y300 VanDerWaalsContact O-N 3.17Å; P297-H368 HydrophobicContact CB-CB 4.37Å; P297-H368 HydrophobicContact CG-CB 4.4Å; P297-H368 PolarHBondContact O-ND1 3.47Å
298	D	79.9	Confident	83.6	Confident	68 Å²	68	74 Å²	74	36%	0.364	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-64	-17.7	-179	-67.4	-23	0	0	0	113.1	Y300 G301 T302 P367 H368	D298-Y300 PolarHBondContact O-N 3.08Å; D298-Y300 VanDerWaalsContact O-N 3.17Å; D298-G301 PolarHBondContact O-N 2.99Å; D298-T302 HydrophobicContact CB-CG2 3.98Å; D298-P367 WeakPolarHBondContact OD1-CG 3.26Å; D298-P367 VanDerWaalsContact OD2-CG 3.22Å; D298-P367 WeakPolarHBondContact OD2-CG 3.41Å; D298-H368 WeakPolarHBondContact OD1-CB 3.4Å; D298-H368 PolarHBondContact OD1-N 2.91Å
299	L	78.1	Confident	83.8	Confident	47 Å²	47	73.7 Å²	73.7	25%	0.246	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-51.2	-29.1	170.1	-171.2	68.9	0	0	0	114.4	P297 G301 D520 N522	P297-L299 PolarHBondContact O-N 3.34Å; P297-L299 VanDerWaalsContact O-N 3.11Å; L299-G301 VanDerWaalsContact C-N 3.33Å; L299-D520 VanDerWaalsContact CD2-O 3.23Å; L299-D520 WeakPolarHBondContact CD2-O 3.42Å; L299-N522 HydrophobicContact CD1-CB 4.35Å; L299-N522 HydrophobicContact CD2-CB 3.87Å; L299-N522 HydrophobicContact CG-CB 3.86Å
300	Y	78.2	Confident	84.3	Confident	94 Å²	94	77.4 Å²	77.4	37%	0.369	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-94.4	10.6	179.6	-60.3	-77.8	0	0	0	113.1	W105 P297 D298 N522	W105-Y300 WeakPolarHBondContact CZ2-OH 3.27Å; W105-Y300 PolarHBondContact NE1-OH 3.28Å; P297-Y300 PolarHBondContact O-N 3.17Å; P297-Y300 VanDerWaalsContact O-N 3.17Å; D298-Y300 PolarHBondContact O-N 3.08Å; D298-Y300 VanDerWaalsContact O-N 3.17Å; Y300-N522 HydrophobicContact CE1-CB 4.08Å
301	G	85.1	Confident	84.8	Confident	38 Å²	38	76.2 Å²	76.2	39%	0.392	38%	0.383	S	S	.	.			trans	102.2	163.7	179.6	0	0	0	0	0	113.1	D298 L299 H368	D298-G301 PolarHBondContact O-N 2.99Å; L299-G301 VanDerWaalsContact C-N 3.33Å; G301-H368 PolarHBondContact O-ND1 2.73Å
302	T	90.3	Very high	85.5	Confident	89 Å²	89	72.5 Å²	72.5	55%	0.546	36%	0.361	S	S	.	.			trans	-129.7	149.9	-178.1	63.8	0	0	0	0	111	D298 P367	D298-T302 HydrophobicContact CB-CG2 3.98Å; T302-P367 HydrophobicContact CG2-CB 3.94Å
303	E	93.1	Very high	86.3	Confident	89 Å²	89	67.9 Å²	67.9	42%	0.416	35%	0.346	S	S	.	.			trans	-124.8	150.9	-172.1	-79	-78	-173.9	0	0	109.9	F307 P367 K369	E303-F307 HydrophobicContact CB-CB 3.97Å; E303-F307 HydrophobicContact CB-CD1 4.44Å; E303-F307 HydrophobicContact CB-CD2 3.8Å; E303-F307 HydrophobicContact CB-CE2 4.37Å; E303-F307 HydrophobicContact CB-CG 3.84Å; E303-F307 HydrophobicContact CG-CD2 3.66Å; E303-F307 HydrophobicContact CG-CE2 3.76Å; E303-F307 HydrophobicContact CG-CG 4.16Å; E303-F307 HydrophobicContact CG-CZ 4.36Å; E303-F307 WeakPolarHBondContact OE2-CD2 3.35Å; E303-P367 PolarHBondContact N-O 3.49Å; E303-K369 HydrophobicContact CB-CB 4.04Å; E303-K369 HydrophobicContact CB-CD 4.14Å; E303-K369 HydrophobicContact CB-CG 4.36Å; E303-K369 PolarHBondContact O-NZ 2.83Å
304	P	93.7	Very high	87.2	Confident	55 Å²	55	67 Å²	67	36%	0.357	34%	0.339	S	S	.	.			trans	-69	160.5	-175	30.7	-33.5	0	0	0	111.7	H306 F307	P304-H306 VanDerWaalsContact CG-CE1 3.48Å; P304-H306 WeakPolarHBondContact CG-CE1 3.4Å; P304-H306 WeakPolarHBondContact CG-NE2 3.23Å; P304-H306 PolarHBondContact O-N 3.37Å; P304-F307 WeakPolarHBondContact O-CB 3.46Å; P304-F307 PolarHBondContact O-N 3.37Å
305	W	89.6	Confident	88.7	Confident	182 Å²	182	57.9 Å²	57.9	69%	0.689	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.3	-176.9	70.7	-96.3	0	0	0	113.9	F307 F309	W305-F307 VanDerWaalsContact C-N 3.33Å; W305-F307 PolarHBondContact O-N 3.1Å; W305-F309 HydrophobicContact CE3-CD2 4.04Å; W305-F309 HydrophobicContact CE3-CE2 4.04Å; W305-F309 AromaticContact CZ3-CD2 3.91Å; W305-F309 HydrophobicContact CZ3-CD2 3.91Å; W305-F309 AromaticContact CZ3-CE2 3.96Å; W305-F309 HydrophobicContact CZ3-CE2 3.96Å
306	H	93.8	Very high	90.1	Very high	76 Å²	76	53.4 Å²	53.4	35%	0.352	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.1	-178.6	62	-108.4	0	0	0	114.1	P304 Y308 F309 L310	P304-H306 VanDerWaalsContact CG-CE1 3.48Å; P304-H306 WeakPolarHBondContact CG-CE1 3.4Å; P304-H306 WeakPolarHBondContact CG-NE2 3.23Å; P304-H306 PolarHBondContact O-N 3.37Å; H306-Y308 PolarHBondContact O-N 3.16Å; H306-F309 WeakPolarHBondContact O-CB 3.47Å; H306-F309 PolarHBondContact O-N 2.97Å; H306-L310 PolarHBondContact O-N 2.93Å
307	F	95.5	Very high	91.2	Very high	34 Å²	34	53.6 Å²	53.6	15%	0.149	28%	0.275	C	S	.	.	H	α-helix	trans	-52.8	-48.4	-177.9	176.2	-91.4	0	0	0	112.9	E303 P304 W305 L310 N311 K369	E303-F307 HydrophobicContact CB-CB 3.97Å; E303-F307 HydrophobicContact CB-CD1 4.44Å; E303-F307 HydrophobicContact CB-CD2 3.8Å; E303-F307 HydrophobicContact CB-CE2 4.37Å; E303-F307 HydrophobicContact CB-CG 3.84Å; E303-F307 HydrophobicContact CG-CD2 3.66Å; E303-F307 HydrophobicContact CG-CE2 3.76Å; E303-F307 HydrophobicContact CG-CG 4.16Å; E303-F307 HydrophobicContact CG-CZ 4.36Å; E303-F307 WeakPolarHBondContact OE2-CD2 3.35Å; P304-F307 WeakPolarHBondContact O-CB 3.46Å; P304-F307 PolarHBondContact O-N 3.37Å; W305-F307 VanDerWaalsContact C-N 3.33Å; W305-F307 PolarHBondContact O-N 3.1Å; F307-L310 PolarHBondContact O-N 2.84Å; F307-N311 WeakPolarHBondContact CD1-ND2 3.35Å; F307-N311 VanDerWaalsContact CE1-ND2 3.29Å; F307-N311 WeakPolarHBondContact CE1-ND2 3.24Å; F307-N311 WeakPolarHBondContact CZ-ND2 3.46Å; F307-N311 PolarHBondContact O-N 3.24Å; F307-N311 PolarHBondContact O-ND2 3.11Å; F307-K369 HydrophobicContact CB-CD 3.93Å; F307-K369 HydrophobicContact CD1-CB 3.61Å; F307-K369 HydrophobicContact CD1-CD 4.07Å; F307-K369 HydrophobicContact CD1-CG 4.46Å; F307-K369 HydrophobicContact CE1-CB 3.85Å; F307-K369 HydrophobicContact CG-CB 4.35Å; F307-K369 HydrophobicContact CG-CD 4.33Å
308	Y	95.9	Very high	92.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-73.5	-25.7	178.6	-69.4	-46	0	0	0	113.8	H306 G312 F363 F364 K369 E370 F373 L374	H306-Y308 PolarHBondContact O-N 3.16Å; Y308-G312 PolarHBondContact O-N 2.76Å; Y308-F363 HydrophobicContact CE2-CB 4.25Å; Y308-F363 WeakPolarHBondContact CE2-O 3.39Å; Y308-F364 HydrophobicContact CD2-CB 4.39Å; Y308-F364 HydrophobicContact CD2-CD1 4.47Å; Y308-F364 AromaticContact CD2-CD2 3.52Å; Y308-F364 HydrophobicContact CD2-CD2 3.52Å; Y308-F364 AromaticContact CD2-CE2 3.88Å; Y308-F364 HydrophobicContact CD2-CE2 3.88Å; Y308-F364 AromaticContact CD2-CG 3.86Å; Y308-F364 HydrophobicContact CD2-CG 3.86Å; Y308-F364 HydrophobicContact CE2-CD2 4.3Å; Y308-F364 HydrophobicContact CG-CD2 4.07Å; Y308-F364 AromaticContact CG-CE2 3.95Å; Y308-F364 HydrophobicContact CG-CE2 3.95Å; Y308-F364 HydrophobicContact CG-CZ 4.28Å; Y308-K369 HydrophobicContact CD2-CD 3.88Å; Y308-K369 HydrophobicContact CD2-CG 4.18Å; Y308-K369 HydrophobicContact CE1-CB 3.91Å; Y308-K369 HydrophobicContact CE2-CB 3.83Å; Y308-K369 HydrophobicContact CE2-CD 3.77Å; Y308-K369 HydrophobicContact CE2-CG 3.54Å; Y308-K369 HydrophobicContact CG-CD 4.47Å; Y308-K369 VanDerWaalsContact CZ-CB 3.48Å; Y308-K369 WeakPolarHBondContact OH-CA 3.38Å; Y308-K369 WeakPolarHBondContact OH-CB 3.29Å; Y308-E370 WeakPolarHBondContact CE1-O 3.34Å; Y308-E370 PolarHBondContact OH-N 3.13Å; Y308-F373 WeakPolarHBondContact OH-CD2 3.36Å; Y308-L374 HydrophobicContact CD1-CD1 3.51Å; Y308-L374 HydrophobicContact CD1-CD2 3.84Å; Y308-L374 HydrophobicContact CD1-CG 3.62Å; Y308-L374 HydrophobicContact CE1-CD1 4.2Å; Y308-L374 HydrophobicContact CE1-CD2 3.97Å; Y308-L374 HydrophobicContact CE1-CG 3.79Å; Y308-L374 HydrophobicContact CG-CD1 4.08Å; Y308-L374 HydrophobicContact CG-CD2 4.12Å; Y308-L374 HydrophobicContact CG-CG 4.33Å
309	F	95.6	Very high	93.1	Very high	77 Å²	77	50.7 Å²	50.7	34%	0.338	26%	0.257	S	S	.	.	H	α-helix	trans	-67.8	-42.9	170.5	-72.6	-84.3	0	0	0	110.9	W305 H306 G312 V313 F320 L324 F364	W305-F309 HydrophobicContact CE3-CD2 4.04Å; W305-F309 HydrophobicContact CE3-CE2 4.04Å; W305-F309 AromaticContact CZ3-CD2 3.91Å; W305-F309 HydrophobicContact CZ3-CD2 3.91Å; W305-F309 AromaticContact CZ3-CE2 3.96Å; W305-F309 HydrophobicContact CZ3-CE2 3.96Å; H306-F309 WeakPolarHBondContact O-CB 3.47Å; H306-F309 PolarHBondContact O-N 2.97Å; F309-G312 PolarHBondContact O-N 3.33Å; F309-V313 WeakPolarHBondContact O-CB 3.28Å; F309-V313 VanDerWaalsContact O-CG2 3.32Å; F309-V313 WeakPolarHBondContact O-CG2 3.33Å; F309-V313 PolarHBondContact O-N 3.47Å; F309-F320 AromaticContact CD1-CE1 3.97Å; F309-F320 HydrophobicContact CD1-CE1 3.97Å; F309-F320 HydrophobicContact CD1-CZ 4.39Å; F309-L324 HydrophobicContact CD1-CD1 4.31Å; F309-L324 HydrophobicContact CE1-CD1 4.02Å; F309-F364 HydrophobicContact CD1-CE1 4.38Å; F309-F364 HydrophobicContact CD2-CD1 4.01Å; F309-F364 AromaticContact CD2-CE1 3.81Å; F309-F364 HydrophobicContact CD2-CE1 3.81Å; F309-F364 HydrophobicContact CE1-CE1 4.22Å; F309-F364 AromaticContact CE2-CD1 3.56Å; F309-F364 HydrophobicContact CE2-CD1 3.56Å; F309-F364 AromaticContact CE2-CE1 3.64Å; F309-F364 HydrophobicContact CE2-CE1 3.64Å; F309-F364 HydrophobicContact CG-CE1 4.19Å; F309-F364 HydrophobicContact CZ-CD1 4Å; F309-F364 AromaticContact CZ-CE1 3.85Å; F309-F364 HydrophobicContact CZ-CE1 3.85Å
310	L	95.3	Very high	94	Very high	98 Å²	98	48.6 Å²	48.6	51%	0.513	25%	0.246	S	C	.	.	H	α-helix	trans	-62.3	-47.9	173.6	-66.9	-176.5	0	0	0	111.6	H306 F307 G312 V313 L314	H306-L310 PolarHBondContact O-N 2.93Å; F307-L310 PolarHBondContact O-N 2.84Å; L310-G312 PolarHBondContact O-N 3.39Å; L310-V313 PolarHBondContact O-N 2.94Å; L310-L314 WeakPolarHBondContact O-CB 3.26Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.4Å; L310-L314 PolarHBondContact O-N 2.96Å
311	N	95.5	Very high	94.9	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.102	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-41	177.1	-80.2	-76.9	0	0	0	112.5	F307 L314 N315	F307-N311 WeakPolarHBondContact CD1-ND2 3.35Å; F307-N311 VanDerWaalsContact CE1-ND2 3.29Å; F307-N311 WeakPolarHBondContact CE1-ND2 3.24Å; F307-N311 WeakPolarHBondContact CZ-ND2 3.46Å; F307-N311 PolarHBondContact O-N 3.24Å; F307-N311 PolarHBondContact O-ND2 3.11Å; N311-L314 PolarHBondContact O-N 3.28Å; N311-N315 WeakPolarHBondContact O-CB 3.42Å; N311-N315 PolarHBondContact O-N 2.84Å; N311-N315 PolarHBondContact O-ND2 3.34Å
312	G	96.4	Very high	95.5	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-61.3	-46.2	174.6	0	0	0	0	0	112.7	Y308 F309 L310 N315 F316 F320	Y308-G312 PolarHBondContact O-N 2.76Å; F309-G312 PolarHBondContact O-N 3.33Å; L310-G312 PolarHBondContact O-N 3.39Å; G312-N315 PolarHBondContact O-N 3.15Å; G312-F316 PolarHBondContact O-N 3.42Å; G312-F320 WeakPolarHBondContact O-CB 3.33Å
313	V	96.9	Very high	95.9	Very high	64 Å²	64	42.4 Å²	42.4	39%	0.388	21%	0.209	S	C	.	.	H	α-helix	trans	-67.3	-38.9	176.3	172.6	0	0	0	0	111.9	F309 L310 N315 N317 F320	F309-V313 WeakPolarHBondContact O-CB 3.28Å; F309-V313 VanDerWaalsContact O-CG2 3.32Å; F309-V313 WeakPolarHBondContact O-CG2 3.33Å; F309-V313 PolarHBondContact O-N 3.47Å; L310-V313 PolarHBondContact O-N 2.94Å; V313-N315 PolarHBondContact O-N 3.42Å; V313-N317 WeakPolarHBondContact O-CA 3.19Å; V313-N317 PolarHBondContact O-N 2.71Å; V313-N317 PolarHBondContact O-OD1 2.71Å; V313-F320 HydrophobicContact CG2-CD1 3.89Å; V313-F320 HydrophobicContact CG2-CE1 4.49Å
314	L	96.4	Very high	96.1	Very high	43 Å²	43	40.5 Å²	40.5	23%	0.225	20%	0.202	C	C	.	.	H	α-helix	trans	-67.8	-34.6	177.7	-73.5	169.2	0	0	0	112.8	L310 N311 A580 F581	L310-L314 WeakPolarHBondContact O-CB 3.26Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.4Å; L310-L314 PolarHBondContact O-N 2.96Å; N311-L314 PolarHBondContact O-N 3.28Å; L314-A580 HydrophobicContact CD2-CB 3.87Å; L314-F581 HydrophobicContact CD2-CE2 3.89Å; L314-F581 HydrophobicContact CD2-CZ 4.12Å
315	N	97	Very high	96.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-94.4	-27.5	-174.7	-77.2	-47.9	0	0	0	115.4	T183 G184 N311 G312 V313 E371	T183-N315 WeakPolarHBondContact CB-OD1 3.1Å; T183-N315 WeakPolarHBondContact CG2-OD1 3.41Å; T183-N315 PolarHBondContact N-O 2.52Å; G184-N315 PolarHBondContact N-O 3.29Å; N311-N315 WeakPolarHBondContact O-CB 3.42Å; N311-N315 PolarHBondContact O-N 2.84Å; N311-N315 PolarHBondContact O-ND2 3.34Å; G312-N315 PolarHBondContact O-N 3.15Å; V313-N315 PolarHBondContact O-N 3.42Å; N315-E371 PolarHBondContact ND2-OE1 3.42Å
316	F	97.8	Very high	96.5	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-130.7	1.5	-177.9	-58.5	-86.3	0	0	0	113.5	S182 G312 L318 V319 F320 Y378 I381 C382 F423	S182-F316 VanDerWaalsContact CB-CE1 3.42Å; G312-F316 PolarHBondContact O-N 3.42Å; F316-L318 PolarHBondContact O-N 3.1Å; F316-V319 HydrophobicContact CB-CB 4.47Å; F316-V319 WeakPolarHBondContact O-CA 3.44Å; F316-V319 VanDerWaalsContact O-CB 3.28Å; F316-V319 WeakPolarHBondContact O-CB 3.33Å; F316-V319 PolarHBondContact O-N 2.8Å; F316-F320 HydrophobicContact CB-CB 4.06Å; F316-F320 PolarHBondContact O-N 3.07Å; F316-Y378 AromaticContact CE2-CD1 3.55Å; F316-Y378 HydrophobicContact CE2-CD1 3.55Å; F316-Y378 HydrophobicContact CE2-CD2 4.02Å; F316-Y378 AromaticContact CE2-CE1 3.75Å; F316-Y378 HydrophobicContact CE2-CE1 3.75Å; F316-Y378 HydrophobicContact CE2-CE2 4.21Å; F316-Y378 AromaticContact CE2-CG 3.69Å; F316-Y378 HydrophobicContact CE2-CG 3.69Å; F316-Y378 AromaticContact CZ-CD1 3.86Å; F316-Y378 HydrophobicContact CZ-CD1 3.86Å; F316-Y378 AromaticContact CZ-CD2 3.75Å; F316-Y378 HydrophobicContact CZ-CD2 3.75Å; F316-Y378 HydrophobicContact CZ-CE1 4.4Å; F316-Y378 HydrophobicContact CZ-CE2 4.32Å; F316-Y378 AromaticContact CZ-CG 3.48Å; F316-Y378 HydrophobicContact CZ-CG 3.48Å; F316-Y378 VanDerWaalsContact CZ-CG 3.48Å; F316-I381 HydrophobicContact CB-CG2 4.03Å; F316-I381 HydrophobicContact CD1-CG2 4.18Å; F316-I381 HydrophobicContact CD2-CD1 4.29Å; F316-I381 HydrophobicContact CD2-CG2 4.18Å; F316-I381 HydrophobicContact CE2-CD1 4.3Å; F316-I381 HydrophobicContact CG-CG2 3.85Å; F316-C382 VanDerWaalsContact CE1-SG 3.6Å; F316-F423 HydrophobicContact CB-CE2 4.5Å; F316-F423 VanDerWaalsContact O-CE2 3.29Å; F316-F423 WeakPolarHBondContact O-CE2 3.48Å
317	N	96.4	Very high	96.5	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.043	17%	0.17	C	C	.	.	H	α-helix	trans	52	-133.9	170.1	-57.8	-67.7	0	0	0	111.8	V313 V319 F320 F423 L426 S427 F581	V313-N317 WeakPolarHBondContact O-CA 3.19Å; V313-N317 PolarHBondContact O-N 2.71Å; V313-N317 PolarHBondContact O-OD1 2.71Å; N317-V319 PolarHBondContact O-N 3.1Å; N317-F320 WeakPolarHBondContact O-CB 3.46Å; N317-F320 PolarHBondContact O-N 3.43Å; N317-F320 VanDerWaalsContact O-N 3.15Å; N317-F423 HydrophobicContact CB-CD2 4.4Å; N317-L426 HydrophobicContact CB-CB 4.3Å; N317-L426 HydrophobicContact CB-CD1 4.05Å; N317-S427 PolarHBondContact ND2-N 3.08Å; N317-S427 PolarHBondContact ND2-OG 3.36Å; N317-F581 WeakPolarHBondContact OD1-CE1 3.25Å; N317-F581 WeakPolarHBondContact OD1-CZ 3.5Å
318	L	96.1	Very high	96.4	Very high	49 Å²	49	35.1 Å²	35.1	26%	0.257	19%	0.186	S	C	.	.	H	α-helix	trans	-56.8	-23.7	172.6	61.7	91.9	0	0	0	114.9	F316 F320 V321 L322 T419 A422 F423	F316-L318 PolarHBondContact O-N 3.1Å; L318-F320 VanDerWaalsContact C-N 3.35Å; L318-V321 PolarHBondContact O-N 3.3Å; L318-L322 HydrophobicContact CD1-CD1 4.05Å; L318-L322 WeakPolarHBondContact O-CG 3.27Å; L318-L322 PolarHBondContact O-N 2.93Å; L318-T419 HydrophobicContact CD1-CG2 3.65Å; L318-A422 HydrophobicContact CD2-CB 3.77Å; L318-F423 HydrophobicContact CD1-CB 4.35Å; L318-F423 HydrophobicContact CD2-CB 4.42Å; L318-F423 HydrophobicContact CG-CB 4.44Å
319	V	97.8	Very high	96.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-73.8	-29.1	178.4	177	0	0	0	0	110.8	F178 F316 N317 A323 F423	F178-V319 HydrophobicContact CB-CG1 4.46Å; F178-V319 HydrophobicContact CD1-CG2 3.71Å; F178-V319 HydrophobicContact CD2-CG1 3.72Å; F178-V319 HydrophobicContact CD2-CG2 4.06Å; F178-V319 HydrophobicContact CE1-CG2 3.55Å; F178-V319 HydrophobicContact CE2-CG1 4.03Å; F178-V319 HydrophobicContact CE2-CG2 3.91Å; F178-V319 HydrophobicContact CG-CG1 4.04Å; F178-V319 HydrophobicContact CG-CG2 3.97Å; F178-V319 HydrophobicContact CZ-CG2 3.66Å; F316-V319 HydrophobicContact CB-CB 4.47Å; F316-V319 WeakPolarHBondContact O-CA 3.44Å; F316-V319 VanDerWaalsContact O-CB 3.28Å; F316-V319 WeakPolarHBondContact O-CB 3.33Å; F316-V319 PolarHBondContact O-N 2.8Å; N317-V319 PolarHBondContact O-N 3.1Å; V319-A323 VanDerWaalsContact O-CB 3.26Å; V319-A323 WeakPolarHBondContact O-CB 3.44Å; V319-A323 PolarHBondContact O-N 3.14Å; V319-F423 HydrophobicContact CB-CD2 3.94Å; V319-F423 HydrophobicContact CB-CE2 3.77Å; V319-F423 HydrophobicContact CG2-CB 4.41Å; V319-F423 HydrophobicContact CG2-CD2 3.28Å; V319-F423 HydrophobicContact CG2-CE2 3.53Å; V319-F423 HydrophobicContact CG2-CG 3.89Å; V319-F423 HydrophobicContact CG2-CZ 4.34Å
320	F	98.1	Very high	96	Very high	2 Å²	2	33 Å²	33	1%	0.009	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-46.4	169.3	-174	-115.2	0	0	0	111.6	F309 G312 V313 F316 N317 L318 A323 L324 M360 F364 I381	F309-F320 AromaticContact CD1-CE1 3.97Å; F309-F320 HydrophobicContact CD1-CE1 3.97Å; F309-F320 HydrophobicContact CD1-CZ 4.39Å; G312-F320 WeakPolarHBondContact O-CB 3.33Å; V313-F320 HydrophobicContact CG2-CD1 3.89Å; V313-F320 HydrophobicContact CG2-CE1 4.49Å; F316-F320 HydrophobicContact CB-CB 4.06Å; F316-F320 PolarHBondContact O-N 3.07Å; N317-F320 WeakPolarHBondContact O-CB 3.46Å; N317-F320 PolarHBondContact O-N 3.43Å; N317-F320 VanDerWaalsContact O-N 3.15Å; L318-F320 VanDerWaalsContact C-N 3.35Å; F320-A323 WeakPolarHBondContact O-CB 3.21Å; F320-A323 PolarHBondContact O-N 2.67Å; F320-L324 HydrophobicContact CD1-CD1 4.09Å; F320-L324 HydrophobicContact CE1-CD1 3.75Å; F320-L324 HydrophobicContact CE1-CG 4.43Å; F320-L324 HydrophobicContact CZ-CD1 4.15Å; F320-L324 HydrophobicContact CZ-CD2 4.45Å; F320-L324 HydrophobicContact CZ-CG 4.45Å; F320-L324 WeakPolarHBondContact O-CG 3.34Å; F320-L324 PolarHBondContact O-N 2.92Å; F320-M360 HydrophobicContact CD2-CE 4.5Å; F320-M360 HydrophobicContact CE2-CE 3.73Å; F320-M360 HydrophobicContact CZ-CE 4.49Å; F320-F364 HydrophobicContact CZ-CZ 4.32Å; F320-I381 HydrophobicContact CD2-CD1 4.2Å; F320-I381 HydrophobicContact CD2-CG2 4.24Å; F320-I381 HydrophobicContact CE2-CD1 4.33Å
321	V	97.3	Very high	95.8	Very high	66 Å²	66	30.6 Å²	30.6	40%	0.4	17%	0.173	S	C	.	.	H	α-helix	trans	-61.8	-46.8	177.9	-176.1	0	0	0	0	110.5	L318 A323 L324 F325	L318-V321 PolarHBondContact O-N 3.3Å; V321-A323 VanDerWaalsContact C-N 3.33Å; V321-A323 PolarHBondContact O-N 2.94Å; V321-L324 PolarHBondContact O-N 2.89Å; V321-F325 HydrophobicContact CG1-CD2 3.97Å; V321-F325 HydrophobicContact CG1-CE2 4Å; V321-F325 VanDerWaalsContact O-CD2 3.29Å; V321-F325 WeakPolarHBondContact O-CD2 3.49Å; V321-F325 PolarHBondContact O-N 3.06Å
322	L	97.6	Very high	95.5	Very high	26 Å²	26	33.8 Å²	33.8	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-42	173.8	-73.6	169.2	0	0	0	112.2	L318 F325 S326 A388 L389 T419	L318-L322 HydrophobicContact CD1-CD1 4.05Å; L318-L322 WeakPolarHBondContact O-CG 3.27Å; L318-L322 PolarHBondContact O-N 2.93Å; L322-F325 CarbonylContact O-C 3.53Å; L322-F325 PolarHBondContact O-N 3.11Å; L322-S326 PolarHBondContact O-N 2.71Å; L322-A388 HydrophobicContact CB-CB 4Å; L322-A388 HydrophobicContact CD2-CB 4.39Å; L322-A388 WeakPolarHBondContact O-CB 3.39Å; L322-L389 HydrophobicContact CD1-CB 4.41Å; L322-L389 HydrophobicContact CD1-CD1 4.47Å; L322-T419 HydrophobicContact CD1-CG2 4.19Å
323	A	97.8	Very high	95	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-46	178.1	0	0	0	0	0	112.2	V319 F320 V321 F325 S326 M356 Y357 I381	V319-A323 VanDerWaalsContact O-CB 3.26Å; V319-A323 WeakPolarHBondContact O-CB 3.44Å; V319-A323 PolarHBondContact O-N 3.14Å; F320-A323 WeakPolarHBondContact O-CB 3.21Å; F320-A323 PolarHBondContact O-N 2.67Å; V321-A323 VanDerWaalsContact C-N 3.33Å; V321-A323 PolarHBondContact O-N 2.94Å; A323-F325 VanDerWaalsContact C-N 3.32Å; A323-F325 PolarHBondContact O-N 3.32Å; A323-S326 VanDerWaalsContact O-CB 3.27Å; A323-S326 WeakPolarHBondContact O-CB 3.25Å; A323-S326 PolarHBondContact O-N 2.72Å; A323-S326 VanDerWaalsContact O-N 3.13Å; A323-S326 PolarHBondContact O-OG 2.97Å; A323-M356 HydrophobicContact CB-CE 4.24Å; A323-M356 HydrophobicContact CB-SD 4.07Å; A323-Y357 PolarHBondContact O-OH 3.25Å; A323-I381 HydrophobicContact CB-CB 4.49Å; A323-I381 HydrophobicContact CB-CG2 3.93Å
324	L	97.1	Very high	94.4	Very high	49 Å²	49	34 Å²	34	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-58.8	-42.1	175.9	-67.8	174	0	0	0	112	F309 F320 V321 S326 Y357 M360	F309-L324 HydrophobicContact CD1-CD1 4.31Å; F309-L324 HydrophobicContact CE1-CD1 4.02Å; F320-L324 HydrophobicContact CD1-CD1 4.09Å; F320-L324 HydrophobicContact CE1-CD1 3.75Å; F320-L324 HydrophobicContact CE1-CG 4.43Å; F320-L324 HydrophobicContact CZ-CD1 4.15Å; F320-L324 HydrophobicContact CZ-CD2 4.45Å; F320-L324 HydrophobicContact CZ-CG 4.45Å; F320-L324 WeakPolarHBondContact O-CG 3.34Å; F320-L324 PolarHBondContact O-N 2.92Å; V321-L324 PolarHBondContact O-N 2.89Å; L324-S326 VanDerWaalsContact C-N 3.3Å; L324-S326 PolarHBondContact O-N 3.4Å; L324-Y357 WeakPolarHBondContact O-CE1 3.47Å; L324-Y357 PolarHBondContact O-OH 2.95Å; L324-M360 HydrophobicContact CD2-CE 4.34Å; L324-M360 HydrophobicContact CD2-SD 3.72Å
325	F	96.6	Very high	93.8	Very high	117 Å²	117	36.3 Å²	36.3	51%	0.513	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	5.1	177.8	-72.6	-68.4	0	0	0	114.9	V321 L322 A323 L327 P328 L329	V321-F325 HydrophobicContact CG1-CD2 3.97Å; V321-F325 HydrophobicContact CG1-CE2 4Å; V321-F325 VanDerWaalsContact O-CD2 3.29Å; V321-F325 WeakPolarHBondContact O-CD2 3.49Å; V321-F325 PolarHBondContact O-N 3.06Å; L322-F325 CarbonylContact O-C 3.53Å; L322-F325 PolarHBondContact O-N 3.11Å; A323-F325 VanDerWaalsContact C-N 3.32Å; A323-F325 PolarHBondContact O-N 3.32Å; F325-L327 PolarHBondContact O-N 3.47Å; F325-P328 HydrophobicContact CD1-CG 4.5Å; F325-P328 WeakPolarHBondContact O-CD 3.4Å; F325-L329 HydrophobicContact CB-CD1 3.96Å; F325-L329 HydrophobicContact CB-CG 4.35Å; F325-L329 WeakPolarHBondContact O-CB 3.35Å; F325-L329 VanDerWaalsContact O-CG 3.29Å; F325-L329 WeakPolarHBondContact O-CG 3.29Å; F325-L329 PolarHBondContact O-N 3.1Å
326	S	95.6	Very high	93	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-43.4	-173.9	70.9	0	0	0	0	113.5	L322 A323 L324 L329 T330 Y357 S384	L322-S326 PolarHBondContact O-N 2.71Å; A323-S326 VanDerWaalsContact O-CB 3.27Å; A323-S326 WeakPolarHBondContact O-CB 3.25Å; A323-S326 PolarHBondContact O-N 2.72Å; A323-S326 VanDerWaalsContact O-N 3.13Å; A323-S326 PolarHBondContact O-OG 2.97Å; L324-S326 VanDerWaalsContact C-N 3.3Å; L324-S326 PolarHBondContact O-N 3.4Å; S326-L329 PolarHBondContact O-N 3.11Å; S326-T330 WeakPolarHBondContact O-CG2 3.3Å; S326-T330 PolarHBondContact O-N 3.18Å; S326-T330 PolarHBondContact O-OG1 3.19Å; S326-T330 VanDerWaalsContact O-OG1 3.13Å; S326-Y357 PolarHBondContact N-OH 2.85Å; S326-Y357 PolarHBondContact OG-OH 3.38Å; S326-S384 VanDerWaalsContact CB-O 3.27Å; S326-S384 WeakPolarHBondContact CB-O 3.44Å
327	L	93.5	Very high	91.9	Very high	42 Å²	42	40.3 Å²	40.3	22%	0.22	22%	0.223	C	C	.	.	H	α-helix	trans	-67.3	-49.6	178.3	-67.3	180	0	0	0	114	F325 L329 T330 A331 W350 L353 Y357	F325-L327 PolarHBondContact O-N 3.47Å; L327-L329 VanDerWaalsContact C-N 3.28Å; L327-L329 PolarHBondContact O-N 2.83Å; L327-T330 WeakPolarHBondContact CA-OG1 3.42Å; L327-T330 PolarHBondContact O-N 2.98Å; L327-T330 PolarHBondContact O-OG1 2.88Å; L327-A331 WeakPolarHBondContact O-CB 3.47Å; L327-A331 PolarHBondContact O-N 3.35Å; L327-W350 HydrophobicContact CD2-CB 4.33Å; L327-L353 HydrophobicContact CD2-CB 4.18Å; L327-L353 HydrophobicContact CD2-CD1 4.08Å; L327-Y357 HydrophobicContact CB-CE2 4.5Å; L327-Y357 HydrophobicContact CD1-CD2 3.72Å; L327-Y357 HydrophobicContact CD1-CE1 4.45Å; L327-Y357 HydrophobicContact CD1-CE2 3.5Å; L327-Y357 VanDerWaalsContact CD1-CE2 3.5Å; L327-Y357 HydrophobicContact CD1-CG 4.29Å; L327-Y357 HydrophobicContact CG-CD2 4.26Å; L327-Y357 HydrophobicContact CG-CE2 3.53Å; L327-Y357 PolarHBondContact N-OH 3.32Å
328	P	94.3	Very high	90.5	Very high	75 Å²	75	47.1 Å²	47.1	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-52.9	-42	169.5	-29.4	35	0	0	0	113.7	F325 A331 L332	F325-P328 HydrophobicContact CD1-CG 4.5Å; F325-P328 WeakPolarHBondContact O-CD 3.4Å; P328-A331 PolarHBondContact O-N 3.01Å; P328-L332 WeakPolarHBondContact O-CB 3.36Å; P328-L332 PolarHBondContact O-N 3.16Å
329	L	92.4	Very high	88.6	Confident	27 Å²	27	54 Å²	54	14%	0.141	28%	0.277	C	S	.	.	H	α-helix	trans	-71.4	-35.6	179.7	-71.6	169.3	0	0	0	112.8	F325 S326 L327 M333 A388 L392	F325-L329 HydrophobicContact CB-CD1 3.96Å; F325-L329 HydrophobicContact CB-CG 4.35Å; F325-L329 WeakPolarHBondContact O-CB 3.35Å; F325-L329 VanDerWaalsContact O-CG 3.29Å; F325-L329 WeakPolarHBondContact O-CG 3.29Å; F325-L329 PolarHBondContact O-N 3.1Å; S326-L329 PolarHBondContact O-N 3.11Å; L327-L329 VanDerWaalsContact C-N 3.28Å; L327-L329 PolarHBondContact O-N 2.83Å; L329-M333 VanDerWaalsContact O-CB 3.26Å; L329-M333 WeakPolarHBondContact O-CB 3.4Å; L329-M333 PolarHBondContact O-N 3.08Å; L329-A388 HydrophobicContact CD1-CB 3.93Å; L329-L392 HydrophobicContact CD2-CD1 4.24Å
330	T	90.6	Very high	86.3	Confident	4 Å²	4	61.2 Å²	61.2	3%	0.025	31%	0.308	C	S	.	.	H	α-helix	trans	-67.8	-40.1	171.6	50.1	0	0	0	0	111.9	S326 L327 M333 E334 Y349 V387	S326-T330 WeakPolarHBondContact O-CG2 3.3Å; S326-T330 PolarHBondContact O-N 3.18Å; S326-T330 PolarHBondContact O-OG1 3.19Å; S326-T330 VanDerWaalsContact O-OG1 3.13Å; L327-T330 WeakPolarHBondContact CA-OG1 3.42Å; L327-T330 PolarHBondContact O-N 2.98Å; L327-T330 PolarHBondContact O-OG1 2.88Å; T330-M333 WeakPolarHBondContact O-CB 3.4Å; T330-M333 PolarHBondContact O-N 3.19Å; T330-E334 WeakPolarHBondContact O-CB 3.41Å; T330-E334 WeakPolarHBondContact O-CG 3.49Å; T330-E334 PolarHBondContact O-N 3.37Å; T330-Y349 HydrophobicContact CG2-CD1 3.68Å; T330-Y349 HydrophobicContact CG2-CD2 4.42Å; T330-Y349 HydrophobicContact CG2-CE1 4.22Å; T330-Y349 HydrophobicContact CG2-CG 3.78Å; T330-V387 HydrophobicContact CG2-CG1 3.56Å
331	A	89.8	Confident	83.7	Confident	48 Å²	48	67.8 Å²	67.8	40%	0.397	34%	0.343	S	S	.	.	H	α-helix	trans	-67.7	-38.6	177.7	0	0	0	0	0	112.3	L327 P328 E334 T335	L327-A331 WeakPolarHBondContact O-CB 3.47Å; L327-A331 PolarHBondContact O-N 3.35Å; P328-A331 PolarHBondContact O-N 3.01Å; A331-E334 PolarHBondContact O-N 3.45Å; A331-T335 WeakPolarHBondContact O-CG2 3.28Å; A331-T335 PolarHBondContact O-N 3.2Å; A331-T335 PolarHBondContact O-OG1 3.47Å
332	L	89.3	Confident	81.5	Confident	86 Å²	86	69.1 Å²	69.1	45%	0.45	35%	0.352	S	S	.	.	H	α-helix	trans	-63.4	-44.6	171.4	179.4	61	0	0	0	111.3	P328 T335 L336	P328-L332 WeakPolarHBondContact O-CB 3.36Å; P328-L332 PolarHBondContact O-N 3.16Å; L332-T335 PolarHBondContact O-N 3.43Å; L332-T335 PolarHBondContact O-OG1 3.1Å; L332-T335 VanDerWaalsContact O-OG1 3.07Å; L332-L336 HydrophobicContact CD1-CD1 4.19Å; L332-L336 HydrophobicContact CD1-CG 4.37Å; L332-L336 HydrophobicContact CG-CD1 4.2Å; L332-L336 VanDerWaalsContact O-CG 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.41Å; L332-L336 PolarHBondContact O-N 2.81Å; L332-L336 VanDerWaalsContact O-N 3.1Å
333	M	86.8	Confident	78.9	Confident	10 Å²	10	75.5 Å²	75.5	5%	0.049	38%	0.38	C	S	.	.	H	α-helix	trans	-60.7	-45.3	175.5	-179.7	-151.4	67.9	0	0	111.4	L329 T330 L336 L337 Y349 S391 K394	L329-M333 VanDerWaalsContact O-CB 3.26Å; L329-M333 WeakPolarHBondContact O-CB 3.4Å; L329-M333 PolarHBondContact O-N 3.08Å; T330-M333 WeakPolarHBondContact O-CB 3.4Å; T330-M333 PolarHBondContact O-N 3.19Å; M333-L336 PolarHBondContact O-N 3.48Å; M333-L337 HydrophobicContact CG-CD1 3.79Å; M333-L337 HydrophobicContact CG-CG 4.49Å; M333-L337 WeakPolarHBondContact O-CB 3.36Å; M333-L337 VanDerWaalsContact O-CG 3.27Å; M333-L337 WeakPolarHBondContact O-CG 3.19Å; M333-L337 PolarHBondContact O-N 3.33Å; M333-L337 HydrophobicContact SD-CD1 4.33Å; M333-Y349 HydrophobicContact CE-CE2 4.24Å; M333-S391 PolarHBondContact SD-OG 2.92Å; M333-K394 HydrophobicContact CG-CB 4.21Å; M333-K394 HydrophobicContact CG-CD 4.05Å; M333-K394 HydrophobicContact SD-CD 3.41Å; M333-K394 WeakPolarHBondContact SD-CD 3.45Å
334	E	84.8	Confident	76.5	Confident	60 Å²	60	81.1 Å²	81.1	28%	0.28	41%	0.41	S	S	.	.	H	α-helix	trans	-63.2	-47.1	177.9	-76.2	176.3	168.8	0	0	111.8	T330 A331 L336 L337 H338 Y349	T330-E334 WeakPolarHBondContact O-CB 3.41Å; T330-E334 WeakPolarHBondContact O-CG 3.49Å; T330-E334 PolarHBondContact O-N 3.37Å; A331-E334 PolarHBondContact O-N 3.45Å; E334-L336 VanDerWaalsContact C-N 3.29Å; E334-L336 PolarHBondContact O-N 3.06Å; E334-L337 PolarHBondContact O-N 2.65Å; E334-H338 VanDerWaalsContact O-CB 3.25Å; E334-H338 WeakPolarHBondContact O-CB 3.4Å; E334-H338 PolarHBondContact O-N 3.1Å; E334-Y349 WeakPolarHBondContact OE1-CD2 3.26Å
335	T	83.9	Confident	74.2	Confident	93 Å²	93	86.1 Å²	86.1	57%	0.571	44%	0.437	S	S	*	.	H	α-helix	trans	-65.3	-28.9	179	50.7	0	0	0	0	113.6	A331 L332	A331-T335 WeakPolarHBondContact O-CG2 3.28Å; A331-T335 PolarHBondContact O-N 3.2Å; A331-T335 PolarHBondContact O-OG1 3.47Å; L332-T335 PolarHBondContact O-N 3.43Å; L332-T335 PolarHBondContact O-OG1 3.1Å; L332-T335 VanDerWaalsContact O-OG1 3.07Å
336	L	80.3	Confident	72.7	Confident	24 Å²	24	83.3 Å²	83.3	13%	0.126	44%	0.44	C	S	.	.	H	α-helix	trans	-73.5	-42.7	171.3	-67.2	171.9	0	0	0	112.1	L332 M333 E334 C395 F398	L332-L336 HydrophobicContact CD1-CD1 4.19Å; L332-L336 HydrophobicContact CD1-CG 4.37Å; L332-L336 HydrophobicContact CG-CD1 4.2Å; L332-L336 VanDerWaalsContact O-CG 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.41Å; L332-L336 PolarHBondContact O-N 2.81Å; L332-L336 VanDerWaalsContact O-N 3.1Å; M333-L336 PolarHBondContact O-N 3.48Å; E334-L336 VanDerWaalsContact C-N 3.29Å; E334-L336 PolarHBondContact O-N 3.06Å; L336-C395 HydrophobicContact CD1-CB 4.22Å; L336-F398 HydrophobicContact CB-CD1 4.11Å; L336-F398 HydrophobicContact CB-CE1 4.12Å; L336-F398 HydrophobicContact CD1-CD1 4.34Å; L336-F398 HydrophobicContact CD2-CD1 4.15Å; L336-F398 HydrophobicContact CD2-CE1 3.89Å; L336-F398 HydrophobicContact CG-CD1 4.43Å; L336-F398 HydrophobicContact CG-CE1 4.49Å
337	L	74	Confident	71.8	Confident	60 Å²	60	85.3 Å²	85.3	31%	0.314	45%	0.448	S	S	.	.	H	α-helix	trans	-80.4	-25.7	-177.1	-67.6	176.4	0	0	0	114.4	M333 E334 R339 F340	M333-L337 HydrophobicContact CG-CD1 3.79Å; M333-L337 HydrophobicContact CG-CG 4.49Å; M333-L337 WeakPolarHBondContact O-CB 3.36Å; M333-L337 VanDerWaalsContact O-CG 3.27Å; M333-L337 WeakPolarHBondContact O-CG 3.19Å; M333-L337 PolarHBondContact O-N 3.33Å; M333-L337 HydrophobicContact SD-CD1 4.33Å; E334-L337 PolarHBondContact O-N 2.65Å; L337-R339 PolarHBondContact O-N 3.28Å; L337-F340 PolarHBondContact O-N 2.87Å
338	H	66.1	Low	71.4	Confident	151 Å²	151	85.5 Å²	85.5	70%	0.699	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-60.3	-20.6	179.5	-167.4	-56.9	0	0	0	112.4	E334 F340 N341	E334-H338 VanDerWaalsContact O-CB 3.25Å; E334-H338 WeakPolarHBondContact O-CB 3.4Å; E334-H338 PolarHBondContact O-N 3.1Å; H338-F340 PolarHBondContact O-N 3.11Å; H338-F340 VanDerWaalsContact O-N 3.07Å; H338-N341 PolarHBondContact O-N 3.36Å
339	R	57.6	Low	71.1	Confident	195 Å²	195	84.2 Å²	84.2	74%	0.736	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-59.4	-14.5	170.1	-58.8	-169.7	-170.1	-136.9	6.1	114	L337	L337-R339 PolarHBondContact O-N 3.28Å
340	F	48.9	Very low	71	Confident	151 Å²	151	89.9 Å²	89.9	66%	0.662	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-123.9	19.5	-176.7	-68.8	-82	0	0	0	114	L337 H338 V342 F398	L337-F340 PolarHBondContact O-N 2.87Å; H338-F340 PolarHBondContact O-N 3.11Å; H338-F340 VanDerWaalsContact O-N 3.07Å; F340-V342 VanDerWaalsContact C-N 3.34Å; F340-V342 PolarHBondContact O-N 2.89Å; F340-F398 HydrophobicContact CD2-CE2 4.34Å; F340-F398 AromaticContact CE2-CE2 3.97Å; F340-F398 HydrophobicContact CE2-CE2 3.97Å; F340-F398 HydrophobicContact CE2-CZ 4.43Å
341	N	42.7	Very low	71.2	Confident	139 Å²	139	89.8 Å²	89.8	74%	0.743	46%	0.457	S	S	*	.			trans	52.1	41.8	167.2	-159.8	22.1	0	0	0	115.5	H338 Q343	H338-N341 PolarHBondContact O-N 3.36Å; N341-Q343 PolarHBondContact O-N 3.15Å
342	V	51.2	Low	71.3	Confident	95 Å²	95	87.5 Å²	87.5	58%	0.576	44%	0.438	S	S	*	.			trans	-71.9	118.2	176.6	-177	0	0	0	0	109.5	F340 N344	F340-V342 VanDerWaalsContact C-N 3.34Å; F340-V342 PolarHBondContact O-N 2.89Å; V342-N344 PolarHBondContact O-N 2.96Å
343	Q	43.5	Very low	71.6	Confident	159 Å²	159	83.6 Å²	83.6	74%	0.743	42%	0.417	S	S	*	.			trans	-68.3	119.8	178.2	-65.8	-177.3	-14.1	0	0	111.2	N341 L345	N341-Q343 PolarHBondContact O-N 3.15Å; Q343-L345 HydrophobicContact CB-CD1 3.52Å; Q343-L345 WeakPolarHBondContact O-CD1 3.47Å; Q343-L345 PolarHBondContact O-N 3.2Å
344	N	48.4	Very low	72	Confident	118 Å²	118	84.3 Å²	84.3	63%	0.631	42%	0.424	S	S	*	.			trans	-77.6	85.7	174.8	-81.4	-24.7	0	0	0	110.9	V342 G346	V342-N344 PolarHBondContact O-N 2.96Å; N344-G346 PolarHBondContact O-N 3.31Å
345	L	48.2	Very low	72.6	Confident	155 Å²	155	81.5 Å²	81.5	81%	0.812	41%	0.411	S	S	*	.			trans	-73.3	47.8	177.8	-87.2	75.4	0	0	0	113.5	Q343	Q343-L345 HydrophobicContact CB-CD1 3.52Å; Q343-L345 WeakPolarHBondContact O-CD1 3.47Å; Q343-L345 PolarHBondContact O-N 3.2Å
346	G	64.4	Low	73.3	Confident	57 Å²	57	77.1 Å²	77.1	59%	0.588	38%	0.384	S	S	*	.	S	Bend	trans	-179.8	-177.4	178.8	0	0	0	0	0	115.6	N344	N344-G346 PolarHBondContact O-N 3.31Å
347	R	77.1	Confident	74.1	Confident	42 Å²	42	78.5 Å²	78.5	16%	0.158	39%	0.388	C	S	.	.			trans	-60.4	141	174.7	-67.8	-173	-173.2	97.6	19.2	111.2	W209 D212 D242 T352	W209-R347 VanDerWaalsContact CD1-CZ 3.43Å; W209-R347 PolarHBondContact O-NH1 3.34Å; D212-R347 IonicContact OD1-CZ 3.92Å; D212-R347 IonicContact OD1-NH1 2.75Å; D212-R347 IonicContact OD1-NH2 2.85Å; D212-R347 PolarHBondContact OD1-NH2 3Å; D242-R347 WeakPolarHBondContact OD1-CD 3.46Å; D242-R347 IonicContact OD1-CZ 3.6Å; D242-R347 IonicContact OD1-NE 3.49Å; D242-R347 PolarHBondContact OD1-NE 3.45Å; D242-R347 IonicContact OD1-NH2 3.51Å; D242-R347 IonicContact OD2-CZ 2.95Å; D242-R347 IonicContact OD2-NE 3.14Å; D242-R347 PolarHBondContact OD2-NE 2.92Å; D242-R347 IonicContact OD2-NH2 2.9Å; D242-R347 PolarHBondContact OD2-NH2 2.96Å; R347-T352 HydrophobicContact CB-CG2 3.49Å; R347-T352 VanDerWaalsContact CB-CG2 3.49Å; R347-T352 HydrophobicContact CG-CG2 4.48Å
348	P	86.2	Confident	75.2	Confident	47 Å²	47	77.6 Å²	77.6	31%	0.305	38%	0.383	S	S	.	.			trans	-69.2	148.7	-179.6	30.4	-36.4	0	0	0	111.9	W350 L351 T352	P348-W350 VanDerWaalsContact C-N 3.29Å; P348-W350 HydrophobicContact CB-CG 4.42Å; P348-W350 HydrophobicContact CG-CD2 4.38Å; P348-W350 HydrophobicContact CG-CG 4.48Å; P348-W350 HydrophobicContact CG-CZ2 4.06Å; P348-W350 PolarHBondContact O-N 3.37Å; P348-L351 HydrophobicContact CG-CB 4.08Å; P348-L351 PolarHBondContact O-N 2.82Å; P348-L351 VanDerWaalsContact O-N 3.15Å; P348-T352 WeakPolarHBondContact O-CG2 3.37Å; P348-T352 PolarHBondContact O-N 2.65Å
349	Y	87.1	Confident	76.7	Confident	47 Å²	47	70.4 Å²	70.4	18%	0.184	35%	0.349	C	S	.	.	H	α-helix	trans	-56.2	-41.6	-175.3	-74.3	-89.9	0	0	0	112.8	F167 T330 M333 E334 L351 T352 L353 V387	F167-Y349 HydrophobicContact CD1-CD1 4.4Å; F167-Y349 AromaticContact CD1-CE1 3.78Å; F167-Y349 HydrophobicContact CD1-CE1 3.78Å; F167-Y349 HydrophobicContact CE1-CD1 4.03Å; F167-Y349 AromaticContact CE1-CE1 3.88Å; F167-Y349 HydrophobicContact CE1-CE1 3.88Å; T330-Y349 HydrophobicContact CG2-CD1 3.68Å; T330-Y349 HydrophobicContact CG2-CD2 4.42Å; T330-Y349 HydrophobicContact CG2-CE1 4.22Å; T330-Y349 HydrophobicContact CG2-CG 3.78Å; M333-Y349 HydrophobicContact CE-CE2 4.24Å; E334-Y349 WeakPolarHBondContact OE1-CD2 3.26Å; Y349-L351 VanDerWaalsContact C-N 3.3Å; Y349-L351 PolarHBondContact O-N 3.44Å; Y349-T352 PolarHBondContact O-N 3.34Å; Y349-T352 VanDerWaalsContact O-N 3.09Å; Y349-T352 PolarHBondContact O-OG1 3.29Å; Y349-T352 VanDerWaalsContact O-OG1 3.09Å; Y349-L353 PolarHBondContact O-N 3.35Å; Y349-V387 HydrophobicContact CD1-CG1 3.81Å; Y349-V387 HydrophobicContact CE1-CG1 3.78Å
350	W	90.7	Very high	78.5	Confident	146 Å²	146	61.8 Å²	61.8	55%	0.553	32%	0.318	S	S	*	.	H	α-helix	trans	-51.4	-47.1	177.9	69.9	-104.2	0	0	0	112.6	F241 L327 P348 S354	F241-W350 HydrophobicContact CE1-CH2 4.15Å; L327-W350 HydrophobicContact CD2-CB 4.33Å; P348-W350 VanDerWaalsContact C-N 3.29Å; P348-W350 HydrophobicContact CB-CG 4.42Å; P348-W350 HydrophobicContact CG-CD2 4.38Å; P348-W350 HydrophobicContact CG-CG 4.48Å; P348-W350 HydrophobicContact CG-CZ2 4.06Å; P348-W350 PolarHBondContact O-N 3.37Å; W350-S354 VanDerWaalsContact O-CB 3.23Å; W350-S354 WeakPolarHBondContact O-CB 3.25Å; W350-S354 PolarHBondContact O-N 3.17Å; W350-S354 VanDerWaalsContact O-N 3.11Å
351	L	93.4	Very high	80.6	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-67.8	-45.8	179.5	179.2	61.9	0	0	0	110.7	W209 P238 F241 D242 I246 P348 Y349 L353 S354	W209-L351 HydrophobicContact CH2-CD1 4.47Å; W209-L351 HydrophobicContact CH2-CG 4.1Å; W209-L351 HydrophobicContact CZ2-CD1 4.45Å; W209-L351 HydrophobicContact CZ2-CD2 4.39Å; W209-L351 HydrophobicContact CZ2-CG 4.04Å; P238-L351 HydrophobicContact CB-CD1 4.14Å; F241-L351 HydrophobicContact CD1-CD1 3.94Å; D242-L351 HydrophobicContact CB-CD2 4.22Å; I246-L351 HydrophobicContact CD1-CD2 3.52Å; P348-L351 HydrophobicContact CG-CB 4.08Å; P348-L351 PolarHBondContact O-N 2.82Å; P348-L351 VanDerWaalsContact O-N 3.15Å; Y349-L351 VanDerWaalsContact C-N 3.3Å; Y349-L351 PolarHBondContact O-N 3.44Å; L351-L353 PolarHBondContact O-N 2.81Å; L351-S354 PolarHBondContact O-N 3.11Å; L351-S354 PolarHBondContact O-OG 3.28Å
352	T	92.7	Very high	83.1	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-73.9	-23.3	-171.2	65.5	0	0	0	0	115.1	R347 P348 Y349	R347-T352 HydrophobicContact CB-CG2 3.49Å; R347-T352 VanDerWaalsContact CB-CG2 3.49Å; R347-T352 HydrophobicContact CG-CG2 4.48Å; P348-T352 WeakPolarHBondContact O-CG2 3.37Å; P348-T352 PolarHBondContact O-N 2.65Å; Y349-T352 PolarHBondContact O-N 3.34Å; Y349-T352 VanDerWaalsContact O-N 3.09Å; Y349-T352 PolarHBondContact O-OG1 3.29Å; Y349-T352 VanDerWaalsContact O-OG1 3.09Å
353	L	95.2	Very high	85.1	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-99.7	-15.3	176.2	-56.8	178.7	0	0	0	112.3	L327 Y349 L351 P355 M356 Y357 L383 V387	L327-L353 HydrophobicContact CD2-CB 4.18Å; L327-L353 HydrophobicContact CD2-CD1 4.08Å; Y349-L353 PolarHBondContact O-N 3.35Å; L351-L353 PolarHBondContact O-N 2.81Å; L353-P355 VanDerWaalsContact C-N 3.32Å; L353-P355 WeakPolarHBondContact O-CD 3.41Å; L353-P355 VanDerWaalsContact O-N 3.13Å; L353-M356 PolarHBondContact O-N 1.82Å; L353-Y357 HydrophobicContact CB-CE2 4.36Å; L353-L383 HydrophobicContact CD2-CD2 4.23Å; L353-L383 HydrophobicContact CD2-CG 4.18Å; L353-V387 HydrophobicContact CD1-CB 4.43Å; L353-V387 HydrophobicContact CD1-CG1 4.12Å; L353-V387 HydrophobicContact CD2-CG2 4.44Å
354	S	96.3	Very high	87.4	Confident	26 Å²	26	46.7 Å²	46.7	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-51.8	-31	-179.3	65.5	0	0	0	0	116.7	P238 W350 L351 M356 Y357 L358	P238-S354 VanDerWaalsContact CB-OG 3.24Å; P238-S354 WeakPolarHBondContact CB-OG 3.47Å; P238-S354 WeakPolarHBondContact CG-OG 3.41Å; W350-S354 VanDerWaalsContact O-CB 3.23Å; W350-S354 WeakPolarHBondContact O-CB 3.25Å; W350-S354 PolarHBondContact O-N 3.17Å; W350-S354 VanDerWaalsContact O-N 3.11Å; L351-S354 PolarHBondContact O-N 3.11Å; L351-S354 PolarHBondContact O-OG 3.28Å; S354-M356 PolarHBondContact O-N 2.87Å; S354-Y357 PolarHBondContact O-N 2.88Å; S354-Y357 VanDerWaalsContact O-N 3.13Å; S354-L358 VanDerWaalsContact O-CB 3.3Å; S354-L358 WeakPolarHBondContact O-CB 3.41Å; S354-L358 PolarHBondContact O-N 3.45Å
355	P	97.4	Very high	89.5	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-32.2	180	-22.8	32.5	0	0	0	113.8	M206 W209 I235 P238 L353 W359 L380	M206-P355 HydrophobicContact CE-CG 3.96Å; M206-P355 HydrophobicContact SD-CG 4.14Å; W209-P355 HydrophobicContact CZ3-CG 4.3Å; I235-P355 HydrophobicContact CG2-CB 3.91Å; P238-P355 HydrophobicContact CB-CG 4.09Å; P238-P355 HydrophobicContact CG-CB 4.45Å; P238-P355 HydrophobicContact CG-CG 3.86Å; L353-P355 VanDerWaalsContact C-N 3.32Å; L353-P355 WeakPolarHBondContact O-CD 3.41Å; L353-P355 VanDerWaalsContact O-N 3.13Å; P355-W359 WeakPolarHBondContact O-CB 3.3Å; P355-W359 PolarHBondContact O-N 3.48Å; P355-L380 HydrophobicContact CB-CD1 4.05Å
356	M	97.4	Very high	91.5	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-67.9	-48.8	174.4	-172.8	-166.1	71.7	0	0	111.3	A323 L353 S354 W359 M360 I377 L380 I381 S384	A323-M356 HydrophobicContact CB-CE 4.24Å; A323-M356 HydrophobicContact CB-SD 4.07Å; L353-M356 PolarHBondContact O-N 1.82Å; S354-M356 PolarHBondContact O-N 2.87Å; M356-W359 WeakPolarHBondContact O-CB 3.37Å; M356-W359 PolarHBondContact O-N 2.98Å; M356-M360 HydrophobicContact CE-CE 4.19Å; M356-M360 HydrophobicContact CE-SD 4.25Å; M356-M360 HydrophobicContact CG-CE 3.79Å; M356-M360 HydrophobicContact CG-SD 4.28Å; M356-M360 WeakPolarHBondContact O-CG 3.38Å; M356-M360 PolarHBondContact O-N 2.86Å; M356-M360 HydrophobicContact SD-CE 3.88Å; M356-I377 HydrophobicContact CG-CD1 4.07Å; M356-L380 HydrophobicContact CB-CB 3.95Å; M356-L380 HydrophobicContact CB-CD1 4.5Å; M356-L380 HydrophobicContact CG-CB 4.25Å; M356-I381 HydrophobicContact CG-CG1 4.3Å; M356-I381 HydrophobicContact SD-CB 4.36Å; M356-I381 HydrophobicContact SD-CG1 3.8Å; M356-S384 PolarHBondContact SD-OG 3.26Å
357	Y	97.3	Very high	92.8	Very high	53 Å²	53	44 Å²	44	21%	0.208	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-38.4	-178.4	-70.9	-85.8	0	0	0	112.3	A323 L324 S326 L327 L353 S354 M360 L361	A323-Y357 PolarHBondContact O-OH 3.25Å; L324-Y357 WeakPolarHBondContact O-CE1 3.47Å; L324-Y357 PolarHBondContact O-OH 2.95Å; S326-Y357 PolarHBondContact N-OH 2.85Å; S326-Y357 PolarHBondContact OG-OH 3.38Å; L327-Y357 HydrophobicContact CB-CE2 4.5Å; L327-Y357 HydrophobicContact CD1-CD2 3.72Å; L327-Y357 HydrophobicContact CD1-CE1 4.45Å; L327-Y357 HydrophobicContact CD1-CE2 3.5Å; L327-Y357 VanDerWaalsContact CD1-CE2 3.5Å; L327-Y357 HydrophobicContact CD1-CG 4.29Å; L327-Y357 HydrophobicContact CG-CD2 4.26Å; L327-Y357 HydrophobicContact CG-CE2 3.53Å; L327-Y357 PolarHBondContact N-OH 3.32Å; L353-Y357 HydrophobicContact CB-CE2 4.36Å; S354-Y357 PolarHBondContact O-N 2.88Å; S354-Y357 VanDerWaalsContact O-N 3.13Å; Y357-M360 PolarHBondContact O-N 2.9Å; Y357-L361 WeakPolarHBondContact O-CB 3.32Å; Y357-L361 PolarHBondContact O-N 3.36Å
358	L	97	Very high	93.4	Very high	41 Å²	41	42.6 Å²	42.6	22%	0.215	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-42.7	175.8	-177.2	64.8	0	0	0	111.3	L234 F237 P238 S354 L361 V362	L234-L358 HydrophobicContact CD1-CD1 4.22Å; L234-L358 HydrophobicContact CD1-CD2 3.78Å; L234-L358 HydrophobicContact CD1-CG 3.79Å; L234-L358 HydrophobicContact CD2-CG 4.42Å; L234-L358 HydrophobicContact CG-CD2 4.04Å; L234-L358 HydrophobicContact CG-CG 3.96Å; L234-L358 WeakPolarHBondContact O-CD2 3.35Å; F237-L358 HydrophobicContact CB-CD2 3.95Å; F237-L358 HydrophobicContact CD1-CD2 4.19Å; F237-L358 HydrophobicContact CG-CD2 4.43Å; P238-L358 HydrophobicContact CG-CD2 4.22Å; S354-L358 VanDerWaalsContact O-CB 3.3Å; S354-L358 WeakPolarHBondContact O-CB 3.41Å; S354-L358 PolarHBondContact O-N 3.45Å; L358-L361 PolarHBondContact O-N 2.95Å; L358-V362 PolarHBondContact O-N 3.15Å; L358-V362 VanDerWaalsContact O-N 3.15Å
359	W	97	Very high	93.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-48.8	174	-167.6	-94.2	0	0	0	112.3	W229 F231 L234 I235 P355 M356 L361 V362 F363 F373 P376 I377	W229-W359 HydrophobicContact CE3-CH2 4.29Å; W229-W359 AromaticContact CZ3-CH2 3.91Å; W229-W359 HydrophobicContact CZ3-CH2 3.91Å; W229-W359 AromaticContact CZ3-CZ2 3.76Å; W229-W359 HydrophobicContact CZ3-CZ2 3.76Å; F231-W359 VanDerWaalsContact O-CZ3 3.31Å; F231-W359 WeakPolarHBondContact O-CZ3 3.47Å; L234-W359 HydrophobicContact CB-CE3 4.21Å; L234-W359 HydrophobicContact CB-CZ3 4.14Å; L234-W359 HydrophobicContact CD2-CE3 3.94Å; L234-W359 HydrophobicContact CD2-CZ3 4.42Å; L234-W359 HydrophobicContact CG-CE3 4.43Å; I235-W359 HydrophobicContact CD1-CD2 4.26Å; I235-W359 HydrophobicContact CD1-CE3 3.79Å; I235-W359 HydrophobicContact CD1-CZ3 3.96Å; I235-W359 HydrophobicContact CG1-CD2 4.26Å; I235-W359 HydrophobicContact CG1-CE3 3.47Å; I235-W359 VanDerWaalsContact CG1-CE3 3.47Å; I235-W359 HydrophobicContact CG1-CZ3 3.82Å; P355-W359 WeakPolarHBondContact O-CB 3.3Å; P355-W359 PolarHBondContact O-N 3.48Å; M356-W359 WeakPolarHBondContact O-CB 3.37Å; M356-W359 PolarHBondContact O-N 2.98Å; W359-L361 VanDerWaalsContact C-N 3.35Å; W359-L361 PolarHBondContact O-N 3.16Å; W359-V362 PolarHBondContact O-N 3.1Å; W359-F363 AromaticContact CD1-CD2 3.99Å; W359-F363 AromaticContact CD2-CD2 3.74Å; W359-F363 HydrophobicContact CD2-CD2 3.74Å; W359-F363 AromaticContact CD2-CE2 3.81Å; W359-F363 HydrophobicContact CD2-CE2 3.81Å; W359-F363 AromaticContact CE2-CD2 3.49Å; W359-F363 VanDerWaalsContact CE2-CD2 3.49Å; W359-F363 AromaticContact CE2-CE2 3.47Å; W359-F363 VanDerWaalsContact CE2-CE2 3.47Å; W359-F363 HydrophobicContact CE3-CD2 4.24Å; W359-F363 AromaticContact CE3-CE2 3.92Å; W359-F363 HydrophobicContact CE3-CE2 3.92Å; W359-F363 HydrophobicContact CG-CD2 4.09Å; W359-F363 HydrophobicContact CH2-CD2 4.33Å; W359-F363 AromaticContact CH2-CE2 3.46Å; W359-F363 HydrophobicContact CH2-CE2 3.46Å; W359-F363 VanDerWaalsContact CH2-CE2 3.46Å; W359-F363 AromaticContact CH2-CZ 3.91Å; W359-F363 HydrophobicContact CH2-CZ 3.91Å; W359-F363 AromaticContact CZ2-CD2 3.83Å; W359-F363 HydrophobicContact CZ2-CD2 3.83Å; W359-F363 AromaticContact CZ2-CE2 3.32Å; W359-F363 HydrophobicContact CZ2-CE2 3.32Å; W359-F363 AromaticContact CZ2-CZ 3.78Å; W359-F363 HydrophobicContact CZ2-CZ 3.78Å; W359-F363 AromaticContact CZ3-CE2 3.75Å; W359-F363 HydrophobicContact CZ3-CE2 3.75Å; W359-F363 AromaticContact NE1-CD2 3.65Å; W359-F363 PolarHBondContact O-N 3.41Å; W359-F373 WeakPolarHBondContact CZ2-O 3.14Å; W359-F373 PolarHBondContact NE1-O 3.25Å; W359-P376 HydrophobicContact CH2-CB 4.34Å; W359-P376 HydrophobicContact CH2-CG 4.19Å; W359-P376 HydrophobicContact CZ2-CB 4.07Å; W359-P376 HydrophobicContact CZ2-CG 3.79Å; W359-I377 HydrophobicContact CB-CD1 4.27Å; W359-I377 HydrophobicContact CB-CG2 3.57Å; W359-I377 HydrophobicContact CD2-CG2 3.96Å; W359-I377 HydrophobicContact CG-CB 4.48Å; W359-I377 HydrophobicContact CG-CD1 4.17Å; W359-I377 HydrophobicContact CG-CG1 4.3Å; W359-I377 HydrophobicContact CG-CG2 3.42Å; W359-I377 VanDerWaalsContact CG-CG2 3.42Å
360	M	95.6	Very high	93.9	Very high	13 Å²	13	41 Å²	41	6%	0.064	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-45.5	177.6	-69.6	177.4	174.5	0	0	111.2	F320 L324 M356 Y357 V362 F364 I377 I381	F320-M360 HydrophobicContact CD2-CE 4.5Å; F320-M360 HydrophobicContact CE2-CE 3.73Å; F320-M360 HydrophobicContact CZ-CE 4.49Å; L324-M360 HydrophobicContact CD2-CE 4.34Å; L324-M360 HydrophobicContact CD2-SD 3.72Å; M356-M360 HydrophobicContact CE-CE 4.19Å; M356-M360 HydrophobicContact CE-SD 4.25Å; M356-M360 HydrophobicContact CG-CE 3.79Å; M356-M360 HydrophobicContact CG-SD 4.28Å; M356-M360 WeakPolarHBondContact O-CG 3.38Å; M356-M360 PolarHBondContact O-N 2.86Å; M356-M360 HydrophobicContact SD-CE 3.88Å; Y357-M360 PolarHBondContact O-N 2.9Å; M360-V362 PolarHBondContact O-N 3.36Å; M360-F364 HydrophobicContact CB-CD2 4.03Å; M360-F364 HydrophobicContact CB-CE2 3.88Å; M360-F364 HydrophobicContact CB-CZ 4.36Å; M360-F364 HydrophobicContact CG-CD2 4.38Å; M360-F364 HydrophobicContact CG-CE2 3.73Å; M360-F364 HydrophobicContact CG-CZ 4.07Å; M360-F364 WeakPolarHBondContact O-CB 3.46Å; M360-F364 WeakPolarHBondContact O-CD2 3.4Å; M360-F364 WeakPolarHBondContact O-CG 3.27Å; M360-F364 PolarHBondContact O-N 3.44Å; M360-I377 HydrophobicContact CE-CD1 3.83Å; M360-I377 HydrophobicContact CG-CD1 3.87Å; M360-I381 HydrophobicContact CE-CD1 4.1Å; M360-I381 HydrophobicContact CE-CG1 3.95Å
361	L	94.8	Very high	94.1	Very high	120 Å²	120	36.1 Å²	36.1	63%	0.628	18%	0.183	S	C	*	.	H	α-helix	trans	-58	-44.5	178.6	-178.6	65	0	0	0	112.4	Y357 L358 W359 T365	Y357-L361 WeakPolarHBondContact O-CB 3.32Å; Y357-L361 PolarHBondContact O-N 3.36Å; L358-L361 PolarHBondContact O-N 2.95Å; W359-L361 VanDerWaalsContact C-N 3.35Å; W359-L361 PolarHBondContact O-N 3.16Å; L361-T365 VanDerWaalsContact O-CG2 3.28Å; L361-T365 WeakPolarHBondContact O-CG2 3.39Å; L361-T365 PolarHBondContact O-OG1 3.02Å
362	V	94.1	Very high	94.1	Very high	57 Å²	57	37.2 Å²	37.2	35%	0.345	19%	0.187	S	C	.	.	H	α-helix	trans	-71.9	-54.2	178.7	173.7	0	0	0	0	111.1	L234 L358 W359 M360 T365	L234-V362 HydrophobicContact CD1-CG2 4.3Å; L234-V362 HydrophobicContact CD2-CB 3.72Å; L234-V362 HydrophobicContact CD2-CG1 4.12Å; L234-V362 HydrophobicContact CD2-CG2 3.62Å; L358-V362 PolarHBondContact O-N 3.15Å; L358-V362 VanDerWaalsContact O-N 3.15Å; W359-V362 PolarHBondContact O-N 3.1Å; M360-V362 PolarHBondContact O-N 3.36Å; V362-T365 PolarHBondContact O-N 3.14Å; V362-T365 PolarHBondContact O-OG1 3.14Å
363	F	92.4	Very high	94.2	Very high	16 Å²	16	38.2 Å²	38.2	7%	0.07	19%	0.191	C	C	.	.	H	α-helix	trans	-72.6	-35.1	-171.9	-82.5	-85.4	0	0	0	113.8	W229 F231 Y308 W359 T365 R366 F373	W229-F363 AromaticContact CH2-CE1 3.55Å; W229-F363 HydrophobicContact CH2-CE1 3.55Å; W229-F363 AromaticContact CH2-CZ 3.53Å; W229-F363 HydrophobicContact CH2-CZ 3.53Å; W229-F363 HydrophobicContact CZ2-CE1 4.24Å; W229-F363 HydrophobicContact CZ2-CZ 4.26Å; W229-F363 HydrophobicContact CZ3-CE1 4.38Å; W229-F363 HydrophobicContact CZ3-CZ 4.02Å; F231-F363 HydrophobicContact CB-CZ 4.09Å; Y308-F363 HydrophobicContact CE2-CB 4.25Å; Y308-F363 WeakPolarHBondContact CE2-O 3.39Å; W359-F363 AromaticContact CD1-CD2 3.99Å; W359-F363 AromaticContact CD2-CD2 3.74Å; W359-F363 HydrophobicContact CD2-CD2 3.74Å; W359-F363 AromaticContact CD2-CE2 3.81Å; W359-F363 HydrophobicContact CD2-CE2 3.81Å; W359-F363 AromaticContact CE2-CD2 3.49Å; W359-F363 VanDerWaalsContact CE2-CD2 3.49Å; W359-F363 AromaticContact CE2-CE2 3.47Å; W359-F363 VanDerWaalsContact CE2-CE2 3.47Å; W359-F363 HydrophobicContact CE3-CD2 4.24Å; W359-F363 AromaticContact CE3-CE2 3.92Å; W359-F363 HydrophobicContact CE3-CE2 3.92Å; W359-F363 HydrophobicContact CG-CD2 4.09Å; W359-F363 HydrophobicContact CH2-CD2 4.33Å; W359-F363 AromaticContact CH2-CE2 3.46Å; W359-F363 HydrophobicContact CH2-CE2 3.46Å; W359-F363 VanDerWaalsContact CH2-CE2 3.46Å; W359-F363 AromaticContact CH2-CZ 3.91Å; W359-F363 HydrophobicContact CH2-CZ 3.91Å; W359-F363 AromaticContact CZ2-CD2 3.83Å; W359-F363 HydrophobicContact CZ2-CD2 3.83Å; W359-F363 AromaticContact CZ2-CE2 3.32Å; W359-F363 HydrophobicContact CZ2-CE2 3.32Å; W359-F363 AromaticContact CZ2-CZ 3.78Å; W359-F363 HydrophobicContact CZ2-CZ 3.78Å; W359-F363 AromaticContact CZ3-CE2 3.75Å; W359-F363 HydrophobicContact CZ3-CE2 3.75Å; W359-F363 AromaticContact NE1-CD2 3.65Å; W359-F363 PolarHBondContact O-N 3.41Å; F363-T365 PolarHBondContact O-N 3.28Å; F363-R366 PolarHBondContact O-N 3.47Å; F363-R366 VanDerWaalsContact O-N 3.07Å; F363-F373 HydrophobicContact CD1-CB 4.14Å; F363-F373 HydrophobicContact CE1-CB 4.24Å; F363-F373 HydrophobicContact CE1-CG 4.43Å
364	F	93.6	Very high	94.3	Very high	34 Å²	34	38.1 Å²	38.1	15%	0.149	19%	0.19	C	C	.	.	H	α-helix	trans	-69.8	-20.7	-179.6	-72.2	-139.3	0	0	0	112.2	Y308 F309 F320 M360 L374	Y308-F364 HydrophobicContact CD2-CB 4.39Å; Y308-F364 HydrophobicContact CD2-CD1 4.47Å; Y308-F364 AromaticContact CD2-CD2 3.52Å; Y308-F364 HydrophobicContact CD2-CD2 3.52Å; Y308-F364 AromaticContact CD2-CE2 3.88Å; Y308-F364 HydrophobicContact CD2-CE2 3.88Å; Y308-F364 AromaticContact CD2-CG 3.86Å; Y308-F364 HydrophobicContact CD2-CG 3.86Å; Y308-F364 HydrophobicContact CE2-CD2 4.3Å; Y308-F364 HydrophobicContact CG-CD2 4.07Å; Y308-F364 AromaticContact CG-CE2 3.95Å; Y308-F364 HydrophobicContact CG-CE2 3.95Å; Y308-F364 HydrophobicContact CG-CZ 4.28Å; F309-F364 HydrophobicContact CD1-CE1 4.38Å; F309-F364 HydrophobicContact CD2-CD1 4.01Å; F309-F364 AromaticContact CD2-CE1 3.81Å; F309-F364 HydrophobicContact CD2-CE1 3.81Å; F309-F364 HydrophobicContact CE1-CE1 4.22Å; F309-F364 AromaticContact CE2-CD1 3.56Å; F309-F364 HydrophobicContact CE2-CD1 3.56Å; F309-F364 AromaticContact CE2-CE1 3.64Å; F309-F364 HydrophobicContact CE2-CE1 3.64Å; F309-F364 HydrophobicContact CG-CE1 4.19Å; F309-F364 HydrophobicContact CZ-CD1 4Å; F309-F364 AromaticContact CZ-CE1 3.85Å; F309-F364 HydrophobicContact CZ-CE1 3.85Å; F320-F364 HydrophobicContact CZ-CZ 4.32Å; M360-F364 HydrophobicContact CB-CD2 4.03Å; M360-F364 HydrophobicContact CB-CE2 3.88Å; M360-F364 HydrophobicContact CB-CZ 4.36Å; M360-F364 HydrophobicContact CG-CD2 4.38Å; M360-F364 HydrophobicContact CG-CE2 3.73Å; M360-F364 HydrophobicContact CG-CZ 4.07Å; M360-F364 WeakPolarHBondContact O-CB 3.46Å; M360-F364 WeakPolarHBondContact O-CD2 3.4Å; M360-F364 WeakPolarHBondContact O-CG 3.27Å; M360-F364 PolarHBondContact O-N 3.44Å; F364-L374 HydrophobicContact CE2-CD2 3.93Å
365	T	91.3	Very high	94.4	Very high	81 Å²	81	37 Å²	37	50%	0.497	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.2	173	65.6	0	0	0	0	113.9	L361 V362 F363	L361-T365 VanDerWaalsContact O-CG2 3.28Å; L361-T365 WeakPolarHBondContact O-CG2 3.39Å; L361-T365 PolarHBondContact O-OG1 3.02Å; V362-T365 PolarHBondContact O-N 3.14Å; V362-T365 PolarHBondContact O-OG1 3.14Å; F363-T365 PolarHBondContact O-N 3.28Å
366	R	91.3	Very high	94.4	Very high	133 Å²	133	36.9 Å²	36.9	50%	0.502	18%	0.182	S	C	.	.			trans	-81.7	136.4	176.1	-60.7	-53.2	88.5	-162	-0.2	110.7	F363 K369	F363-R366 PolarHBondContact O-N 3.47Å; F363-R366 VanDerWaalsContact O-N 3.07Å; R366-K369 VanDerWaalsContact O-CE 3.26Å; R366-K369 WeakPolarHBondContact O-CE 3.46Å; R366-K369 PolarHBondContact O-NZ 3.47Å
367	P	90.4	Very high	94.4	Very high	59 Å²	59	36.9 Å²	36.9	38%	0.383	18%	0.181	S	C	.	.	S	Bend	trans	-61.6	-58.3	176.4	13.9	-23.3	0	0	0	113.2	D298 T302 E303 K369	D298-P367 WeakPolarHBondContact OD1-CG 3.26Å; D298-P367 VanDerWaalsContact OD2-CG 3.22Å; D298-P367 WeakPolarHBondContact OD2-CG 3.41Å; T302-P367 HydrophobicContact CG2-CB 3.94Å; E303-P367 PolarHBondContact N-O 3.49Å; P367-K369 PolarHBondContact O-NZ 3.35Å
368	H	90.2	Very high	94.5	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.06	17%	0.172	C	C	.	.	S	Bend	trans	-63.8	139.5	168.2	175.5	80.6	0	0	0	113	P297 D298 G301 E370 F373	P297-H368 HydrophobicContact CB-CB 4.37Å; P297-H368 HydrophobicContact CG-CB 4.4Å; P297-H368 PolarHBondContact O-ND1 3.47Å; D298-H368 WeakPolarHBondContact OD1-CB 3.4Å; D298-H368 PolarHBondContact OD1-N 2.91Å; G301-H368 PolarHBondContact O-ND1 2.73Å; H368-E370 IonicContact CE1-OE1 3.54Å; H368-E370 PolarHBondContact CE1-OE1 3.1Å; H368-E370 IonicContact NE2-OE1 3.73Å; H368-E370 PolarHBondContact NE2-OE1 3.14Å; H368-E370 IonicContact NE2-OE2 2.65Å; H368-F373 AromaticContact CD2-CE2 3.53Å; H368-F373 AromaticContact NE2-CE2 3.43Å; H368-F373 WeakPolarHBondContact NE2-CE2 3.47Å; H368-F373 AromaticContact NE2-CZ 3.59Å
369	K	92.5	Very high	94.5	Very high	14 Å²	14	32.5 Å²	32.5	6%	0.061	16%	0.162	C	C	.	.			trans	-150.7	138.8	-176	-55.3	174.3	-174.8	62.2	0	111	E303 F307 Y308 R366 P367	E303-K369 HydrophobicContact CB-CB 4.04Å; E303-K369 HydrophobicContact CB-CD 4.14Å; E303-K369 HydrophobicContact CB-CG 4.36Å; E303-K369 PolarHBondContact O-NZ 2.83Å; F307-K369 HydrophobicContact CB-CD 3.93Å; F307-K369 HydrophobicContact CD1-CB 3.61Å; F307-K369 HydrophobicContact CD1-CD 4.07Å; F307-K369 HydrophobicContact CD1-CG 4.46Å; F307-K369 HydrophobicContact CE1-CB 3.85Å; F307-K369 HydrophobicContact CG-CB 4.35Å; F307-K369 HydrophobicContact CG-CD 4.33Å; Y308-K369 HydrophobicContact CD2-CD 3.88Å; Y308-K369 HydrophobicContact CD2-CG 4.18Å; Y308-K369 HydrophobicContact CE1-CB 3.91Å; Y308-K369 HydrophobicContact CE2-CB 3.83Å; Y308-K369 HydrophobicContact CE2-CD 3.77Å; Y308-K369 HydrophobicContact CE2-CG 3.54Å; Y308-K369 HydrophobicContact CG-CD 4.47Å; Y308-K369 VanDerWaalsContact CZ-CB 3.48Å; Y308-K369 WeakPolarHBondContact OH-CA 3.38Å; Y308-K369 WeakPolarHBondContact OH-CB 3.29Å; R366-K369 VanDerWaalsContact O-CE 3.26Å; R366-K369 WeakPolarHBondContact O-CE 3.46Å; R366-K369 PolarHBondContact O-NZ 3.47Å; P367-K369 PolarHBondContact O-NZ 3.35Å
370	E	92.4	Very high	94.6	Very high	46 Å²	46	32.7 Å²	32.7	22%	0.215	16%	0.163	C	C	.	.			trans	-142.3	143.7	176.8	-62.1	178.2	153.4	0	0	109.8	Y308 H368 R372 F373	Y308-E370 WeakPolarHBondContact CE1-O 3.34Å; Y308-E370 PolarHBondContact OH-N 3.13Å; H368-E370 IonicContact CE1-OE1 3.54Å; H368-E370 PolarHBondContact CE1-OE1 3.1Å; H368-E370 IonicContact NE2-OE1 3.73Å; H368-E370 PolarHBondContact NE2-OE1 3.14Å; H368-E370 IonicContact NE2-OE2 2.65Å; E370-R372 HydrophobicContact CB-CG 4.04Å; E370-R372 PolarHBondContact O-N 3.22Å; E370-R372 VanDerWaalsContact O-N 3.14Å; E370-R372 IonicContact OE1-NH2 2.72Å; E370-R372 IonicContact OE2-CZ 3.42Å; E370-R372 IonicContact OE2-NE 3.71Å; E370-R372 PolarHBondContact OE2-NE 2.94Å; E370-R372 IonicContact OE2-NH2 2.74Å; E370-R372 PolarHBondContact OE2-NH2 3.44Å; E370-F373 HydrophobicContact CB-CD2 3.91Å; E370-F373 HydrophobicContact CB-CE1 4.46Å; E370-F373 HydrophobicContact CB-CE2 3.75Å; E370-F373 HydrophobicContact CB-CG 4.33Å; E370-F373 HydrophobicContact CB-CZ 4.05Å; E370-F373 HydrophobicContact CG-CD2 4.44Å; E370-F373 HydrophobicContact CG-CE2 3.79Å; E370-F373 HydrophobicContact CG-CZ 4Å; E370-F373 PolarHBondContact O-N 2.94Å; E370-F373 VanDerWaalsContact OE2-CE1 3.3Å; E370-F373 WeakPolarHBondContact OE2-CE1 3.48Å; E370-F373 WeakPolarHBondContact OE2-CZ 3.33Å
371	E	93.1	Very high	94.8	Very high	45 Å²	45	32.1 Å²	32.1	21%	0.21	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-54.5	-38	-175.5	-174.3	176	-174	0	0	112.6	N315 F373 L374 F375	N315-E371 PolarHBondContact ND2-OE1 3.42Å; E371-F373 VanDerWaalsContact C-N 3.28Å; E371-F373 PolarHBondContact O-N 3.1Å; E371-L374 PolarHBondContact O-N 3.12Å; E371-L374 VanDerWaalsContact O-N 3.16Å; E371-F375 HydrophobicContact CG-CE1 4.37Å
372	R	94.5	Very high	94.9	Very high	25 Å²	25	26.4 Å²	26.4	9%	0.094	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-60.1	-29.1	177.9	62.2	169.5	177	-174	-0.3	114.5	D82 D84 L193 S195 E370 L374 F375	D82-R372 VanDerWaalsContact OD2-CD 3.26Å; D82-R372 WeakPolarHBondContact OD2-CD 3.45Å; D82-R372 IonicContact OD2-CZ 2.81Å; D82-R372 VanDerWaalsContact OD2-CZ 3.25Å; D82-R372 IonicContact OD2-NE 3.37Å; D82-R372 PolarHBondContact OD2-NE 2.85Å; D82-R372 IonicContact OD2-NH1 2.76Å; D82-R372 PolarHBondContact OD2-NH1 3.46Å; D84-R372 VanDerWaalsContact CG-NH1 3.32Å; D84-R372 IonicContact OD2-CZ 3.95Å; D84-R372 VanDerWaalsContact OD2-CZ 3.3Å; D84-R372 IonicContact OD2-NH1 4Å; D84-R372 PolarHBondContact OD2-NH1 3.36Å; D84-R372 IonicContact OD2-NH2 3.92Å; D84-R372 PolarHBondContact OD2-NH2 2.87Å; L193-R372 HydrophobicContact CD1-CB 4.05Å; S195-R372 WeakPolarHBondContact CB-O 3.3Å; E370-R372 HydrophobicContact CB-CG 4.04Å; E370-R372 PolarHBondContact O-N 3.22Å; E370-R372 VanDerWaalsContact O-N 3.14Å; E370-R372 IonicContact OE1-NH2 2.72Å; E370-R372 IonicContact OE2-CZ 3.42Å; E370-R372 IonicContact OE2-NE 3.71Å; E370-R372 PolarHBondContact OE2-NE 2.94Å; E370-R372 IonicContact OE2-NH2 2.74Å; E370-R372 PolarHBondContact OE2-NH2 3.44Å; R372-L374 PolarHBondContact O-N 3.39Å; R372-L374 VanDerWaalsContact O-N 3.14Å; R372-F375 HydrophobicContact CB-CD2 4.1Å; R372-F375 HydrophobicContact CB-CE1 4.48Å; R372-F375 HydrophobicContact CB-CE2 3.94Å; R372-F375 HydrophobicContact CB-CG 4.46Å; R372-F375 HydrophobicContact CB-CZ 4.14Å; R372-F375 VanDerWaalsContact O-CB 3.28Å; R372-F375 WeakPolarHBondContact O-CB 3.26Å; R372-F375 WeakPolarHBondContact O-CG 3.48Å; R372-F375 PolarHBondContact O-N 2.98Å
373	F	95.1	Very high	95.2	Very high	22 Å²	22	23.8 Å²	23.8	10%	0.096	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-68	-14.3	179.4	-58.6	-27.2	0	0	0	112.8	W229 Y308 W359 F363 H368 E370 E371	W229-F373 HydrophobicContact CH2-CB 4.05Å; W229-F373 AromaticContact CH2-CD1 3.35Å; W229-F373 HydrophobicContact CH2-CD1 3.35Å; W229-F373 AromaticContact CH2-CE1 3.98Å; W229-F373 HydrophobicContact CH2-CE1 3.98Å; W229-F373 AromaticContact CH2-CG 3.8Å; W229-F373 HydrophobicContact CH2-CG 3.8Å; W229-F373 AromaticContact CZ2-CD1 3.79Å; W229-F373 HydrophobicContact CZ2-CD1 3.79Å; W229-F373 AromaticContact CZ2-CE1 3.91Å; W229-F373 HydrophobicContact CZ2-CE1 3.91Å; W229-F373 HydrophobicContact CZ2-CG 4.48Å; W229-F373 HydrophobicContact CZ3-CB 4.5Å; W229-F373 HydrophobicContact CZ3-CD1 4.1Å; Y308-F373 WeakPolarHBondContact OH-CD2 3.36Å; W359-F373 WeakPolarHBondContact CZ2-O 3.14Å; W359-F373 PolarHBondContact NE1-O 3.25Å; F363-F373 HydrophobicContact CD1-CB 4.14Å; F363-F373 HydrophobicContact CE1-CB 4.24Å; F363-F373 HydrophobicContact CE1-CG 4.43Å; H368-F373 AromaticContact CD2-CE2 3.53Å; H368-F373 AromaticContact NE2-CE2 3.43Å; H368-F373 WeakPolarHBondContact NE2-CE2 3.47Å; H368-F373 AromaticContact NE2-CZ 3.59Å; E370-F373 HydrophobicContact CB-CD2 3.91Å; E370-F373 HydrophobicContact CB-CE1 4.46Å; E370-F373 HydrophobicContact CB-CE2 3.75Å; E370-F373 HydrophobicContact CB-CG 4.33Å; E370-F373 HydrophobicContact CB-CZ 4.05Å; E370-F373 HydrophobicContact CG-CD2 4.44Å; E370-F373 HydrophobicContact CG-CE2 3.79Å; E370-F373 HydrophobicContact CG-CZ 4Å; E370-F373 PolarHBondContact O-N 2.94Å; E370-F373 VanDerWaalsContact OE2-CE1 3.3Å; E370-F373 WeakPolarHBondContact OE2-CE1 3.48Å; E370-F373 WeakPolarHBondContact OE2-CZ 3.33Å; E371-F373 VanDerWaalsContact C-N 3.28Å; E371-F373 PolarHBondContact O-N 3.1Å
374	L	96.4	Very high	95.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-88	-14.7	171.4	-59.6	-173	0	0	0	113.7	Y308 F364 E371 R372 P376 I377 Y378	Y308-L374 HydrophobicContact CD1-CD1 3.51Å; Y308-L374 HydrophobicContact CD1-CD2 3.84Å; Y308-L374 HydrophobicContact CD1-CG 3.62Å; Y308-L374 HydrophobicContact CE1-CD1 4.2Å; Y308-L374 HydrophobicContact CE1-CD2 3.97Å; Y308-L374 HydrophobicContact CE1-CG 3.79Å; Y308-L374 HydrophobicContact CG-CD1 4.08Å; Y308-L374 HydrophobicContact CG-CD2 4.12Å; Y308-L374 HydrophobicContact CG-CG 4.33Å; F364-L374 HydrophobicContact CE2-CD2 3.93Å; E371-L374 PolarHBondContact O-N 3.12Å; E371-L374 VanDerWaalsContact O-N 3.16Å; R372-L374 PolarHBondContact O-N 3.39Å; R372-L374 VanDerWaalsContact O-N 3.14Å; L374-P376 VanDerWaalsContact C-CD 3.41Å; L374-P376 VanDerWaalsContact C-N 3.33Å; L374-I377 VanDerWaalsContact O-CG1 3.23Å; L374-I377 WeakPolarHBondContact O-CG1 3.27Å; L374-I377 PolarHBondContact O-N 3.03Å; L374-Y378 HydrophobicContact CB-CD1 4.09Å; L374-Y378 HydrophobicContact CB-CE1 3.44Å; L374-Y378 VanDerWaalsContact CB-CE1 3.44Å; L374-Y378 WeakPolarHBondContact O-CD1 3.28Å; L374-Y378 PolarHBondContact O-N 2.76Å
375	F	97.7	Very high	95.6	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-51.4	-43.1	-177.3	-67.9	-0.1	0	0	0	113.3	A191 L193 S196 M199 E371 R372 I377 Y378	A191-F375 HydrophobicContact CB-CE2 4.38Å; L193-F375 HydrophobicContact CD1-CE2 4.15Å; S196-F375 VanDerWaalsContact OG-CD2 3.28Å; S196-F375 WeakPolarHBondContact OG-CD2 3.37Å; M199-F375 WeakPolarHBondContact CB-O 3.39Å; M199-F375 WeakPolarHBondContact CG-O 3.37Å; M199-F375 VanDerWaalsContact SD-O 3.35Å; E371-F375 HydrophobicContact CG-CE1 4.37Å; R372-F375 HydrophobicContact CB-CD2 4.1Å; R372-F375 HydrophobicContact CB-CE1 4.48Å; R372-F375 HydrophobicContact CB-CE2 3.94Å; R372-F375 HydrophobicContact CB-CG 4.46Å; R372-F375 HydrophobicContact CB-CZ 4.14Å; R372-F375 VanDerWaalsContact O-CB 3.28Å; R372-F375 WeakPolarHBondContact O-CB 3.26Å; R372-F375 WeakPolarHBondContact O-CG 3.48Å; R372-F375 PolarHBondContact O-N 2.98Å; F375-I377 PolarHBondContact O-N 3.04Å; F375-Y378 AromaticContact CD1-CD2 3.97Å; F375-Y378 HydrophobicContact CD1-CD2 3.97Å; F375-Y378 HydrophobicContact CD1-CE1 4.3Å; F375-Y378 AromaticContact CD1-CE2 3.33Å; F375-Y378 HydrophobicContact CD1-CE2 3.33Å; F375-Y378 AromaticContact CD1-CZ 3.53Å; F375-Y378 AromaticContact CE1-CE2 3.65Å; F375-Y378 HydrophobicContact CE1-CE2 3.65Å; F375-Y378 AromaticContact CE1-CZ 3.87Å; F375-Y378 HydrophobicContact CG-CE2 4.36Å; F375-Y378 PolarHBondContact O-N 2.65Å; F375-Y378 VanDerWaalsContact O-N 3.12Å
376	P	98.3	Very high	96	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-54.9	-28.4	179.6	-28.9	38.3	0	0	0	114.8	C198 T202 I235 W359 L374	C198-P376 HydrophobicContact CB-CB 4.29Å; C198-P376 HydrophobicContact CB-CG 3.92Å; T202-P376 WeakPolarHBondContact CG2-O 3.38Å; I235-P376 HydrophobicContact CD1-CB 3.61Å; W359-P376 HydrophobicContact CH2-CB 4.34Å; W359-P376 HydrophobicContact CH2-CG 4.19Å; W359-P376 HydrophobicContact CZ2-CB 4.07Å; W359-P376 HydrophobicContact CZ2-CG 3.79Å; L374-P376 VanDerWaalsContact C-CD 3.41Å; L374-P376 VanDerWaalsContact C-N 3.33Å
377	I	98.1	Very high	96.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-105.1	0.9	-178.3	65.2	158.2	0	0	0	114.9	I235 M356 W359 M360 L374 F375 L380 I381	I235-I377 HydrophobicContact CD1-CG2 3.88Å; I235-I377 HydrophobicContact CG1-CG2 4.46Å; M356-I377 HydrophobicContact CG-CD1 4.07Å; W359-I377 HydrophobicContact CB-CD1 4.27Å; W359-I377 HydrophobicContact CB-CG2 3.57Å; W359-I377 HydrophobicContact CD2-CG2 3.96Å; W359-I377 HydrophobicContact CG-CB 4.48Å; W359-I377 HydrophobicContact CG-CD1 4.17Å; W359-I377 HydrophobicContact CG-CG1 4.3Å; W359-I377 HydrophobicContact CG-CG2 3.42Å; W359-I377 VanDerWaalsContact CG-CG2 3.42Å; M360-I377 HydrophobicContact CE-CD1 3.83Å; M360-I377 HydrophobicContact CG-CD1 3.87Å; L374-I377 VanDerWaalsContact O-CG1 3.23Å; L374-I377 WeakPolarHBondContact O-CG1 3.27Å; L374-I377 PolarHBondContact O-N 3.03Å; F375-I377 PolarHBondContact O-N 3.04Å; I377-L380 HydrophobicContact CB-CB 4.4Å; I377-L380 HydrophobicContact CB-CD1 4.39Å; I377-L380 HydrophobicContact CG2-CD1 4.11Å; I377-L380 CarbonylContact O-C 3.59Å; I377-L380 WeakPolarHBondContact O-CA 3.18Å; I377-L380 WeakPolarHBondContact O-CB 3.41Å; I377-L380 PolarHBondContact O-N 2.75Å; I377-I381 HydrophobicContact CD1-CD1 4.33Å; I377-I381 HydrophobicContact CG1-CD1 4.45Å; I377-I381 PolarHBondContact O-N 2.9Å
378	Y	98.4	Very high	96.5	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.008	4%	0.039	C	C	.	.	H	α-helix	trans	-53.3	-43.8	178.7	-82.2	8.9	0	0	0	113.6	G184 F316 L374 F375 L380 I381 C382	G184-Y378 VanDerWaalsContact C-CD2 3.45Å; G184-Y378 VanDerWaalsContact CA-CE2 3.45Å; G184-Y378 WeakPolarHBondContact O-CD2 3.23Å; G184-Y378 VanDerWaalsContact O-CE2 3.27Å; G184-Y378 WeakPolarHBondContact O-CE2 3.19Å; F316-Y378 AromaticContact CE2-CD1 3.55Å; F316-Y378 HydrophobicContact CE2-CD1 3.55Å; F316-Y378 HydrophobicContact CE2-CD2 4.02Å; F316-Y378 AromaticContact CE2-CE1 3.75Å; F316-Y378 HydrophobicContact CE2-CE1 3.75Å; F316-Y378 HydrophobicContact CE2-CE2 4.21Å; F316-Y378 AromaticContact CE2-CG 3.69Å; F316-Y378 HydrophobicContact CE2-CG 3.69Å; F316-Y378 AromaticContact CZ-CD1 3.86Å; F316-Y378 HydrophobicContact CZ-CD1 3.86Å; F316-Y378 AromaticContact CZ-CD2 3.75Å; F316-Y378 HydrophobicContact CZ-CD2 3.75Å; F316-Y378 HydrophobicContact CZ-CE1 4.4Å; F316-Y378 HydrophobicContact CZ-CE2 4.32Å; F316-Y378 AromaticContact CZ-CG 3.48Å; F316-Y378 HydrophobicContact CZ-CG 3.48Å; F316-Y378 VanDerWaalsContact CZ-CG 3.48Å; L374-Y378 HydrophobicContact CB-CD1 4.09Å; L374-Y378 HydrophobicContact CB-CE1 3.44Å; L374-Y378 VanDerWaalsContact CB-CE1 3.44Å; L374-Y378 WeakPolarHBondContact O-CD1 3.28Å; L374-Y378 PolarHBondContact O-N 2.76Å; F375-Y378 AromaticContact CD1-CD2 3.97Å; F375-Y378 HydrophobicContact CD1-CD2 3.97Å; F375-Y378 HydrophobicContact CD1-CE1 4.3Å; F375-Y378 AromaticContact CD1-CE2 3.33Å; F375-Y378 HydrophobicContact CD1-CE2 3.33Å; F375-Y378 AromaticContact CD1-CZ 3.53Å; F375-Y378 AromaticContact CE1-CE2 3.65Å; F375-Y378 HydrophobicContact CE1-CE2 3.65Å; F375-Y378 AromaticContact CE1-CZ 3.87Å; F375-Y378 HydrophobicContact CG-CE2 4.36Å; F375-Y378 PolarHBondContact O-N 2.65Å; F375-Y378 VanDerWaalsContact O-N 3.12Å; Y378-L380 VanDerWaalsContact C-N 3.28Å; Y378-L380 PolarHBondContact O-N 2.95Å; Y378-I381 HydrophobicContact CD1-CD1 4.26Å; Y378-I381 PolarHBondContact O-N 2.92Å; Y378-C382 PolarHBondContact O-N 3.3Å
379	P	98.4	Very high	96.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-67.3	-26	172.8	-22.1	34.5	0	0	0	114.2	F159 L179 M185 M199 L203 C382 L383	F159-P379 HydrophobicContact CE1-CB 4.15Å; L179-P379 HydrophobicContact CD2-CB 4Å; L179-P379 HydrophobicContact CD2-CG 4.48Å; M185-P379 HydrophobicContact CE-CG 4.1Å; M185-P379 HydrophobicContact SD-CG 3.99Å; M199-P379 HydrophobicContact CG-CG 3.65Å; M199-P379 HydrophobicContact SD-CG 4.12Å; L203-P379 HydrophobicContact CD1-CG 4.11Å; L203-P379 HydrophobicContact CD2-CB 3.56Å; L203-P379 HydrophobicContact CD2-CG 3.8Å; L203-P379 HydrophobicContact CG-CB 4.19Å; L203-P379 HydrophobicContact CG-CG 3.91Å; P379-C382 WeakPolarHBondContact O-CB 2.94Å; P379-C382 PolarHBondContact O-N 3.05Å; P379-L383 PolarHBondContact O-N 3.27Å
380	L	98.6	Very high	96.8	Very high	4 Å²	4	7.3 Å²	7.3	2%	0.021	3%	0.033	C	C	.	.	H	α-helix	trans	-78.1	-29.3	179	-49.2	-171.6	0	0	0	111.7	F159 T202 M206 I235 P355 M356 I377 Y378 S384	F159-L380 HydrophobicContact CZ-CD2 4.15Å; T202-L380 HydrophobicContact CG2-CD1 4.06Å; T202-L380 HydrophobicContact CG2-CD2 4.18Å; T202-L380 HydrophobicContact CG2-CG 4.22Å; M206-L380 HydrophobicContact CE-CD2 3.91Å; M206-L380 HydrophobicContact CG-CD2 4.13Å; I235-L380 HydrophobicContact CG2-CD1 4.43Å; P355-L380 HydrophobicContact CB-CD1 4.05Å; M356-L380 HydrophobicContact CB-CB 3.95Å; M356-L380 HydrophobicContact CB-CD1 4.5Å; M356-L380 HydrophobicContact CG-CB 4.25Å; I377-L380 HydrophobicContact CB-CB 4.4Å; I377-L380 HydrophobicContact CB-CD1 4.39Å; I377-L380 HydrophobicContact CG2-CD1 4.11Å; I377-L380 CarbonylContact O-C 3.59Å; I377-L380 WeakPolarHBondContact O-CA 3.18Å; I377-L380 WeakPolarHBondContact O-CB 3.41Å; I377-L380 PolarHBondContact O-N 2.75Å; Y378-L380 VanDerWaalsContact C-N 3.28Å; Y378-L380 PolarHBondContact O-N 2.95Å; L380-S384 VanDerWaalsContact O-CB 3.23Å; L380-S384 WeakPolarHBondContact O-CB 3.3Å; L380-S384 PolarHBondContact O-N 2.82Å; L380-S384 PolarHBondContact O-OG 3.34Å
381	I	98.6	Very high	96.8	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.005	2%	0.023	C	C	.	.	H	α-helix	trans	-62.8	-47.5	166.3	-64.6	168.2	0	0	0	109.3	F316 F320 A323 M356 M360 I377 Y378 L383 S384 G385	F316-I381 HydrophobicContact CB-CG2 4.03Å; F316-I381 HydrophobicContact CD1-CG2 4.18Å; F316-I381 HydrophobicContact CD2-CD1 4.29Å; F316-I381 HydrophobicContact CD2-CG2 4.18Å; F316-I381 HydrophobicContact CE2-CD1 4.3Å; F316-I381 HydrophobicContact CG-CG2 3.85Å; F320-I381 HydrophobicContact CD2-CD1 4.2Å; F320-I381 HydrophobicContact CD2-CG2 4.24Å; F320-I381 HydrophobicContact CE2-CD1 4.33Å; A323-I381 HydrophobicContact CB-CB 4.49Å; A323-I381 HydrophobicContact CB-CG2 3.93Å; M356-I381 HydrophobicContact CG-CG1 4.3Å; M356-I381 HydrophobicContact SD-CB 4.36Å; M356-I381 HydrophobicContact SD-CG1 3.8Å; M360-I381 HydrophobicContact CE-CD1 4.1Å; M360-I381 HydrophobicContact CE-CG1 3.95Å; I377-I381 HydrophobicContact CD1-CD1 4.33Å; I377-I381 HydrophobicContact CG1-CD1 4.45Å; I377-I381 PolarHBondContact O-N 2.9Å; Y378-I381 HydrophobicContact CD1-CD1 4.26Å; Y378-I381 PolarHBondContact O-N 2.92Å; I381-L383 PolarHBondContact O-N 3.41Å; I381-S384 PolarHBondContact O-N 3.2Å; I381-G385 PolarHBondContact O-N 3.43Å
382	C	98.6	Very high	96.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-59.3	-43.6	175.4	-67.4	0	0	0	0	112.8	M175 F178 L179 F316 Y378 P379 A386	M175-C382 HydrophobicContact CG-CB 4.17Å; F178-C382 HydrophobicContact CB-CB 4Å; L179-C382 HydrophobicContact CD2-CB 3.98Å; L179-C382 HydrophobicContact CG-CB 4.13Å; F316-C382 VanDerWaalsContact CE1-SG 3.6Å; Y378-C382 PolarHBondContact O-N 3.3Å; P379-C382 WeakPolarHBondContact O-CB 2.94Å; P379-C382 PolarHBondContact O-N 3.05Å; C382-A386 VanDerWaalsContact O-CB 3.3Å; C382-A386 WeakPolarHBondContact O-CB 3.37Å; C382-A386 PolarHBondContact O-N 3.43Å; C382-A386 VanDerWaalsContact O-N 3.1Å
383	L	98.5	Very high	96.5	Very high	2 Å²	2	4.6 Å²	4.6	1%	0.01	2%	0.023	C	C	.	.	H	α-helix	trans	-64.1	-50.6	175.3	174.4	60.3	0	0	0	111.7	F159 V163 F167 V171 M175 F210 L353 P379 I381 G385 A386 V387	F159-L383 HydrophobicContact CE2-CD2 4.48Å; F159-L383 HydrophobicContact CZ-CB 4.25Å; F159-L383 HydrophobicContact CZ-CD2 3.9Å; V163-L383 HydrophobicContact CB-CD1 4.49Å; V163-L383 HydrophobicContact CG1-CD1 3.73Å; V163-L383 HydrophobicContact CG2-CD1 3.88Å; V163-L383 HydrophobicContact CG2-CD2 4.38Å; F167-L383 HydrophobicContact CD2-CD1 4.04Å; F167-L383 HydrophobicContact CE2-CD1 4.05Å; F167-L383 HydrophobicContact CE2-CD2 4.11Å; V171-L383 HydrophobicContact CG1-CD1 4.17Å; M175-L383 HydrophobicContact CG-CB 4.45Å; M175-L383 HydrophobicContact SD-CB 3.92Å; M175-L383 HydrophobicContact SD-CD1 4.02Å; F210-L383 HydrophobicContact CE2-CD2 3.73Å; F210-L383 HydrophobicContact CZ-CD2 3.89Å; L353-L383 HydrophobicContact CD2-CD2 4.23Å; L353-L383 HydrophobicContact CD2-CG 4.18Å; P379-L383 PolarHBondContact O-N 3.27Å; I381-L383 PolarHBondContact O-N 3.41Å; L383-G385 VanDerWaalsContact C-N 3.34Å; L383-G385 PolarHBondContact O-N 2.88Å; L383-A386 PolarHBondContact O-N 3.16Å; L383-A386 VanDerWaalsContact O-N 3.15Å; L383-V387 HydrophobicContact CD1-CG2 4.09Å; L383-V387 WeakPolarHBondContact O-CG2 3.25Å; L383-V387 PolarHBondContact O-N 3.44Å
384	S	98.3	Very high	96.2	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.007	3%	0.027	C	C	.	.	H	α-helix	trans	-63.7	-40.8	-175.7	-57.9	0	0	0	0	111.3	S326 M356 L380 I381 V387 A388	S326-S384 VanDerWaalsContact CB-O 3.27Å; S326-S384 WeakPolarHBondContact CB-O 3.44Å; M356-S384 PolarHBondContact SD-OG 3.26Å; L380-S384 VanDerWaalsContact O-CB 3.23Å; L380-S384 WeakPolarHBondContact O-CB 3.3Å; L380-S384 PolarHBondContact O-N 2.82Å; L380-S384 PolarHBondContact O-OG 3.34Å; I381-S384 PolarHBondContact O-N 3.2Å; S384-V387 PolarHBondContact O-N 3.02Å; S384-A388 VanDerWaalsContact O-CB 3.3Å; S384-A388 WeakPolarHBondContact O-CB 3.38Å; S384-A388 PolarHBondContact O-N 3.43Å
385	G	98	Very high	95.7	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-66.5	-35	173.8	0	0	0	0	0	113.6	I381 L383 L389	I381-G385 PolarHBondContact O-N 3.43Å; L383-G385 VanDerWaalsContact C-N 3.34Å; L383-G385 PolarHBondContact O-N 2.88Å; G385-L389 WeakPolarHBondContact O-CB 3.46Å; G385-L389 PolarHBondContact O-N 2.83Å
386	A	97.9	Very high	95.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-69.5	-37.4	173.8	0	0	0	0	0	112.9	V171 L174 M175 F178 C382 L383 S390	V171-A386 HydrophobicContact CG1-CB 4.1Å; L174-A386 HydrophobicContact CB-CB 3.81Å; M175-A386 HydrophobicContact CB-CB 3.86Å; F178-A386 HydrophobicContact CD2-CB 4.15Å; F178-A386 HydrophobicContact CE2-CB 4.06Å; C382-A386 VanDerWaalsContact O-CB 3.3Å; C382-A386 WeakPolarHBondContact O-CB 3.37Å; C382-A386 PolarHBondContact O-N 3.43Å; C382-A386 VanDerWaalsContact O-N 3.1Å; L383-A386 PolarHBondContact O-N 3.16Å; L383-A386 VanDerWaalsContact O-N 3.15Å; A386-S390 WeakPolarHBondContact O-CB 3.49Å; A386-S390 PolarHBondContact O-N 3.33Å; A386-S390 VanDerWaalsContact O-N 3.11Å
387	V	96.6	Very high	94.5	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.012	5%	0.048	C	C	.	.	H	α-helix	trans	-66.2	-48.1	171.6	173.2	0	0	0	0	110.5	F167 V171 T330 Y349 L353 L383 S384 L389 S390 S391	F167-V387 HydrophobicContact CD1-CG2 4.15Å; F167-V387 HydrophobicContact CE1-CG2 4.38Å; F167-V387 HydrophobicContact CG-CG2 4.49Å; V171-V387 HydrophobicContact CG1-CG2 3.72Å; T330-V387 HydrophobicContact CG2-CG1 3.56Å; Y349-V387 HydrophobicContact CD1-CG1 3.81Å; Y349-V387 HydrophobicContact CE1-CG1 3.78Å; L353-V387 HydrophobicContact CD1-CB 4.43Å; L353-V387 HydrophobicContact CD1-CG1 4.12Å; L353-V387 HydrophobicContact CD2-CG2 4.44Å; L383-V387 HydrophobicContact CD1-CG2 4.09Å; L383-V387 WeakPolarHBondContact O-CG2 3.25Å; L383-V387 PolarHBondContact O-N 3.44Å; S384-V387 PolarHBondContact O-N 3.02Å; V387-L389 PolarHBondContact O-N 3.04Å; V387-S390 WeakPolarHBondContact O-CB 3.39Å; V387-S390 PolarHBondContact O-N 2.9Å; V387-S391 PolarHBondContact O-N 3.27Å; V387-S391 PolarHBondContact O-OG 3.28Å
388	A	96.7	Very high	93.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-55.7	-46.5	177.6	0	0	0	0	0	112.8	L322 L329 S384 S391 L392	L322-A388 HydrophobicContact CB-CB 4Å; L322-A388 HydrophobicContact CD2-CB 4.39Å; L322-A388 WeakPolarHBondContact O-CB 3.39Å; L329-A388 HydrophobicContact CD1-CB 3.93Å; S384-A388 VanDerWaalsContact O-CB 3.3Å; S384-A388 WeakPolarHBondContact O-CB 3.38Å; S384-A388 PolarHBondContact O-N 3.43Å; A388-S391 PolarHBondContact O-N 3.48Å; A388-L392 WeakPolarHBondContact O-CB 3.17Å; A388-L392 PolarHBondContact O-N 3.11Å
389	L	95.9	Very high	92.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.5	-44.1	176.9	-174.3	61.8	0	0	0	111.7	L174 F178 L322 G385 V387 S391 L392 Q393 L415 A416 T419	L174-L389 HydrophobicContact CD1-CB 4.42Å; L174-L389 HydrophobicContact CD1-CD2 3.92Å; L174-L389 HydrophobicContact CD1-CG 4.29Å; L174-L389 HydrophobicContact CD2-CD2 3.91Å; L174-L389 HydrophobicContact CG-CD2 4.47Å; F178-L389 HydrophobicContact CZ-CD2 4.1Å; L322-L389 HydrophobicContact CD1-CB 4.41Å; L322-L389 HydrophobicContact CD1-CD1 4.47Å; G385-L389 WeakPolarHBondContact O-CB 3.46Å; G385-L389 PolarHBondContact O-N 2.83Å; V387-L389 PolarHBondContact O-N 3.04Å; L389-S391 PolarHBondContact O-N 3.34Å; L389-L392 PolarHBondContact O-N 3.08Å; L389-Q393 WeakPolarHBondContact O-CB 3.41Å; L389-Q393 VanDerWaalsContact O-CG 3.27Å; L389-Q393 WeakPolarHBondContact O-CG 3.36Å; L389-Q393 PolarHBondContact O-N 2.71Å; L389-L415 HydrophobicContact CD1-CG 4.22Å; L389-A416 HydrophobicContact CD2-CB 4.28Å; L389-T419 HydrophobicContact CD1-CG2 3.97Å; L389-T419 HydrophobicContact CD2-CG2 3.45Å; L389-T419 VanDerWaalsContact CD2-CG2 3.45Å; L389-T419 HydrophobicContact CG-CG2 4.33Å
390	S	92.8	Very high	92	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-61.1	-41.7	175.7	-178.9	0	0	0	0	112.3	A386 V387 K394 Y408	A386-S390 WeakPolarHBondContact O-CB 3.49Å; A386-S390 PolarHBondContact O-N 3.33Å; A386-S390 VanDerWaalsContact O-N 3.11Å; V387-S390 WeakPolarHBondContact O-CB 3.39Å; V387-S390 PolarHBondContact O-N 2.9Å; S390-K394 WeakPolarHBondContact O-CD 3.38Å; S390-K394 VanDerWaalsContact O-CG 3.26Å; S390-K394 WeakPolarHBondContact O-CG 3.47Å; S390-K394 PolarHBondContact O-N 2.76Å; S390-K394 VanDerWaalsContact O-N 3.08Å; S390-Y408 PolarHBondContact OG-OH 2.95Å
391	S	91.6	Very high	90.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-46	172.8	-70.9	0	0	0	0	112.1	M333 V387 A388 L389 Q393 K394 C395	M333-S391 PolarHBondContact SD-OG 2.92Å; V387-S391 PolarHBondContact O-N 3.27Å; V387-S391 PolarHBondContact O-OG 3.28Å; A388-S391 PolarHBondContact O-N 3.48Å; L389-S391 PolarHBondContact O-N 3.34Å; S391-Q393 VanDerWaalsContact C-N 3.34Å; S391-Q393 PolarHBondContact O-N 2.82Å; S391-K394 PolarHBondContact O-N 3.37Å; S391-C395 PolarHBondContact O-N 3.37Å; S391-C395 PolarHBondContact O-SG 3.29Å
392	L	92.2	Very high	88.7	Confident	60 Å²	60	36.3 Å²	36.3	31%	0.314	16%	0.161	S	C	.	.	H	α-helix	trans	-60.9	-41.1	177.2	-175.9	63.1	0	0	0	112	L329 A388 L389 C395 Y396 L415	L329-L392 HydrophobicContact CD2-CD1 4.24Å; A388-L392 WeakPolarHBondContact O-CB 3.17Å; A388-L392 PolarHBondContact O-N 3.11Å; L389-L392 PolarHBondContact O-N 3.08Å; L392-C395 PolarHBondContact O-N 2.79Å; L392-Y396 WeakPolarHBondContact O-CB 3.18Å; L392-Y396 PolarHBondContact O-N 3.48Å; L392-L415 HydrophobicContact CD2-CD2 4.01Å; L392-L415 HydrophobicContact CG-CD2 3.96Å
393	Q	90.9	Very high	86.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-40.8	174.1	-76.6	-177.5	-83.2	0	0	112.9	H170 L389 S391 H397 Y408 S412 L415	H170-Q393 PolarHBondContact NE2-NE2 2.81Å; H170-Q393 PolarHBondContact NE2-OE1 2.84Å; L389-Q393 WeakPolarHBondContact O-CB 3.41Å; L389-Q393 VanDerWaalsContact O-CG 3.27Å; L389-Q393 WeakPolarHBondContact O-CG 3.36Å; L389-Q393 PolarHBondContact O-N 2.71Å; S391-Q393 VanDerWaalsContact C-N 3.34Å; S391-Q393 PolarHBondContact O-N 2.82Å; Q393-H397 WeakPolarHBondContact O-CB 3.21Å; Q393-H397 PolarHBondContact O-N 2.96Å; Q393-Y408 HydrophobicContact CB-CD2 4.08Å; Q393-Y408 HydrophobicContact CB-CE2 4.26Å; Q393-S412 WeakPolarHBondContact CB-OG 3.12Å; Q393-S412 PolarHBondContact NE2-O 3.35Å; Q393-S412 PolarHBondContact NE2-OG 2.98Å; Q393-L415 HydrophobicContact CG-CD2 4.08Å
394	K	86.9	Confident	84.6	Confident	42 Å²	42	53 Å²	53	18%	0.183	23%	0.226	C	C	.	.	H	α-helix	trans	-66.5	-44.6	174.6	-68.9	161.6	-174.4	173.6	0	111.7	M333 S390 S391 Y396 H397 F398 Y408	M333-K394 HydrophobicContact CG-CB 4.21Å; M333-K394 HydrophobicContact CG-CD 4.05Å; M333-K394 HydrophobicContact SD-CD 3.41Å; M333-K394 WeakPolarHBondContact SD-CD 3.45Å; S390-K394 WeakPolarHBondContact O-CD 3.38Å; S390-K394 VanDerWaalsContact O-CG 3.26Å; S390-K394 WeakPolarHBondContact O-CG 3.47Å; S390-K394 PolarHBondContact O-N 2.76Å; S390-K394 VanDerWaalsContact O-N 3.08Å; S391-K394 PolarHBondContact O-N 3.37Å; K394-Y396 PolarHBondContact O-N 3.16Å; K394-H397 PolarHBondContact O-N 2.65Å; K394-F398 WeakPolarHBondContact O-CB 3.23Å; K394-F398 PolarHBondContact O-N 3.22Å; K394-Y408 HydrophobicContact CG-CD1 3.9Å; K394-Y408 HydrophobicContact CG-CD2 3.74Å; K394-Y408 HydrophobicContact CG-CE1 4.02Å; K394-Y408 HydrophobicContact CG-CE2 3.87Å; K394-Y408 HydrophobicContact CG-CG 3.78Å
395	C	87.2	Confident	82.7	Confident	7 Å²	7	61.9 Å²	61.9	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-45.5	175.4	-66.4	0	0	0	0	111.3	L336 S391 L392 F398 L399	L336-C395 HydrophobicContact CD1-CB 4.22Å; S391-C395 PolarHBondContact O-N 3.37Å; S391-C395 PolarHBondContact O-SG 3.29Å; L392-C395 PolarHBondContact O-N 2.79Å; C395-F398 PolarHBondContact O-N 2.92Å; C395-L399 WeakPolarHBondContact O-CB 3.35Å; C395-L399 VanDerWaalsContact O-CG 3.24Å; C395-L399 WeakPolarHBondContact O-CG 3.38Å; C395-L399 PolarHBondContact O-N 3.4Å
396	Y	87.1	Confident	80.9	Confident	72 Å²	72	65.7 Å²	65.7	28%	0.282	29%	0.29	S	S	.	.	H	α-helix	trans	-58.5	-50.2	174.9	177.9	-91	0	0	0	111.8	L392 K394 F398 L399 F400 W414	L392-Y396 WeakPolarHBondContact O-CB 3.18Å; L392-Y396 PolarHBondContact O-N 3.48Å; K394-Y396 PolarHBondContact O-N 3.16Å; Y396-F398 PolarHBondContact O-N 3.05Å; Y396-L399 PolarHBondContact O-N 3.34Å; Y396-F400 AromaticContact CD2-CD2 3.43Å; Y396-F400 HydrophobicContact CD2-CD2 3.43Å; Y396-F400 VanDerWaalsContact CD2-CD2 3.43Å; Y396-F400 AromaticContact CD2-CE2 3.68Å; Y396-F400 HydrophobicContact CD2-CE2 3.68Å; Y396-F400 AromaticContact CE2-CD2 3.52Å; Y396-F400 HydrophobicContact CE2-CD2 3.52Å; Y396-F400 AromaticContact CE2-CE2 3.86Å; Y396-F400 HydrophobicContact CE2-CE2 3.86Å; Y396-F400 HydrophobicContact CE2-CG 4.26Å; Y396-F400 HydrophobicContact CG-CD2 4Å; Y396-F400 WeakPolarHBondContact O-CD2 3.38Å; Y396-F400 PolarHBondContact O-N 2.9Å; Y396-W414 AromaticContact CE1-NE1 3.7Å; Y396-W414 AromaticContact CE2-CZ2 3.91Å; Y396-W414 HydrophobicContact CE2-CZ2 3.91Å; Y396-W414 AromaticContact CZ-CZ2 3.93Å; Y396-W414 AromaticContact CZ-NE1 3.69Å
397	H	83.8	Confident	79.2	Confident	26 Å²	26	69.2 Å²	69.2	12%	0.12	31%	0.306	C	S	.	.	H	α-helix	trans	-58	-46.7	177.8	178.2	74	0	0	0	112.2	Q393 K394 L399 Q401 S411	Q393-H397 WeakPolarHBondContact O-CB 3.21Å; Q393-H397 PolarHBondContact O-N 2.96Å; K394-H397 PolarHBondContact O-N 2.65Å; H397-L399 PolarHBondContact O-N 3.49Å; H397-Q401 CarbonylContact O-C 3.52Å; H397-Q401 WeakPolarHBondContact O-CA 3.49Å; H397-Q401 PolarHBondContact O-N 3.49Å; H397-S411 WeakPolarHBondContact CB-OG 3.38Å; H397-S411 PolarHBondContact ND1-OG 3.06Å
398	F	80.3	Confident	77.7	Confident	51 Å²	51	70.7 Å²	70.7	22%	0.224	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-42.1	179.6	-179.1	-94.3	0	0	0	113.1	L336 F340 K394 C395 Y396	L336-F398 HydrophobicContact CB-CD1 4.11Å; L336-F398 HydrophobicContact CB-CE1 4.12Å; L336-F398 HydrophobicContact CD1-CD1 4.34Å; L336-F398 HydrophobicContact CD2-CD1 4.15Å; L336-F398 HydrophobicContact CD2-CE1 3.89Å; L336-F398 HydrophobicContact CG-CD1 4.43Å; L336-F398 HydrophobicContact CG-CE1 4.49Å; F340-F398 HydrophobicContact CD2-CE2 4.34Å; F340-F398 AromaticContact CE2-CE2 3.97Å; F340-F398 HydrophobicContact CE2-CE2 3.97Å; F340-F398 HydrophobicContact CE2-CZ 4.43Å; K394-F398 WeakPolarHBondContact O-CB 3.23Å; K394-F398 PolarHBondContact O-N 3.22Å; C395-F398 PolarHBondContact O-N 2.92Å; Y396-F398 PolarHBondContact O-N 3.05Å
399	L	82.4	Confident	76.3	Confident	107 Å²	107	71.6 Å²	71.6	56%	0.56	32%	0.317	S	S	*	.	H	α-helix	trans	-73.9	-39.7	-178.1	-68.9	170.2	0	0	0	112.7	C395 Y396 H397	C395-L399 WeakPolarHBondContact O-CB 3.35Å; C395-L399 VanDerWaalsContact O-CG 3.24Å; C395-L399 WeakPolarHBondContact O-CG 3.38Å; C395-L399 PolarHBondContact O-N 3.4Å; Y396-L399 PolarHBondContact O-N 3.34Å; H397-L399 PolarHBondContact O-N 3.49Å
400	F	78.8	Confident	75.1	Confident	145 Å²	145	76.1 Å²	76.1	64%	0.636	35%	0.345	S	S	*	.	H	α-helix	trans	-106.4	-14.3	-170.2	-63.5	-72.8	0	0	0	115.4	Y396	Y396-F400 AromaticContact CD2-CD2 3.43Å; Y396-F400 HydrophobicContact CD2-CD2 3.43Å; Y396-F400 VanDerWaalsContact CD2-CD2 3.43Å; Y396-F400 AromaticContact CD2-CE2 3.68Å; Y396-F400 HydrophobicContact CD2-CE2 3.68Å; Y396-F400 AromaticContact CE2-CD2 3.52Å; Y396-F400 HydrophobicContact CE2-CD2 3.52Å; Y396-F400 AromaticContact CE2-CE2 3.86Å; Y396-F400 HydrophobicContact CE2-CE2 3.86Å; Y396-F400 HydrophobicContact CE2-CG 4.26Å; Y396-F400 HydrophobicContact CG-CD2 4Å; Y396-F400 WeakPolarHBondContact O-CD2 3.38Å; Y396-F400 PolarHBondContact O-N 2.9Å
401	Q	68.8	Low	73.8	Confident	63 Å²	63	76.7 Å²	76.7	29%	0.294	35%	0.349	S	S	.	.	S	Bend	trans	-130.5	37.1	179.2	-66.3	-159.2	-5.8	0	0	113.7	H397 Y403 R404	H397-Q401 CarbonylContact O-C 3.52Å; H397-Q401 WeakPolarHBondContact O-CA 3.49Å; H397-Q401 PolarHBondContact O-N 3.49Å; Q401-Y403 PolarHBondContact O-N 3.33Å; Q401-R404 PolarHBondContact O-N 3.42Å
402	R	59.2	Low	73.2	Confident	183 Å²	183	76.7 Å²	76.7	69%	0.691	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.2	132.3	169.8	-158.7	177.2	177.3	163.7	-2.6	110.7
403	Y	54.5	Low	72.9	Confident	207 Å²	207	77.4 Å²	77.4	81%	0.812	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	7.5	-177.9	-51.5	-80	0	0	0	118.8	Q401	Q401-Y403 PolarHBondContact O-N 3.33Å
404	R	57.5	Low	72.8	Confident	146 Å²	146	83.6 Å²	83.6	55%	0.551	38%	0.376	S	S	*	.			trans	-89.8	141.6	163.8	-74	-165.3	169.6	-145.3	-4.8	112.4	Q401 E406	Q401-R404 PolarHBondContact O-N 3.42Å; R404-E406 VanDerWaalsContact C-N 3.35Å; R404-E406 VanDerWaalsContact CD-OE2 3.3Å; R404-E406 WeakPolarHBondContact CD-OE2 3.35Å; R404-E406 IonicContact CZ-OE1 2.68Å; R404-E406 IonicContact CZ-OE2 3.25Å; R404-E406 IonicContact NE-OE2 2.76Å; R404-E406 IonicContact NH1-OE1 3.34Å; R404-E406 PolarHBondContact NH1-OE1 3.12Å; R404-E406 IonicContact NH1-OE2 2.97Å; R404-E406 PolarHBondContact NH1-OE2 3.17Å
405	L	56.9	Low	72.9	Confident	187 Å²	187	83 Å²	83	98%	0.979	38%	0.375	S	S	*	.			trans	-89.9	3.2	172.5	-71.6	169.9	0	0	0	113.2
406	E	59.9	Low	73.1	Confident	81 Å²	81	82.9 Å²	82.9	38%	0.379	37%	0.374	S	S	.	.	S	Bend	trans	-71.2	142.6	179.8	-65.7	174	162.5	0	0	111.1	R404 Y408 V410	R404-E406 VanDerWaalsContact C-N 3.35Å; R404-E406 VanDerWaalsContact CD-OE2 3.3Å; R404-E406 WeakPolarHBondContact CD-OE2 3.35Å; R404-E406 IonicContact CZ-OE1 2.68Å; R404-E406 IonicContact CZ-OE2 3.25Å; R404-E406 IonicContact NE-OE2 2.76Å; R404-E406 IonicContact NH1-OE1 3.34Å; R404-E406 PolarHBondContact NH1-OE1 3.12Å; R404-E406 IonicContact NH1-OE2 2.97Å; R404-E406 PolarHBondContact NH1-OE2 3.17Å; E406-Y408 PolarHBondContact O-N 3.02Å; E406-V410 HydrophobicContact CB-CB 4.45Å; E406-V410 HydrophobicContact CB-CG2 4.48Å
407	H	62.1	Low	73.4	Confident	73 Å²	73	84.2 Å²	84.2	34%	0.338	39%	0.386	S	S	.	.			trans	-61	130.9	177.3	-175	-94.4	0	0	0	110.8	V55 T409 V410	V55-H407 WeakPolarHBondContact CG2-CE1 3.5Å; H407-T409 PolarHBondContact ND1-OG1 3.14Å; H407-T409 PolarHBondContact O-N 2.85Å; H407-V410 WeakPolarHBondContact O-CG2 3.45Å; H407-V410 PolarHBondContact O-N 2.85Å
408	Y	66.4	Low	74	Confident	34 Å²	34	87.1 Å²	87.1	13%	0.133	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-28.6	-168.8	66.8	-88.1	0	0	0	115.6	H170 S390 Q393 K394 E406 V410 S411 S412	H170-Y408 AromaticContact CD2-CE2 3.86Å; H170-Y408 PolarHBondContact CD2-OH 2.74Å; S390-Y408 PolarHBondContact OG-OH 2.95Å; Q393-Y408 HydrophobicContact CB-CD2 4.08Å; Q393-Y408 HydrophobicContact CB-CE2 4.26Å; K394-Y408 HydrophobicContact CG-CD1 3.9Å; K394-Y408 HydrophobicContact CG-CD2 3.74Å; K394-Y408 HydrophobicContact CG-CE1 4.02Å; K394-Y408 HydrophobicContact CG-CE2 3.87Å; K394-Y408 HydrophobicContact CG-CG 3.78Å; E406-Y408 PolarHBondContact O-N 3.02Å; Y408-V410 PolarHBondContact O-N 3.43Å; Y408-S411 PolarHBondContact O-N 3.22Å; Y408-S411 PolarHBondContact O-OG 2.89Å; Y408-S411 VanDerWaalsContact O-OG 3.11Å; Y408-S412 WeakPolarHBondContact O-CB 3.39Å; Y408-S412 PolarHBondContact O-N 3.27Å; Y408-S412 PolarHBondContact O-OG 3.24Å
409	T	67.9	Low	74.7	Confident	18 Å²	18	85.7 Å²	85.7	11%	0.11	40%	0.401	C	S	.	.	H	α-helix	trans	-58.7	-31.7	175.3	52.6	0	0	0	0	113.3	H407 S411 S412 N413	H407-T409 PolarHBondContact ND1-OG1 3.14Å; H407-T409 PolarHBondContact O-N 2.85Å; T409-S411 VanDerWaalsContact C-N 3.32Å; T409-S411 PolarHBondContact O-N 2.69Å; T409-S412 PolarHBondContact O-N 3.23Å; T409-N413 WeakPolarHBondContact O-CA 3.37Å; T409-N413 VanDerWaalsContact O-CB 3.27Å; T409-N413 WeakPolarHBondContact O-CB 3.2Å; T409-N413 PolarHBondContact O-N 2.7Å
410	V	69.3	Low	75.4	Confident	95 Å²	95	82 Å²	82	58%	0.576	38%	0.383	S	S	*	.	H	α-helix	trans	-59.1	-44	-179.7	177.7	0	0	0	0	110.9	E406 H407 Y408	E406-V410 HydrophobicContact CB-CB 4.45Å; E406-V410 HydrophobicContact CB-CG2 4.48Å; H407-V410 WeakPolarHBondContact O-CG2 3.45Å; H407-V410 PolarHBondContact O-N 2.85Å; Y408-V410 PolarHBondContact O-N 3.43Å
411	S	65.8	Low	76.3	Confident	13 Å²	13	78.7 Å²	78.7	9%	0.091	37%	0.374	C	S	.	.	H	α-helix	trans	-80.4	-21	-179.5	76.6	0	0	0	0	114.5	H397 Y408 T409	H397-S411 WeakPolarHBondContact CB-OG 3.38Å; H397-S411 PolarHBondContact ND1-OG 3.06Å; Y408-S411 PolarHBondContact O-N 3.22Å; Y408-S411 PolarHBondContact O-OG 2.89Å; Y408-S411 VanDerWaalsContact O-OG 3.11Å; T409-S411 VanDerWaalsContact C-N 3.32Å; T409-S411 PolarHBondContact O-N 2.69Å
412	S	80	Confident	77.6	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-124.6	7.9	-163.9	66.2	0	0	0	0	113.7	Q393 Y408 T409 W414 L415	Q393-S412 WeakPolarHBondContact CB-OG 3.12Å; Q393-S412 PolarHBondContact NE2-O 3.35Å; Q393-S412 PolarHBondContact NE2-OG 2.98Å; Y408-S412 WeakPolarHBondContact O-CB 3.39Å; Y408-S412 PolarHBondContact O-N 3.27Å; Y408-S412 PolarHBondContact O-OG 3.24Å; T409-S412 PolarHBondContact O-N 3.23Å; S412-W414 PolarHBondContact O-N 2.99Å; S412-L415 PolarHBondContact O-N 3.15Å
413	N	85.3	Confident	79.5	Confident	75 Å²	75	68.9 Å²	68.9	40%	0.401	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-30.2	178.9	-164	61.2	0	0	0	112.1	T409 L415 A416 L417	T409-N413 WeakPolarHBondContact O-CA 3.37Å; T409-N413 VanDerWaalsContact O-CB 3.27Å; T409-N413 WeakPolarHBondContact O-CB 3.2Å; T409-N413 PolarHBondContact O-N 2.7Å; N413-L415 VanDerWaalsContact C-N 3.3Å; N413-L415 PolarHBondContact O-N 2.99Å; N413-A416 PolarHBondContact O-N 3.43Å; N413-L417 VanDerWaalsContact O-CB 3.28Å; N413-L417 WeakPolarHBondContact O-CB 3.25Å; N413-L417 PolarHBondContact O-N 3.04Å
414	W	88.1	Confident	81.5	Confident	131 Å²	131	60.7 Å²	60.7	50%	0.496	31%	0.314	S	S	.	.	H	α-helix	trans	-57.5	-43.5	175.6	73.6	-96.9	0	0	0	111.4	Y396 S412 L417 T418	Y396-W414 AromaticContact CE1-NE1 3.7Å; Y396-W414 AromaticContact CE2-CZ2 3.91Å; Y396-W414 HydrophobicContact CE2-CZ2 3.91Å; Y396-W414 AromaticContact CZ-CZ2 3.93Å; Y396-W414 AromaticContact CZ-NE1 3.69Å; S412-W414 PolarHBondContact O-N 2.99Å; W414-L417 PolarHBondContact O-N 2.89Å; W414-T418 WeakPolarHBondContact O-CB 3.46Å; W414-T418 PolarHBondContact O-N 3.36Å; W414-T418 PolarHBondContact O-OG1 3.42Å; W414-T418 VanDerWaalsContact O-OG1 3.12Å
415	L	90.2	Very high	83.5	Confident	29 Å²	29	58.2 Å²	58.2	15%	0.152	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-48.3	-179	-179.6	61.5	0	0	0	110.4	L389 L392 Q393 S412 N413 L417 T419	L389-L415 HydrophobicContact CD1-CG 4.22Å; L392-L415 HydrophobicContact CD2-CD2 4.01Å; L392-L415 HydrophobicContact CG-CD2 3.96Å; Q393-L415 HydrophobicContact CG-CD2 4.08Å; S412-L415 PolarHBondContact O-N 3.15Å; N413-L415 VanDerWaalsContact C-N 3.3Å; N413-L415 PolarHBondContact O-N 2.99Å; L415-L417 PolarHBondContact O-N 3Å; L415-T419 WeakPolarHBondContact O-CB 3.45Å; L415-T419 PolarHBondContact O-N 2.93Å; L415-T419 PolarHBondContact O-OG1 3.24Å; L415-T419 VanDerWaalsContact O-OG1 3.08Å
416	A	91.7	Very high	85.4	Confident	4 Å²	4	52.5 Å²	52.5	3%	0.033	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-40.9	175	0	0	0	0	0	112.9	L174 L389 N413 V420	L174-A416 HydrophobicContact CD2-CB 4.17Å; L389-A416 HydrophobicContact CD2-CB 4.28Å; N413-A416 PolarHBondContact O-N 3.43Å; A416-V420 WeakPolarHBondContact O-CB 3.46Å; A416-V420 VanDerWaalsContact O-CG2 3.26Å; A416-V420 WeakPolarHBondContact O-CG2 3.43Å; A416-V420 PolarHBondContact O-N 3.37Å
417	L	93.1	Very high	87.2	Confident	101 Å²	101	48.6 Å²	48.6	53%	0.529	27%	0.267	S	S	.	.	H	α-helix	trans	-65.4	-50.6	179.5	-179	61.8	0	0	0	111.4	N413 W414 L415 T419 V420 V421	N413-L417 VanDerWaalsContact O-CB 3.28Å; N413-L417 WeakPolarHBondContact O-CB 3.25Å; N413-L417 PolarHBondContact O-N 3.04Å; W414-L417 PolarHBondContact O-N 2.89Å; L415-L417 PolarHBondContact O-N 3Å; L417-T419 VanDerWaalsContact C-N 3.33Å; L417-T419 PolarHBondContact O-N 3.39Å; L417-V420 PolarHBondContact O-N 2.87Å; L417-V421 HydrophobicContact CD1-CG2 4.05Å; L417-V421 HydrophobicContact CG-CG2 4.46Å; L417-V421 WeakPolarHBondContact O-CB 3.41Å; L417-V421 VanDerWaalsContact O-CG2 3.28Å; L417-V421 WeakPolarHBondContact O-CG2 3.41Å; L417-V421 PolarHBondContact O-N 3.47Å
418	T	95.1	Very high	88.9	Confident	87 Å²	87	49.1 Å²	49.1	53%	0.534	27%	0.272	S	S	.	.	H	α-helix	trans	-59.8	-43.8	176.2	-61.2	0	0	0	0	111.2	W414 V421 A422	W414-T418 WeakPolarHBondContact O-CB 3.46Å; W414-T418 PolarHBondContact O-N 3.36Å; W414-T418 PolarHBondContact O-OG1 3.42Å; W414-T418 VanDerWaalsContact O-OG1 3.12Å; T418-V421 PolarHBondContact O-N 2.99Å; T418-A422 VanDerWaalsContact O-CB 3.26Å; T418-A422 WeakPolarHBondContact O-CB 3.39Å; T418-A422 PolarHBondContact O-N 3.39Å
419	T	96.3	Very high	90.4	Very high	20 Å²	20	48.4 Å²	48.4	12%	0.123	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-49.7	174.6	-77.1	0	0	0	0	112.4	F178 L318 L322 L389 L415 L417 F423	F178-T419 HydrophobicContact CE1-CG2 4.48Å; F178-T419 HydrophobicContact CZ-CG2 4.15Å; L318-T419 HydrophobicContact CD1-CG2 3.65Å; L322-T419 HydrophobicContact CD1-CG2 4.19Å; L389-T419 HydrophobicContact CD1-CG2 3.97Å; L389-T419 HydrophobicContact CD2-CG2 3.45Å; L389-T419 VanDerWaalsContact CD2-CG2 3.45Å; L389-T419 HydrophobicContact CG-CG2 4.33Å; L415-T419 WeakPolarHBondContact O-CB 3.45Å; L415-T419 PolarHBondContact O-N 2.93Å; L415-T419 PolarHBondContact O-OG1 3.24Å; L415-T419 VanDerWaalsContact O-OG1 3.08Å; L417-T419 VanDerWaalsContact C-N 3.33Å; L417-T419 PolarHBondContact O-N 3.39Å; T419-F423 VanDerWaalsContact O-CB 3.23Å; T419-F423 WeakPolarHBondContact O-CB 3.45Å; T419-F423 PolarHBondContact O-N 3.17Å
420	V	96.4	Very high	91.8	Very high	29 Å²	29	48.9 Å²	48.9	18%	0.176	27%	0.272	C	S	.	.	H	α-helix	trans	-68.2	-41.2	-179.6	171.2	0	0	0	0	111.3	L174 A177 F178 A416 L417 F423 T424	L174-V420 HydrophobicContact CD2-CG2 4.05Å; A177-V420 HydrophobicContact CB-CG1 4.29Å; F178-V420 HydrophobicContact CE1-CG2 3.93Å; F178-V420 HydrophobicContact CZ-CG2 4.43Å; A416-V420 WeakPolarHBondContact O-CB 3.46Å; A416-V420 VanDerWaalsContact O-CG2 3.26Å; A416-V420 WeakPolarHBondContact O-CG2 3.43Å; A416-V420 PolarHBondContact O-N 3.37Å; L417-V420 PolarHBondContact O-N 2.87Å; V420-F423 PolarHBondContact O-N 3.35Å; V420-T424 WeakPolarHBondContact O-CB 3.48Å; V420-T424 PolarHBondContact O-N 3.33Å; V420-T424 PolarHBondContact O-OG1 2.96Å
421	V	97.3	Very high	93.1	Very high	77 Å²	77	44.9 Å²	44.9	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-64.1	-48.4	177.6	170	0	0	0	0	111.3	L417 T418 F423 T424 V425	L417-V421 HydrophobicContact CD1-CG2 4.05Å; L417-V421 HydrophobicContact CG-CG2 4.46Å; L417-V421 WeakPolarHBondContact O-CB 3.41Å; L417-V421 VanDerWaalsContact O-CG2 3.28Å; L417-V421 WeakPolarHBondContact O-CG2 3.41Å; L417-V421 PolarHBondContact O-N 3.47Å; T418-V421 PolarHBondContact O-N 2.99Å; V421-F423 VanDerWaalsContact C-N 3.33Å; V421-F423 PolarHBondContact O-N 2.99Å; V421-T424 WeakPolarHBondContact O-CB 3.25Å; V421-T424 PolarHBondContact O-N 2.89Å; V421-V425 WeakPolarHBondContact O-CG2 3.47Å; V421-V425 PolarHBondContact O-N 3.49Å
422	A	97.5	Very high	94.6	Very high	39 Å²	39	47.1 Å²	47.1	32%	0.322	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-41.8	177.6	0	0	0	0	0	111.8	L318 T418 L426	L318-A422 HydrophobicContact CD2-CB 3.77Å; T418-A422 VanDerWaalsContact O-CB 3.26Å; T418-A422 WeakPolarHBondContact O-CB 3.39Å; T418-A422 PolarHBondContact O-N 3.39Å; A422-L426 WeakPolarHBondContact O-CB 3.21Å; A422-L426 WeakPolarHBondContact O-CG 3.48Å; A422-L426 PolarHBondContact O-N 3.01Å; A422-L426 VanDerWaalsContact O-N 3.09Å
423	F	98.1	Very high	95.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-42.4	173.4	177.1	-95.5	0	0	0	112.7	F178 L181 F316 N317 L318 V319 T419 V420 V421 S427	F178-F423 HydrophobicContact CB-CE1 4.28Å; F178-F423 HydrophobicContact CB-CZ 4.25Å; F178-F423 AromaticContact CD1-CD1 3.8Å; F178-F423 HydrophobicContact CD1-CD1 3.8Å; F178-F423 AromaticContact CD1-CE1 3.87Å; F178-F423 HydrophobicContact CD1-CE1 3.87Å; F178-F423 HydrophobicContact CD1-CG 4.17Å; F178-F423 HydrophobicContact CD1-CZ 4.25Å; F178-F423 HydrophobicContact CE1-CD1 4.35Å; F178-F423 HydrophobicContact CE1-CG 4.38Å; F178-F423 HydrophobicContact CG-CE1 4.5Å; L181-F423 HydrophobicContact CB-CD1 4.36Å; L181-F423 HydrophobicContact CB-CE1 3.96Å; F316-F423 HydrophobicContact CB-CE2 4.5Å; F316-F423 VanDerWaalsContact O-CE2 3.29Å; F316-F423 WeakPolarHBondContact O-CE2 3.48Å; N317-F423 HydrophobicContact CB-CD2 4.4Å; L318-F423 HydrophobicContact CD1-CB 4.35Å; L318-F423 HydrophobicContact CD2-CB 4.42Å; L318-F423 HydrophobicContact CG-CB 4.44Å; V319-F423 HydrophobicContact CB-CD2 3.94Å; V319-F423 HydrophobicContact CB-CE2 3.77Å; V319-F423 HydrophobicContact CG2-CB 4.41Å; V319-F423 HydrophobicContact CG2-CD2 3.28Å; V319-F423 HydrophobicContact CG2-CE2 3.53Å; V319-F423 HydrophobicContact CG2-CG 3.89Å; V319-F423 HydrophobicContact CG2-CZ 4.34Å; T419-F423 VanDerWaalsContact O-CB 3.23Å; T419-F423 WeakPolarHBondContact O-CB 3.45Å; T419-F423 PolarHBondContact O-N 3.17Å; V420-F423 PolarHBondContact O-N 3.35Å; V421-F423 VanDerWaalsContact C-N 3.33Å; V421-F423 PolarHBondContact O-N 2.99Å; F423-S427 VanDerWaalsContact O-CB 3.29Å; F423-S427 WeakPolarHBondContact O-CB 3.18Å; F423-S427 PolarHBondContact O-N 3.42Å; F423-S427 PolarHBondContact O-OG 3.05Å
424	T	97.6	Very high	95.9	Very high	35 Å²	35	45 Å²	45	22%	0.215	25%	0.25	C	S	.	.	H	α-helix	trans	-59.4	-51.2	177.6	-55.4	0	0	0	0	110.6	L181 V420 V421 L426 L428	L181-T424 HydrophobicContact CD1-CG2 4.15Å; L181-T424 WeakPolarHBondContact CD1-OG1 3.23Å; L181-T424 HydrophobicContact CD2-CG2 4.39Å; V420-T424 WeakPolarHBondContact O-CB 3.48Å; V420-T424 PolarHBondContact O-N 3.33Å; V420-T424 PolarHBondContact O-OG1 2.96Å; V421-T424 WeakPolarHBondContact O-CB 3.25Å; V421-T424 PolarHBondContact O-N 2.89Å; T424-L426 PolarHBondContact O-N 2.74Å; T424-L428 HydrophobicContact CG2-CD1 3.72Å; T424-L428 HydrophobicContact CG2-CG 4.35Å; T424-L428 VanDerWaalsContact O-CB 3.31Å; T424-L428 WeakPolarHBondContact O-CB 3.41Å; T424-L428 VanDerWaalsContact O-CG 3.29Å; T424-L428 WeakPolarHBondContact O-CG 3.35Å; T424-L428 PolarHBondContact O-N 3.48Å
425	V	97.6	Very high	96.3	Very high	95 Å²	95	42.3 Å²	42.3	58%	0.576	24%	0.243	S	C	*	.	H	α-helix	trans	-61.2	-48.1	-178.6	172.6	0	0	0	0	110.7	V421 S429	V421-V425 WeakPolarHBondContact O-CG2 3.47Å; V421-V425 PolarHBondContact O-N 3.49Å; V425-S429 WeakPolarHBondContact O-CB 3.39Å; V425-S429 PolarHBondContact O-N 3.32Å
426	L	97.7	Very high	96.6	Very high	66 Å²	66	46.3 Å²	46.3	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-67.4	-45.9	-178.4	-68.2	171.3	0	0	0	112.8	N317 A422 T424 S429 R430 F581	N317-L426 HydrophobicContact CB-CB 4.3Å; N317-L426 HydrophobicContact CB-CD1 4.05Å; A422-L426 WeakPolarHBondContact O-CB 3.21Å; A422-L426 WeakPolarHBondContact O-CG 3.48Å; A422-L426 PolarHBondContact O-N 3.01Å; A422-L426 VanDerWaalsContact O-N 3.09Å; T424-L426 PolarHBondContact O-N 2.74Å; L426-S429 PolarHBondContact O-N 2.9Å; L426-R430 WeakPolarHBondContact O-CB 3.33Å; L426-R430 PolarHBondContact O-N 3.18Å; L426-F581 HydrophobicContact CB-CE1 4.14Å; L426-F581 HydrophobicContact CD2-CD1 4.26Å; L426-F581 HydrophobicContact CD2-CE1 4.2Å; L426-F581 WeakPolarHBondContact O-CD1 3.39Å; L426-F581 WeakPolarHBondContact O-CE1 3.4Å
427	S	98	Very high	96.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-69.6	-38.8	-178.4	-57.6	0	0	0	0	112.7	L181 T183 N317 F423 R430 S431	L181-S427 WeakPolarHBondContact O-CB 3.42Å; T183-S427 PolarHBondContact OG1-O 3.42Å; N317-S427 PolarHBondContact ND2-N 3.08Å; N317-S427 PolarHBondContact ND2-OG 3.36Å; F423-S427 VanDerWaalsContact O-CB 3.29Å; F423-S427 WeakPolarHBondContact O-CB 3.18Å; F423-S427 PolarHBondContact O-N 3.42Å; F423-S427 PolarHBondContact O-OG 3.05Å; S427-R430 PolarHBondContact O-N 3.01Å; S427-S431 WeakPolarHBondContact O-CB 3.39Å; S427-S431 PolarHBondContact O-N 2.96Å; S427-S431 PolarHBondContact O-OG 2.86Å
428	L	96.9	Very high	96.9	Very high	84 Å²	84	43.8 Å²	43.8	44%	0.44	24%	0.239	S	C	.	.	H	α-helix	trans	-69.2	-40.2	173.3	-65.9	179.8	0	0	0	111.5	T424 R430 S431 V432	T424-L428 HydrophobicContact CG2-CD1 3.72Å; T424-L428 HydrophobicContact CG2-CG 4.35Å; T424-L428 VanDerWaalsContact O-CB 3.31Å; T424-L428 WeakPolarHBondContact O-CB 3.41Å; T424-L428 VanDerWaalsContact O-CG 3.29Å; T424-L428 WeakPolarHBondContact O-CG 3.35Å; T424-L428 PolarHBondContact O-N 3.48Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-R430 PolarHBondContact O-N 2.95Å; L428-S431 PolarHBondContact O-N 2.84Å; L428-V432 WeakPolarHBondContact O-CB 3.46Å; L428-V432 WeakPolarHBondContact O-CG2 3.46Å; L428-V432 PolarHBondContact O-N 3.39Å
429	S	97.9	Very high	96.9	Very high	18 Å²	18	40.5 Å²	40.5	13%	0.126	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-41.7	173.4	175.2	0	0	0	0	112.3	V425 L426 A433 F581 Y582	V425-S429 WeakPolarHBondContact O-CB 3.39Å; V425-S429 PolarHBondContact O-N 3.32Å; L426-S429 PolarHBondContact O-N 2.9Å; S429-A433 WeakPolarHBondContact O-CB 3.26Å; S429-A433 PolarHBondContact O-N 3.41Å; S429-F581 WeakPolarHBondContact OG-CB 3.29Å; S429-Y582 WeakPolarHBondContact CB-O 3.49Å; S429-Y582 WeakPolarHBondContact O-CB 3.29Å; S429-Y582 PolarHBondContact O-N 2.91Å; S429-Y582 PolarHBondContact OG-N 3.28Å; S429-Y582 PolarHBondContact OG-O 3.19Å
430	R	97.4	Very high	97	Very high	28 Å²	28	39.8 Å²	39.8	11%	0.106	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-45.6	173.7	175.6	62.9	177.7	149.3	0	112.4	T183 L426 S427 L428 V432 A433 L434 A580 F581	T183-R430 HydrophobicContact CG2-CB 4.19Å; T183-R430 HydrophobicContact CG2-CG 3.41Å; T183-R430 VanDerWaalsContact CG2-CG 3.41Å; T183-R430 WeakPolarHBondContact OG1-CG 3.41Å; L426-R430 WeakPolarHBondContact O-CB 3.33Å; L426-R430 PolarHBondContact O-N 3.18Å; S427-R430 PolarHBondContact O-N 3.01Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-R430 PolarHBondContact O-N 2.95Å; R430-V432 VanDerWaalsContact C-N 3.34Å; R430-V432 PolarHBondContact O-N 2.81Å; R430-A433 WeakPolarHBondContact O-CB 3.44Å; R430-A433 PolarHBondContact O-N 2.97Å; R430-L434 HydrophobicContact CG-CD1 4.43Å; R430-L434 PolarHBondContact O-N 3.13Å; R430-A580 WeakPolarHBondContact CD-O 3.39Å; R430-A580 PolarHBondContact NH1-O 2.93Å; R430-F581 HydrophobicContact CB-CD1 3.96Å; R430-F581 HydrophobicContact CB-CE1 3.91Å
431	S	97.6	Very high	97	Very high	12 Å²	12	39 Å²	39	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-39.9	179.8	-57.4	0	0	0	0	111.8	S427 L428 L434 F435	S427-S431 WeakPolarHBondContact O-CB 3.39Å; S427-S431 PolarHBondContact O-N 2.96Å; S427-S431 PolarHBondContact O-OG 2.86Å; L428-S431 PolarHBondContact O-N 2.84Å; S431-L434 PolarHBondContact O-N 3.19Å; S431-F435 PolarHBondContact O-N 3.06Å
432	V	97.1	Very high	96.9	Very high	60 Å²	60	35.6 Å²	35.6	36%	0.364	19%	0.188	S	C	.	.	H	α-helix	trans	-68.5	-36.5	174.3	174	0	0	0	0	111.9	L428 R430 F435 R436 Y582	L428-V432 WeakPolarHBondContact O-CB 3.46Å; L428-V432 WeakPolarHBondContact O-CG2 3.46Å; L428-V432 PolarHBondContact O-N 3.39Å; R430-V432 VanDerWaalsContact C-N 3.34Å; R430-V432 PolarHBondContact O-N 2.81Å; V432-F435 PolarHBondContact O-N 3.34Å; V432-R436 HydrophobicContact CG1-CG 4.11Å; V432-R436 WeakPolarHBondContact O-CB 3.21Å; V432-R436 WeakPolarHBondContact O-CG 3.45Å; V432-R436 PolarHBondContact O-N 2.9Å; V432-Y582 HydrophobicContact CB-CD1 4.33Å; V432-Y582 HydrophobicContact CG1-CD1 3.46Å; V432-Y582 VanDerWaalsContact CG1-CD1 3.46Å; V432-Y582 HydrophobicContact CG1-CE1 4.03Å; V432-Y582 HydrophobicContact CG1-CG 3.84Å
433	A	96.9	Very high	96.8	Very high	6 Å²	6	37.2 Å²	37.2	5%	0.05	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-42.1	172.8	0	0	0	0	0	112.2	S429 R430 G437 A580	S429-A433 WeakPolarHBondContact O-CB 3.26Å; S429-A433 PolarHBondContact O-N 3.41Å; R430-A433 WeakPolarHBondContact O-CB 3.44Å; R430-A433 PolarHBondContact O-N 2.97Å; A433-G437 WeakPolarHBondContact O-CA 3.16Å; A433-G437 PolarHBondContact O-N 2.89Å; A433-A580 WeakPolarHBondContact CB-O 3.3Å
434	L	96.4	Very high	96.7	Very high	23 Å²	23	37.2 Å²	37.2	12%	0.12	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-45.7	176.2	-76.3	173	0	0	0	112	N79 T183 R430 S431 Y438	N79-L434 PolarHBondContact ND2-O 3.17Å; T183-L434 HydrophobicContact CG2-CD1 3.69Å; R430-L434 HydrophobicContact CG-CD1 4.43Å; R430-L434 PolarHBondContact O-N 3.13Å; S431-L434 PolarHBondContact O-N 3.19Å; L434-Y438 HydrophobicContact CD2-CD2 4.3Å; L434-Y438 WeakPolarHBondContact O-CB 3.03Å; L434-Y438 PolarHBondContact O-N 3.37Å; L434-Y438 VanDerWaalsContact O-N 3.15Å
435	F	96.4	Very high	96.7	Very high	76 Å²	76	35.6 Å²	35.6	33%	0.333	18%	0.181	S	C	.	.	H	α-helix	trans	-62.6	-59.6	175.8	177.9	-107.5	0	0	0	111.6	L77 S431 V432 G437 Y438 H439	L77-F435 HydrophobicContact CB-CD2 4.1Å; L77-F435 HydrophobicContact CB-CE2 4.31Å; L77-F435 HydrophobicContact CD2-CD2 4.37Å; L77-F435 HydrophobicContact CD2-CE2 3.75Å; L77-F435 HydrophobicContact CD2-CZ 4.14Å; L77-F435 WeakPolarHBondContact O-CD2 3.44Å; S431-F435 PolarHBondContact O-N 3.06Å; V432-F435 PolarHBondContact O-N 3.34Å; F435-G437 VanDerWaalsContact C-N 3.29Å; F435-G437 PolarHBondContact O-N 3.43Å; F435-Y438 PolarHBondContact O-N 2.86Å; F435-H439 HydrophobicContact CD2-CB 3.82Å; F435-H439 AromaticContact CD2-CG 3.65Å; F435-H439 AromaticContact CD2-ND1 3.71Å; F435-H439 HydrophobicContact CE2-CB 4.04Å; F435-H439 AromaticContact CE2-CD2 3.54Å; F435-H439 AromaticContact CE2-CE1 3.96Å; F435-H439 AromaticContact CE2-CG 3.57Å; F435-H439 AromaticContact CE2-ND1 3.84Å; F435-H439 AromaticContact CE2-NE2 3.8Å; F435-H439 WeakPolarHBondContact O-CB 3.27Å; F435-H439 PolarHBondContact O-N 3.39Å; F435-H439 VanDerWaalsContact O-N 3.1Å
436	R	95.2	Very high	96.6	Very high	113 Å²	113	32.9 Å²	32.9	43%	0.426	17%	0.165	S	C	.	.	H	α-helix	trans	-61.8	-35.4	-176.7	-68.6	179.6	71	87	-9	113	V432 D588 Y593	V432-R436 HydrophobicContact CG1-CG 4.11Å; V432-R436 WeakPolarHBondContact O-CB 3.21Å; V432-R436 WeakPolarHBondContact O-CG 3.45Å; V432-R436 PolarHBondContact O-N 2.9Å; R436-D588 IonicContact NH2-OD1 3.63Å; R436-Y593 WeakPolarHBondContact O-CE1 3.44Å
437	G	95.6	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-77.5	-35.6	-177.1	0	0	0	0	0	114.5	A433 F435 L569	A433-G437 WeakPolarHBondContact O-CA 3.16Å; A433-G437 PolarHBondContact O-N 2.89Å; F435-G437 VanDerWaalsContact C-N 3.29Å; F435-G437 PolarHBondContact O-N 3.43Å; G437-L569 WeakPolarHBondContact O-CB 3.24Å; G437-L569 PolarHBondContact O-N 3.23Å
438	Y	95.6	Very high	96.3	Very high	52 Å²	52	32 Å²	32	20%	0.204	16%	0.16	C	C	.	.	H	α-helix	trans	-135	-2.7	-159.3	-55.6	-86	0	0	0	115.9	L434 F435 A440 P441 F568	L434-Y438 HydrophobicContact CD2-CD2 4.3Å; L434-Y438 WeakPolarHBondContact O-CB 3.03Å; L434-Y438 PolarHBondContact O-N 3.37Å; L434-Y438 VanDerWaalsContact O-N 3.15Å; F435-Y438 PolarHBondContact O-N 2.86Å; Y438-A440 PolarHBondContact O-N 3.17Å; Y438-P441 VanDerWaalsContact O-CD 3.28Å; Y438-P441 WeakPolarHBondContact O-CD 3.45Å; Y438-F568 HydrophobicContact CD1-CE1 4.39Å; Y438-F568 AromaticContact CD1-CE2 3.9Å; Y438-F568 HydrophobicContact CD1-CE2 3.9Å; Y438-F568 AromaticContact CD1-CZ 3.62Å; Y438-F568 HydrophobicContact CD1-CZ 3.62Å; Y438-F568 HydrophobicContact CE1-CZ 4.28Å; Y438-F568 HydrophobicContact CG-CE2 4.46Å
439	H	96.3	Very high	96.1	Very high	17 Å²	17	29.7 Å²	29.7	8%	0.079	15%	0.146	C	C	.	.			trans	-72.4	-8.9	-178.2	-160.9	80.4	0	0	0	114.7	L77 N79 F435 P441 L442 D443	L77-H439 PolarHBondContact O-ND1 2.86Å; N79-H439 VanDerWaalsContact OD1-CA 3.29Å; N79-H439 WeakPolarHBondContact OD1-CA 3.45Å; N79-H439 WeakPolarHBondContact OD1-CB 3.26Å; N79-H439 PolarHBondContact OD1-ND1 3.34Å; F435-H439 HydrophobicContact CD2-CB 3.82Å; F435-H439 AromaticContact CD2-CG 3.65Å; F435-H439 AromaticContact CD2-ND1 3.71Å; F435-H439 HydrophobicContact CE2-CB 4.04Å; F435-H439 AromaticContact CE2-CD2 3.54Å; F435-H439 AromaticContact CE2-CE1 3.96Å; F435-H439 AromaticContact CE2-CG 3.57Å; F435-H439 AromaticContact CE2-ND1 3.84Å; F435-H439 AromaticContact CE2-NE2 3.8Å; F435-H439 WeakPolarHBondContact O-CB 3.27Å; F435-H439 PolarHBondContact O-N 3.39Å; F435-H439 VanDerWaalsContact O-N 3.1Å; H439-P441 VanDerWaalsContact C-N 3.32Å; H439-P441 WeakPolarHBondContact O-CD 3.48Å; H439-L442 PolarHBondContact O-N 2.73Å; H439-D443 PolarHBondContact O-N 3.45Å
440	A	96.6	Very high	95.9	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-48.6	-36	-173.5	0	0	0	0	0	116.3	Y438 D443 L444 K566 F568 Y596	Y438-A440 PolarHBondContact O-N 3.17Å; A440-D443 PolarHBondContact O-N 3.11Å; A440-L444 WeakPolarHBondContact O-CB 3.27Å; A440-L444 PolarHBondContact O-N 2.86Å; A440-K566 HydrophobicContact CB-CB 3.89Å; A440-F568 HydrophobicContact CB-CB 4.09Å; A440-F568 HydrophobicContact CB-CD2 3.82Å; A440-F568 HydrophobicContact CB-CG 4.44Å; A440-Y596 HydrophobicContact CB-CD1 4.18Å; A440-Y596 HydrophobicContact CB-CG 4.34Å
441	P	96.6	Very high	95.6	Very high	12 Å²	12	32.8 Å²	32.8	8%	0.078	16%	0.155	C	C	.	.	H	α-helix	trans	-66.6	-44.4	176.4	-20.9	33.8	0	0	0	113.4	Y438 H439 D443 L444 Y445 R476 Y596	Y438-P441 VanDerWaalsContact O-CD 3.28Å; Y438-P441 WeakPolarHBondContact O-CD 3.45Å; H439-P441 VanDerWaalsContact C-N 3.32Å; H439-P441 WeakPolarHBondContact O-CD 3.48Å; P441-D443 PolarHBondContact O-N 3.02Å; P441-L444 PolarHBondContact O-N 2.94Å; P441-Y445 HydrophobicContact CB-CD2 4.41Å; P441-Y445 HydrophobicContact CB-CE2 4.47Å; P441-Y445 VanDerWaalsContact O-CD2 3.31Å; P441-Y445 WeakPolarHBondContact O-CD2 3.46Å; P441-Y445 PolarHBondContact O-N 3.09Å; P441-R476 WeakPolarHBondContact CB-O 3.41Å; P441-R476 HydrophobicContact CG-CB 4.07Å; P441-Y596 HydrophobicContact CB-CE1 3.95Å; P441-Y596 HydrophobicContact CG-CD1 4.42Å; P441-Y596 HydrophobicContact CG-CE1 3.9Å
442	L	96.1	Very high	95.3	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.037	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-28.1	176.5	-69.9	173.1	0	0	0	111.9	I80 F141 H439 P446 P478 L482	I80-L442 HydrophobicContact CD1-CD2 4.45Å; F141-L442 HydrophobicContact CE1-CD2 3.98Å; F141-L442 HydrophobicContact CZ-CD2 3.84Å; H439-L442 PolarHBondContact O-N 2.73Å; L442-P446 WeakPolarHBondContact O-CD 3.43Å; L442-P446 WeakPolarHBondContact O-CG 3.46Å; L442-P478 HydrophobicContact CD2-CB 3.74Å; L442-L482 HydrophobicContact CD2-CD1 4.11Å
443	D	95.6	Very high	94.9	Very high	73 Å²	73	39.6 Å²	39.6	39%	0.39	19%	0.185	S	C	.	.	H	α-helix	trans	-84.9	-25.7	-179.7	-142.3	25.9	0	0	0	113.4	H439 A440 P441 K566	H439-D443 PolarHBondContact O-N 3.45Å; A440-D443 PolarHBondContact O-N 3.11Å; P441-D443 PolarHBondContact O-N 3.02Å; D443-K566 HydrophobicContact CB-CD 4.31Å; D443-K566 HydrophobicContact CB-CG 4.34Å; D443-K566 VanDerWaalsContact O-CE 3.25Å; D443-K566 WeakPolarHBondContact O-CE 3.49Å; D443-K566 PolarHBondContact O-NZ 3.45Å; D443-K566 IonicContact OD1-NZ 3.39Å; D443-K566 PolarHBondContact OD1-NZ 2.87Å; D443-K566 WeakPolarHBondContact OD2-CD 3.37Å; D443-K566 WeakPolarHBondContact OD2-CE 3.15Å; D443-K566 IonicContact OD2-NZ 2.76Å; D443-K566 PolarHBondContact OD2-NZ 3.32Å
444	L	96.6	Very high	94.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-98.6	-41.4	-174.7	-175.7	66.5	0	0	0	113.3	A440 P441 E447 V539 A564 K566 Y596 I598	A440-L444 WeakPolarHBondContact O-CB 3.27Å; A440-L444 PolarHBondContact O-N 2.86Å; P441-L444 PolarHBondContact O-N 2.94Å; L444-E447 HydrophobicContact CD1-CG 4.5Å; L444-E447 VanDerWaalsContact O-CB 3.22Å; L444-E447 WeakPolarHBondContact O-CB 3.04Å; L444-E447 PolarHBondContact O-N 3.39Å; L444-V539 HydrophobicContact CD2-CG1 4.28Å; L444-A564 HydrophobicContact CD1-CB 3.87Å; L444-K566 HydrophobicContact CB-CG 4Å; L444-K566 HydrophobicContact CD1-CG 4.13Å; L444-Y596 HydrophobicContact CB-CD1 4.27Å; L444-Y596 HydrophobicContact CD2-CD1 3.39Å; L444-Y596 HydrophobicContact CD2-CE1 3.83Å; L444-Y596 HydrophobicContact CD2-CG 4.28Å; L444-Y596 HydrophobicContact CG-CD1 4.47Å; L444-I598 HydrophobicContact CD1-CD1 3.86Å; L444-I598 HydrophobicContact CD1-CG1 3.95Å; L444-I598 HydrophobicContact CD2-CG1 4.01Å; L444-I598 HydrophobicContact CG-CD1 3.9Å; L444-I598 HydrophobicContact CG-CG1 3.84Å
445	Y	96.8	Very high	93.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-35.7	-178.1	-83.5	-98.8	0	0	0	114	P441 E447 F448 V470 F477 P478 L483 V539 Y596	P441-Y445 HydrophobicContact CB-CD2 4.41Å; P441-Y445 HydrophobicContact CB-CE2 4.47Å; P441-Y445 VanDerWaalsContact O-CD2 3.31Å; P441-Y445 WeakPolarHBondContact O-CD2 3.46Å; P441-Y445 PolarHBondContact O-N 3.09Å; Y445-E447 PolarHBondContact O-N 3.45Å; Y445-E447 VanDerWaalsContact O-N 3.16Å; Y445-F448 HydrophobicContact CD1-CD2 4.03Å; Y445-F448 AromaticContact CD1-CE2 3.77Å; Y445-F448 HydrophobicContact CD1-CE2 3.77Å; Y445-F448 HydrophobicContact CE1-CE2 4.02Å; Y445-F448 HydrophobicContact CG-CE2 4.42Å; Y445-F448 WeakPolarHBondContact O-CB 3.23Å; Y445-F448 VanDerWaalsContact O-CD2 3.28Å; Y445-F448 WeakPolarHBondContact O-CD2 3.35Å; Y445-F448 PolarHBondContact O-N 2.97Å; Y445-F448 VanDerWaalsContact O-N 3.09Å; Y445-V470 VanDerWaalsContact OH-CG1 3.32Å; Y445-V470 WeakPolarHBondContact OH-CG1 3.34Å; Y445-F477 HydrophobicContact CD1-CD2 4.19Å; Y445-F477 HydrophobicContact CD1-CE2 4.02Å; Y445-F477 AromaticContact CE1-CD2 3.46Å; Y445-F477 HydrophobicContact CE1-CD2 3.46Å; Y445-F477 VanDerWaalsContact CE1-CD2 3.46Å; Y445-F477 AromaticContact CE1-CE2 3.59Å; Y445-F477 HydrophobicContact CE1-CE2 3.59Å; Y445-F477 AromaticContact CZ-CD2 3.71Å; Y445-P478 HydrophobicContact CD1-CG 4.29Å; Y445-P478 VanDerWaalsContact CD2-CD 3.44Å; Y445-P478 HydrophobicContact CD2-CG 3.6Å; Y445-P478 HydrophobicContact CE2-CG 4.2Å; Y445-P478 HydrophobicContact CG-CG 3.63Å; Y445-L483 HydrophobicContact CD1-CD2 3.9Å; Y445-L483 HydrophobicContact CE1-CD2 4.37Å; Y445-V539 HydrophobicContact CE1-CG2 4.16Å; Y445-V539 HydrophobicContact CE2-CG1 4.01Å; Y445-Y596 HydrophobicContact CE2-CE1 4.1Å
446	P	94.9	Very high	93.3	Very high	38 Å²	38	47.5 Å²	47.5	25%	0.247	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.5	172.2	-27.3	37.5	0	0	0	114.8	L442 F448 H449 L482	L442-P446 WeakPolarHBondContact O-CD 3.43Å; L442-P446 WeakPolarHBondContact O-CG 3.46Å; P446-F448 PolarHBondContact O-N 3.44Å; P446-F448 VanDerWaalsContact O-N 3.16Å; P446-H449 WeakPolarHBondContact O-CB 3.32Å; P446-H449 PolarHBondContact O-N 3.41Å; P446-L482 HydrophobicContact CG-CD1 4.2Å
447	E	95.2	Very high	92.8	Very high	49 Å²	49	44.1 Å²	44.1	23%	0.229	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-25	174.5	-70.8	-73.4	137.9	0	0	112.2	L444 Y445 H449 R450 I451 A564 I598	L444-E447 HydrophobicContact CD1-CG 4.5Å; L444-E447 VanDerWaalsContact O-CB 3.22Å; L444-E447 WeakPolarHBondContact O-CB 3.04Å; L444-E447 PolarHBondContact O-N 3.39Å; Y445-E447 PolarHBondContact O-N 3.45Å; Y445-E447 VanDerWaalsContact O-N 3.16Å; E447-H449 PolarHBondContact O-N 3.21Å; E447-R450 WeakPolarHBondContact O-CA 3.46Å; E447-R450 WeakPolarHBondContact O-CB 3.43Å; E447-R450 PolarHBondContact O-N 2.65Å; E447-R450 IonicContact OE2-CZ 3.17Å; E447-R450 IonicContact OE2-NE 2.76Å; E447-R450 PolarHBondContact OE2-NE 2.87Å; E447-R450 IonicContact OE2-NH2 2.71Å; E447-R450 PolarHBondContact OE2-NH2 3.48Å; E447-I451 WeakPolarHBondContact O-CG1 3.37Å; E447-I451 PolarHBondContact O-N 2.97Å; E447-A564 HydrophobicContact CB-CB 4.49Å; E447-A564 HydrophobicContact CG-CB 4.37Å; E447-I598 HydrophobicContact CB-CD1 4.1Å
448	F	95.3	Very high	92.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-29.8	173.4	-71.6	-58	0	0	0	112.8	Y445 P446 R450 I451 A452 V468 L483 P484 W487 Y537 V539 I598	Y445-F448 HydrophobicContact CD1-CD2 4.03Å; Y445-F448 AromaticContact CD1-CE2 3.77Å; Y445-F448 HydrophobicContact CD1-CE2 3.77Å; Y445-F448 HydrophobicContact CE1-CE2 4.02Å; Y445-F448 HydrophobicContact CG-CE2 4.42Å; Y445-F448 WeakPolarHBondContact O-CB 3.23Å; Y445-F448 VanDerWaalsContact O-CD2 3.28Å; Y445-F448 WeakPolarHBondContact O-CD2 3.35Å; Y445-F448 PolarHBondContact O-N 2.97Å; Y445-F448 VanDerWaalsContact O-N 3.09Å; P446-F448 PolarHBondContact O-N 3.44Å; P446-F448 VanDerWaalsContact O-N 3.16Å; F448-R450 VanDerWaalsContact C-N 3.33Å; F448-I451 HydrophobicContact CD1-CD1 4Å; F448-I451 HydrophobicContact CE1-CD1 4.45Å; F448-I451 PolarHBondContact O-N 3.34Å; F448-A452 VanDerWaalsContact O-CB 3.27Å; F448-A452 WeakPolarHBondContact O-CB 3.43Å; F448-A452 PolarHBondContact O-N 2.88Å; F448-V468 HydrophobicContact CE1-CG1 4.46Å; F448-V468 HydrophobicContact CE1-CG2 4.27Å; F448-V468 HydrophobicContact CE2-CG1 3.88Å; F448-V468 HydrophobicContact CE2-CG2 4.49Å; F448-V468 HydrophobicContact CZ-CG1 3.62Å; F448-V468 HydrophobicContact CZ-CG2 4.16Å; F448-L483 HydrophobicContact CD2-CD2 3.55Å; F448-L483 HydrophobicContact CE2-CD2 3.96Å; F448-L483 HydrophobicContact CG-CD2 4.28Å; F448-P484 HydrophobicContact CB-CG 4.08Å; F448-P484 WeakPolarHBondContact O-CG 3.23Å; F448-W487 HydrophobicContact CB-CE3 4.29Å; F448-W487 HydrophobicContact CB-CZ3 4.18Å; F448-W487 AromaticContact CD1-CE3 3.97Å; F448-W487 HydrophobicContact CD1-CE3 3.97Å; F448-W487 HydrophobicContact CD1-CH2 4.22Å; F448-W487 AromaticContact CD1-CZ3 3.35Å; F448-W487 HydrophobicContact CD1-CZ3 3.35Å; F448-W487 AromaticContact CE1-CZ3 3.94Å; F448-W487 HydrophobicContact CE1-CZ3 3.94Å; F448-W487 HydrophobicContact CG-CE3 4.27Å; F448-W487 HydrophobicContact CG-CZ3 4.04Å; F448-Y537 HydrophobicContact CE1-CD1 4.21Å; F448-Y537 HydrophobicContact CE1-CD2 4.49Å; F448-Y537 AromaticContact CE1-CG 3.94Å; F448-Y537 HydrophobicContact CE1-CG 3.94Å; F448-V539 HydrophobicContact CE2-CG2 3.92Å; F448-V539 HydrophobicContact CZ-CG2 3.67Å; F448-I598 HydrophobicContact CD1-CD1 4.03Å; F448-I598 HydrophobicContact CD1-CG2 4.48Å; F448-I598 HydrophobicContact CD2-CD1 4.21Å; F448-I598 HydrophobicContact CE1-CB 4.47Å; F448-I598 HydrophobicContact CE1-CD1 3.75Å; F448-I598 HydrophobicContact CE1-CG1 4.04Å; F448-I598 HydrophobicContact CE1-CG2 3.57Å; F448-I598 HydrophobicContact CE2-CD1 3.93Å; F448-I598 HydrophobicContact CE2-CG1 4.22Å; F448-I598 HydrophobicContact CG-CD1 4.27Å; F448-I598 HydrophobicContact CZ-CB 4.47Å; F448-I598 HydrophobicContact CZ-CD1 3.7Å; F448-I598 HydrophobicContact CZ-CG1 3.72Å; F448-I598 HydrophobicContact CZ-CG2 3.92Å
449	H	92.4	Very high	91.7	Very high	35 Å²	35	46.9 Å²	46.9	16%	0.162	26%	0.255	C	S	.	.	H	α-helix	trans	-72.5	-22.3	173	-76	88.1	0	0	0	113.7	N136 P446 E447 K453 L482 L483	N136-H449 PolarHBondContact OD1-NE2 3.28Å; P446-H449 WeakPolarHBondContact O-CB 3.32Å; P446-H449 PolarHBondContact O-N 3.41Å; E447-H449 PolarHBondContact O-N 3.21Å; H449-K453 WeakPolarHBondContact O-CG 3.04Å; H449-L482 PolarHBondContact CE1-O 2.87Å; H449-L482 PolarHBondContact ND1-O 2.93Å; H449-L483 VanDerWaalsContact CE1-C 3.4Å; H449-L483 PolarHBondContact CE1-O 3.21Å
450	R	92.3	Very high	91.1	Very high	110 Å²	110	47.2 Å²	47.2	42%	0.415	26%	0.258	S	S	.	.	H	α-helix	trans	-81.1	-46.7	169.1	-174.4	-178.7	63.2	78.3	1	110.5	E447 F448 A452 K453 D454	E447-R450 WeakPolarHBondContact O-CA 3.46Å; E447-R450 WeakPolarHBondContact O-CB 3.43Å; E447-R450 PolarHBondContact O-N 2.65Å; E447-R450 IonicContact OE2-CZ 3.17Å; E447-R450 IonicContact OE2-NE 2.76Å; E447-R450 PolarHBondContact OE2-NE 2.87Å; E447-R450 IonicContact OE2-NH2 2.71Å; E447-R450 PolarHBondContact OE2-NH2 3.48Å; F448-R450 VanDerWaalsContact C-N 3.33Å; R450-A452 VanDerWaalsContact C-N 3.34Å; R450-A452 PolarHBondContact O-N 3.4Å; R450-K453 PolarHBondContact O-N 3.21Å; R450-K453 VanDerWaalsContact O-N 3.09Å; R450-D454 PolarHBondContact O-N 2.92Å
451	I	92.6	Very high	90.4	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.2	-47.5	178.6	-65.7	166	0	0	0	110.4	E447 F448 K453 D454 L457 H458 W487 Y537 V563 I598	E447-I451 WeakPolarHBondContact O-CG1 3.37Å; E447-I451 PolarHBondContact O-N 2.97Å; F448-I451 HydrophobicContact CD1-CD1 4Å; F448-I451 HydrophobicContact CE1-CD1 4.45Å; F448-I451 PolarHBondContact O-N 3.34Å; I451-K453 PolarHBondContact O-N 3.43Å; I451-D454 PolarHBondContact O-N 2.91Å; I451-D454 VanDerWaalsContact O-N 3.11Å; I451-L457 HydrophobicContact CG1-CD1 4.45Å; I451-L457 HydrophobicContact CG2-CB 4.15Å; I451-H458 WeakPolarHBondContact O-CB 3.24Å; I451-W487 HydrophobicContact CG2-CH2 4.03Å; I451-Y537 HydrophobicContact CG2-CE1 3.82Å; I451-Y537 WeakPolarHBondContact CG2-OH 3.34Å; I451-V563 HydrophobicContact CD1-CB 4.45Å; I451-V563 HydrophobicContact CD1-CG1 3.65Å; I451-V563 HydrophobicContact CG1-CG1 3.82Å; I451-I598 HydrophobicContact CD1-CD1 3.96Å; I451-I598 HydrophobicContact CD1-CG2 4.13Å
452	A	90.9	Very high	89.6	Confident	34 Å²	34	58.1 Å²	58.1	28%	0.281	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.9	179.5	0	0	0	0	0	114.5	F448 R450 P484 W487	F448-A452 VanDerWaalsContact O-CB 3.27Å; F448-A452 WeakPolarHBondContact O-CB 3.43Å; F448-A452 PolarHBondContact O-N 2.88Å; R450-A452 VanDerWaalsContact C-N 3.34Å; R450-A452 PolarHBondContact O-N 3.4Å; A452-P484 HydrophobicContact CB-CB 4.27Å; A452-P484 HydrophobicContact CB-CG 3.92Å; A452-W487 HydrophobicContact CB-CH2 4.42Å; A452-W487 HydrophobicContact CB-CZ2 3.62Å
453	K	89.3	Confident	88.7	Confident	181 Å²	181	61 Å²	61	79%	0.787	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-11.8	177.4	-71.9	-179.4	175.8	-175.7	0	113.7	H449 R450 I451 P455	H449-K453 WeakPolarHBondContact O-CG 3.04Å; R450-K453 PolarHBondContact O-N 3.21Å; R450-K453 VanDerWaalsContact O-N 3.09Å; I451-K453 PolarHBondContact O-N 3.43Å; K453-P455 WeakPolarHBondContact O-CD 3.31Å
454	D	88.7	Confident	88.3	Confident	43 Å²	43	65.4 Å²	65.4	23%	0.23	36%	0.362	C	S	.	.			trans	-102.2	105.1	-175.2	-176.9	-25.7	0	0	0	109.6	R450 I451 T456 L457 H458	R450-D454 PolarHBondContact O-N 2.92Å; I451-D454 PolarHBondContact O-N 2.91Å; I451-D454 VanDerWaalsContact O-N 3.11Å; D454-T456 PolarHBondContact O-N 2.8Å; D454-T456 VanDerWaalsContact O-N 3.11Å; D454-T456 WeakPolarHBondContact OD1-CA 3.17Å; D454-T456 VanDerWaalsContact OD1-CB 3.3Å; D454-T456 WeakPolarHBondContact OD1-CB 3.35Å; D454-T456 PolarHBondContact OD1-N 3.34Å; D454-T456 PolarHBondContact OD1-OG1 3.08Å; D454-L457 HydrophobicContact CB-CB 4.12Å; D454-L457 HydrophobicContact CB-CD1 4.2Å; D454-L457 HydrophobicContact CB-CG 4.21Å; D454-L457 PolarHBondContact O-N 3.34Å; D454-L457 PolarHBondContact OD1-N 3.32Å; D454-L457 WeakPolarHBondContact OD2-CD1 3.27Å; D454-L457 WeakPolarHBondContact OD2-CG 3.46Å; D454-H458 PolarHBondContact O-N 3.14Å
455	P	83.7	Confident	88	Confident	117 Å²	117	69 Å²	69	76%	0.76	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-3.8	-177.5	30.7	-36.6	0	0	0	113.9	K453 H458	K453-P455 WeakPolarHBondContact O-CD 3.31Å; P455-H458 CarbonylContact C-O 3.14Å
456	T	83.6	Confident	88	Confident	111 Å²	111	69.1 Å²	69.1	68%	0.681	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-34	168.4	78.1	0	0	0	0	111.1	D454	D454-T456 PolarHBondContact O-N 2.8Å; D454-T456 VanDerWaalsContact O-N 3.11Å; D454-T456 WeakPolarHBondContact OD1-CA 3.17Å; D454-T456 VanDerWaalsContact OD1-CB 3.3Å; D454-T456 WeakPolarHBondContact OD1-CB 3.35Å; D454-T456 PolarHBondContact OD1-N 3.34Å; D454-T456 PolarHBondContact OD1-OG1 3.08Å
457	L	83.3	Confident	88	Confident	42 Å²	42	68 Å²	68	22%	0.22	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-34.5	-179.2	-61	-179.3	0	0	0	113	I451 D454 Y537 V563 K600	I451-L457 HydrophobicContact CG1-CD1 4.45Å; I451-L457 HydrophobicContact CG2-CB 4.15Å; D454-L457 HydrophobicContact CB-CB 4.12Å; D454-L457 HydrophobicContact CB-CD1 4.2Å; D454-L457 HydrophobicContact CB-CG 4.21Å; D454-L457 PolarHBondContact O-N 3.34Å; D454-L457 PolarHBondContact OD1-N 3.32Å; D454-L457 WeakPolarHBondContact OD2-CD1 3.27Å; D454-L457 WeakPolarHBondContact OD2-CG 3.46Å; L457-Y537 PolarHBondContact O-OH 3.49Å; L457-V563 HydrophobicContact CD1-CG1 4.12Å; L457-V563 HydrophobicContact CD2-CG1 4.23Å; L457-K600 WeakPolarHBondContact O-CD 3.44Å; L457-K600 WeakPolarHBondContact O-CE 3.41Å; L457-K600 PolarHBondContact O-NZ 3.34Å
458	H	88.1	Confident	88.1	Confident	23 Å²	23	65.7 Å²	65.7	11%	0.106	37%	0.369	C	S	.	.			trans	-100.1	135.7	173.1	-161.5	59.2	0	0	0	111.6	I451 D454 P455 V460 W487 Y537	I451-H458 WeakPolarHBondContact O-CB 3.24Å; D454-H458 PolarHBondContact O-N 3.14Å; P455-H458 CarbonylContact C-O 3.14Å; H458-V460 PolarHBondContact CD2-O 3.39Å; H458-V460 PolarHBondContact NE2-O 3.35Å; H458-W487 AromaticContact CE1-CH2 3.9Å; H458-W487 AromaticContact CE1-CZ2 3.33Å; H458-W487 WeakPolarHBondContact CE1-CZ2 3.25Å; H458-W487 AromaticContact ND1-CH2 3.72Å; H458-W487 AromaticContact ND1-CZ2 3.45Å; H458-W487 WeakPolarHBondContact ND1-CZ2 3.14Å; H458-W487 AromaticContact NE2-CZ2 3.93Å; H458-Y537 AromaticContact ND1-CE2 3.85Å; H458-Y537 AromaticContact ND1-CZ 3.84Å; H458-Y537 PolarHBondContact ND1-OH 3.03Å
459	S	80.7	Confident	88.2	Confident	87 Å²	87	65.7 Å²	65.7	61%	0.608	37%	0.369	S	S	*	.			trans	-141.8	21.3	-173.1	58.4	0	0	0	0	112.8	K600	S459-K600 WeakPolarHBondContact OG-CE 3.42Å; S459-K600 PolarHBondContact OG-NZ 3.43Å
460	V	83.9	Confident	88.4	Confident	25 Å²	25	64 Å²	64	15%	0.152	36%	0.361	C	S	.	.	S	Bend	trans	-99.1	135.5	167.2	-170.3	0	0	0	0	106.8	H458 R464 V466 H536	H458-V460 PolarHBondContact CD2-O 3.39Å; H458-V460 PolarHBondContact NE2-O 3.35Å; V460-R464 HydrophobicContact CG1-CB 3.81Å; V460-V466 HydrophobicContact CB-CG2 4.32Å; V460-V466 HydrophobicContact CG1-CG2 4.38Å; V460-V466 HydrophobicContact CG2-CG2 4.43Å; V460-H536 VanDerWaalsContact CG2-CD2 3.4Å; V460-H536 WeakPolarHBondContact CG2-CD2 3.32Å
461	P	82.7	Confident	88.6	Confident	85 Å²	85	59 Å²	59	55%	0.552	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-63.8	146.3	174.2	-22.6	33.5	0	0	0	112.4	R464	P461-R464 PolarHBondContact O-N 2.68Å
462	D	78.2	Confident	88.7	Confident	161 Å²	161	60 Å²	60	86%	0.861	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	146	174.7	-64.9	-62.3	0	0	0	112.4	R464	D462-R464 VanDerWaalsContact C-N 3.29Å; D462-R464 PolarHBondContact O-N 3.28Å
463	G	77.9	Confident	88.9	Confident	66 Å²	66	58.9 Å²	58.9	68%	0.68	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-7.3	-178.8	0	0	0	0	0	115.6
464	R	87.8	Confident	89.2	Confident	166 Å²	166	51.6 Å²	51.6	63%	0.626	30%	0.304	S	S	*	.	S	Bend	trans	-88.1	144.6	168.4	-66.8	-170.7	177	-153.2	-4.1	111.5	V460 P461 D462	V460-R464 HydrophobicContact CG1-CB 3.81Å; P461-R464 PolarHBondContact O-N 2.68Å; D462-R464 VanDerWaalsContact C-N 3.29Å; D462-R464 PolarHBondContact O-N 3.28Å
465	P	90.8	Very high	89.5	Confident	75 Å²	75	53.6 Å²	53.6	49%	0.487	31%	0.309	S	S	.	.			trans	-68.8	140.4	175	28.7	-34.2	0	0	0	111.4	N486	P465-N486 CarbonylContact C-O 3.51Å; P465-N486 VanDerWaalsContact CA-O 3.32Å; P465-N486 WeakPolarHBondContact CA-O 3.12Å
466	V	94.9	Very high	90	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	101.5	-177.3	-176.7	0	0	0	0	110	V460 V468 N486 W487 Q488 H536 Y537	V460-V466 HydrophobicContact CB-CG2 4.32Å; V460-V466 HydrophobicContact CG1-CG2 4.38Å; V460-V466 HydrophobicContact CG2-CG2 4.43Å; V466-V468 PolarHBondContact O-N 3.12Å; V466-N486 PolarHBondContact N-O 2.63Å; V466-W487 HydrophobicContact CB-CB 4.42Å; V466-W487 HydrophobicContact CB-CD2 3.75Å; V466-W487 HydrophobicContact CB-CE3 4.31Å; V466-W487 HydrophobicContact CB-CG 3.76Å; V466-W487 HydrophobicContact CG1-CD2 3.65Å; V466-W487 HydrophobicContact CG1-CE3 3.74Å; V466-W487 HydrophobicContact CG1-CG 4.2Å; V466-W487 HydrophobicContact CG1-CH2 4.11Å; V466-W487 HydrophobicContact CG1-CZ2 4.03Å; V466-W487 HydrophobicContact CG1-CZ3 3.94Å; V466-W487 HydrophobicContact CG2-CD2 4.36Å; V466-W487 HydrophobicContact CG2-CG 4.37Å; V466-W487 WeakPolarHBondContact O-CA 3.12Å; V466-Q488 PolarHBondContact O-N 2.83Å; V466-H536 HydrophobicContact CG1-CB 3.93Å; V466-Y537 HydrophobicContact CG1-CD2 3.93Å; V466-Y537 HydrophobicContact CG1-CE2 3.84Å
467	S	95.8	Very high	90.7	Very high	16 Å²	16	46.3 Å²	46.3	11%	0.112	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	114.1	176.8	-53.9	0	0	0	0	112.4	H490 H536 Y537	S467-H490 WeakPolarHBondContact CB-CD2 3.46Å; S467-H490 WeakPolarHBondContact CB-NE2 3.22Å; S467-H490 PolarHBondContact OG-CD2 2.97Å; S467-H490 PolarHBondContact OG-NE2 3.22Å; S467-H536 PolarHBondContact N-ND1 2.93Å; S467-H536 PolarHBondContact O-N 3.47Å; S467-Y537 PolarHBondContact O-N 3.25Å
468	V	97.2	Very high	91.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.3	165.8	179.9	0	0	0	0	107.7	F448 V466 L483 W487 Q488 L489 H490 V539	F448-V468 HydrophobicContact CE1-CG1 4.46Å; F448-V468 HydrophobicContact CE1-CG2 4.27Å; F448-V468 HydrophobicContact CE2-CG1 3.88Å; F448-V468 HydrophobicContact CE2-CG2 4.49Å; F448-V468 HydrophobicContact CZ-CG1 3.62Å; F448-V468 HydrophobicContact CZ-CG2 4.16Å; V466-V468 PolarHBondContact O-N 3.12Å; V468-L483 HydrophobicContact CG2-CD2 4.22Å; V468-W487 HydrophobicContact CG2-CE3 3.61Å; V468-W487 HydrophobicContact CG2-CZ3 4.2Å; V468-Q488 PolarHBondContact N-O 3.4Å; V468-L489 CarbonylContact O-C 3.49Å; V468-L489 WeakPolarHBondContact O-CA 3.48Å; V468-H490 PolarHBondContact O-N 3.23Å; V468-V539 HydrophobicContact CG1-CG2 4.04Å
469	C	97.3	Very high	91.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	148.6	-178	-67.1	0	0	0	0	112.4	H490 I492 C535 Y537 L538 V539	C469-H490 CarbonylContact C-O 3.51Å; C469-H490 VanDerWaalsContact CA-O 3.3Å; C469-H490 WeakPolarHBondContact CA-O 3.43Å; C469-I492 HydrophobicContact CB-CG2 4.09Å; C469-C535 HydrophobicContact CB-CB 3.79Å; C469-C535 WeakPolarHBondContact CB-SG 3.37Å; C469-C535 VanDerWaalsContact SG-CA 3.59Å; C469-C535 WeakPolarHBondContact SG-CB 3.46Å; C469-C535 CovalentContact SG-SG 2.02Å; C469-C535 PolarHBondContact SG-SG 3.19Å; C469-Y537 PolarHBondContact N-O 3.27Å; C469-L538 HydrophobicContact CB-CD1 4.06Å; C469-L538 WeakPolarHBondContact O-CA 3.47Å; C469-L538 WeakPolarHBondContact O-CD1 3.45Å; C469-V539 PolarHBondContact O-N 3.08Å
470	V	97.3	Very high	92.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.4	167	-63.3	0	0	0	0	109.8	Y445 W474 L489 H490 F491 I492 V539	Y445-V470 VanDerWaalsContact OH-CG1 3.32Å; Y445-V470 WeakPolarHBondContact OH-CG1 3.34Å; V470-W474 HydrophobicContact CB-CB 4.49Å; V470-W474 HydrophobicContact CG2-CB 3.75Å; V470-L489 HydrophobicContact CB-CD1 4.41Å; V470-L489 HydrophobicContact CG1-CD1 3.78Å; V470-L489 HydrophobicContact CG2-CD1 3.79Å; V470-L489 HydrophobicContact CG2-CG 4.45Å; V470-H490 PolarHBondContact N-O 3.2Å; V470-F491 HydrophobicContact CG2-CD1 3.61Å; V470-F491 HydrophobicContact CG2-CE1 3.86Å; V470-F491 WeakPolarHBondContact O-CA 3.45Å; V470-I492 PolarHBondContact O-N 3.27Å; V470-V539 HydrophobicContact CG1-CB 4.27Å
471	G	95.8	Very high	93	Very high	5 Å²	5	38.5 Å²	38.5	5%	0.052	21%	0.207	C	C	.	.	S	Bend	trans	-105.8	-119.5	171.5	0	0	0	0	0	110.4	E473 W474	G471-E473 PolarHBondContact O-N 3.29Å; G471-W474 WeakPolarHBondContact O-CB 3.22Å; G471-W474 PolarHBondContact O-N 3.12Å
472	K	94.3	Very high	93.6	Very high	21 Å²	21	34.5 Å²	34.5	9%	0.091	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-48.2	-37.6	-179.8	74	-157.8	-174.5	-139.1	0	114.5	W474 Y475 D540 L541 T543 E550	K472-W474 VanDerWaalsContact C-N 3.26Å; K472-W474 PolarHBondContact O-N 3.37Å; K472-Y475 VanDerWaalsContact O-CD1 3.27Å; K472-Y475 WeakPolarHBondContact O-CD1 3.3Å; K472-Y475 WeakPolarHBondContact O-CE1 3.33Å; K472-D540 WeakPolarHBondContact CE-OD1 3.4Å; K472-D540 IonicContact NZ-OD1 2.83Å; K472-D540 PolarHBondContact NZ-OD1 2.94Å; K472-D540 IonicContact NZ-OD2 3.32Å; K472-D540 PolarHBondContact NZ-OD2 2.97Å; K472-L541 WeakPolarHBondContact CE-O 3.44Å; K472-L541 PolarHBondContact NZ-O 3.15Å; K472-T543 PolarHBondContact NZ-OG1 3.2Å; K472-E550 VanDerWaalsContact CB-CD 3.46Å; K472-E550 HydrophobicContact CB-CG 4.24Å; K472-E550 WeakPolarHBondContact CB-OE1 3.2Å; K472-E550 HydrophobicContact CD-CB 4.23Å; K472-E550 HydrophobicContact CD-CG 4.22Å; K472-E550 VanDerWaalsContact CD-OE2 3.27Å; K472-E550 WeakPolarHBondContact CD-OE2 3.45Å
473	E	94.9	Very high	94.5	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.047	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-82	15.7	-178.5	-66.2	-66	97.2	0	0	115.2	G471 Y475 R476 L541 Y596	G471-E473 PolarHBondContact O-N 3.29Å; E473-Y475 PolarHBondContact O-N 3.43Å; E473-Y475 PolarHBondContact OE1-OH 2.89Å; E473-R476 PolarHBondContact O-N 2.99Å; E473-R476 IonicContact OE1-NE 3.9Å; E473-R476 WeakPolarHBondContact OE2-CD 3.05Å; E473-R476 IonicContact OE2-NE 2.91Å; E473-R476 PolarHBondContact OE2-NE 3.35Å; E473-L541 HydrophobicContact CG-CB 3.58Å; E473-Y596 HydrophobicContact CB-CE2 4.03Å; E473-Y596 HydrophobicContact CG-CE2 3.98Å
474	W	95.8	Very high	95.2	Very high	27 Å²	27	24.1 Å²	24.1	10%	0.102	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-52.4	-38.6	-179.2	70.9	-90.4	0	0	0	113.6	C83 F87 V470 G471 K472 R476 F477 F491 F496 L500	C83-W474 HydrophobicContact CB-CZ3 4.23Å; F87-W474 HydrophobicContact CD2-CE3 4.37Å; F87-W474 HydrophobicContact CD2-CZ3 4.08Å; F87-W474 AromaticContact CE2-CE3 3.68Å; F87-W474 HydrophobicContact CE2-CE3 3.68Å; F87-W474 AromaticContact CE2-CZ3 3.84Å; F87-W474 HydrophobicContact CE2-CZ3 3.84Å; F87-W474 HydrophobicContact CZ-CE3 4.3Å; V470-W474 HydrophobicContact CB-CB 4.49Å; V470-W474 HydrophobicContact CG2-CB 3.75Å; G471-W474 WeakPolarHBondContact O-CB 3.22Å; G471-W474 PolarHBondContact O-N 3.12Å; K472-W474 VanDerWaalsContact C-N 3.26Å; K472-W474 PolarHBondContact O-N 3.37Å; W474-R476 PolarHBondContact O-N 3.01Å; W474-F477 VanDerWaalsContact O-CB 3.29Å; W474-F477 WeakPolarHBondContact O-CB 3.3Å; W474-F477 PolarHBondContact O-N 3.41Å; W474-F477 VanDerWaalsContact O-N 3.09Å; W474-F491 HydrophobicContact CB-CD1 3.98Å; W474-F491 HydrophobicContact CB-CE1 3.99Å; W474-F496 AromaticContact CE2-CE1 3.98Å; W474-F496 HydrophobicContact CH2-CE1 4.49Å; W474-F496 HydrophobicContact CH2-CZ 4.22Å; W474-F496 HydrophobicContact CZ2-CD1 4.18Å; W474-F496 HydrophobicContact CZ2-CD2 4.21Å; W474-F496 AromaticContact CZ2-CE1 3.71Å; W474-F496 HydrophobicContact CZ2-CE1 3.71Å; W474-F496 AromaticContact CZ2-CE2 3.76Å; W474-F496 HydrophobicContact CZ2-CE2 3.76Å; W474-F496 HydrophobicContact CZ2-CG 4.4Å; W474-F496 AromaticContact CZ2-CZ 3.47Å; W474-F496 HydrophobicContact CZ2-CZ 3.47Å; W474-F496 VanDerWaalsContact CZ2-CZ 3.47Å; W474-F496 AromaticContact NE1-CD1 3.65Å; W474-F496 AromaticContact NE1-CD2 3.93Å; W474-F496 AromaticContact NE1-CG 3.55Å; W474-L500 HydrophobicContact CD2-CD2 3.39Å; W474-L500 HydrophobicContact CE3-CD2 3.68Å; W474-L500 HydrophobicContact CG-CD2 3.77Å; W474-L500 HydrophobicContact CH2-CD2 4.35Å; W474-L500 HydrophobicContact CZ2-CD2 4.1Å; W474-L500 HydrophobicContact CZ3-CD2 4.15Å
475	Y	94.9	Very high	95.2	Very high	85 Å²	85	22.2 Å²	22.2	33%	0.333	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-70.8	-6.9	-179.1	66.8	-82.4	0	0	0	113.4	K472 E473	K472-Y475 VanDerWaalsContact O-CD1 3.27Å; K472-Y475 WeakPolarHBondContact O-CD1 3.3Å; K472-Y475 WeakPolarHBondContact O-CE1 3.33Å; E473-Y475 PolarHBondContact O-N 3.43Å; E473-Y475 PolarHBondContact OE1-OH 2.89Å
476	R	95.9	Very high	95.1	Very high	74 Å²	74	23.3 Å²	23.3	28%	0.279	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-103.1	4.4	172.1	-54.7	-161.2	-166.5	-77.4	-6	113.8	P441 E473 W474 P478 F568	P441-R476 WeakPolarHBondContact CB-O 3.41Å; P441-R476 HydrophobicContact CG-CB 4.07Å; E473-R476 PolarHBondContact O-N 2.99Å; E473-R476 IonicContact OE1-NE 3.9Å; E473-R476 WeakPolarHBondContact OE2-CD 3.05Å; E473-R476 IonicContact OE2-NE 2.91Å; E473-R476 PolarHBondContact OE2-NE 3.35Å; W474-R476 PolarHBondContact O-N 3.01Å; R476-P478 WeakPolarHBondContact O-CD 3.18Å; R476-F568 VanDerWaalsContact CZ-CZ 3.43Å
477	F	97.2	Very high	95.1	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	11%	0.113	C	C	.	.			trans	-58.9	124.1	172	179.5	-114.8	0	0	0	109.5	T86 F87 E91 Y445 W474 L483 L489	T86-F477 HydrophobicContact CG2-CD1 3.66Å; T86-F477 HydrophobicContact CG2-CE1 4.3Å; T86-F477 VanDerWaalsContact CG2-O 3.27Å; T86-F477 WeakPolarHBondContact CG2-O 3.17Å; T86-F477 PolarHBondContact OG1-O 3.29Å; F87-F477 AromaticContact CE1-CD1 3.8Å; F87-F477 HydrophobicContact CE1-CD1 3.8Å; F87-F477 HydrophobicContact CE1-CE1 4.48Å; F87-F477 HydrophobicContact CZ-CB 3.93Å; F87-F477 AromaticContact CZ-CD1 3.86Å; F87-F477 HydrophobicContact CZ-CD1 3.86Å; F87-F477 HydrophobicContact CZ-CG 4.32Å; E91-F477 HydrophobicContact CG-CE1 4.34Å; Y445-F477 HydrophobicContact CD1-CD2 4.19Å; Y445-F477 HydrophobicContact CD1-CE2 4.02Å; Y445-F477 AromaticContact CE1-CD2 3.46Å; Y445-F477 HydrophobicContact CE1-CD2 3.46Å; Y445-F477 VanDerWaalsContact CE1-CD2 3.46Å; Y445-F477 AromaticContact CE1-CE2 3.59Å; Y445-F477 HydrophobicContact CE1-CE2 3.59Å; Y445-F477 AromaticContact CZ-CD2 3.71Å; W474-F477 VanDerWaalsContact O-CB 3.29Å; W474-F477 WeakPolarHBondContact O-CB 3.3Å; W474-F477 PolarHBondContact O-N 3.41Å; W474-F477 VanDerWaalsContact O-N 3.09Å; F477-L483 HydrophobicContact CE2-CD1 4.07Å; F477-L483 HydrophobicContact CE2-CG 4.35Å; F477-L483 HydrophobicContact CZ-CD1 4.03Å; F477-L483 HydrophobicContact CZ-CG 4.48Å; F477-L489 HydrophobicContact CD1-CD2 3.6Å; F477-L489 HydrophobicContact CD2-CD1 3.77Å; F477-L489 HydrophobicContact CD2-CD2 4.14Å; F477-L489 HydrophobicContact CE1-CD2 3.68Å; F477-L489 HydrophobicContact CE2-CB 4.43Å; F477-L489 HydrophobicContact CE2-CD1 3.81Å; F477-L489 HydrophobicContact CE2-CD2 4.22Å; F477-L489 HydrophobicContact CE2-CG 4.38Å; F477-L489 HydrophobicContact CG-CD1 4.24Å; F477-L489 HydrophobicContact CG-CD2 3.84Å; F477-L489 HydrophobicContact CZ-CB 4.13Å; F477-L489 HydrophobicContact CZ-CD1 4.28Å; F477-L489 HydrophobicContact CZ-CD2 3.98Å; F477-L489 HydrophobicContact CZ-CG 4.36Å
478	P	96.3	Very high	95	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.019	13%	0.126	C	C	.	.			trans	-80.7	-51.3	-174.7	27.7	-31.8	0	0	0	112.6	I80 T86 L442 Y445 R476 L482	I80-P478 HydrophobicContact CD1-CB 4.28Å; I80-P478 VanDerWaalsContact CD1-O 3.27Å; I80-P478 WeakPolarHBondContact CD1-O 3.44Å; T86-P478 PolarHBondContact OG1-O 2.85Å; L442-P478 HydrophobicContact CD2-CB 3.74Å; Y445-P478 HydrophobicContact CD1-CG 4.29Å; Y445-P478 VanDerWaalsContact CD2-CD 3.44Å; Y445-P478 HydrophobicContact CD2-CG 3.6Å; Y445-P478 HydrophobicContact CE2-CG 4.2Å; Y445-P478 HydrophobicContact CG-CG 3.63Å; R476-P478 WeakPolarHBondContact O-CD 3.18Å; P478-L482 HydrophobicContact CB-CD1 3.89Å; P478-L482 HydrophobicContact CG-CD1 3.74Å
479	S	96.6	Very high	95	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.127	C	C	.	.			trans	173.7	156	166.3	172.6	0	0	0	0	111.2	E91 F481 L482	E91-S479 VanDerWaalsContact OE1-CA 3.25Å; E91-S479 WeakPolarHBondContact OE1-CA 3.21Å; E91-S479 VanDerWaalsContact OE1-CB 3.32Å; E91-S479 WeakPolarHBondContact OE1-CB 3.35Å; E91-S479 PolarHBondContact OE1-OG 3.41Å; S479-F481 PolarHBondContact O-N 3.08Å; S479-F481 VanDerWaalsContact O-N 3.16Å; S479-F481 VanDerWaalsContact OG-CD2 3.3Å; S479-F481 WeakPolarHBondContact OG-CD2 3.2Å; S479-F481 PolarHBondContact OG-N 3.36Å; S479-F481 VanDerWaalsContact OG-N 3.08Å; S479-L482 PolarHBondContact O-N 2.97Å
480	S	96.6	Very high	95	Very high	11 Å²	11	29.4 Å²	29.4	8%	0.077	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-53.9	-19.9	164.9	-64.4	0	0	0	0	113.8	E91 H94 K137 L482 L483	E91-S480 WeakPolarHBondContact OE1-CB 3.35Å; E91-S480 PolarHBondContact OE1-N 2.87Å; E91-S480 PolarHBondContact OE1-OG 2.85Å; E91-S480 VanDerWaalsContact OE2-CB 3.31Å; E91-S480 WeakPolarHBondContact OE2-CB 3.18Å; E91-S480 PolarHBondContact OE2-OG 2.87Å; H94-S480 VanDerWaalsContact CD2-C 3.48Å; H94-S480 PolarHBondContact NE2-O 3.05Å; K137-S480 PolarHBondContact NZ-O 2.81Å; S480-L482 PolarHBondContact O-N 3.32Å; S480-L483 PolarHBondContact O-N 3.5Å; S480-L483 VanDerWaalsContact O-N 3.12Å
481	F	95.6	Very high	95	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-57.2	-29.5	168	-80.6	-84.8	0	0	0	112.6	W90 M93 H94 L97 Y98 K137 V138 V140 F141 S479	W90-F481 AromaticContact CE3-CD2 3.92Å; W90-F481 HydrophobicContact CE3-CD2 3.92Å; W90-F481 AromaticContact CE3-CE2 3.8Å; W90-F481 HydrophobicContact CE3-CE2 3.8Å; W90-F481 HydrophobicContact CZ3-CE2 4.41Å; W90-F481 WeakPolarHBondContact O-CE2 3.39Å; M93-F481 HydrophobicContact CE-CE2 3.83Å; M93-F481 HydrophobicContact CE-CZ 3.78Å; M93-F481 HydrophobicContact CG-CZ 4.37Å; H94-F481 HydrophobicContact CB-CD2 4.02Å; H94-F481 HydrophobicContact CB-CE2 3.74Å; H94-F481 HydrophobicContact CB-CZ 4.31Å; H94-F481 AromaticContact CD2-CD2 3.85Å; H94-F481 AromaticContact CD2-CG 3.76Å; H94-F481 PolarHBondContact CD2-N 2.69Å; H94-F481 VanDerWaalsContact CD2-N 3.28Å; L97-F481 HydrophobicContact CD1-CE1 3.97Å; L97-F481 HydrophobicContact CD1-CZ 3.78Å; Y98-F481 AromaticContact CE2-CD1 3.96Å; Y98-F481 HydrophobicContact CE2-CD1 3.96Å; Y98-F481 AromaticContact CE2-CE1 3.61Å; Y98-F481 HydrophobicContact CE2-CE1 3.61Å; Y98-F481 HydrophobicContact CE2-CZ 4.3Å; K137-F481 CarbonylContact C-O 3.57Å; K137-F481 HydrophobicContact CB-CD1 4.23Å; K137-F481 WeakPolarHBondContact CB-O 3.28Å; K137-F481 WeakPolarHBondContact O-CD1 3.36Å; V138-F481 PolarHBondContact N-O 2.84Å; V140-F481 HydrophobicContact CB-CD1 4.36Å; V140-F481 HydrophobicContact CB-CE1 4.14Å; V140-F481 HydrophobicContact CG1-CE1 3.84Å; F141-F481 HydrophobicContact CB-CB 3.79Å; F141-F481 HydrophobicContact CB-CD1 4.24Å; F141-F481 HydrophobicContact CB-CG 4.03Å; F141-F481 HydrophobicContact CD2-CB 4.14Å; F141-F481 HydrophobicContact CD2-CD2 4.38Å; F141-F481 HydrophobicContact CD2-CG 4.41Å; F141-F481 HydrophobicContact CG-CB 4.3Å; S479-F481 PolarHBondContact O-N 3.08Å; S479-F481 VanDerWaalsContact O-N 3.16Å; S479-F481 VanDerWaalsContact OG-CD2 3.3Å; S479-F481 WeakPolarHBondContact OG-CD2 3.2Å; S479-F481 PolarHBondContact OG-N 3.36Å; S479-F481 VanDerWaalsContact OG-N 3.08Å
482	L	95.9	Very high	95.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-89.3	-9.9	179.4	-53.5	-169.4	0	0	0	113.4	V138 F141 L442 P446 H449 P478 S479 S480	V138-L482 HydrophobicContact CB-CD2 4.31Å; V138-L482 HydrophobicContact CG1-CD2 4.04Å; V138-L482 HydrophobicContact CG2-CD2 4.09Å; F141-L482 HydrophobicContact CB-CD2 4.47Å; F141-L482 HydrophobicContact CD1-CD2 4.01Å; F141-L482 HydrophobicContact CE1-CD2 4.46Å; F141-L482 HydrophobicContact CG-CD2 4.21Å; L442-L482 HydrophobicContact CD2-CD1 4.11Å; P446-L482 HydrophobicContact CG-CD1 4.2Å; H449-L482 PolarHBondContact CE1-O 2.87Å; H449-L482 PolarHBondContact ND1-O 2.93Å; P478-L482 HydrophobicContact CB-CD1 3.89Å; P478-L482 HydrophobicContact CG-CD1 3.74Å; S479-L482 PolarHBondContact O-N 2.97Å; S480-L482 PolarHBondContact O-N 3.32Å
483	L	95.4	Very high	95.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-85.7	147.6	172.9	-63.1	-178.3	0	0	0	111.6	K137 Y445 F448 H449 V468 F477 S480 W487	K137-L483 WeakPolarHBondContact CE-O 3.33Å; K137-L483 PolarHBondContact NZ-O 3.35Å; Y445-L483 HydrophobicContact CD1-CD2 3.9Å; Y445-L483 HydrophobicContact CE1-CD2 4.37Å; F448-L483 HydrophobicContact CD2-CD2 3.55Å; F448-L483 HydrophobicContact CE2-CD2 3.96Å; F448-L483 HydrophobicContact CG-CD2 4.28Å; H449-L483 VanDerWaalsContact CE1-C 3.4Å; H449-L483 PolarHBondContact CE1-O 3.21Å; V468-L483 HydrophobicContact CG2-CD2 4.22Å; F477-L483 HydrophobicContact CE2-CD1 4.07Å; F477-L483 HydrophobicContact CE2-CG 4.35Å; F477-L483 HydrophobicContact CZ-CD1 4.03Å; F477-L483 HydrophobicContact CZ-CG 4.48Å; S480-L483 PolarHBondContact O-N 3.5Å; S480-L483 VanDerWaalsContact O-N 3.12Å; L483-W487 HydrophobicContact CB-CB 4.23Å
484	P	92.9	Very high	95.1	Very high	10 Å²	10	31.9 Å²	31.9	7%	0.065	15%	0.146	C	C	.	.			trans	-61.6	176.2	173.2	-21.9	32.4	0	0	0	114.1	F448 A452 W487	F448-P484 HydrophobicContact CB-CG 4.08Å; F448-P484 WeakPolarHBondContact O-CG 3.23Å; A452-P484 HydrophobicContact CB-CB 4.27Å; A452-P484 HydrophobicContact CB-CG 3.92Å; P484-W487 HydrophobicContact CB-CB 4.42Å; P484-W487 HydrophobicContact CB-CD2 4.23Å; P484-W487 HydrophobicContact CB-CG 3.85Å; P484-W487 HydrophobicContact CG-CD2 3.84Å; P484-W487 HydrophobicContact CG-CE3 4.36Å; P484-W487 HydrophobicContact CG-CG 3.94Å; P484-W487 PolarHBondContact O-N 3.5Å
485	H	88.6	Confident	95.1	Very high	125 Å²	125	33.4 Å²	33.4	58%	0.579	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	141	172.8	-70.9	56.6	0	0	0	110.3	W487	H485-W487 VanDerWaalsContact O-CD1 3.27Å; H485-W487 PolarHBondContact O-N 2.93Å
486	N	88.7	Confident	95	Very high	99 Å²	99	32.3 Å²	32.3	53%	0.529	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	11.2	-172.4	-54.8	-22.4	0	0	0	115.6	P465 V466	P465-N486 CarbonylContact C-O 3.51Å; P465-N486 VanDerWaalsContact CA-O 3.32Å; P465-N486 WeakPolarHBondContact CA-O 3.12Å; V466-N486 PolarHBondContact N-O 2.63Å
487	W	93.6	Very high	94.9	Very high	20 Å²	20	33.6 Å²	33.6	8%	0.076	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.6	171.6	-69.9	45.2	0	0	0	108.8	F448 I451 A452 H458 V466 V468 L483 P484 H485 Y537	F448-W487 HydrophobicContact CB-CE3 4.29Å; F448-W487 HydrophobicContact CB-CZ3 4.18Å; F448-W487 AromaticContact CD1-CE3 3.97Å; F448-W487 HydrophobicContact CD1-CE3 3.97Å; F448-W487 HydrophobicContact CD1-CH2 4.22Å; F448-W487 AromaticContact CD1-CZ3 3.35Å; F448-W487 HydrophobicContact CD1-CZ3 3.35Å; F448-W487 AromaticContact CE1-CZ3 3.94Å; F448-W487 HydrophobicContact CE1-CZ3 3.94Å; F448-W487 HydrophobicContact CG-CE3 4.27Å; F448-W487 HydrophobicContact CG-CZ3 4.04Å; I451-W487 HydrophobicContact CG2-CH2 4.03Å; A452-W487 HydrophobicContact CB-CH2 4.42Å; A452-W487 HydrophobicContact CB-CZ2 3.62Å; H458-W487 AromaticContact CE1-CH2 3.9Å; H458-W487 AromaticContact CE1-CZ2 3.33Å; H458-W487 WeakPolarHBondContact CE1-CZ2 3.25Å; H458-W487 AromaticContact ND1-CH2 3.72Å; H458-W487 AromaticContact ND1-CZ2 3.45Å; H458-W487 WeakPolarHBondContact ND1-CZ2 3.14Å; H458-W487 AromaticContact NE2-CZ2 3.93Å; V466-W487 HydrophobicContact CB-CB 4.42Å; V466-W487 HydrophobicContact CB-CD2 3.75Å; V466-W487 HydrophobicContact CB-CE3 4.31Å; V466-W487 HydrophobicContact CB-CG 3.76Å; V466-W487 HydrophobicContact CG1-CD2 3.65Å; V466-W487 HydrophobicContact CG1-CE3 3.74Å; V466-W487 HydrophobicContact CG1-CG 4.2Å; V466-W487 HydrophobicContact CG1-CH2 4.11Å; V466-W487 HydrophobicContact CG1-CZ2 4.03Å; V466-W487 HydrophobicContact CG1-CZ3 3.94Å; V466-W487 HydrophobicContact CG2-CD2 4.36Å; V466-W487 HydrophobicContact CG2-CG 4.37Å; V466-W487 WeakPolarHBondContact O-CA 3.12Å; V468-W487 HydrophobicContact CG2-CE3 3.61Å; V468-W487 HydrophobicContact CG2-CZ3 4.2Å; L483-W487 HydrophobicContact CB-CB 4.23Å; P484-W487 HydrophobicContact CB-CB 4.42Å; P484-W487 HydrophobicContact CB-CD2 4.23Å; P484-W487 HydrophobicContact CB-CG 3.85Å; P484-W487 HydrophobicContact CG-CD2 3.84Å; P484-W487 HydrophobicContact CG-CE3 4.36Å; P484-W487 HydrophobicContact CG-CG 3.94Å; P484-W487 PolarHBondContact O-N 3.5Å; H485-W487 VanDerWaalsContact O-CD1 3.27Å; H485-W487 PolarHBondContact O-N 2.93Å; W487-Y537 HydrophobicContact CE3-CD2 4.35Å; W487-Y537 HydrophobicContact CE3-CE2 4.48Å; W487-Y537 AromaticContact CH2-CD2 3.89Å; W487-Y537 HydrophobicContact CH2-CD2 3.89Å; W487-Y537 AromaticContact CH2-CE2 3.28Å; W487-Y537 HydrophobicContact CH2-CE2 3.28Å; W487-Y537 AromaticContact CH2-CZ 3.73Å; W487-Y537 HydrophobicContact CZ2-CE2 4.23Å; W487-Y537 AromaticContact CZ3-CD2 3.48Å; W487-Y537 HydrophobicContact CZ3-CD2 3.48Å; W487-Y537 VanDerWaalsContact CZ3-CD2 3.48Å; W487-Y537 AromaticContact CZ3-CE2 3.42Å; W487-Y537 HydrophobicContact CZ3-CE2 3.42Å; W487-Y537 VanDerWaalsContact CZ3-CE2 3.42Å; W487-Y537 HydrophobicContact CZ3-CG 4.26Å
488	Q	94.6	Very high	94.7	Very high	83 Å²	83	33.8 Å²	33.8	39%	0.388	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.1	-170.1	-70	-178.8	-27	0	0	110.8	V466 V468 H490	V466-Q488 PolarHBondContact O-N 2.83Å; V468-Q488 PolarHBondContact N-O 3.4Å; Q488-H490 PolarHBondContact O-CD2 3.32Å
489	L	97.1	Very high	94.5	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138.2	170.4	-175.7	72.1	0	0	0	110.1	F87 M102 V468 V470 F477 F491	F87-L489 HydrophobicContact CE1-CD2 3.99Å; F87-L489 HydrophobicContact CZ-CD2 4.3Å; M102-L489 HydrophobicContact CE-CB 3.81Å; M102-L489 HydrophobicContact CE-CD2 4.13Å; M102-L489 HydrophobicContact CE-CG 4.16Å; M102-L489 WeakPolarHBondContact CE-O 3.49Å; V468-L489 CarbonylContact O-C 3.49Å; V468-L489 WeakPolarHBondContact O-CA 3.48Å; V470-L489 HydrophobicContact CB-CD1 4.41Å; V470-L489 HydrophobicContact CG1-CD1 3.78Å; V470-L489 HydrophobicContact CG2-CD1 3.79Å; V470-L489 HydrophobicContact CG2-CG 4.45Å; F477-L489 HydrophobicContact CD1-CD2 3.6Å; F477-L489 HydrophobicContact CD2-CD1 3.77Å; F477-L489 HydrophobicContact CD2-CD2 4.14Å; F477-L489 HydrophobicContact CE1-CD2 3.68Å; F477-L489 HydrophobicContact CE2-CB 4.43Å; F477-L489 HydrophobicContact CE2-CD1 3.81Å; F477-L489 HydrophobicContact CE2-CD2 4.22Å; F477-L489 HydrophobicContact CE2-CG 4.38Å; F477-L489 HydrophobicContact CG-CD1 4.24Å; F477-L489 HydrophobicContact CG-CD2 3.84Å; F477-L489 HydrophobicContact CZ-CB 4.13Å; F477-L489 HydrophobicContact CZ-CD1 4.28Å; F477-L489 HydrophobicContact CZ-CD2 3.98Å; F477-L489 HydrophobicContact CZ-CG 4.36Å; L489-F491 HydrophobicContact CD2-CE1 3.92Å; L489-F491 HydrophobicContact CD2-CZ 3.78Å; L489-F491 HydrophobicContact CG-CZ 4.49Å
490	H	97.3	Very high	94.5	Very high	40 Å²	40	34.5 Å²	34.5	19%	0.185	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	159	165.8	-55.2	-97.5	0	0	0	110.1	S467 V468 C469 V470 Q488 V530	S467-H490 WeakPolarHBondContact CB-CD2 3.46Å; S467-H490 WeakPolarHBondContact CB-NE2 3.22Å; S467-H490 PolarHBondContact OG-CD2 2.97Å; S467-H490 PolarHBondContact OG-NE2 3.22Å; V468-H490 PolarHBondContact O-N 3.23Å; C469-H490 CarbonylContact C-O 3.51Å; C469-H490 VanDerWaalsContact CA-O 3.3Å; C469-H490 WeakPolarHBondContact CA-O 3.43Å; V470-H490 PolarHBondContact N-O 3.2Å; Q488-H490 PolarHBondContact O-CD2 3.32Å; H490-V530 HydrophobicContact CB-CG1 4.1Å; H490-V530 HydrophobicContact CB-CG2 3.8Å
491	F	97.6	Very high	94.5	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.022	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.2	176.5	-53.4	-75.4	0	0	0	110.2	F87 M102 V470 W474 L489 L500 P501 Y529 V530	F87-F491 HydrophobicContact CE1-CZ 4.23Å; F87-F491 HydrophobicContact CZ-CE1 4.4Å; F87-F491 HydrophobicContact CZ-CZ 4.37Å; M102-F491 HydrophobicContact CE-CE2 4.03Å; M102-F491 HydrophobicContact CE-CZ 4.41Å; M102-F491 HydrophobicContact SD-CE2 4.28Å; V470-F491 HydrophobicContact CG2-CD1 3.61Å; V470-F491 HydrophobicContact CG2-CE1 3.86Å; V470-F491 WeakPolarHBondContact O-CA 3.45Å; W474-F491 HydrophobicContact CB-CD1 3.98Å; W474-F491 HydrophobicContact CB-CE1 3.99Å; L489-F491 HydrophobicContact CD2-CE1 3.92Å; L489-F491 HydrophobicContact CD2-CZ 3.78Å; L489-F491 HydrophobicContact CG-CZ 4.49Å; F491-L500 HydrophobicContact CB-CD1 3.72Å; F491-L500 HydrophobicContact CD1-CD1 3.97Å; F491-L500 HydrophobicContact CD1-CD2 4.49Å; F491-L500 HydrophobicContact CD2-CB 4.32Å; F491-L500 HydrophobicContact CD2-CD1 4.32Å; F491-L500 HydrophobicContact CE2-CB 4.49Å; F491-L500 HydrophobicContact CG-CB 4.5Å; F491-L500 HydrophobicContact CG-CD1 3.73Å; F491-P501 VanDerWaalsContact CE2-O 3.27Å; F491-P501 WeakPolarHBondContact CE2-O 3.37Å; F491-P501 HydrophobicContact CZ-CB 4.4Å; F491-P501 HydrophobicContact CZ-CG 4.43Å; F491-Y529 HydrophobicContact CB-CD1 4.3Å; F491-Y529 CarbonylContact O-C 3.59Å; F491-Y529 WeakPolarHBondContact O-CA 3.26Å; F491-V530 PolarHBondContact O-N 3.43Å
492	I	96.9	Very high	94.4	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-102.8	153.6	162.2	58.1	169.6	0	0	0	108.9	C469 V470 V530 I532 L538 Y553	C469-I492 HydrophobicContact CB-CG2 4.09Å; V470-I492 PolarHBondContact O-N 3.27Å; I492-V530 HydrophobicContact CG2-CG2 4.28Å; I492-I532 HydrophobicContact CD1-CD1 4.12Å; I492-I532 HydrophobicContact CG2-CB 4.29Å; I492-L538 HydrophobicContact CD1-CD1 3.74Å; I492-L538 HydrophobicContact CD1-CD2 4.37Å; I492-L538 HydrophobicContact CG1-CD1 4.46Å; I492-Y553 HydrophobicContact CD1-CE2 4.49Å; I492-Y553 WeakPolarHBondContact CD1-OH 3.4Å
493	Q	96.1	Very high	94.4	Very high	75 Å²	75	39.2 Å²	39.2	35%	0.35	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-63.3	141.9	178.6	-164	171.9	37.4	0	0	110.5	E524 Y529 L549	Q493-E524 PolarHBondContact NE2-OE1 3.4Å; Q493-Y529 HydrophobicContact CB-CD1 4.06Å; Q493-Y529 HydrophobicContact CB-CD2 3.94Å; Q493-Y529 HydrophobicContact CB-CE1 4.26Å; Q493-Y529 HydrophobicContact CB-CE2 4.17Å; Q493-Y529 HydrophobicContact CB-CG 3.89Å; Q493-Y529 HydrophobicContact CG-CD2 3.96Å; Q493-Y529 HydrophobicContact CG-CE1 4.31Å; Q493-Y529 HydrophobicContact CG-CE2 3.72Å; Q493-Y529 HydrophobicContact CG-CG 4.37Å; Q493-L549 HydrophobicContact CG-CD1 4.4Å; Q493-L549 HydrophobicContact CG-CD2 4.38Å
494	S	94.7	Very high	94.4	Very high	1 Å²	1	40 Å²	40	1%	0.007	21%	0.205	C	C	.	.			trans	-143	-175.1	-176.9	58.6	0	0	0	0	109.1	F496 L549 E550	S494-F496 PolarHBondContact O-N 2.99Å; S494-L549 WeakPolarHBondContact O-CD1 3.41Å; S494-E550 WeakPolarHBondContact CB-OE1 3.33Å
495	A	94.1	Very high	94.5	Very high	60 Å²	60	41.1 Å²	41.1	50%	0.496	22%	0.216	S	C	.	.	S	Bend	trans	-69.9	-9.9	174	0	0	0	0	0	113.2	E550	A495-E550 VanDerWaalsContact CB-OE1 3.24Å; A495-E550 WeakPolarHBondContact CB-OE1 3.24Å; A495-E550 PolarHBondContact N-OE1 3.23Å
496	F	93.9	Very high	94.5	Very high	62 Å²	62	41 Å²	41	27%	0.272	23%	0.23	S	C	.	.			trans	-69.5	130.7	174.2	-178.5	-107.2	0	0	0	111.7	W474 S494 G498 L500	W474-F496 AromaticContact CE2-CE1 3.98Å; W474-F496 HydrophobicContact CH2-CE1 4.49Å; W474-F496 HydrophobicContact CH2-CZ 4.22Å; W474-F496 HydrophobicContact CZ2-CD1 4.18Å; W474-F496 HydrophobicContact CZ2-CD2 4.21Å; W474-F496 AromaticContact CZ2-CE1 3.71Å; W474-F496 HydrophobicContact CZ2-CE1 3.71Å; W474-F496 AromaticContact CZ2-CE2 3.76Å; W474-F496 HydrophobicContact CZ2-CE2 3.76Å; W474-F496 HydrophobicContact CZ2-CG 4.4Å; W474-F496 AromaticContact CZ2-CZ 3.47Å; W474-F496 HydrophobicContact CZ2-CZ 3.47Å; W474-F496 VanDerWaalsContact CZ2-CZ 3.47Å; W474-F496 AromaticContact NE1-CD1 3.65Å; W474-F496 AromaticContact NE1-CD2 3.93Å; W474-F496 AromaticContact NE1-CG 3.55Å; S494-F496 PolarHBondContact O-N 2.99Å; F496-G498 VanDerWaalsContact CE1-C 3.45Å; F496-G498 VanDerWaalsContact CE1-CA 3.46Å; F496-G498 WeakPolarHBondContact CE1-O 3.39Å; F496-L500 HydrophobicContact CD1-CD2 3.76Å; F496-L500 HydrophobicContact CD1-CG 4.08Å; F496-L500 HydrophobicContact CE1-CD2 3.61Å; F496-L500 HydrophobicContact CE1-CG 4.02Å
497	K	93.2	Very high	94.5	Very high	101 Å²	101	38.4 Å²	38.4	44%	0.439	23%	0.226	S	C	.	.			trans	-121.8	15.9	-175.3	-63.6	-65.9	172.5	-175	0	114.6	E524	K497-E524 HydrophobicContact CD-CB 4.39Å; K497-E524 VanDerWaalsContact CD-CD 3.44Å; K497-E524 HydrophobicContact CD-CG 4.34Å; K497-E524 WeakPolarHBondContact CD-OE2 3.39Å; K497-E524 WeakPolarHBondContact CE-OE2 3.29Å; K497-E524 IonicContact NZ-OE1 2.72Å; K497-E524 PolarHBondContact NZ-OE1 3.24Å; K497-E524 IonicContact NZ-OE2 2.74Å; K497-E524 PolarHBondContact NZ-OE2 2.99Å; K497-E524 PolarHBondContact O-N 3.13Å; K497-E524 VanDerWaalsContact O-N 3.13Å
498	G	92.8	Very high	94.1	Very high	4 Å²	4	44 Å²	44	4%	0.041	26%	0.264	C	S	.	.	S	Bend	trans	-86.3	176.8	169.4	0	0	0	0	0	112.9	F496 N522	F496-G498 VanDerWaalsContact CE1-C 3.45Å; F496-G498 VanDerWaalsContact CE1-CA 3.46Å; F496-G498 WeakPolarHBondContact CE1-O 3.39Å; G498-N522 VanDerWaalsContact CA-O 3.26Å; G498-N522 WeakPolarHBondContact CA-O 3.31Å; G498-N522 VanDerWaalsContact CA-OD1 3.27Å; G498-N522 WeakPolarHBondContact CA-OD1 3.41Å
499	Q	93.4	Very high	94	Very high	16 Å²	16	46 Å²	46	8%	0.075	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-78	125.3	173.8	-158.4	-159.6	-80.9	0	0	110.6	N519 N522 L523 E525	Q499-N519 PolarHBondContact OE1-ND2 2.74Å; Q499-N519 PolarHBondContact OE1-O 2.97Å; Q499-N522 PolarHBondContact N-O 2.74Å; Q499-N522 PolarHBondContact N-OD1 3.07Å; Q499-L523 WeakPolarHBondContact CA-O 3.27Å; Q499-L523 WeakPolarHBondContact CB-O 3.39Å; Q499-L523 PolarHBondContact N-O 3.44Å; Q499-E525 HydrophobicContact CG-CB 4.15Å
500	L	95.6	Very high	93.9	Very high	3 Å²	3	46 Å²	46	2%	0.016	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-85.6	156.1	172.5	-69.4	174.4	0	0	0	112.3	W474 F491 F496 R528 Y529	W474-L500 HydrophobicContact CD2-CD2 3.39Å; W474-L500 HydrophobicContact CE3-CD2 3.68Å; W474-L500 HydrophobicContact CG-CD2 3.77Å; W474-L500 HydrophobicContact CH2-CD2 4.35Å; W474-L500 HydrophobicContact CZ2-CD2 4.1Å; W474-L500 HydrophobicContact CZ3-CD2 4.15Å; F491-L500 HydrophobicContact CB-CD1 3.72Å; F491-L500 HydrophobicContact CD1-CD1 3.97Å; F491-L500 HydrophobicContact CD1-CD2 4.49Å; F491-L500 HydrophobicContact CD2-CB 4.32Å; F491-L500 HydrophobicContact CD2-CD1 4.32Å; F491-L500 HydrophobicContact CE2-CB 4.49Å; F491-L500 HydrophobicContact CG-CB 4.5Å; F491-L500 HydrophobicContact CG-CD1 3.73Å; F496-L500 HydrophobicContact CD1-CD2 3.76Å; F496-L500 HydrophobicContact CD1-CG 4.08Å; F496-L500 HydrophobicContact CE1-CD2 3.61Å; F496-L500 HydrophobicContact CE1-CG 4.02Å; L500-R528 HydrophobicContact CB-CB 4.11Å; L500-R528 HydrophobicContact CB-CG 4.21Å; L500-Y529 HydrophobicContact CD1-CD1 4.31Å; L500-Y529 HydrophobicContact CD1-CE1 3.61Å
501	P	95.9	Very high	93.8	Very high	6 Å²	6	44.4 Å²	44.4	4%	0.039	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-57.4	160.9	168.7	-22.2	33.2	0	0	0	112.6	F87 M102 Q103 F491	F87-P501 HydrophobicContact CB-CG 3.86Å; F87-P501 HydrophobicContact CD1-CB 4.01Å; F87-P501 HydrophobicContact CD1-CG 3.6Å; F87-P501 HydrophobicContact CD2-CG 4.01Å; F87-P501 HydrophobicContact CE1-CG 4.09Å; F87-P501 HydrophobicContact CE2-CG 4.47Å; F87-P501 HydrophobicContact CG-CB 4.35Å; F87-P501 HydrophobicContact CG-CG 3.55Å; F87-P501 HydrophobicContact CZ-CG 4.5Å; M102-P501 HydrophobicContact CB-CB 4.05Å; Q103-P501 WeakPolarHBondContact O-CA 3.26Å; F491-P501 VanDerWaalsContact CE2-O 3.27Å; F491-P501 WeakPolarHBondContact CE2-O 3.37Å; F491-P501 HydrophobicContact CZ-CB 4.4Å; F491-P501 HydrophobicContact CZ-CG 4.43Å
502	Q	94.6	Very high	93.7	Very high	26 Å²	26	47.1 Å²	47.1	12%	0.121	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	161.9	171.9	74.1	164.1	18.4	0	0	111.5	M102 Q103 P515 M518 R528	M102-Q502 CarbonylContact C-O 3.48Å; M102-Q502 VanDerWaalsContact CA-O 3.25Å; M102-Q502 WeakPolarHBondContact CA-O 3.48Å; Q103-Q502 HydrophobicContact CG-CG 3.84Å; Q103-Q502 WeakPolarHBondContact CG-O 3.35Å; Q103-Q502 PolarHBondContact N-O 3.25Å; Q103-Q502 PolarHBondContact O-N 3.29Å; Q502-P515 VanDerWaalsContact NE2-CB 3.26Å; Q502-P515 VanDerWaalsContact NE2-CG 3.29Å; Q502-M518 HydrophobicContact CG-CE 3.64Å; Q502-R528 VanDerWaalsContact CB-NH1 3.34Å; Q502-R528 VanDerWaalsContact OE1-CZ 3.31Å
503	P	95.4	Very high	93.7	Very high	77 Å²	77	50.9 Å²	50.9	50%	0.5	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	148	167.7	-24.1	35	0	0	0	112.8	G101 M102 Q103	G101-P503 CarbonylContact O-C 3.57Å; G101-P503 WeakPolarHBondContact O-CA 3.42Å; M102-P503 HydrophobicContact CE-CG 4.17Å; M102-P503 HydrophobicContact SD-CB 4.46Å; M102-P503 HydrophobicContact SD-CG 3.99Å; Q103-P503 PolarHBondContact NE2-O 2.85Å
504	Y	95.8	Very high	93.6	Very high	16 Å²	16	52.1 Å²	52.1	6%	0.063	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-61.3	150.6	159.6	-84.5	-82.8	0	0	0	111.1	P92 F95 G101 M102 Q103 Y116 T511	P92-Y504 HydrophobicContact CB-CE2 4.33Å; P92-Y504 HydrophobicContact CG-CE2 4.46Å; F95-Y504 HydrophobicContact CB-CD2 3.5Å; F95-Y504 VanDerWaalsContact CB-CD2 3.5Å; F95-Y504 HydrophobicContact CB-CE2 3.74Å; F95-Y504 HydrophobicContact CB-CG 4.16Å; F95-Y504 AromaticContact CD1-CD1 3.99Å; F95-Y504 HydrophobicContact CD1-CD1 3.99Å; F95-Y504 AromaticContact CD1-CD2 3.98Å; F95-Y504 HydrophobicContact CD1-CD2 3.98Å; F95-Y504 HydrophobicContact CD1-CE1 4.17Å; F95-Y504 HydrophobicContact CD1-CE2 4.14Å; F95-Y504 AromaticContact CD1-CG 3.88Å; F95-Y504 HydrophobicContact CD1-CG 3.88Å; F95-Y504 HydrophobicContact CD2-CD1 4.37Å; F95-Y504 AromaticContact CD2-CD2 3.79Å; F95-Y504 HydrophobicContact CD2-CD2 3.79Å; F95-Y504 AromaticContact CD2-CG 3.59Å; F95-Y504 HydrophobicContact CD2-CG 3.59Å; F95-Y504 HydrophobicContact CE1-CD1 4.12Å; F95-Y504 HydrophobicContact CE1-CE1 4.49Å; F95-Y504 HydrophobicContact CE1-CG 4.27Å; F95-Y504 VanDerWaalsContact CE2-CB 3.49Å; F95-Y504 HydrophobicContact CE2-CD1 4.48Å; F95-Y504 AromaticContact CE2-CG 3.99Å; F95-Y504 HydrophobicContact CE2-CG 3.99Å; F95-Y504 HydrophobicContact CG-CD1 4.15Å; F95-Y504 AromaticContact CG-CD2 3.43Å; F95-Y504 HydrophobicContact CG-CD2 3.43Å; F95-Y504 VanDerWaalsContact CG-CD2 3.43Å; F95-Y504 AromaticContact CG-CE2 3.91Å; F95-Y504 HydrophobicContact CG-CE2 3.91Å; F95-Y504 AromaticContact CG-CG 3.55Å; F95-Y504 HydrophobicContact CG-CG 3.55Å; F95-Y504 HydrophobicContact CZ-CD1 4.38Å; F95-Y504 HydrophobicContact CZ-CG 4.33Å; G101-Y504 PolarHBondContact O-N 3.38Å; M102-Y504 WeakPolarHBondContact O-CE2 3.45Å; Q103-Y504 HydrophobicContact CB-CD1 4.45Å; Q103-Y504 HydrophobicContact CB-CD2 4.04Å; Q103-Y504 HydrophobicContact CB-CE1 4.05Å; Q103-Y504 HydrophobicContact CB-CE2 3.62Å; Q103-Y504 HydrophobicContact CB-CG 4.45Å; Q103-Y504 HydrophobicContact CG-CD1 4.22Å; Q103-Y504 HydrophobicContact CG-CD2 4.15Å; Q103-Y504 HydrophobicContact CG-CE1 4.27Å; Q103-Y504 HydrophobicContact CG-CE2 4.23Å; Q103-Y504 HydrophobicContact CG-CG 4.17Å; Y116-Y504 PolarHBondContact OH-OH 2.97Å; Y116-Y504 VanDerWaalsContact OH-OH 3.1Å; Y504-T511 HydrophobicContact CD1-CG2 4.47Å; Y504-T511 HydrophobicContact CE1-CG2 3.99Å
505	A	93.9	Very high	93.5	Very high	35 Å²	35	52.8 Å²	52.8	29%	0.289	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-66.7	161.5	170.1	0	0	0	0	0	111.1	A510 I513	A505-A510 HydrophobicContact CB-CB 4.02Å; A505-A510 WeakPolarHBondContact O-CB 3.38Å; A505-I513 HydrophobicContact CB-CD1 3.95Å
506	S	89.5	Confident	93.2	Very high	123 Å²	123	53.2 Å²	53.2	86%	0.86	32%	0.315	S	S	*	.	S	Bend	trans	-84.8	137.7	174.6	-61.5	0	0	0	0	111.5
507	G	88.9	Confident	93	Very high	44 Å²	44	54.5 Å²	54.5	45%	0.454	33%	0.325	S	S	.	.	S	Bend	trans	109.8	174.7	170.8	0	0	0	0	0	114.9	Q509 A510	G507-Q509 VanDerWaalsContact C-N 3.29Å; G507-Q509 PolarHBondContact O-N 3.33Å; G507-A510 VanDerWaalsContact O-CB 3.31Å; G507-A510 WeakPolarHBondContact O-CB 3.16Å; G507-A510 PolarHBondContact O-N 2.93Å
508	P	85.8	Confident	92.9	Very high	136 Å²	136	50.8 Å²	50.8	88%	0.883	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-20.7	-168.1	27.6	-35.7	0	0	0	114.6
509	Q	91.5	Very high	92.8	Very high	127 Å²	127	52 Å²	52	59%	0.593	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	12.1	179.2	-64.2	-175.5	-71.7	0	0	113.1	G507 T511 Q512 I513	G507-Q509 VanDerWaalsContact C-N 3.29Å; G507-Q509 PolarHBondContact O-N 3.33Å; Q509-T511 PolarHBondContact O-N 3.19Å; Q509-T511 VanDerWaalsContact O-N 3.1Å; Q509-Q512 WeakPolarHBondContact O-CA 3.44Å; Q509-Q512 WeakPolarHBondContact O-CB 3.36Å; Q509-Q512 PolarHBondContact O-N 3.43Å; Q509-I513 PolarHBondContact O-N 3.36Å
510	A	94.6	Very high	92.6	Very high	2 Å²	2	53.3 Å²	53.3	2%	0.017	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.8	-172.1	0	0	0	0	0	115.1	F95 A505 G507	F95-A510 HydrophobicContact CE1-CB 4.41Å; F95-A510 HydrophobicContact CE2-CB 4.31Å; F95-A510 HydrophobicContact CZ-CB 3.66Å; A505-A510 HydrophobicContact CB-CB 4.02Å; A505-A510 WeakPolarHBondContact O-CB 3.38Å; G507-A510 VanDerWaalsContact O-CB 3.31Å; G507-A510 WeakPolarHBondContact O-CB 3.16Å; G507-A510 PolarHBondContact O-N 2.93Å
511	T	95.8	Very high	92.3	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.043	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-13.5	176.5	60.1	0	0	0	0	113.4	F95 P109 Y116 F275 Y504 Q509	F95-T511 HydrophobicContact CD1-CG2 4.37Å; F95-T511 HydrophobicContact CE1-CG2 3.83Å; P109-T511 WeakPolarHBondContact CG-O 3.37Å; Y116-T511 HydrophobicContact CE1-CG2 3.72Å; F275-T511 HydrophobicContact CD1-CG2 4.07Å; F275-T511 CarbonylContact O-C 3.52Å; F275-T511 VanDerWaalsContact O-C 3.23Å; F275-T511 VanDerWaalsContact O-CB 3.25Å; F275-T511 WeakPolarHBondContact O-CB 3.22Å; F275-T511 PolarHBondContact O-OG1 3.13Å; Y504-T511 HydrophobicContact CD1-CG2 4.47Å; Y504-T511 HydrophobicContact CE1-CG2 3.99Å; Q509-T511 PolarHBondContact O-N 3.19Å; Q509-T511 VanDerWaalsContact O-N 3.1Å
512	Q	96.2	Very high	92.1	Very high	63 Å²	63	58.8 Å²	58.8	29%	0.294	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-13.1	179.2	-57.7	-179.9	-19.2	0	0	112.2	F274 F275 Q509	F274-Q512 PolarHBondContact O-NE2 3.31Å; F275-Q512 VanDerWaalsContact O-CG 3.23Å; F275-Q512 WeakPolarHBondContact O-CG 3.49Å; Q509-Q512 WeakPolarHBondContact O-CA 3.44Å; Q509-Q512 WeakPolarHBondContact O-CB 3.36Å; Q509-Q512 PolarHBondContact O-N 3.43Å
513	I	95.3	Very high	92	Very high	85 Å²	85	62 Å²	62	44%	0.436	37%	0.366	S	S	.	.	S	Bend	trans	-76.8	123.6	175.2	-66.9	170	0	0	0	108.8	P109 A505 Q509 P515	P109-I513 WeakPolarHBondContact CD-O 3.27Å; A505-I513 HydrophobicContact CB-CD1 3.95Å; Q509-I513 PolarHBondContact O-N 3.36Å; I513-P515 VanDerWaalsContact O-CD 3.25Å; I513-P515 WeakPolarHBondContact O-CD 3.34Å
514	I	95.4	Very high	92	Very high	100 Å²	100	61 Å²	61	51%	0.513	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-70.3	120.3	167.2	-63.7	172	0	0	0	108.3	P109 L110	P109-I514 HydrophobicContact CB-CG1 3.88Å; P109-I514 HydrophobicContact CG-CG1 4.35Å; L110-I514 HydrophobicContact CB-CG2 4.31Å
515	P	92	Very high	92	Very high	16 Å²	16	61.9 Å²	61.9	10%	0.104	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-60.7	143.3	175.2	-32.7	43.9	0	0	0	114.1	S108 Q502 I513 M518	S108-P515 WeakPolarHBondContact OG-CD 3.48Å; Q502-P515 VanDerWaalsContact NE2-CB 3.26Å; Q502-P515 VanDerWaalsContact NE2-CG 3.29Å; I513-P515 VanDerWaalsContact O-CD 3.25Å; I513-P515 WeakPolarHBondContact O-CD 3.34Å; P515-M518 HydrophobicContact CB-CG 3.85Å; P515-M518 HydrophobicContact CB-SD 3.43Å; P515-M518 WeakPolarHBondContact CB-SD 3.32Å; P515-M518 HydrophobicContact CG-SD 3.5Å; P515-M518 VanDerWaalsContact CG-SD 3.5Å
516	A	87.9	Confident	92	Very high	69 Å²	69	64 Å²	64	57%	0.57	37%	0.371	S	S	*	.	S	Bend	trans	-67.4	147.3	158.6	0	0	0	0	0	110.2	M518 R528	A516-M518 PolarHBondContact O-N 3.34Å; A516-R528 PolarHBondContact O-NH2 3.39Å
517	N	89.4	Confident	92.2	Very high	88 Å²	88	61.3 Å²	61.3	47%	0.471	35%	0.352	S	S	.	.	S	Bend	trans	60.3	46.8	167.2	-50.8	-2.1	0	0	0	113.9	E525 S527 R528	N517-E525 HydrophobicContact CB-CG 3.93Å; N517-E525 WeakPolarHBondContact CB-OE2 3.42Å; N517-S527 PolarHBondContact ND2-OG 2.88Å; N517-R528 PolarHBondContact O-NH2 3.34Å
518	M	91.8	Very high	92.4	Very high	24 Å²	24	60.7 Å²	60.7	12%	0.118	34%	0.335	C	S	.	.			trans	-118	142.3	168.7	-75.7	-173	145.9	0	0	110.2	T104 W105 Q502 P515 A516	T104-M518 VanDerWaalsContact C-CE 3.42Å; T104-M518 WeakPolarHBondContact O-CE 3.42Å; W105-M518 VanDerWaalsContact CA-SD 3.58Å; W105-M518 HydrophobicContact CB-CB 4.11Å; W105-M518 HydrophobicContact CB-CG 4.38Å; W105-M518 HydrophobicContact CB-SD 4.17Å; Q502-M518 HydrophobicContact CG-CE 3.64Å; P515-M518 HydrophobicContact CB-CG 3.85Å; P515-M518 HydrophobicContact CB-SD 3.43Å; P515-M518 WeakPolarHBondContact CB-SD 3.32Å; P515-M518 HydrophobicContact CG-SD 3.5Å; P515-M518 VanDerWaalsContact CG-SD 3.5Å; A516-M518 PolarHBondContact O-N 3.34Å
519	N	90.8	Very high	92.9	Very high	28 Å²	28	55.9 Å²	55.9	15%	0.15	30%	0.3	C	S	.	.			trans	-136.9	153.1	178.3	69.7	86.6	0	0	0	110.6	Q499 Q521 N522 L523	Q499-N519 PolarHBondContact OE1-ND2 2.74Å; Q499-N519 PolarHBondContact OE1-O 2.97Å; N519-Q521 VanDerWaalsContact C-N 3.3Å; N519-Q521 WeakPolarHBondContact OD1-CA 3.3Å; N519-Q521 PolarHBondContact OD1-N 3.27Å; N519-Q521 VanDerWaalsContact OD1-N 3.09Å; N519-N522 PolarHBondContact OD1-N 3.42Å; N519-L523 PolarHBondContact ND2-O 2.84Å; N519-L523 PolarHBondContact OD1-N 2.88Å
520	D	87.8	Confident	93.1	Very high	45 Å²	45	51.3 Å²	51.3	24%	0.241	28%	0.281	C	S	.	.	S	Bend	trans	-94.6	17.1	175.7	56.7	-48.2	0	0	0	112.7	W105 Y111 Y289 L299	W105-D520 HydrophobicContact CD2-CB 4.38Å; W105-D520 HydrophobicContact CE3-CB 3.87Å; W105-D520 HydrophobicContact CH2-CB 4.02Å; W105-D520 HydrophobicContact CZ3-CB 3.67Å; Y111-D520 HydrophobicContact CD1-CB 4.1Å; Y111-D520 HydrophobicContact CE1-CB 3.47Å; Y111-D520 VanDerWaalsContact CE1-CB 3.47Å; Y111-D520 VanDerWaalsContact CE1-OD1 3.31Å; Y111-D520 WeakPolarHBondContact CE1-OD1 3.46Å; Y111-D520 HydrophobicContact CE2-CB 4.46Å; Y111-D520 VanDerWaalsContact CZ-OD1 3.32Å; Y111-D520 PolarHBondContact OH-N 2.84Å; Y111-D520 PolarHBondContact OH-OD1 3.41Å; Y289-D520 HydrophobicContact CE2-CB 4.03Å; Y289-D520 PolarHBondContact OH-O 2.86Å; L299-D520 VanDerWaalsContact CD2-O 3.23Å; L299-D520 WeakPolarHBondContact CD2-O 3.42Å
521	Q	89.3	Confident	93.2	Very high	89 Å²	89	54.5 Å²	54.5	42%	0.416	30%	0.297	S	S	.	.	S	Bend	trans	-115.5	11.6	-178.6	-63.6	-175.7	4.3	0	0	112.7	N519 L523	N519-Q521 VanDerWaalsContact C-N 3.3Å; N519-Q521 WeakPolarHBondContact OD1-CA 3.3Å; N519-Q521 PolarHBondContact OD1-N 3.27Å; N519-Q521 VanDerWaalsContact OD1-N 3.09Å; Q521-L523 HydrophobicContact CB-CD1 4.18Å; Q521-L523 HydrophobicContact CB-CG 3.94Å; Q521-L523 PolarHBondContact O-N 3.31Å; Q521-L523 VanDerWaalsContact O-N 3.1Å
522	N	91.9	Very high	93.1	Very high	34 Å²	34	56.5 Å²	56.5	18%	0.182	31%	0.307	C	S	.	.			trans	50.3	36.1	177.5	-169.5	25	0	0	0	113.6	L299 Y300 G498 Q499 N519	L299-N522 HydrophobicContact CD1-CB 4.35Å; L299-N522 HydrophobicContact CD2-CB 3.87Å; L299-N522 HydrophobicContact CG-CB 3.86Å; Y300-N522 HydrophobicContact CE1-CB 4.08Å; G498-N522 VanDerWaalsContact CA-O 3.26Å; G498-N522 WeakPolarHBondContact CA-O 3.31Å; G498-N522 VanDerWaalsContact CA-OD1 3.27Å; G498-N522 WeakPolarHBondContact CA-OD1 3.41Å; Q499-N522 PolarHBondContact N-O 2.74Å; Q499-N522 PolarHBondContact N-OD1 3.07Å; N519-N522 PolarHBondContact OD1-N 3.42Å
523	L	92.9	Very high	92.9	Very high	94 Å²	94	60.9 Å²	60.9	49%	0.492	33%	0.325	S	S	.	.			trans	-81.8	144.8	179.7	-57.2	174.5	0	0	0	111.3	Q499 N519 Q521 E525	Q499-L523 WeakPolarHBondContact CA-O 3.27Å; Q499-L523 WeakPolarHBondContact CB-O 3.39Å; Q499-L523 PolarHBondContact N-O 3.44Å; N519-L523 PolarHBondContact ND2-O 2.84Å; N519-L523 PolarHBondContact OD1-N 2.88Å; Q521-L523 HydrophobicContact CB-CD1 4.18Å; Q521-L523 HydrophobicContact CB-CG 3.94Å; Q521-L523 PolarHBondContact O-N 3.31Å; Q521-L523 VanDerWaalsContact O-N 3.1Å; L523-E525 PolarHBondContact O-N 3.37Å
524	E	94.9	Very high	92.8	Very high	56 Å²	56	62 Å²	62	26%	0.262	33%	0.329	S	S	.	.			trans	-51.8	127	173.5	-179.1	177.3	-152.9	0	0	110.3	Q493 K497 Y529	Q493-E524 PolarHBondContact NE2-OE1 3.4Å; K497-E524 HydrophobicContact CD-CB 4.39Å; K497-E524 VanDerWaalsContact CD-CD 3.44Å; K497-E524 HydrophobicContact CD-CG 4.34Å; K497-E524 WeakPolarHBondContact CD-OE2 3.39Å; K497-E524 WeakPolarHBondContact CE-OE2 3.29Å; K497-E524 IonicContact NZ-OE1 2.72Å; K497-E524 PolarHBondContact NZ-OE1 3.24Å; K497-E524 IonicContact NZ-OE2 2.74Å; K497-E524 PolarHBondContact NZ-OE2 2.99Å; K497-E524 PolarHBondContact O-N 3.13Å; K497-E524 VanDerWaalsContact O-N 3.13Å; E524-Y529 HydrophobicContact CG-CE2 4.2Å; E524-Y529 WeakPolarHBondContact OE1-CE2 3.44Å; E524-Y529 PolarHBondContact OE1-OH 3.15Å
525	E	95.6	Very high	92.8	Very high	35 Å²	35	57.2 Å²	57.2	16%	0.164	30%	0.304	C	S	.	.			trans	-114.6	100.9	173.5	175.8	42.5	-120.3	0	0	109.9	Q499 N517 L523 S527 R528	Q499-E525 HydrophobicContact CG-CB 4.15Å; N517-E525 HydrophobicContact CB-CG 3.93Å; N517-E525 WeakPolarHBondContact CB-OE2 3.42Å; L523-E525 PolarHBondContact O-N 3.37Å; E525-S527 VanDerWaalsContact CD-OG 3.28Å; E525-S527 PolarHBondContact O-N 3.45Å; E525-S527 VanDerWaalsContact O-N 3.15Å; E525-S527 WeakPolarHBondContact OE1-CB 3.29Å; E525-S527 PolarHBondContact OE1-N 3.48Å; E525-S527 PolarHBondContact OE1-OG 3.01Å; E525-R528 HydrophobicContact CB-CG 4Å; E525-R528 HydrophobicContact CG-CG 3.97Å; E525-R528 WeakPolarHBondContact O-CB 3.3Å; E525-R528 WeakPolarHBondContact O-CG 3.4Å; E525-R528 PolarHBondContact O-N 3.4Å; E525-R528 VanDerWaalsContact O-N 3.11Å
526	P	94.8	Very high	92.9	Very high	80 Å²	80	57.9 Å²	57.9	52%	0.519	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-60.3	-25.2	-175.1	-27.4	36.7	0	0	0	115.2	R528 Y529	P526-R528 PolarHBondContact O-N 2.88Å; P526-R528 VanDerWaalsContact O-N 3.16Å; P526-Y529 WeakPolarHBondContact O-CD2 3.47Å; P526-Y529 PolarHBondContact O-N 2.92Å
527	S	94	Very high	93.3	Very high	66 Å²	66	54.7 Å²	54.7	46%	0.462	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-71	-1.6	177	65.2	0	0	0	0	114.6	N517 E525	N517-S527 PolarHBondContact ND2-OG 2.88Å; E525-S527 VanDerWaalsContact CD-OG 3.28Å; E525-S527 PolarHBondContact O-N 3.45Å; E525-S527 VanDerWaalsContact O-N 3.15Å; E525-S527 WeakPolarHBondContact OE1-CB 3.29Å; E525-S527 PolarHBondContact OE1-N 3.48Å; E525-S527 PolarHBondContact OE1-OG 3.01Å
528	R	93.8	Very high	93.7	Very high	30 Å²	30	50.5 Å²	50.5	11%	0.113	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-79.5	-16.2	169.5	-52.2	-58.1	156.1	-151.1	8.1	113.5	L500 Q502 A516 N517 E525 P526	L500-R528 HydrophobicContact CB-CB 4.11Å; L500-R528 HydrophobicContact CB-CG 4.21Å; Q502-R528 VanDerWaalsContact CB-NH1 3.34Å; Q502-R528 VanDerWaalsContact OE1-CZ 3.31Å; A516-R528 PolarHBondContact O-NH2 3.39Å; N517-R528 PolarHBondContact O-NH2 3.34Å; E525-R528 HydrophobicContact CB-CG 4Å; E525-R528 HydrophobicContact CG-CG 3.97Å; E525-R528 WeakPolarHBondContact O-CB 3.3Å; E525-R528 WeakPolarHBondContact O-CG 3.4Å; E525-R528 PolarHBondContact O-N 3.4Å; E525-R528 VanDerWaalsContact O-N 3.11Å; P526-R528 PolarHBondContact O-N 2.88Å; P526-R528 VanDerWaalsContact O-N 3.16Å
529	Y	95.7	Very high	94	Very high	36 Å²	36	49.4 Å²	49.4	14%	0.141	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-92.9	145.4	-174.8	-51.3	-55.7	0	0	0	113.5	F491 Q493 L500 E524 P526	F491-Y529 HydrophobicContact CB-CD1 4.3Å; F491-Y529 CarbonylContact O-C 3.59Å; F491-Y529 WeakPolarHBondContact O-CA 3.26Å; Q493-Y529 HydrophobicContact CB-CD1 4.06Å; Q493-Y529 HydrophobicContact CB-CD2 3.94Å; Q493-Y529 HydrophobicContact CB-CE1 4.26Å; Q493-Y529 HydrophobicContact CB-CE2 4.17Å; Q493-Y529 HydrophobicContact CB-CG 3.89Å; Q493-Y529 HydrophobicContact CG-CD2 3.96Å; Q493-Y529 HydrophobicContact CG-CE1 4.31Å; Q493-Y529 HydrophobicContact CG-CE2 3.72Å; Q493-Y529 HydrophobicContact CG-CG 4.37Å; L500-Y529 HydrophobicContact CD1-CD1 4.31Å; L500-Y529 HydrophobicContact CD1-CE1 3.61Å; E524-Y529 HydrophobicContact CG-CE2 4.2Å; E524-Y529 WeakPolarHBondContact OE1-CE2 3.44Å; E524-Y529 PolarHBondContact OE1-OH 3.15Å; P526-Y529 WeakPolarHBondContact O-CD2 3.47Å; P526-Y529 PolarHBondContact O-N 2.92Å
530	V	96.3	Very high	94.2	Very high	31 Å²	31	48.1 Å²	48.1	19%	0.188	25%	0.245	C	C	.	.			trans	-108.9	154.1	168.1	-58.8	0	0	0	0	111.6	H490 F491 I492 I532	H490-V530 HydrophobicContact CB-CG1 4.1Å; H490-V530 HydrophobicContact CB-CG2 3.8Å; F491-V530 PolarHBondContact O-N 3.43Å; I492-V530 HydrophobicContact CG2-CG2 4.28Å; V530-I532 PolarHBondContact O-N 2.87Å
531	D	95.3	Very high	94.5	Very high	69 Å²	69	46.9 Å²	46.9	37%	0.369	24%	0.238	S	C	.	.			trans	-62.8	128	167.6	-178.5	-31.9	0	0	0	108.5	K533 Q534	D531-K533 PolarHBondContact O-N 2.99Å; D531-K533 WeakPolarHBondContact OD1-CB 3.47Å; D531-K533 VanDerWaalsContact OD1-CG 3.23Å; D531-K533 WeakPolarHBondContact OD1-CG 3.24Å; D531-K533 PolarHBondContact OD1-N 3.38Å; D531-K533 IonicContact OD1-NZ 3.45Å; D531-K533 PolarHBondContact OD1-NZ 3.11Å; D531-K533 IonicContact OD2-NZ 2.79Å; D531-K533 PolarHBondContact OD2-NZ 3.23Å; D531-Q534 HydrophobicContact CB-CG 4.3Å; D531-Q534 VanDerWaalsContact O-CB 3.26Å; D531-Q534 WeakPolarHBondContact O-CB 3.16Å; D531-Q534 WeakPolarHBondContact O-CG 3.35Å; D531-Q534 PolarHBondContact O-N 3.41Å
532	I	93.8	Very high	94.6	Very high	49 Å²	49	43.9 Å²	43.9	25%	0.251	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-51.3	-25.4	179.4	-171.2	166.2	0	0	0	114.1	I492 V530 Q534 C535 L538 Y553 W560	I492-I532 HydrophobicContact CD1-CD1 4.12Å; I492-I532 HydrophobicContact CG2-CB 4.29Å; V530-I532 PolarHBondContact O-N 2.87Å; I532-Q534 VanDerWaalsContact C-N 3.25Å; I532-Q534 PolarHBondContact O-N 3.09Å; I532-C535 WeakPolarHBondContact O-CB 3.34Å; I532-C535 PolarHBondContact O-N 3.09Å; I532-C535 PolarHBondContact O-SG 3.27Å; I532-C535 VanDerWaalsContact O-SG 3.36Å; I532-L538 HydrophobicContact CD1-CD2 4.29Å; I532-Y553 HydrophobicContact CD1-CD1 3.98Å; I532-Y553 HydrophobicContact CD1-CE1 3.4Å; I532-Y553 VanDerWaalsContact CD1-CE1 3.4Å; I532-W560 HydrophobicContact CD1-CZ2 4Å; I532-W560 HydrophobicContact CG1-CH2 4.47Å; I532-W560 HydrophobicContact CG1-CZ2 3.82Å
533	K	92.8	Very high	94.4	Very high	155 Å²	155	44 Å²	44	67%	0.674	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-67	-23.4	175.2	-61.3	166.9	-154.5	118.3	0	113.3	D531 C535 R603	D531-K533 PolarHBondContact O-N 2.99Å; D531-K533 WeakPolarHBondContact OD1-CB 3.47Å; D531-K533 VanDerWaalsContact OD1-CG 3.23Å; D531-K533 WeakPolarHBondContact OD1-CG 3.24Å; D531-K533 PolarHBondContact OD1-N 3.38Å; D531-K533 IonicContact OD1-NZ 3.45Å; D531-K533 PolarHBondContact OD1-NZ 3.11Å; D531-K533 IonicContact OD2-NZ 2.79Å; D531-K533 PolarHBondContact OD2-NZ 3.23Å; K533-C535 VanDerWaalsContact C-N 3.34Å; K533-R603 PolarHBondContact O-NH2 2.89Å
534	Q	93.1	Very high	93.9	Very high	108 Å²	108	42.4 Å²	42.4	51%	0.505	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-73.8	-28.9	176.5	-56.1	-177.8	31.5	0	0	111.5	D531 I532 H536 R603	D531-Q534 HydrophobicContact CB-CG 4.3Å; D531-Q534 VanDerWaalsContact O-CB 3.26Å; D531-Q534 WeakPolarHBondContact O-CB 3.16Å; D531-Q534 WeakPolarHBondContact O-CG 3.35Å; D531-Q534 PolarHBondContact O-N 3.41Å; I532-Q534 VanDerWaalsContact C-N 3.25Å; I532-Q534 PolarHBondContact O-N 3.09Å; Q534-H536 PolarHBondContact O-N 2.7Å; Q534-H536 PolarHBondContact O-ND1 3.2Å; Q534-R603 PolarHBondContact O-NH2 3.47Å
535	C	94.5	Very high	93.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.			trans	-56.6	136.9	176.6	-52.9	0	0	0	0	111.2	C469 I532 K533 W560 R603	C469-C535 HydrophobicContact CB-CB 3.79Å; C469-C535 WeakPolarHBondContact CB-SG 3.37Å; C469-C535 VanDerWaalsContact SG-CA 3.59Å; C469-C535 WeakPolarHBondContact SG-CB 3.46Å; C469-C535 CovalentContact SG-SG 2.02Å; C469-C535 PolarHBondContact SG-SG 3.19Å; I532-C535 WeakPolarHBondContact O-CB 3.34Å; I532-C535 PolarHBondContact O-N 3.09Å; I532-C535 PolarHBondContact O-SG 3.27Å; I532-C535 VanDerWaalsContact O-SG 3.36Å; K533-C535 VanDerWaalsContact C-N 3.34Å; C535-W560 HydrophobicContact CB-CH2 4.22Å; C535-R603 PolarHBondContact O-NH2 3.2Å; C535-R603 VanDerWaalsContact O-NH2 3.09Å
536	H	95.2	Very high	93.1	Very high	29 Å²	29	49.3 Å²	49.3	13%	0.134	25%	0.25	C	C	.	.	S	Bend	trans	-96.1	-39.1	169.9	-62.7	83.1	0	0	0	109.8	V460 V466 S467 Q534 A601 R603	V460-H536 VanDerWaalsContact CG2-CD2 3.4Å; V460-H536 WeakPolarHBondContact CG2-CD2 3.32Å; V466-H536 HydrophobicContact CG1-CB 3.93Å; S467-H536 PolarHBondContact N-ND1 2.93Å; S467-H536 PolarHBondContact O-N 3.47Å; Q534-H536 PolarHBondContact O-N 2.7Å; Q534-H536 PolarHBondContact O-ND1 3.2Å; H536-A601 PolarHBondContact O-N 3.04Å; H536-R603 PolarHBondContact CD2-NH1 3.43Å; H536-R603 PolarHBondContact CD2-NH2 3.01Å; H536-R603 PolarHBondContact NE2-NH1 2.89Å; H536-R603 PolarHBondContact NE2-NH2 3.44Å
537	Y	96.7	Very high	92.9	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.2	172	-57.5	-89.8	0	0	0	109.9	F448 I451 L457 H458 V466 S467 C469 W487 I598 L599 K600	F448-Y537 HydrophobicContact CE1-CD1 4.21Å; F448-Y537 HydrophobicContact CE1-CD2 4.49Å; F448-Y537 AromaticContact CE1-CG 3.94Å; F448-Y537 HydrophobicContact CE1-CG 3.94Å; I451-Y537 HydrophobicContact CG2-CE1 3.82Å; I451-Y537 WeakPolarHBondContact CG2-OH 3.34Å; L457-Y537 PolarHBondContact O-OH 3.49Å; H458-Y537 AromaticContact ND1-CE2 3.85Å; H458-Y537 AromaticContact ND1-CZ 3.84Å; H458-Y537 PolarHBondContact ND1-OH 3.03Å; V466-Y537 HydrophobicContact CG1-CD2 3.93Å; V466-Y537 HydrophobicContact CG1-CE2 3.84Å; S467-Y537 PolarHBondContact O-N 3.25Å; C469-Y537 PolarHBondContact N-O 3.27Å; W487-Y537 HydrophobicContact CE3-CD2 4.35Å; W487-Y537 HydrophobicContact CE3-CE2 4.48Å; W487-Y537 AromaticContact CH2-CD2 3.89Å; W487-Y537 HydrophobicContact CH2-CD2 3.89Å; W487-Y537 AromaticContact CH2-CE2 3.28Å; W487-Y537 HydrophobicContact CH2-CE2 3.28Å; W487-Y537 AromaticContact CH2-CZ 3.73Å; W487-Y537 HydrophobicContact CZ2-CE2 4.23Å; W487-Y537 AromaticContact CZ3-CD2 3.48Å; W487-Y537 HydrophobicContact CZ3-CD2 3.48Å; W487-Y537 VanDerWaalsContact CZ3-CD2 3.48Å; W487-Y537 AromaticContact CZ3-CE2 3.42Å; W487-Y537 HydrophobicContact CZ3-CE2 3.42Å; W487-Y537 VanDerWaalsContact CZ3-CE2 3.42Å; W487-Y537 HydrophobicContact CZ3-CG 4.26Å; Y537-I598 HydrophobicContact CD1-CG2 3.9Å; Y537-L599 CarbonylContact C-O 3.58Å; Y537-L599 WeakPolarHBondContact CA-O 3.29Å; Y537-K600 HydrophobicContact CD1-CB 3.87Å; Y537-K600 HydrophobicContact CD1-CG 4.35Å; Y537-K600 HydrophobicContact CE1-CB 3.77Å; Y537-K600 HydrophobicContact CE1-CD 4.17Å; Y537-K600 HydrophobicContact CE1-CG 3.93Å
538	L	96.9	Very high	92.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.1	174.5	171.1	60.1	0	0	0	107.8	C469 I492 I532 Y553 W560 L599	C469-L538 HydrophobicContact CB-CD1 4.06Å; C469-L538 WeakPolarHBondContact O-CA 3.47Å; C469-L538 WeakPolarHBondContact O-CD1 3.45Å; I492-L538 HydrophobicContact CD1-CD1 3.74Å; I492-L538 HydrophobicContact CD1-CD2 4.37Å; I492-L538 HydrophobicContact CG1-CD1 4.46Å; I532-L538 HydrophobicContact CD1-CD2 4.29Å; L538-Y553 HydrophobicContact CD2-CD1 3.89Å; L538-Y553 HydrophobicContact CD2-CD2 3.72Å; L538-Y553 HydrophobicContact CD2-CE1 4.17Å; L538-Y553 HydrophobicContact CD2-CE2 3.99Å; L538-Y553 HydrophobicContact CD2-CG 3.66Å; L538-W560 HydrophobicContact CB-CE3 4.39Å; L538-W560 HydrophobicContact CB-CH2 3.74Å; L538-W560 HydrophobicContact CB-CZ2 4.48Å; L538-W560 HydrophobicContact CB-CZ3 3.68Å; L538-W560 HydrophobicContact CD2-CH2 4.18Å; L538-W560 HydrophobicContact CD2-CZ2 4.1Å; L538-L599 HydrophobicContact CB-CB 4.34Å; L538-L599 HydrophobicContact CD2-CD1 4.28Å; L538-L599 HydrophobicContact CG-CD1 4.46Å; L538-L599 PolarHBondContact N-O 3.31Å; L538-L599 PolarHBondContact O-N 3.44Å
539	V	97.6	Very high	92.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.3	172.1	-171.6	0	0	0	0	108.9	L444 Y445 F448 V468 C469 V470 Y596 M597 I598	L444-V539 HydrophobicContact CD2-CG1 4.28Å; Y445-V539 HydrophobicContact CE1-CG2 4.16Å; Y445-V539 HydrophobicContact CE2-CG1 4.01Å; F448-V539 HydrophobicContact CE2-CG2 3.92Å; F448-V539 HydrophobicContact CZ-CG2 3.67Å; V468-V539 HydrophobicContact CG1-CG2 4.04Å; C469-V539 PolarHBondContact O-N 3.08Å; V470-V539 HydrophobicContact CG1-CB 4.27Å; V539-Y596 HydrophobicContact CG1-CE1 3.77Å; V539-Y596 HydrophobicContact CG1-CE2 4.44Å; V539-M597 WeakPolarHBondContact CA-O 3.47Å; V539-I598 HydrophobicContact CG2-CG1 4.29Å
540	D	96.1	Very high	92.4	Very high	2 Å²	2	53 Å²	53	1%	0.011	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	160.4	-174.7	-174.5	42.9	0	0	0	112.2	K472 Y553 M597	K472-D540 WeakPolarHBondContact CE-OD1 3.4Å; K472-D540 IonicContact NZ-OD1 2.83Å; K472-D540 PolarHBondContact NZ-OD1 2.94Å; K472-D540 IonicContact NZ-OD2 3.32Å; K472-D540 PolarHBondContact NZ-OD2 2.97Å; D540-Y553 HydrophobicContact CB-CD2 4.38Å; D540-M597 HydrophobicContact CB-CE 4.25Å; D540-M597 PolarHBondContact N-O 3.26Å; D540-M597 VanDerWaalsContact N-O 3.15Å; D540-M597 WeakPolarHBondContact O-CG 3.37Å; D540-M597 PolarHBondContact O-N 3.35Å
541	L	94.8	Very high	92.2	Very high	18 Å²	18	53.5 Å²	53.5	9%	0.094	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.2	169.8	179.2	59.6	0	0	0	109.8	K472 E473 T543 F568 R594 Y596	K472-L541 WeakPolarHBondContact CE-O 3.44Å; K472-L541 PolarHBondContact NZ-O 3.15Å; E473-L541 HydrophobicContact CG-CB 3.58Å; L541-T543 PolarHBondContact O-N 3.16Å; L541-F568 HydrophobicContact CD1-CB 4.06Å; L541-F568 HydrophobicContact CD1-CD1 3.78Å; L541-F568 HydrophobicContact CD1-CG 4.23Å; L541-F568 HydrophobicContact CD2-CD1 3.72Å; L541-F568 HydrophobicContact CD2-CE1 3.86Å; L541-F568 HydrophobicContact CG-CD1 4.44Å; L541-R594 HydrophobicContact CD1-CB 4.07Å; L541-Y596 HydrophobicContact CB-CD2 4.05Å; L541-Y596 HydrophobicContact CD1-CD2 4.29Å
542	E	91.3	Very high	92	Very high	27 Å²	27	54.3 Å²	54.3	13%	0.126	27%	0.274	C	S	.	.			trans	-68.9	97.5	178.1	-171.4	163.9	-112.3	0	0	112.1	S554 R594 R595 M597	E542-S554 WeakPolarHBondContact OE1-CB 3.28Å; E542-S554 PolarHBondContact OE1-OG 3.06Å; E542-R594 WeakPolarHBondContact O-CB 3.27Å; E542-R594 WeakPolarHBondContact O-CG 3.25Å; E542-R595 HydrophobicContact CB-CB 4.33Å; E542-R595 PolarHBondContact N-O 3.15Å; E542-R595 IonicContact OE1-CZ 3.64Å; E542-R595 IonicContact OE1-NE 3.78Å; E542-R595 IonicContact OE1-NH2 2.72Å; E542-R595 PolarHBondContact OE1-NH2 3.37Å; E542-R595 IonicContact OE2-CZ 3.26Å; E542-R595 VanDerWaalsContact OE2-CZ 3.26Å; E542-R595 IonicContact OE2-NE 2.74Å; E542-R595 PolarHBondContact OE2-NE 3.02Å; E542-R595 IonicContact OE2-NH2 2.96Å; E542-R595 PolarHBondContact OE2-NH2 3.33Å; E542-M597 HydrophobicContact CB-CE 3.89Å
543	T	86.1	Confident	91.9	Very high	37 Å²	37	52.9 Å²	52.9	23%	0.227	27%	0.266	C	S	.	.			trans	-86.9	154.2	177.1	45.2	0	0	0	0	111.8	K472 L541 E545 R552	K472-T543 PolarHBondContact NZ-OG1 3.2Å; L541-T543 PolarHBondContact O-N 3.16Å; T543-E545 WeakPolarHBondContact CB-O 3.2Å; T543-E545 PolarHBondContact OG1-O 3.13Å; T543-R552 VanDerWaalsContact O-CD 3.27Å; T543-R552 WeakPolarHBondContact O-CD 3.25Å; T543-R552 WeakPolarHBondContact O-CG 3.41Å
544	D	83.4	Confident	91.7	Very high	59 Å²	59	46.3 Å²	46.3	32%	0.316	24%	0.24	S	C	.	.	S	Bend	trans	-77.7	-28	168.3	-71.4	-58.2	0	0	0	111.8	Q570 R573 R594	D544-Q570 PolarHBondContact OD2-NE2 2.97Å; D544-Q570 PolarHBondContact OD2-OE1 2.86Å; D544-R573 IonicContact OD1-NH1 3.45Å; D544-R573 PolarHBondContact OD1-NH1 2.97Å; D544-R573 WeakPolarHBondContact OD2-CD 3.39Å; D544-R573 IonicContact OD2-CZ 3.73Å; D544-R573 IonicContact OD2-NE 3.86Å; D544-R573 IonicContact OD2-NH1 2.81Å; D544-R573 PolarHBondContact OD2-NH1 3.07Å; D544-R594 IonicContact OD1-CZ 3.42Å; D544-R594 IonicContact OD1-NH1 3.93Å; D544-R594 IonicContact OD1-NH2 2.67Å; D544-R594 PolarHBondContact OD1-NH2 2.76Å; D544-R594 IonicContact OD2-CZ 3.64Å; D544-R594 IonicContact OD2-NE 3.85Å; D544-R594 IonicContact OD2-NH2 2.75Å; D544-R594 PolarHBondContact OD2-NH2 2.91Å
545	E	84.1	Confident	91.5	Very high	146 Å²	146	44.9 Å²	44.9	68%	0.682	24%	0.238	S	C	*	.			trans	-83.1	139.1	175.4	-69.8	153.5	-126.7	0	0	110.3	T543	T543-E545 WeakPolarHBondContact CB-O 3.2Å; T543-E545 PolarHBondContact OG1-O 3.13Å
546	E	88.2	Confident	91.2	Very high	91 Å²	91	47 Å²	47	43%	0.425	25%	0.254	S	S	.	.			trans	-126.4	139.6	175.1	-68.8	-167.6	-118.2	0	0	110	E550 R552	E546-E550 WeakPolarHBondContact CA-O 3.27Å; E546-R552 HydrophobicContact CG-CB 4.27Å; E546-R552 HydrophobicContact CG-CG 3.81Å; E546-R552 IonicContact OE1-CZ 3.13Å; E546-R552 IonicContact OE1-NE 2.75Å; E546-R552 PolarHBondContact OE1-NE 3.13Å; E546-R552 IonicContact OE1-NH2 2.69Å; E546-R552 PolarHBondContact OE1-NH2 3.39Å; E546-R552 PolarHBondContact OE2-N 3.02Å
547	T	90.6	Very high	90.9	Very high	60 Å²	60	53.1 Å²	53.1	37%	0.368	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-130	166	169.1	77.1	0	0	0	0	109.9	L549 E550 P551	T547-L549 PolarHBondContact O-N 2.91Å; T547-L549 VanDerWaalsContact O-N 3.11Å; T547-L549 PolarHBondContact OG1-N 2.71Å; T547-E550 PolarHBondContact N-O 3.34Å; T547-E550 VanDerWaalsContact N-O 3.14Å; T547-E550 CarbonylContact O-C 3.48Å; T547-E550 PolarHBondContact O-N 2.72Å; T547-E550 WeakPolarHBondContact OG1-CB 3.46Å; T547-E550 PolarHBondContact OG1-N 2.74Å; T547-P551 WeakPolarHBondContact O-CD 3.26Å; T547-P551 VanDerWaalsContact O-N 3.11Å
548	P	89.6	Confident	90.4	Very high	135 Å²	135	60.7 Å²	60.7	88%	0.877	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.4	176	-26.1	36.3	0	0	0	114.7
549	L	90.6	Very high	90	Very high	61 Å²	61	66.2 Å²	66.2	32%	0.319	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-19.2	175	-60.1	177.2	0	0	0	112.6	Q493 S494 T547 P551 Y553	Q493-L549 HydrophobicContact CG-CD1 4.4Å; Q493-L549 HydrophobicContact CG-CD2 4.38Å; S494-L549 WeakPolarHBondContact O-CD1 3.41Å; T547-L549 PolarHBondContact O-N 2.91Å; T547-L549 VanDerWaalsContact O-N 3.11Å; T547-L549 PolarHBondContact OG1-N 2.71Å; L549-P551 VanDerWaalsContact C-CD 3.47Å; L549-Y553 PolarHBondContact O-OH 2.88Å
550	E	92.8	Very high	89.8	Confident	34 Å²	34	66.9 Å²	66.9	16%	0.159	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-133.4	61.7	-177.2	-57.6	-177.9	-174	0	0	111.4	K472 S494 A495 E546 T547	K472-E550 VanDerWaalsContact CB-CD 3.46Å; K472-E550 HydrophobicContact CB-CG 4.24Å; K472-E550 WeakPolarHBondContact CB-OE1 3.2Å; K472-E550 HydrophobicContact CD-CB 4.23Å; K472-E550 HydrophobicContact CD-CG 4.22Å; K472-E550 VanDerWaalsContact CD-OE2 3.27Å; K472-E550 WeakPolarHBondContact CD-OE2 3.45Å; S494-E550 WeakPolarHBondContact CB-OE1 3.33Å; A495-E550 VanDerWaalsContact CB-OE1 3.24Å; A495-E550 WeakPolarHBondContact CB-OE1 3.24Å; A495-E550 PolarHBondContact N-OE1 3.23Å; E546-E550 WeakPolarHBondContact CA-O 3.27Å; T547-E550 PolarHBondContact N-O 3.34Å; T547-E550 VanDerWaalsContact N-O 3.14Å; T547-E550 CarbonylContact O-C 3.48Å; T547-E550 PolarHBondContact O-N 2.72Å; T547-E550 WeakPolarHBondContact OG1-CB 3.46Å; T547-E550 PolarHBondContact OG1-N 2.74Å
551	P	92.4	Very high	89.7	Confident	40 Å²	40	68.3 Å²	68.3	26%	0.26	35%	0.354	S	S	.	.			trans	-71.9	162.8	173.1	32.4	-37.1	0	0	0	111.1	T547 L549 Y553	T547-P551 WeakPolarHBondContact O-CD 3.26Å; T547-P551 VanDerWaalsContact O-N 3.11Å; L549-P551 VanDerWaalsContact C-CD 3.47Å; P551-Y553 VanDerWaalsContact C-N 3.34Å; P551-Y553 HydrophobicContact CG-CD1 4.02Å; P551-Y553 HydrophobicContact CG-CE1 3.61Å; P551-Y553 VanDerWaalsContact O-CD2 3.31Å; P551-Y553 WeakPolarHBondContact O-CD2 3.41Å; P551-Y553 PolarHBondContact O-N 2.98Å
552	R	91.7	Very high	89.7	Confident	86 Å²	86	70.4 Å²	70.4	33%	0.325	37%	0.367	S	S	.	.			trans	-74.9	85.7	170.4	-78.6	-178.1	-64.9	-170.5	-5.4	110.6	T543 E546 S554 T555	T543-R552 VanDerWaalsContact O-CD 3.27Å; T543-R552 WeakPolarHBondContact O-CD 3.25Å; T543-R552 WeakPolarHBondContact O-CG 3.41Å; E546-R552 HydrophobicContact CG-CB 4.27Å; E546-R552 HydrophobicContact CG-CG 3.81Å; E546-R552 IonicContact OE1-CZ 3.13Å; E546-R552 IonicContact OE1-NE 2.75Å; E546-R552 PolarHBondContact OE1-NE 3.13Å; E546-R552 IonicContact OE1-NH2 2.69Å; E546-R552 PolarHBondContact OE1-NH2 3.39Å; E546-R552 PolarHBondContact OE2-N 3.02Å; R552-S554 PolarHBondContact O-N 2.88Å; R552-T555 HydrophobicContact CB-CG2 3.93Å; R552-T555 PolarHBondContact O-N 3.33Å; R552-T555 PolarHBondContact O-OG1 3.3Å
553	Y	90.8	Very high	89.9	Confident	19 Å²	19	70.5 Å²	70.5	8%	0.075	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-20.6	178.5	-54.2	-77.1	0	0	0	114.2	I492 I532 L538 D540 L549 P551 T555 L599	I492-Y553 HydrophobicContact CD1-CE2 4.49Å; I492-Y553 WeakPolarHBondContact CD1-OH 3.4Å; I532-Y553 HydrophobicContact CD1-CD1 3.98Å; I532-Y553 HydrophobicContact CD1-CE1 3.4Å; I532-Y553 VanDerWaalsContact CD1-CE1 3.4Å; L538-Y553 HydrophobicContact CD2-CD1 3.89Å; L538-Y553 HydrophobicContact CD2-CD2 3.72Å; L538-Y553 HydrophobicContact CD2-CE1 4.17Å; L538-Y553 HydrophobicContact CD2-CE2 3.99Å; L538-Y553 HydrophobicContact CD2-CG 3.66Å; D540-Y553 HydrophobicContact CB-CD2 4.38Å; L549-Y553 PolarHBondContact O-OH 2.88Å; P551-Y553 VanDerWaalsContact C-N 3.34Å; P551-Y553 HydrophobicContact CG-CD1 4.02Å; P551-Y553 HydrophobicContact CG-CE1 3.61Å; P551-Y553 VanDerWaalsContact O-CD2 3.31Å; P551-Y553 WeakPolarHBondContact O-CD2 3.41Å; P551-Y553 PolarHBondContact O-N 2.98Å; Y553-T555 VanDerWaalsContact C-N 3.28Å; Y553-T555 PolarHBondContact O-N 2.84Å; Y553-L599 VanDerWaalsContact CB-CD1 3.44Å; Y553-L599 HydrophobicContact CG-CD1 4.46Å
554	S	89.5	Confident	90.3	Very high	18 Å²	18	69.4 Å²	69.4	13%	0.126	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.1	173.1	59.7	0	0	0	0	114.6	E542 R552	E542-S554 WeakPolarHBondContact OE1-CB 3.28Å; E542-S554 PolarHBondContact OE1-OG 3.06Å; R552-S554 PolarHBondContact O-N 2.88Å
555	T	89.4	Confident	91	Very high	77 Å²	77	73 Å²	73	47%	0.472	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-30.4	179.3	66.6	0	0	0	0	112.6	R552 Y553 K557	R552-T555 HydrophobicContact CB-CG2 3.93Å; R552-T555 PolarHBondContact O-N 3.33Å; R552-T555 PolarHBondContact O-OG1 3.3Å; Y553-T555 VanDerWaalsContact C-N 3.28Å; Y553-T555 PolarHBondContact O-N 2.84Å; T555-K557 PolarHBondContact O-N 2.98Å
556	S	88.3	Confident	91.6	Very high	46 Å²	46	68.4 Å²	68.4	32%	0.322	35%	0.352	S	S	.	.			trans	-71.6	62.6	178.2	-59.3	0	0	0	0	113.2	E558 E559 W560	S556-E558 PolarHBondContact O-N 3.04Å; S556-E559 PolarHBondContact O-N 3.31Å; S556-W560 PolarHBondContact O-N 3.48Å
557	K	87.3	Confident	92	Very high	157 Å²	157	68 Å²	68	68%	0.683	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.3	-176.9	-67.3	175.5	-173.9	173.7	0	115.2	T555 R602	T555-K557 PolarHBondContact O-N 2.98Å; K557-R602 WeakPolarHBondContact O-CD 3.37Å; K557-R602 PolarHBondContact O-NE 3.44Å; K557-R602 PolarHBondContact O-NH1 2.85Å
558	E	86.4	Confident	92.3	Very high	162 Å²	162	65.2 Å²	65.2	76%	0.757	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-39.5	173.4	-62.9	-169.9	-172.9	0	0	111.8	S556 R602	S556-E558 PolarHBondContact O-N 3.04Å; E558-R602 VanDerWaalsContact O-CB 3.27Å; E558-R602 WeakPolarHBondContact O-CB 3.49Å; E558-R602 WeakPolarHBondContact O-CD 3.22Å
559	E	89	Confident	92.6	Very high	116 Å²	116	59 Å²	59	54%	0.542	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-31.4	-179.7	-63	-171.8	157.5	0	0	113.2	S556 A601 R602	S556-E559 PolarHBondContact O-N 3.31Å; E559-A601 CarbonylContact O-C 3.57Å; E559-R602 WeakPolarHBondContact O-CB 3.33Å; E559-R602 PolarHBondContact O-N 2.94Å
560	W	93.9	Very high	92.8	Very high	14 Å²	14	57.1 Å²	57.1	5%	0.053	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	156.9	-168.7	-64.4	99.8	0	0	0	113.7	I532 C535 L538 S556 L599 A601 R602	I532-W560 HydrophobicContact CD1-CZ2 4Å; I532-W560 HydrophobicContact CG1-CH2 4.47Å; I532-W560 HydrophobicContact CG1-CZ2 3.82Å; C535-W560 HydrophobicContact CB-CH2 4.22Å; L538-W560 HydrophobicContact CB-CE3 4.39Å; L538-W560 HydrophobicContact CB-CH2 3.74Å; L538-W560 HydrophobicContact CB-CZ2 4.48Å; L538-W560 HydrophobicContact CB-CZ3 3.68Å; L538-W560 HydrophobicContact CD2-CH2 4.18Å; L538-W560 HydrophobicContact CD2-CZ2 4.1Å; S556-W560 PolarHBondContact O-N 3.48Å; W560-L599 HydrophobicContact CD2-CB 4.26Å; W560-L599 HydrophobicContact CE3-CB 3.61Å; W560-L599 HydrophobicContact CZ3-CB 4.26Å; W560-A601 HydrophobicContact CE3-CB 4.3Å; W560-A601 HydrophobicContact CH2-CB 4.05Å; W560-A601 HydrophobicContact CZ3-CB 3.8Å; W560-R602 WeakPolarHBondContact O-CD 3.5Å; W560-R602 PolarHBondContact O-NE 3.5Å
561	S	94.3	Very high	92.7	Very high	31 Å²	31	57.4 Å²	57.4	22%	0.217	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	123.5	174.7	47	0	0	0	0	109.7	V563 L599 K600	S561-V563 PolarHBondContact O-N 2.92Å; S561-L599 CarbonylContact O-C 3.55Å; S561-L599 WeakPolarHBondContact O-CA 3.42Å; S561-K600 PolarHBondContact N-O 2.96Å; S561-K600 PolarHBondContact O-N 3.11Å; S561-K600 PolarHBondContact OG-O 2.86Å
562	V	94.9	Very high	92.7	Very high	62 Å²	62	59.9 Å²	59.9	38%	0.376	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	121	174.3	-175.7	0	0	0	0	108.4	Y565 L599	V562-Y565 HydrophobicContact CG1-CD1 4.22Å; V562-L599 HydrophobicContact CB-CD2 4.37Å; V562-L599 HydrophobicContact CG2-CD2 3.68Å
563	V	94.2	Very high	92.7	Very high	30 Å²	30	62.3 Å²	62.3	18%	0.182	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-38.9	179.7	179.2	0	0	0	0	111.6	I451 L457 S561 I598 K600	I451-V563 HydrophobicContact CD1-CB 4.45Å; I451-V563 HydrophobicContact CD1-CG1 3.65Å; I451-V563 HydrophobicContact CG1-CG1 3.82Å; L457-V563 HydrophobicContact CD1-CG1 4.12Å; L457-V563 HydrophobicContact CD2-CG1 4.23Å; S561-V563 PolarHBondContact O-N 2.92Å; V563-I598 HydrophobicContact CB-CG2 4.37Å; V563-I598 PolarHBondContact N-O 2.96Å; V563-K600 HydrophobicContact CG2-CB 3.47Å; V563-K600 VanDerWaalsContact CG2-CB 3.47Å; V563-K600 HydrophobicContact CG2-CD 4.5Å
564	A	95.9	Very high	92.9	Very high	13 Å²	13	61.8 Å²	61.8	11%	0.107	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	152.8	177	0	0	0	0	0	109.6	L444 E447 M597 I598	L444-A564 HydrophobicContact CD1-CB 3.87Å; E447-A564 HydrophobicContact CB-CB 4.49Å; E447-A564 HydrophobicContact CG-CB 4.37Å; A564-M597 WeakPolarHBondContact O-CA 3.25Å; A564-I598 HydrophobicContact CB-CD1 4.44Å; A564-I598 PolarHBondContact O-N 2.91Å
565	Y	97	Very high	93.2	Very high	136 Å²	136	62.9 Å²	62.9	53%	0.533	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.2	169.3	70.4	-88.6	0	0	0	111.3	V562 R595 Y596	V562-Y565 HydrophobicContact CG1-CD1 4.22Å; Y565-R595 HydrophobicContact CD2-CB 4.19Å; Y565-R595 HydrophobicContact CD2-CG 3.72Å; Y565-R595 HydrophobicContact CE2-CG 4.13Å; Y565-R595 HydrophobicContact CG-CB 4.41Å; Y565-R595 HydrophobicContact CG-CG 4.25Å; Y565-Y596 CarbonylContact C-O 3.59Å; Y565-Y596 WeakPolarHBondContact CA-O 3.28Å; Y565-Y596 WeakPolarHBondContact CB-O 3.33Å
566	K	97.3	Very high	93.4	Very high	48 Å²	48	63.5 Å²	63.5	21%	0.209	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151	173.5	-63.8	-72.5	-173.1	145.1	0	108.9	A440 D443 L444 Y596	A440-K566 HydrophobicContact CB-CB 3.89Å; D443-K566 HydrophobicContact CB-CD 4.31Å; D443-K566 HydrophobicContact CB-CG 4.34Å; D443-K566 VanDerWaalsContact O-CE 3.25Å; D443-K566 WeakPolarHBondContact O-CE 3.49Å; D443-K566 PolarHBondContact O-NZ 3.45Å; D443-K566 IonicContact OD1-NZ 3.39Å; D443-K566 PolarHBondContact OD1-NZ 2.87Å; D443-K566 WeakPolarHBondContact OD2-CD 3.37Å; D443-K566 WeakPolarHBondContact OD2-CE 3.15Å; D443-K566 IonicContact OD2-NZ 2.76Å; D443-K566 PolarHBondContact OD2-NZ 3.32Å; L444-K566 HydrophobicContact CB-CG 4Å; L444-K566 HydrophobicContact CD1-CG 4.13Å; K566-Y596 PolarHBondContact N-O 2.88Å; K566-Y596 PolarHBondContact O-N 3.48Å
567	P	96.6	Very high	93.7	Very high	82 Å²	82	66.2 Å²	66.2	53%	0.532	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	139.1	174	30.6	-34.1	0	0	0	110.6	Y593 R594	P567-Y593 HydrophobicContact CB-CD1 4.02Å; P567-Y593 HydrophobicContact CB-CG 4.48Å; P567-R594 CarbonylContact C-O 3.53Å; P567-R594 WeakPolarHBondContact CA-O 3.47Å
568	F	96.3	Very high	94.1	Very high	3 Å²	3	60.4 Å²	60.4	1%	0.013	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.2	177.4	-175.4	-91.1	0	0	0	110.4	Y438 A440 R476 L541 Q570 Y593 R594	Y438-F568 HydrophobicContact CD1-CE1 4.39Å; Y438-F568 AromaticContact CD1-CE2 3.9Å; Y438-F568 HydrophobicContact CD1-CE2 3.9Å; Y438-F568 AromaticContact CD1-CZ 3.62Å; Y438-F568 HydrophobicContact CD1-CZ 3.62Å; Y438-F568 HydrophobicContact CE1-CZ 4.28Å; Y438-F568 HydrophobicContact CG-CE2 4.46Å; A440-F568 HydrophobicContact CB-CB 4.09Å; A440-F568 HydrophobicContact CB-CD2 3.82Å; A440-F568 HydrophobicContact CB-CG 4.44Å; R476-F568 VanDerWaalsContact CZ-CZ 3.43Å; L541-F568 HydrophobicContact CD1-CB 4.06Å; L541-F568 HydrophobicContact CD1-CD1 3.78Å; L541-F568 HydrophobicContact CD1-CG 4.23Å; L541-F568 HydrophobicContact CD2-CD1 3.72Å; L541-F568 HydrophobicContact CD2-CE1 3.86Å; L541-F568 HydrophobicContact CG-CD1 4.44Å; F568-Q570 PolarHBondContact O-N 3.48Å; F568-Y593 CarbonylContact O-C 3.23Å; F568-Y593 WeakPolarHBondContact O-CA 3.41Å; F568-R594 PolarHBondContact N-O 2.85Å; F568-R594 PolarHBondContact O-N 2.74Å
569	L	96	Very high	94.5	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120	-169.4	-172.2	152.4	0	0	0	112.2	G437 A571 R579 T591 Y593	G437-L569 WeakPolarHBondContact O-CB 3.24Å; G437-L569 PolarHBondContact O-N 3.23Å; L569-A571 PolarHBondContact O-N 2.98Å; L569-R579 HydrophobicContact CD1-CB 3.91Å; L569-R579 HydrophobicContact CD2-CB 3.82Å; L569-T591 HydrophobicContact CD1-CG2 3.96Å; L569-Y593 HydrophobicContact CB-CD1 4.23Å; L569-Y593 HydrophobicContact CB-CE1 3.93Å
570	Q	94.1	Very high	94.7	Very high	21 Å²	21	51.8 Å²	51.8	10%	0.098	28%	0.28	C	S	.	.			trans	-78.7	100.8	174.5	-173.2	179.2	8	0	0	109.5	D544 F568 S572 R573 S574 T592 R594	D544-Q570 PolarHBondContact OD2-NE2 2.97Å; D544-Q570 PolarHBondContact OD2-OE1 2.86Å; F568-Q570 PolarHBondContact O-N 3.48Å; Q570-S572 VanDerWaalsContact C-N 3.34Å; Q570-S572 PolarHBondContact O-N 3.42Å; Q570-R573 HydrophobicContact CG-CB 4.3Å; Q570-R573 HydrophobicContact CG-CG 4.39Å; Q570-R573 PolarHBondContact O-N 3.49Å; Q570-S574 WeakPolarHBondContact O-CB 3.46Å; Q570-S574 PolarHBondContact O-N 2.91Å; Q570-S574 PolarHBondContact O-OG 2.78Å; Q570-T592 HydrophobicContact CB-CG2 4.4Å; Q570-T592 PolarHBondContact N-O 3.04Å; Q570-R594 HydrophobicContact CB-CG 3.9Å; Q570-R594 HydrophobicContact CG-CG 4.35Å
571	A	92	Very high	94.9	Very high	40 Å²	40	52.6 Å²	52.6	33%	0.331	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-59.7	-39.8	-171.5	0	0	0	0	0	113.5	L569 R573 S574 R579	L569-A571 PolarHBondContact O-N 2.98Å; A571-R573 VanDerWaalsContact C-N 3.29Å; A571-R573 PolarHBondContact O-N 3.34Å; A571-S574 PolarHBondContact O-N 3.06Å; A571-R579 PolarHBondContact O-NH1 2.81Å
572	S	91.1	Very high	95	Very high	92 Å²	92	53 Å²	53	64%	0.643	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-66.4	-25.8	-178.9	52.8	0	0	0	0	114.2	Q570	Q570-S572 VanDerWaalsContact C-N 3.34Å; Q570-S572 PolarHBondContact O-N 3.42Å
573	R	91.8	Very high	95.1	Very high	136 Å²	136	53.5 Å²	53.5	51%	0.513	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-108.7	19.7	-179.8	-62.2	-172.3	67.4	163.8	2.7	113.4	D544 Q570 A571 T592	D544-R573 IonicContact OD1-NH1 3.45Å; D544-R573 PolarHBondContact OD1-NH1 2.97Å; D544-R573 WeakPolarHBondContact OD2-CD 3.39Å; D544-R573 IonicContact OD2-CZ 3.73Å; D544-R573 IonicContact OD2-NE 3.86Å; D544-R573 IonicContact OD2-NH1 2.81Å; D544-R573 PolarHBondContact OD2-NH1 3.07Å; Q570-R573 HydrophobicContact CG-CB 4.3Å; Q570-R573 HydrophobicContact CG-CG 4.39Å; Q570-R573 PolarHBondContact O-N 3.49Å; A571-R573 VanDerWaalsContact C-N 3.29Å; A571-R573 PolarHBondContact O-N 3.34Å; R573-T592 HydrophobicContact CB-CG2 4.16Å; R573-T592 WeakPolarHBondContact O-CB 3.23Å; R573-T592 PolarHBondContact O-OG1 2.9Å
574	S	94.9	Very high	95	Very high	8 Å²	8	55.4 Å²	55.4	6%	0.056	29%	0.294	C	S	.	.	S	Bend	trans	-126.3	136.9	-177.8	-62.1	0	0	0	0	110.6	Q570 A571 T592	Q570-S574 WeakPolarHBondContact O-CB 3.46Å; Q570-S574 PolarHBondContact O-N 2.91Å; Q570-S574 PolarHBondContact O-OG 2.78Å; A571-S574 PolarHBondContact O-N 3.06Å; S574-T592 PolarHBondContact OG-N 3.07Å; S574-T592 PolarHBondContact OG-O 3.07Å
575	S	95.9	Very high	94.8	Very high	41 Å²	41	63 Å²	63	29%	0.287	33%	0.325	S	S	.	.			trans	-55.9	130.1	178	171.4	0	0	0	0	111	L577 F578 R579 H590	S575-L577 PolarHBondContact O-N 3.19Å; S575-L577 VanDerWaalsContact O-N 3.15Å; S575-L577 PolarHBondContact OG-N 3.33Å; S575-F578 PolarHBondContact O-N 3.48Å; S575-R579 WeakPolarHBondContact O-CB 3.33Å; S575-R579 WeakPolarHBondContact O-CG 3.45Å; S575-R579 PolarHBondContact O-N 2.93Å; S575-H590 PolarHBondContact N-O 3.36Å
576	P	94.4	Very high	94.7	Very high	90 Å²	90	60.4 Å²	60.4	58%	0.584	32%	0.319	S	S	*	.	H	α-helix	trans	-54.4	-33.4	178.3	-29	36.2	0	0	0	113.7	A580	P576-A580 WeakPolarHBondContact O-CB 3.48Å; P576-A580 PolarHBondContact O-N 3.1Å
577	L	94.8	Very high	94.5	Very high	103 Å²	103	58.2 Å²	58.2	54%	0.539	31%	0.31	S	S	.	.	H	α-helix	trans	-72.6	-51	177.3	-177.4	64.9	0	0	0	111.8	S575 R579 A580 F581	S575-L577 PolarHBondContact O-N 3.19Å; S575-L577 VanDerWaalsContact O-N 3.15Å; S575-L577 PolarHBondContact OG-N 3.33Å; L577-R579 PolarHBondContact O-N 3.45Å; L577-A580 WeakPolarHBondContact O-CB 3.49Å; L577-A580 PolarHBondContact O-N 3.07Å; L577-A580 VanDerWaalsContact O-N 3.1Å; L577-F581 HydrophobicContact CD1-CD2 4.19Å; L577-F581 PolarHBondContact O-N 2.94Å
578	F	95.1	Very high	94.3	Very high	35 Å²	35	57.4 Å²	57.4	15%	0.154	30%	0.301	C	S	.	.	H	α-helix	trans	-77.7	-18.3	-174.1	-65.7	-71.5	0	0	0	114.2	S575 I583 I586 S587 H590 T591	S575-F578 PolarHBondContact O-N 3.48Å; F578-I583 HydrophobicContact CE1-CD1 4.09Å; F578-I586 HydrophobicContact CD1-CG2 4.38Å; F578-I586 HydrophobicContact CE1-CB 4.39Å; F578-I586 HydrophobicContact CE1-CG2 3.52Å; F578-I586 HydrophobicContact CZ-CG2 3.74Å; F578-S587 WeakPolarHBondContact CD1-OG 3.31Å; F578-S587 PolarHBondContact O-OG 3.26Å; F578-H590 HydrophobicContact CB-CB 4.04Å; F578-H590 HydrophobicContact CD2-CB 3.34Å; F578-H590 AromaticContact CD2-CD2 3.68Å; F578-H590 AromaticContact CD2-CG 3.68Å; F578-H590 HydrophobicContact CE2-CB 3.92Å; F578-H590 AromaticContact CE2-CD2 3.3Å; F578-H590 WeakPolarHBondContact CE2-CD2 3.43Å; F578-H590 AromaticContact CE2-CG 3.7Å; F578-H590 AromaticContact CE2-NE2 4Å; F578-H590 HydrophobicContact CG-CB 3.81Å; F578-H590 AromaticContact CZ-CD2 3.64Å; F578-T591 HydrophobicContact CB-CG2 3.94Å
579	R	94.1	Very high	94.2	Very high	85 Å²	85	65 Å²	65	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-82.7	-20.3	165.7	82.7	-171.2	-167.3	-164.1	2.1	112.9	L569 A571 S575 L577 T591	L569-R579 HydrophobicContact CD1-CB 3.91Å; L569-R579 HydrophobicContact CD2-CB 3.82Å; A571-R579 PolarHBondContact O-NH1 2.81Å; S575-R579 WeakPolarHBondContact O-CB 3.33Å; S575-R579 WeakPolarHBondContact O-CG 3.45Å; S575-R579 PolarHBondContact O-N 2.93Å; L577-R579 PolarHBondContact O-N 3.45Å; R579-T591 HydrophobicContact CB-CG2 4.4Å
580	A	94.8	Very high	94.1	Very high	13 Å²	13	69.4 Å²	69.4	11%	0.107	36%	0.357	C	S	.	.	H	α-helix	trans	-81.3	-50.8	172.4	0	0	0	0	0	110.9	L314 R430 A433 P576 L577	L314-A580 HydrophobicContact CD2-CB 3.87Å; R430-A580 WeakPolarHBondContact CD-O 3.39Å; R430-A580 PolarHBondContact NH1-O 2.93Å; A433-A580 WeakPolarHBondContact CB-O 3.3Å; P576-A580 WeakPolarHBondContact O-CB 3.48Å; P576-A580 PolarHBondContact O-N 3.1Å; L577-A580 WeakPolarHBondContact O-CB 3.49Å; L577-A580 PolarHBondContact O-N 3.07Å; L577-A580 VanDerWaalsContact O-N 3.1Å
581	F	96.8	Very high	94.2	Very high	30 Å²	30	68.9 Å²	68.9	13%	0.132	36%	0.355	C	S	.	.	S	Bend	trans	-122.6	122.8	-174.6	-64.8	-82.7	0	0	0	110.4	L314 N317 L426 S429 R430 L577 S587	L314-F581 HydrophobicContact CD2-CE2 3.89Å; L314-F581 HydrophobicContact CD2-CZ 4.12Å; N317-F581 WeakPolarHBondContact OD1-CE1 3.25Å; N317-F581 WeakPolarHBondContact OD1-CZ 3.5Å; L426-F581 HydrophobicContact CB-CE1 4.14Å; L426-F581 HydrophobicContact CD2-CD1 4.26Å; L426-F581 HydrophobicContact CD2-CE1 4.2Å; L426-F581 WeakPolarHBondContact O-CD1 3.39Å; L426-F581 WeakPolarHBondContact O-CE1 3.4Å; S429-F581 WeakPolarHBondContact OG-CB 3.29Å; R430-F581 HydrophobicContact CB-CD1 3.96Å; R430-F581 HydrophobicContact CB-CE1 3.91Å; L577-F581 HydrophobicContact CD1-CD2 4.19Å; L577-F581 PolarHBondContact O-N 2.94Å; F581-S587 PolarHBondContact O-OG 3.15Å
582	Y	96.9	Very high	94.4	Very high	39 Å²	39	69 Å²	69	15%	0.153	35%	0.352	C	S	.	.			trans	-82	120.3	177.5	178.9	-100.8	0	0	0	110.8	S429 V432 P584 S587	S429-Y582 WeakPolarHBondContact CB-O 3.49Å; S429-Y582 WeakPolarHBondContact O-CB 3.29Å; S429-Y582 PolarHBondContact O-N 2.91Å; S429-Y582 PolarHBondContact OG-N 3.28Å; S429-Y582 PolarHBondContact OG-O 3.19Å; V432-Y582 HydrophobicContact CB-CD1 4.33Å; V432-Y582 HydrophobicContact CG1-CD1 3.46Å; V432-Y582 VanDerWaalsContact CG1-CD1 3.46Å; V432-Y582 HydrophobicContact CG1-CE1 4.03Å; V432-Y582 HydrophobicContact CG1-CG 3.84Å; Y582-P584 HydrophobicContact CD1-CG 4.42Å; Y582-P584 HydrophobicContact CE1-CB 4.27Å; Y582-P584 HydrophobicContact CE1-CG 3.91Å; Y582-S587 WeakPolarHBondContact CA-OG 3.4Å
583	I	96.2	Very high	94.6	Very high	74 Å²	74	68 Å²	68	38%	0.379	33%	0.334	S	S	.	.			trans	-112.5	117.1	171	-56.4	-173.3	0	0	0	107	F578 F585 I586 S587	F578-I583 HydrophobicContact CE1-CD1 4.09Å; I583-F585 PolarHBondContact O-N 3.37Å; I583-I586 HydrophobicContact CB-CB 4.33Å; I583-I586 HydrophobicContact CG2-CB 4.09Å; I583-I586 HydrophobicContact CG2-CD1 4.02Å; I583-I586 HydrophobicContact CG2-CG1 4.25Å; I583-I586 PolarHBondContact O-N 3.05Å; I583-S587 PolarHBondContact N-OG 3.24Å; I583-S587 PolarHBondContact O-N 3.3Å
584	P	93.2	Very high	94.7	Very high	70 Å²	70	64.4 Å²	64.4	46%	0.455	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	138.3	-178.1	-27.8	33.8	0	0	0	112.8	Y582 I586	Y582-P584 HydrophobicContact CD1-CG 4.42Å; Y582-P584 HydrophobicContact CE1-CB 4.27Å; Y582-P584 HydrophobicContact CE1-CG 3.91Å; P584-I586 PolarHBondContact O-N 3.33Å
585	F	91.4	Very high	94.8	Very high	171 Å²	171	68.4 Å²	68.4	75%	0.75	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	-28.3	-178.2	-40.5	-74.1	0	0	0	115.4	I583 H589	I583-F585 PolarHBondContact O-N 3.37Å; F585-H589 PolarHBondContact O-CD2 2.88Å
586	I	94.7	Very high	94.8	Very high	83 Å²	83	66.4 Å²	66.4	43%	0.426	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-44	-178	-56.1	-177.5	0	0	0	111.6	F578 I583 P584 D588 H589 H590	F578-I586 HydrophobicContact CD1-CG2 4.38Å; F578-I586 HydrophobicContact CE1-CB 4.39Å; F578-I586 HydrophobicContact CE1-CG2 3.52Å; F578-I586 HydrophobicContact CZ-CG2 3.74Å; I583-I586 HydrophobicContact CB-CB 4.33Å; I583-I586 HydrophobicContact CG2-CB 4.09Å; I583-I586 HydrophobicContact CG2-CD1 4.02Å; I583-I586 HydrophobicContact CG2-CG1 4.25Å; I583-I586 PolarHBondContact O-N 3.05Å; P584-I586 PolarHBondContact O-N 3.33Å; I586-D588 VanDerWaalsContact C-N 3.25Å; I586-D588 PolarHBondContact O-N 3.34Å; I586-H589 PolarHBondContact O-N 2.69Å; I586-H589 VanDerWaalsContact O-N 3.15Å; I586-H590 PolarHBondContact O-CD2 3.08Å
587	S	94.1	Very high	94.9	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.007	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-35.3	179.7	-78.8	0	0	0	0	112.6	F578 F581 Y582 I583 H589 H590 T591	F578-S587 WeakPolarHBondContact CD1-OG 3.31Å; F578-S587 PolarHBondContact O-OG 3.26Å; F581-S587 PolarHBondContact O-OG 3.15Å; Y582-S587 WeakPolarHBondContact CA-OG 3.4Å; I583-S587 PolarHBondContact N-OG 3.24Å; I583-S587 PolarHBondContact O-N 3.3Å; S587-H589 PolarHBondContact O-N 3.5Å; S587-H590 CarbonylContact O-C 3.6Å; S587-H590 PolarHBondContact O-N 3.1Å; S587-T591 WeakPolarHBondContact O-CB 3.48Å; S587-T591 WeakPolarHBondContact O-CG2 3.02Å; S587-T591 PolarHBondContact O-N 2.9Å; S587-T591 PolarHBondContact O-OG1 3.28Å
588	D	90.9	Very high	95	Very high	66 Å²	66	57.2 Å²	57.2	35%	0.353	27%	0.267	S	S	.	.	H	α-helix	trans	-68.5	-18.1	-178.3	-51.5	-65.1	0	0	0	112.5	R436 I586	R436-D588 IonicContact NH2-OD1 3.63Å; I586-D588 VanDerWaalsContact C-N 3.25Å; I586-D588 PolarHBondContact O-N 3.34Å
589	H	94.3	Very high	95.1	Very high	163 Å²	163	55.6 Å²	55.6	76%	0.755	26%	0.26	S	S	*	.	H	α-helix	trans	-87.5	-13.3	171.1	-68.1	-55.6	0	0	0	114.1	F585 I586 S587	F585-H589 PolarHBondContact O-CD2 2.88Å; I586-H589 PolarHBondContact O-N 2.69Å; I586-H589 VanDerWaalsContact O-N 3.15Å; S587-H589 PolarHBondContact O-N 3.5Å
590	H	95.4	Very high	95.1	Very high	96 Å²	96	53.1 Å²	53.1	44%	0.444	25%	0.252	S	S	.	.	H	α-helix	trans	-122.9	9.5	-174.6	-64.8	-58.9	0	0	0	114.1	S575 F578 I586 S587	S575-H590 PolarHBondContact N-O 3.36Å; F578-H590 HydrophobicContact CB-CB 4.04Å; F578-H590 HydrophobicContact CD2-CB 3.34Å; F578-H590 AromaticContact CD2-CD2 3.68Å; F578-H590 AromaticContact CD2-CG 3.68Å; F578-H590 HydrophobicContact CE2-CB 3.92Å; F578-H590 AromaticContact CE2-CD2 3.3Å; F578-H590 WeakPolarHBondContact CE2-CD2 3.43Å; F578-H590 AromaticContact CE2-CG 3.7Å; F578-H590 AromaticContact CE2-NE2 4Å; F578-H590 HydrophobicContact CG-CB 3.81Å; F578-H590 AromaticContact CZ-CD2 3.64Å; I586-H590 PolarHBondContact O-CD2 3.08Å; S587-H590 CarbonylContact O-C 3.6Å; S587-H590 PolarHBondContact O-N 3.1Å
591	T	96	Very high	95	Very high	11 Å²	11	53.4 Å²	53.4	7%	0.067	25%	0.254	C	S	.	.			trans	-127.8	136.4	176.3	55	0	0	0	0	110.2	L569 F578 R579 S587 Y593	L569-T591 HydrophobicContact CD1-CG2 3.96Å; F578-T591 HydrophobicContact CB-CG2 3.94Å; R579-T591 HydrophobicContact CB-CG2 4.4Å; S587-T591 WeakPolarHBondContact O-CB 3.48Å; S587-T591 WeakPolarHBondContact O-CG2 3.02Å; S587-T591 PolarHBondContact O-N 2.9Å; S587-T591 PolarHBondContact O-OG1 3.28Å; T591-Y593 WeakPolarHBondContact OG1-CE2 3.36Å
592	T	95.1	Very high	94.6	Very high	43 Å²	43	58.5 Å²	58.5	26%	0.264	27%	0.272	S	S	.	.			trans	-102.1	126.4	-179.9	-61.6	0	0	0	0	109.1	Q570 R573 S574	Q570-T592 HydrophobicContact CB-CG2 4.4Å; Q570-T592 PolarHBondContact N-O 3.04Å; R573-T592 HydrophobicContact CB-CG2 4.16Å; R573-T592 WeakPolarHBondContact O-CB 3.23Å; R573-T592 PolarHBondContact O-OG1 2.9Å; S574-T592 PolarHBondContact OG-N 3.07Å; S574-T592 PolarHBondContact OG-O 3.07Å
593	Y	95.1	Very high	93.4	Very high	69 Å²	69	63 Å²	63	27%	0.271	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	144.3	175.9	-71.8	-95.3	0	0	0	111.7	R436 P567 F568 L569 T591	R436-Y593 WeakPolarHBondContact O-CE1 3.44Å; P567-Y593 HydrophobicContact CB-CD1 4.02Å; P567-Y593 HydrophobicContact CB-CG 4.48Å; F568-Y593 CarbonylContact O-C 3.23Å; F568-Y593 WeakPolarHBondContact O-CA 3.41Å; L569-Y593 HydrophobicContact CB-CD1 4.23Å; L569-Y593 HydrophobicContact CB-CE1 3.93Å; T591-Y593 WeakPolarHBondContact OG1-CE2 3.36Å
594	R	94.8	Very high	91.4	Very high	62 Å²	62	67.5 Å²	67.5	23%	0.234	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	171.3	175.2	-66	-62.4	178.7	179.7	8.3	110.9	L541 E542 D544 P567 F568 Q570	L541-R594 HydrophobicContact CD1-CB 4.07Å; E542-R594 WeakPolarHBondContact O-CB 3.27Å; E542-R594 WeakPolarHBondContact O-CG 3.25Å; D544-R594 IonicContact OD1-CZ 3.42Å; D544-R594 IonicContact OD1-NH1 3.93Å; D544-R594 IonicContact OD1-NH2 2.67Å; D544-R594 PolarHBondContact OD1-NH2 2.76Å; D544-R594 IonicContact OD2-CZ 3.64Å; D544-R594 IonicContact OD2-NE 3.85Å; D544-R594 IonicContact OD2-NH2 2.75Å; D544-R594 PolarHBondContact OD2-NH2 2.91Å; P567-R594 CarbonylContact C-O 3.53Å; P567-R594 WeakPolarHBondContact CA-O 3.47Å; F568-R594 PolarHBondContact N-O 2.85Å; F568-R594 PolarHBondContact O-N 2.74Å; Q570-R594 HydrophobicContact CB-CG 3.9Å; Q570-R594 HydrophobicContact CG-CG 4.35Å
595	R	96.2	Very high	89.2	Confident	91 Å²	91	74 Å²	74	34%	0.343	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111.5	-177.6	-63.5	-174.1	-69.1	178.9	2.1	109.8	E542 Y565	E542-R595 HydrophobicContact CB-CB 4.33Å; E542-R595 PolarHBondContact N-O 3.15Å; E542-R595 IonicContact OE1-CZ 3.64Å; E542-R595 IonicContact OE1-NE 3.78Å; E542-R595 IonicContact OE1-NH2 2.72Å; E542-R595 PolarHBondContact OE1-NH2 3.37Å; E542-R595 IonicContact OE2-CZ 3.26Å; E542-R595 VanDerWaalsContact OE2-CZ 3.26Å; E542-R595 IonicContact OE2-NE 2.74Å; E542-R595 PolarHBondContact OE2-NE 3.02Å; E542-R595 IonicContact OE2-NH2 2.96Å; E542-R595 PolarHBondContact OE2-NH2 3.33Å; Y565-R595 HydrophobicContact CD2-CB 4.19Å; Y565-R595 HydrophobicContact CD2-CG 3.72Å; Y565-R595 HydrophobicContact CE2-CG 4.13Å; Y565-R595 HydrophobicContact CG-CB 4.41Å; Y565-R595 HydrophobicContact CG-CG 4.25Å
596	Y	97	Very high	86.7	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	120.7	160.4	-165.3	-107.2	0	0	0	106.6	A440 P441 L444 Y445 E473 V539 L541 Y565 K566	A440-Y596 HydrophobicContact CB-CD1 4.18Å; A440-Y596 HydrophobicContact CB-CG 4.34Å; P441-Y596 HydrophobicContact CB-CE1 3.95Å; P441-Y596 HydrophobicContact CG-CD1 4.42Å; P441-Y596 HydrophobicContact CG-CE1 3.9Å; L444-Y596 HydrophobicContact CB-CD1 4.27Å; L444-Y596 HydrophobicContact CD2-CD1 3.39Å; L444-Y596 HydrophobicContact CD2-CE1 3.83Å; L444-Y596 HydrophobicContact CD2-CG 4.28Å; L444-Y596 HydrophobicContact CG-CD1 4.47Å; Y445-Y596 HydrophobicContact CE2-CE1 4.1Å; E473-Y596 HydrophobicContact CB-CE2 4.03Å; E473-Y596 HydrophobicContact CG-CE2 3.98Å; V539-Y596 HydrophobicContact CG1-CE1 3.77Å; V539-Y596 HydrophobicContact CG1-CE2 4.44Å; L541-Y596 HydrophobicContact CB-CD2 4.05Å; L541-Y596 HydrophobicContact CD1-CD2 4.29Å; Y565-Y596 CarbonylContact C-O 3.59Å; Y565-Y596 WeakPolarHBondContact CA-O 3.28Å; Y565-Y596 WeakPolarHBondContact CB-O 3.33Å; K566-Y596 PolarHBondContact N-O 2.88Å; K566-Y596 PolarHBondContact O-N 3.48Å
597	M	96.6	Very high	84	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	145.4	-157.4	56.9	-175.2	168.3	0	0	114.5	V539 D540 E542 A564 L599	V539-M597 WeakPolarHBondContact CA-O 3.47Å; D540-M597 HydrophobicContact CB-CE 4.25Å; D540-M597 PolarHBondContact N-O 3.26Å; D540-M597 VanDerWaalsContact N-O 3.15Å; D540-M597 WeakPolarHBondContact O-CG 3.37Å; D540-M597 PolarHBondContact O-N 3.35Å; E542-M597 HydrophobicContact CB-CE 3.89Å; A564-M597 WeakPolarHBondContact O-CA 3.25Å; M597-L599 HydrophobicContact CE-CD1 4.43Å; M597-L599 HydrophobicContact CG-CD2 4.39Å; M597-L599 HydrophobicContact CG-CG 4.36Å; M597-L599 HydrophobicContact SD-CD2 4.01Å; M597-L599 HydrophobicContact SD-CG 4.47Å
598	I	97.3	Very high	81.5	Confident	0 Å²	0	87.3 Å²	87.3	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118	166.6	-64.1	168.6	0	0	0	108.1	L444 E447 F448 I451 Y537 V539 V563 A564	L444-I598 HydrophobicContact CD1-CD1 3.86Å; L444-I598 HydrophobicContact CD1-CG1 3.95Å; L444-I598 HydrophobicContact CD2-CG1 4.01Å; L444-I598 HydrophobicContact CG-CD1 3.9Å; L444-I598 HydrophobicContact CG-CG1 3.84Å; E447-I598 HydrophobicContact CB-CD1 4.1Å; F448-I598 HydrophobicContact CD1-CD1 4.03Å; F448-I598 HydrophobicContact CD1-CG2 4.48Å; F448-I598 HydrophobicContact CD2-CD1 4.21Å; F448-I598 HydrophobicContact CE1-CB 4.47Å; F448-I598 HydrophobicContact CE1-CD1 3.75Å; F448-I598 HydrophobicContact CE1-CG1 4.04Å; F448-I598 HydrophobicContact CE1-CG2 3.57Å; F448-I598 HydrophobicContact CE2-CD1 3.93Å; F448-I598 HydrophobicContact CE2-CG1 4.22Å; F448-I598 HydrophobicContact CG-CD1 4.27Å; F448-I598 HydrophobicContact CZ-CB 4.47Å; F448-I598 HydrophobicContact CZ-CD1 3.7Å; F448-I598 HydrophobicContact CZ-CG1 3.72Å; F448-I598 HydrophobicContact CZ-CG2 3.92Å; I451-I598 HydrophobicContact CD1-CD1 3.96Å; I451-I598 HydrophobicContact CD1-CG2 4.13Å; Y537-I598 HydrophobicContact CD1-CG2 3.9Å; V539-I598 HydrophobicContact CG2-CG1 4.29Å; V563-I598 HydrophobicContact CB-CG2 4.37Å; V563-I598 PolarHBondContact N-O 2.96Å; A564-I598 HydrophobicContact CB-CD1 4.44Å; A564-I598 PolarHBondContact O-N 2.91Å
599	L	95.8	Very high	79.2	Confident	0 Å²	0	94 Å²	94	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	135.5	171.4	-57.3	171.7	0	0	0	109.3	Y537 L538 Y553 W560 S561 V562 M597	Y537-L599 CarbonylContact C-O 3.58Å; Y537-L599 WeakPolarHBondContact CA-O 3.29Å; L538-L599 HydrophobicContact CB-CB 4.34Å; L538-L599 HydrophobicContact CD2-CD1 4.28Å; L538-L599 HydrophobicContact CG-CD1 4.46Å; L538-L599 PolarHBondContact N-O 3.31Å; L538-L599 PolarHBondContact O-N 3.44Å; Y553-L599 VanDerWaalsContact CB-CD1 3.44Å; Y553-L599 HydrophobicContact CG-CD1 4.46Å; W560-L599 HydrophobicContact CD2-CB 4.26Å; W560-L599 HydrophobicContact CE3-CB 3.61Å; W560-L599 HydrophobicContact CZ3-CB 4.26Å; S561-L599 CarbonylContact O-C 3.55Å; S561-L599 WeakPolarHBondContact O-CA 3.42Å; V562-L599 HydrophobicContact CB-CD2 4.37Å; V562-L599 HydrophobicContact CG2-CD2 3.68Å; M597-L599 HydrophobicContact CE-CD1 4.43Å; M597-L599 HydrophobicContact CG-CD2 4.39Å; M597-L599 HydrophobicContact CG-CG 4.36Å; M597-L599 HydrophobicContact SD-CD2 4.01Å; M597-L599 HydrophobicContact SD-CG 4.47Å
600	K	95	Very high	76.8	Confident	33 Å²	33	95.9 Å²	95.9	14%	0.143	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.9	170.2	172.8	-178.4	178.8	177.1	0	110.3	L457 S459 Y537 S561 V563 R602	L457-K600 WeakPolarHBondContact O-CD 3.44Å; L457-K600 WeakPolarHBondContact O-CE 3.41Å; L457-K600 PolarHBondContact O-NZ 3.34Å; S459-K600 WeakPolarHBondContact OG-CE 3.42Å; S459-K600 PolarHBondContact OG-NZ 3.43Å; Y537-K600 HydrophobicContact CD1-CB 3.87Å; Y537-K600 HydrophobicContact CD1-CG 4.35Å; Y537-K600 HydrophobicContact CE1-CB 3.77Å; Y537-K600 HydrophobicContact CE1-CD 4.17Å; Y537-K600 HydrophobicContact CE1-CG 3.93Å; S561-K600 PolarHBondContact N-O 2.96Å; S561-K600 PolarHBondContact O-N 3.11Å; S561-K600 PolarHBondContact OG-O 2.86Å; V563-K600 HydrophobicContact CG2-CB 3.47Å; V563-K600 VanDerWaalsContact CG2-CB 3.47Å; V563-K600 HydrophobicContact CG2-CD 4.5Å; K600-R602 PolarHBondContact O-N 3.31Å
601	A	92.9	Very high	74.3	Confident	19 Å²	19	96.1 Å²	96.1	16%	0.157	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	122.8	176.5	0	0	0	0	0	111.6	H536 E559 W560 R603	H536-A601 PolarHBondContact O-N 3.04Å; E559-A601 CarbonylContact O-C 3.57Å; W560-A601 HydrophobicContact CE3-CB 4.3Å; W560-A601 HydrophobicContact CH2-CB 4.05Å; W560-A601 HydrophobicContact CZ3-CB 3.8Å; A601-R603 VanDerWaalsContact C-N 3.26Å; A601-R603 PolarHBondContact O-N 3.44Å
602	R	87.6	Confident	71.9	Confident	138 Å²	138	103.5 Å²	103.5	52%	0.521	47%	0.47	S	S	.	.			trans	-79.7	70.5	170.7	-66.8	177.4	170.5	-125.6	-4.8	109.8	K557 E558 E559 W560 K600 Q604	K557-R602 WeakPolarHBondContact O-CD 3.37Å; K557-R602 PolarHBondContact O-NE 3.44Å; K557-R602 PolarHBondContact O-NH1 2.85Å; E558-R602 VanDerWaalsContact O-CB 3.27Å; E558-R602 WeakPolarHBondContact O-CB 3.49Å; E558-R602 WeakPolarHBondContact O-CD 3.22Å; E559-R602 WeakPolarHBondContact O-CB 3.33Å; E559-R602 PolarHBondContact O-N 2.94Å; W560-R602 WeakPolarHBondContact O-CD 3.5Å; W560-R602 PolarHBondContact O-NE 3.5Å; K600-R602 PolarHBondContact O-N 3.31Å; R602-Q604 PolarHBondContact O-N 2.83Å
603	R	72.1	Confident	69.2	Low	133 Å²	133	108.5 Å²	108.5	50%	0.502	53%	0.53	S	S	.	.			trans	-59.6	108.2	173.1	-69.8	-172.1	179	153.3	8.7	109.4	K533 Q534 C535 H536 A601 K605	K533-R603 PolarHBondContact O-NH2 2.89Å; Q534-R603 PolarHBondContact O-NH2 3.47Å; C535-R603 PolarHBondContact O-NH2 3.2Å; C535-R603 VanDerWaalsContact O-NH2 3.09Å; H536-R603 PolarHBondContact CD2-NH1 3.43Å; H536-R603 PolarHBondContact CD2-NH2 3.01Å; H536-R603 PolarHBondContact NE2-NH1 2.89Å; H536-R603 PolarHBondContact NE2-NH2 3.44Å; A601-R603 VanDerWaalsContact C-N 3.26Å; A601-R603 PolarHBondContact O-N 3.44Å; R603-K605 PolarHBondContact O-N 3.36Å
604	Q	55.1	Low	67.9	Low	168 Å²	168	110.5 Å²	110.5	79%	0.785	54%	0.543	S	S	*	.			trans	-52.9	128.2	170.6	-67.9	-173.8	1.5	0	0	108.1	R602 Q606	R602-Q604 PolarHBondContact O-N 2.83Å; Q604-Q606 VanDerWaalsContact C-N 3.33Å; Q604-Q606 PolarHBondContact O-N 3.03Å
605	K	45.8	Very low	66.5	Low	206 Å²	206	113 Å²	113	90%	0.896	56%	0.559	S	S	*	*			trans	-65.8	98.7	169	-75.1	-179.6	178.2	175.2	0	107	R603 P607	R603-K605 PolarHBondContact O-N 3.36Å; K605-P607 WeakPolarHBondContact O-CD 3.49Å; K605-P607 VanDerWaalsContact O-N 3.13Å
606	Q	39.3	Very low	64.9	Low	180 Å²	180	114.2 Å²	114.2	84%	0.841	57%	0.571	S	S	*	*			trans	-50.8	123.7	162	-79.5	-170.6	-11.3	0	0	106.9	Q604 R608	Q604-Q606 VanDerWaalsContact C-N 3.33Å; Q604-Q606 PolarHBondContact O-N 3.03Å; Q606-R608 PolarHBondContact O-N 3.47Å; Q606-R608 VanDerWaalsContact O-N 3.12Å
607	P	37.3	Very low	63	Low	114 Å²	114	120.9 Å²	120.9	74%	0.74	61%	0.605	S	S	*	*			trans	-60.3	124.9	176.8	24.3	-31.9	0	0	0	106.7	K605 K609	K605-P607 WeakPolarHBondContact O-CD 3.49Å; K605-P607 VanDerWaalsContact O-N 3.13Å; P607-K609 PolarHBondContact O-N 2.98Å
608	R	42.4	Very low	60.9	Low	242 Å²	242	128.5 Å²	128.5	91%	0.913	64%	0.642	S	S	*	*			trans	-53.5	106.4	169.3	-94.1	-179.1	162.8	175.3	-6.7	106.4	Q606 R610	Q606-R608 PolarHBondContact O-N 3.47Å; Q606-R608 VanDerWaalsContact O-N 3.12Å; R608-R610 VanDerWaalsContact C-N 3.34Å; R608-R610 PolarHBondContact O-N 2.94Å
609	K	43.2	Very low	58.4	Low	205 Å²	205	137.1 Å²	137.1	89%	0.891	69%	0.685	S	S	*	*			trans	-57	106.1	165.1	-80.2	-171.4	173.8	-176	0	105.6	P607 A611	P607-K609 PolarHBondContact O-N 2.98Å; K609-A611 PolarHBondContact O-N 3.11Å
610	R	43.7	Very low	55.8	Low	204 Å²	204	146.9 Å²	146.9	77%	0.77	73%	0.734	S	S	*	*			trans	-58.6	120.7	164.3	-77.6	179.6	167.6	174	-5.1	105.5	R608 H612	R608-R610 VanDerWaalsContact C-N 3.34Å; R608-R610 PolarHBondContact O-N 2.94Å; R610-H612 PolarHBondContact O-N 2.91Å
611	A	43.2	Very low	52.8	Low	101 Å²	101	155.6 Å²	155.6	84%	0.835	78%	0.78	S	S	*	*			trans	-59.3	120.3	158.2	0	0	0	0	0	106.2	K609	K609-A611 PolarHBondContact O-N 3.11Å
612	H	44.6	Very low	49.4	Very low	166 Å²	166	167 Å²	167	77%	0.769	83%	0.831	S	S	*	*			trans	-113	128.8	172.8	-92.8	-65.7	0	0	0	106.5	R610	R610-H612 PolarHBondContact O-N 2.91Å
613	G	38.8	Very low	45.9	Very low	147 Å²	147	169.6 Å²	169.6	100%	1.515	86%	0.86	S	S	*	*			trans	100.5	0	-164.4	0	0	0	0	0	109.2

Retrieved 613 of 613 residues in 1535.1 ms (Link to these results)

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